USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=22 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 52 SER OG : rot 77:sc= 2.11 USER MOD Set 1.2: A 54 SER OG : rot 103:sc= 1.5 USER MOD Set 1.3: A 57 ASN :FLIP amide:sc= -0.119 F(o=2.8,f=3.5) USER MOD Set 2.1: A 8 SER OG : rot 150:sc= 1.06 USER MOD Set 2.2: A 29 LYS NZ :NH3+ 176:sc= 1.45 (180deg=-0.032) USER MOD Single : A 1 LYS N :NH3+ -108:sc= 0.131 (180deg=-0.0378) USER MOD Single : A 1 LYS NZ :NH3+ -178:sc= 0.225 (180deg=0.213) USER MOD Single : A 4 TYR OH : rot -22:sc= 0.976 USER MOD Single : A 9 LYS NZ :NH3+ 172:sc= 1.01 (180deg=0.947) USER MOD Single : A 11 CYS SG : rot 180:sc= -0.38 USER MOD Single : A 12 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.111) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.043 K(o=-0.043,f=-3!) USER MOD Single : A 19 ASN : amide:sc= -0.333 K(o=-0.33,f=-8.6!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN :FLIP amide:sc= -0.126 F(o=-0.78,f=-0.13) USER MOD Single : A 24 GLN : amide:sc= -0.171 K(o=-0.17,f=-1.3) USER MOD Single : A 26 LYS NZ :NH3+ 179:sc= 1.24 (180deg=1.18) USER MOD Single : A 27 MET CE :methyl -166:sc=-0.00214 (180deg=-0.48) USER MOD Single : A 28 LYS NZ :NH3+ 166:sc= -0.0142 (180deg=-0.206) USER MOD Single : A 31 SER OG : rot 64:sc= 0.045 USER MOD Single : A 34 HIS : no HD1:sc= -0.532 K(o=-0.53,f=-2.1) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 56:sc= 1.82 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.554 K(o=-0.55,f=-7.6!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 118:sc= 0.0705 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 1.016 1.026 1.00 10.00 C ATOM 4 O LYS A 1 1.211 1.891 1.459 1.00 10.00 O ATOM 5 CB LYS A 1 1.989 0.235 -1.414 1.00 10.00 C ATOM 6 CG LYS A 1 1.861 1.707 -1.811 1.00 10.00 C ATOM 7 CD LYS A 1 2.067 1.889 -3.316 1.00 10.00 C ATOM 8 CE LYS A 1 2.267 3.365 -3.668 1.00 10.00 C ATOM 9 NZ LYS A 1 1.288 4.207 -2.945 1.00 10.00 N ATOM 0 H1 LYS A 1 -0.347 -0.876 0.441 1.00 10.00 H new ATOM 0 H2 LYS A 1 -0.347 0.820 0.538 1.00 10.00 H new ATOM 0 H3 LYS A 1 -0.347 0.056 -0.979 1.00 10.00 H new ATOM 0 HA LYS A 1 1.834 -0.976 0.302 1.00 10.00 H new ATOM 0 HB2 LYS A 1 3.034 -0.070 -1.466 1.00 10.00 H new ATOM 0 HB3 LYS A 1 1.440 -0.386 -2.123 1.00 10.00 H new ATOM 0 HG2 LYS A 1 0.877 2.080 -1.527 1.00 10.00 H new ATOM 0 HG3 LYS A 1 2.595 2.300 -1.266 1.00 10.00 H new ATOM 0 HD2 LYS A 1 2.934 1.314 -3.640 1.00 10.00 H new ATOM 0 HD3 LYS A 1 1.204 1.497 -3.855 1.00 10.00 H new ATOM 0 HE2 LYS A 1 3.280 3.672 -3.410 1.00 10.00 H new ATOM 0 HE3 LYS A 1 2.154 3.507 -4.743 1.00 10.00 H new ATOM 0 HZ1 LYS A 1 1.415 5.202 -3.221 1.00 10.00 H new ATOM 0 HZ2 LYS A 1 0.323 3.902 -3.185 1.00 10.00 H new ATOM 0 HZ3 LYS A 1 1.437 4.110 -1.920 1.00 10.00 H new ATOM 22 N ASP A 2 3.225 0.865 1.386 1.00 10.00 N ATOM 23 CA ASP A 2 3.795 1.653 2.466 1.00 10.00 C ATOM 24 C ASP A 2 5.152 2.206 2.027 1.00 10.00 C ATOM 25 O ASP A 2 5.826 1.612 1.187 1.00 10.00 O ATOM 26 CB ASP A 2 4.014 0.797 3.715 1.00 10.00 C ATOM 27 CG ASP A 2 2.785 0.020 4.191 1.00 10.00 C ATOM 28 OD1 ASP A 2 1.644 0.353 3.840 1.00 10.00 O ATOM 29 OD2 ASP A 2 3.039 -0.980 4.965 1.00 10.00 O ATOM 0 H ASP A 2 3.872 0.209 0.949 1.00 10.00 H new ATOM 0 HA ASP A 2 3.100 2.460 2.699 1.00 10.00 H new ATOM 0 HB2 ASP A 2 4.818 0.089 3.515 1.00 10.00 H new ATOM 0 HB3 ASP A 2 4.353 1.443 4.525 1.00 10.00 H new ATOM 35 N GLY A 3 5.513 3.337 2.616 1.00 10.00 N ATOM 36 CA GLY A 3 6.806 3.942 2.345 1.00 10.00 C ATOM 37 C GLY A 3 6.772 5.449 2.610 1.00 10.00 C ATOM 38 O GLY A 3 5.973 5.923 3.416 1.00 10.00 O ATOM 0 H GLY A 3 4.933 3.850 3.280 1.00 10.00 H new ATOM 0 HA2 GLY A 3 7.568 3.476 2.970 1.00 10.00 H new ATOM 0 HA3 GLY A 3 7.088 3.758 1.308 1.00 10.00 H new ATOM 42 N TYR A 4 7.649 6.159 1.916 1.00 10.00 N ATOM 43 CA TYR A 4 7.702 7.606 2.035 1.00 10.00 C ATOM 44 C TYR A 4 7.145 8.281 0.781 1.00 10.00 C ATOM 45 O TYR A 4 7.748 8.206 -0.289 1.00 10.00 O ATOM 46 CB TYR A 4 9.183 7.963 2.177 1.00 10.00 C ATOM 47 CG TYR A 4 9.942 7.088 3.176 1.00 10.00 C ATOM 48 CD1 TYR A 4 9.760 7.272 4.532 1.00 10.00 C ATOM 49 CD2 TYR A 4 10.808 6.114 2.722 1.00 10.00 C ATOM 50 CE1 TYR A 4 10.474 6.449 5.473 1.00 10.00 C ATOM 51 CE2 TYR A 4 11.522 5.290 3.663 1.00 10.00 C ATOM 52 CZ TYR A 4 11.320 5.498 4.992 1.00 10.00 C ATOM 53 OH TYR A 4 11.994 4.720 5.881 1.00 10.00 O ATOM 0 H TYR A 4 8.329 5.759 1.269 1.00 10.00 H new ATOM 0 HA TYR A 4 7.107 7.943 2.884 1.00 10.00 H new ATOM 0 HB2 TYR A 4 9.661 7.880 1.201 1.00 10.00 H new ATOM 0 HB3 TYR A 4 9.267 9.005 2.486 1.00 10.00 H new ATOM 0 HD1 TYR A 4 9.082 8.034 4.887 1.00 10.00 H new ATOM 0 HD2 TYR A 4 10.950 5.970 1.661 1.00 10.00 H new ATOM 0 HE1 TYR A 4 10.341 6.583 6.536 1.00 10.00 H new ATOM 0 HE2 TYR A 4 12.202 4.524 3.321 1.00 10.00 H new ATOM 0 HH TYR A 4 12.041 5.177 6.746 1.00 10.00 H new ATOM 63 N PRO A 5 5.969 8.941 0.958 1.00 10.00 N ATOM 64 CA PRO A 5 5.348 9.670 -0.135 1.00 10.00 C ATOM 65 C PRO A 5 6.085 10.984 -0.406 1.00 10.00 C ATOM 66 O PRO A 5 6.500 11.670 0.526 1.00 10.00 O ATOM 67 CB PRO A 5 3.906 9.877 0.298 1.00 10.00 C ATOM 68 CG PRO A 5 3.890 9.669 1.804 1.00 10.00 C ATOM 69 CD PRO A 5 5.202 9.011 2.198 1.00 10.00 C ATOM 0 HA PRO A 5 5.392 9.128 -1.080 1.00 10.00 H new ATOM 0 HB2 PRO A 5 3.560 10.877 0.038 1.00 10.00 H new ATOM 0 HB3 PRO A 5 3.243 9.170 -0.201 1.00 10.00 H new ATOM 0 HG2 PRO A 5 3.771 10.622 2.320 1.00 10.00 H new ATOM 0 HG3 PRO A 5 3.047 9.042 2.094 1.00 10.00 H new ATOM 0 HD2 PRO A 5 5.726 9.594 2.955 1.00 10.00 H new ATOM 0 HD3 PRO A 5 5.037 8.019 2.618 1.00 10.00 H new ATOM 77 N VAL A 6 6.224 11.293 -1.687 1.00 10.00 N ATOM 78 CA VAL A 6 6.757 12.584 -2.091 1.00 10.00 C ATOM 79 C VAL A 6 5.903 13.149 -3.228 1.00 10.00 C ATOM 80 O VAL A 6 5.639 12.461 -4.213 1.00 10.00 O ATOM 81 CB VAL A 6 8.234 12.447 -2.465 1.00 10.00 C ATOM 82 CG1 VAL A 6 9.041 11.860 -1.304 1.00 10.00 C ATOM 83 CG2 VAL A 6 8.404 11.605 -3.731 1.00 10.00 C ATOM 0 H VAL A 6 5.977 10.673 -2.458 1.00 10.00 H new ATOM 0 HA VAL A 6 6.709 13.293 -1.264 1.00 10.00 H new ATOM 0 HB VAL A 6 8.621 13.445 -2.672 1.00 10.00 H new ATOM 0 HG11 VAL A 6 10.088 11.773 -1.596 1.00 10.00 H new ATOM 0 HG12 VAL A 6 8.959 12.515 -0.436 1.00 10.00 H new ATOM 0 HG13 VAL A 6 8.651 10.874 -1.052 1.00 10.00 H new ATOM 0 HG21 VAL A 6 9.463 11.524 -3.974 1.00 10.00 H new ATOM 0 HG22 VAL A 6 7.993 10.610 -3.564 1.00 10.00 H new ATOM 0 HG23 VAL A 6 7.877 12.081 -4.558 1.00 10.00 H new ATOM 93 N ASP A 7 5.494 14.397 -3.053 1.00 10.00 N ATOM 94 CA ASP A 7 4.684 15.067 -4.057 1.00 10.00 C ATOM 95 C ASP A 7 4.449 16.518 -3.632 1.00 10.00 C ATOM 96 O ASP A 7 5.015 17.439 -4.219 1.00 10.00 O ATOM 97 CB ASP A 7 3.319 14.391 -4.204 1.00 10.00 C ATOM 98 CG ASP A 7 2.815 13.673 -2.950 1.00 10.00 C ATOM 99 OD1 ASP A 7 3.118 14.077 -1.818 1.00 10.00 O ATOM 100 OD2 ASP A 7 2.070 12.644 -3.174 1.00 10.00 O ATOM 0 H ASP A 7 5.708 14.962 -2.231 1.00 10.00 H new ATOM 0 HA ASP A 7 5.216 15.017 -5.007 1.00 10.00 H new ATOM 0 HB2 ASP A 7 2.586 15.145 -4.492 1.00 10.00 H new ATOM 0 HB3 ASP A 7 3.373 13.670 -5.020 1.00 10.00 H new ATOM 106 N SER A 8 3.615 16.675 -2.615 1.00 10.00 N ATOM 107 CA SER A 8 3.167 17.998 -2.213 1.00 10.00 C ATOM 108 C SER A 8 4.223 18.661 -1.327 1.00 10.00 C ATOM 109 O SER A 8 4.378 19.881 -1.347 1.00 10.00 O ATOM 110 CB SER A 8 1.827 17.925 -1.478 1.00 10.00 C ATOM 111 OG SER A 8 1.776 16.831 -0.567 1.00 10.00 O ATOM 0 H SER A 8 3.238 15.909 -2.057 1.00 10.00 H new ATOM 0 HA SER A 8 3.026 18.600 -3.111 1.00 10.00 H new ATOM 0 HB2 SER A 8 1.660 18.856 -0.936 1.00 10.00 H new ATOM 0 HB3 SER A 8 1.020 17.830 -2.204 1.00 10.00 H new ATOM 0 HG SER A 8 1.190 17.058 0.185 1.00 10.00 H new ATOM 117 N LYS A 9 4.922 17.828 -0.570 1.00 10.00 N ATOM 118 CA LYS A 9 5.986 18.314 0.292 1.00 10.00 C ATOM 119 C LYS A 9 7.228 18.606 -0.552 1.00 10.00 C ATOM 120 O LYS A 9 8.074 19.408 -0.161 1.00 10.00 O ATOM 121 CB LYS A 9 6.238 17.331 1.438 1.00 10.00 C ATOM 122 CG LYS A 9 6.881 16.042 0.923 1.00 10.00 C ATOM 123 CD LYS A 9 6.401 14.831 1.726 1.00 10.00 C ATOM 124 CE LYS A 9 5.000 14.402 1.287 1.00 10.00 C ATOM 125 NZ LYS A 9 4.605 13.148 1.967 1.00 10.00 N ATOM 0 H LYS A 9 4.772 16.820 -0.536 1.00 10.00 H new ATOM 0 HA LYS A 9 5.694 19.252 0.765 1.00 10.00 H new ATOM 0 HB2 LYS A 9 6.887 17.793 2.182 1.00 10.00 H new ATOM 0 HB3 LYS A 9 5.297 17.098 1.936 1.00 10.00 H new ATOM 0 HG2 LYS A 9 6.636 15.905 -0.130 1.00 10.00 H new ATOM 0 HG3 LYS A 9 7.966 16.121 0.990 1.00 10.00 H new ATOM 0 HD2 LYS A 9 7.097 14.003 1.593 1.00 10.00 H new ATOM 0 HD3 LYS A 9 6.394 15.074 2.789 1.00 10.00 H new ATOM 0 HE2 LYS A 9 4.283 15.190 1.518 1.00 10.00 H new ATOM 0 HE3 LYS A 9 4.979 14.259 0.207 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 3.606 12.943 1.764 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 5.196 12.365 1.622 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 4.736 13.254 2.993 1.00 10.00 H new ATOM 138 N GLY A 10 7.298 17.939 -1.694 1.00 10.00 N ATOM 139 CA GLY A 10 8.472 18.033 -2.545 1.00 10.00 C ATOM 140 C GLY A 10 9.476 16.926 -2.220 1.00 10.00 C ATOM 141 O GLY A 10 9.625 15.974 -2.984 1.00 10.00 O ATOM 0 H GLY A 10 6.561 17.331 -2.050 1.00 10.00 H new ATOM 0 HA2 GLY A 10 8.174 17.962 -3.591 1.00 10.00 H new ATOM 0 HA3 GLY A 10 8.944 19.007 -2.413 1.00 10.00 H new ATOM 145 N CYS A 11 10.139 17.088 -1.084 1.00 10.00 N ATOM 146 CA CYS A 11 11.227 16.196 -0.719 1.00 10.00 C ATOM 147 C CYS A 11 11.068 15.824 0.757 1.00 10.00 C ATOM 148 O CYS A 11 11.624 16.488 1.631 1.00 10.00 O ATOM 149 CB CYS A 11 12.593 16.821 -1.007 1.00 10.00 C ATOM 150 SG CYS A 11 13.006 16.979 -2.782 1.00 10.00 S ATOM 0 H CYS A 11 9.944 17.823 -0.405 1.00 10.00 H new ATOM 0 HA CYS A 11 11.180 15.293 -1.327 1.00 10.00 H new ATOM 0 HB2 CYS A 11 12.627 17.810 -0.551 1.00 10.00 H new ATOM 0 HB3 CYS A 11 13.362 16.219 -0.522 1.00 10.00 H new ATOM 0 HG CYS A 11 14.181 17.521 -2.908 1.00 10.00 H new ATOM 155 N LYS A 12 10.307 14.765 0.989 1.00 10.00 N ATOM 156 CA LYS A 12 10.300 14.120 2.291 1.00 10.00 C ATOM 157 C LYS A 12 9.572 15.016 3.295 1.00 10.00 C ATOM 158 O LYS A 12 9.513 16.232 3.119 1.00 10.00 O ATOM 159 CB LYS A 12 11.724 13.751 2.714 1.00 10.00 C ATOM 160 CG LYS A 12 11.918 12.234 2.722 1.00 10.00 C ATOM 161 CD LYS A 12 11.988 11.683 1.297 1.00 10.00 C ATOM 162 CE LYS A 12 12.142 10.160 1.304 1.00 10.00 C ATOM 163 NZ LYS A 12 12.060 9.624 -0.073 1.00 10.00 N ATOM 0 H LYS A 12 9.691 14.337 0.298 1.00 10.00 H new ATOM 0 HA LYS A 12 9.752 13.179 2.247 1.00 10.00 H new ATOM 0 HB2 LYS A 12 12.440 14.209 2.032 1.00 10.00 H new ATOM 0 HB3 LYS A 12 11.928 14.152 3.707 1.00 10.00 H new ATOM 0 HG2 LYS A 12 12.834 11.984 3.258 1.00 10.00 H new ATOM 0 HG3 LYS A 12 11.095 11.761 3.258 1.00 10.00 H new ATOM 0 HD2 LYS A 12 11.085 11.958 0.752 1.00 10.00 H new ATOM 0 HD3 LYS A 12 12.828 12.135 0.770 1.00 10.00 H new ATOM 0 HE2 LYS A 12 13.098 9.887 1.750 1.00 10.00 H new ATOM 0 HE3 LYS A 12 11.363 9.713 1.922 1.00 10.00 H new ATOM 0 HZ1 LYS A 12 12.333 8.620 -0.072 1.00 10.00 H new ATOM 0 HZ2 LYS A 12 11.086 9.717 -0.424 1.00 10.00 H new ATOM 0 HZ3 LYS A 12 12.704 10.157 -0.692 1.00 10.00 H new ATOM 176 N LEU A 13 9.037 14.380 4.327 1.00 10.00 N ATOM 177 CA LEU A 13 8.199 15.081 5.285 1.00 10.00 C ATOM 178 C LEU A 13 9.047 15.502 6.487 1.00 10.00 C ATOM 179 O LEU A 13 8.757 16.507 7.135 1.00 10.00 O ATOM 180 CB LEU A 13 6.984 14.230 5.658 1.00 10.00 C ATOM 181 CG LEU A 13 5.812 14.977 6.298 1.00 10.00 C ATOM 182 CD1 LEU A 13 5.037 15.781 5.252 1.00 10.00 C ATOM 183 CD2 LEU A 13 4.905 14.016 7.069 1.00 10.00 C ATOM 0 H LEU A 13 9.168 13.387 4.521 1.00 10.00 H new ATOM 0 HA LEU A 13 7.797 15.993 4.843 1.00 10.00 H new ATOM 0 HB2 LEU A 13 6.624 13.733 4.758 1.00 10.00 H new ATOM 0 HB3 LEU A 13 7.310 13.449 6.345 1.00 10.00 H new ATOM 0 HG LEU A 13 6.214 15.689 7.019 1.00 10.00 H new ATOM 0 HD11 LEU A 13 4.210 16.302 5.733 1.00 10.00 H new ATOM 0 HD12 LEU A 13 5.702 16.508 4.786 1.00 10.00 H new ATOM 0 HD13 LEU A 13 4.647 15.106 4.490 1.00 10.00 H new ATOM 0 HD21 LEU A 13 4.080 14.572 7.514 1.00 10.00 H new ATOM 0 HD22 LEU A 13 4.509 13.263 6.387 1.00 10.00 H new ATOM 0 HD23 LEU A 13 5.479 13.527 7.856 1.00 10.00 H new ATOM 195 N SER A 14 10.078 14.712 6.749 1.00 10.00 N ATOM 196 CA SER A 14 10.915 14.935 7.915 1.00 10.00 C ATOM 197 C SER A 14 10.054 14.958 9.180 1.00 10.00 C ATOM 198 O SER A 14 9.782 16.024 9.730 1.00 10.00 O ATOM 199 CB SER A 14 11.703 16.240 7.786 1.00 10.00 C ATOM 200 OG SER A 14 12.482 16.278 6.593 1.00 10.00 O ATOM 0 H SER A 14 10.353 13.916 6.173 1.00 10.00 H new ATOM 0 HA SER A 14 11.630 14.116 7.984 1.00 10.00 H new ATOM 0 HB2 SER A 14 11.012 17.083 7.795 1.00 10.00 H new ATOM 0 HB3 SER A 14 12.357 16.355 8.650 1.00 10.00 H new ATOM 0 HG SER A 14 12.969 17.127 6.547 1.00 10.00 H new ATOM 206 N CYS A 15 9.651 13.770 9.604 1.00 10.00 N ATOM 207 CA CYS A 15 8.779 13.644 10.760 1.00 10.00 C ATOM 208 C CYS A 15 9.536 14.148 11.990 1.00 10.00 C ATOM 209 O CYS A 15 10.754 13.999 12.078 1.00 10.00 O ATOM 210 CB CYS A 15 8.285 12.207 10.942 1.00 10.00 C ATOM 211 SG CYS A 15 9.610 10.958 11.129 1.00 10.00 S ATOM 0 H CYS A 15 9.912 12.886 9.168 1.00 10.00 H new ATOM 0 HA CYS A 15 7.885 14.250 10.612 1.00 10.00 H new ATOM 0 HB2 CYS A 15 7.641 12.168 11.821 1.00 10.00 H new ATOM 0 HB3 CYS A 15 7.670 11.938 10.084 1.00 10.00 H new ATOM 216 N VAL A 16 8.783 14.733 12.910 1.00 10.00 N ATOM 217 CA VAL A 16 9.352 15.179 14.170 1.00 10.00 C ATOM 218 C VAL A 16 9.041 14.149 15.258 1.00 10.00 C ATOM 219 O VAL A 16 9.731 14.088 16.275 1.00 10.00 O ATOM 220 CB VAL A 16 8.839 16.580 14.509 1.00 10.00 C ATOM 221 CG1 VAL A 16 9.465 17.093 15.808 1.00 10.00 C ATOM 222 CG2 VAL A 16 9.095 17.552 13.356 1.00 10.00 C ATOM 0 H VAL A 16 7.783 14.908 12.808 1.00 10.00 H new ATOM 0 HA VAL A 16 10.437 15.254 14.094 1.00 10.00 H new ATOM 0 HB VAL A 16 7.761 16.515 14.659 1.00 10.00 H new ATOM 0 HG11 VAL A 16 9.084 18.091 16.026 1.00 10.00 H new ATOM 0 HG12 VAL A 16 9.209 16.420 16.626 1.00 10.00 H new ATOM 0 HG13 VAL A 16 10.549 17.135 15.698 1.00 10.00 H new ATOM 0 HG21 VAL A 16 8.721 18.540 13.623 1.00 10.00 H new ATOM 0 HG22 VAL A 16 10.166 17.610 13.160 1.00 10.00 H new ATOM 0 HG23 VAL A 16 8.581 17.199 12.462 1.00 10.00 H new ATOM 232 N ALA A 17 8.003 13.365 15.006 1.00 10.00 N ATOM 233 CA ALA A 17 7.412 12.548 16.052 1.00 10.00 C ATOM 234 C ALA A 17 6.436 11.551 15.424 1.00 10.00 C ATOM 235 O ALA A 17 6.048 11.702 14.267 1.00 10.00 O ATOM 236 CB ALA A 17 6.738 13.451 17.087 1.00 10.00 C ATOM 0 H ALA A 17 7.556 13.278 14.093 1.00 10.00 H new ATOM 0 HA ALA A 17 8.180 11.975 16.571 1.00 10.00 H new ATOM 0 HB1 ALA A 17 6.295 12.838 17.871 1.00 10.00 H new ATOM 0 HB2 ALA A 17 7.479 14.119 17.524 1.00 10.00 H new ATOM 0 HB3 ALA A 17 5.959 14.040 16.603 1.00 10.00 H new ATOM 242 N ASN A 18 6.067 10.554 16.215 1.00 10.00 N ATOM 243 CA ASN A 18 5.258 9.458 15.710 1.00 10.00 C ATOM 244 C ASN A 18 3.863 9.979 15.359 1.00 10.00 C ATOM 245 O ASN A 18 3.329 9.667 14.296 1.00 10.00 O ATOM 246 CB ASN A 18 5.101 8.359 16.763 1.00 10.00 C ATOM 247 CG ASN A 18 6.453 7.729 17.104 1.00 10.00 C ATOM 248 OD1 ASN A 18 7.468 8.001 16.483 1.00 10.00 O ATOM 249 ND2 ASN A 18 6.410 6.874 18.122 1.00 10.00 N ATOM 0 H ASN A 18 6.314 10.482 17.202 1.00 10.00 H new ATOM 0 HA ASN A 18 5.756 9.048 14.832 1.00 10.00 H new ATOM 0 HB2 ASN A 18 4.652 8.776 17.665 1.00 10.00 H new ATOM 0 HB3 ASN A 18 4.421 7.591 16.394 1.00 10.00 H new ATOM 0 HD21 ASN A 18 7.261 6.400 18.426 1.00 10.00 H new ATOM 0 HD22 ASN A 18 5.527 6.692 18.598 1.00 10.00 H new ATOM 256 N ASN A 19 3.312 10.765 16.273 1.00 10.00 N ATOM 257 CA ASN A 19 1.973 11.298 16.093 1.00 10.00 C ATOM 258 C ASN A 19 1.978 12.298 14.934 1.00 10.00 C ATOM 259 O ASN A 19 1.028 12.355 14.155 1.00 10.00 O ATOM 260 CB ASN A 19 1.499 12.033 17.348 1.00 10.00 C ATOM 261 CG ASN A 19 2.481 13.138 17.741 1.00 10.00 C ATOM 262 OD1 ASN A 19 3.685 13.019 17.583 1.00 10.00 O ATOM 263 ND2 ASN A 19 1.902 14.217 18.260 1.00 10.00 N ATOM 0 H ASN A 19 3.769 11.045 17.141 1.00 10.00 H new ATOM 0 HA ASN A 19 1.303 10.463 15.889 1.00 10.00 H new ATOM 0 HB2 ASN A 19 0.513 12.464 17.171 1.00 10.00 H new ATOM 0 HB3 ASN A 19 1.394 11.325 18.170 1.00 10.00 H new ATOM 0 HD21 ASN A 19 2.472 15.010 18.554 1.00 10.00 H new ATOM 0 HD22 ASN A 19 0.888 14.251 18.364 1.00 10.00 H new ATOM 270 N TYR A 20 3.059 13.060 14.857 1.00 10.00 N ATOM 271 CA TYR A 20 3.196 14.061 13.813 1.00 10.00 C ATOM 272 C TYR A 20 3.178 13.414 12.427 1.00 10.00 C ATOM 273 O TYR A 20 2.615 13.969 11.485 1.00 10.00 O ATOM 274 CB TYR A 20 4.558 14.721 14.037 1.00 10.00 C ATOM 275 CG TYR A 20 4.911 15.788 12.999 1.00 10.00 C ATOM 276 CD1 TYR A 20 5.463 15.417 11.789 1.00 10.00 C ATOM 277 CD2 TYR A 20 4.678 17.120 13.272 1.00 10.00 C ATOM 278 CE1 TYR A 20 5.796 16.421 10.812 1.00 10.00 C ATOM 279 CE2 TYR A 20 5.010 18.124 12.294 1.00 10.00 C ATOM 280 CZ TYR A 20 5.553 17.725 11.113 1.00 10.00 C ATOM 281 OH TYR A 20 5.867 18.673 10.190 1.00 10.00 O ATOM 0 H TYR A 20 3.848 13.004 15.501 1.00 10.00 H new ATOM 0 HA TYR A 20 2.373 14.775 13.856 1.00 10.00 H new ATOM 0 HB2 TYR A 20 4.572 15.174 15.028 1.00 10.00 H new ATOM 0 HB3 TYR A 20 5.329 13.951 14.028 1.00 10.00 H new ATOM 0 HD1 TYR A 20 5.645 14.374 11.575 1.00 10.00 H new ATOM 0 HD2 TYR A 20 4.247 17.410 14.219 1.00 10.00 H new ATOM 0 HE1 TYR A 20 6.229 16.145 9.862 1.00 10.00 H new ATOM 0 HE2 TYR A 20 4.832 19.170 12.494 1.00 10.00 H new ATOM 0 HH TYR A 20 5.638 19.559 10.540 1.00 10.00 H new ATOM 291 N CYS A 21 3.802 12.248 12.346 1.00 10.00 N ATOM 292 CA CYS A 21 3.755 11.457 11.127 1.00 10.00 C ATOM 293 C CYS A 21 2.319 10.972 10.924 1.00 10.00 C ATOM 294 O CYS A 21 1.685 11.298 9.922 1.00 10.00 O ATOM 295 CB CYS A 21 4.750 10.295 11.168 1.00 10.00 C ATOM 296 SG CYS A 21 4.525 9.046 9.850 1.00 10.00 S ATOM 0 H CYS A 21 4.343 11.832 13.104 1.00 10.00 H new ATOM 0 HA CYS A 21 4.052 12.074 10.279 1.00 10.00 H new ATOM 0 HB2 CYS A 21 5.761 10.698 11.099 1.00 10.00 H new ATOM 0 HB3 CYS A 21 4.670 9.800 12.136 1.00 10.00 H new ATOM 301 N ASP A 22 1.847 10.200 11.892 1.00 10.00 N ATOM 302 CA ASP A 22 0.666 9.378 11.686 1.00 10.00 C ATOM 303 C ASP A 22 -0.504 10.271 11.268 1.00 10.00 C ATOM 304 O ASP A 22 -1.207 9.968 10.305 1.00 10.00 O ATOM 305 CB ASP A 22 0.270 8.650 12.972 1.00 10.00 C ATOM 306 CG ASP A 22 -0.832 7.602 12.808 1.00 10.00 C ATOM 307 OD1 ASP A 22 -0.832 6.820 11.845 1.00 10.00 O ATOM 308 OD2 ASP A 22 -1.732 7.607 13.733 1.00 10.00 O ATOM 0 H ASP A 22 2.261 10.126 12.821 1.00 10.00 H new ATOM 0 HA ASP A 22 0.896 8.644 10.913 1.00 10.00 H new ATOM 0 HB2 ASP A 22 1.155 8.164 13.384 1.00 10.00 H new ATOM 0 HB3 ASP A 22 -0.058 9.389 13.704 1.00 10.00 H new ATOM 314 N ASN A 23 -0.677 11.353 12.012 1.00 10.00 N ATOM 315 CA ASN A 23 -1.839 12.206 11.834 1.00 10.00 C ATOM 316 C ASN A 23 -1.769 12.876 10.460 1.00 10.00 C ATOM 317 O ASN A 23 -2.799 13.192 9.867 1.00 10.00 O ATOM 318 CB ASN A 23 -1.882 13.307 12.895 1.00 10.00 C ATOM 319 CG ASN A 23 -0.995 14.488 12.496 1.00 10.00 C ATOM 320 OD1 ASN A 23 -1.646 15.468 11.875 1.00 10.00 O flip ATOM 321 ND2 ASN A 23 0.201 14.509 12.736 1.00 10.00 N flip ATOM 0 H ASN A 23 -0.031 11.659 12.740 1.00 10.00 H new ATOM 0 HA ASN A 23 -2.730 11.585 11.923 1.00 10.00 H new ATOM 0 HB2 ASN A 23 -2.909 13.648 13.029 1.00 10.00 H new ATOM 0 HB3 ASN A 23 -1.551 12.907 13.853 1.00 10.00 H new ATOM 0 HD21 ASN A 23 0.639 13.723 13.216 1.00 10.00 H new ATOM 0 HD22 ASN A 23 0.763 15.313 12.456 1.00 10.00 H new ATOM 328 N GLN A 24 -0.545 13.073 9.995 1.00 10.00 N ATOM 329 CA GLN A 24 -0.322 13.805 8.760 1.00 10.00 C ATOM 330 C GLN A 24 -0.417 12.861 7.559 1.00 10.00 C ATOM 331 O GLN A 24 -0.757 13.287 6.456 1.00 10.00 O ATOM 332 CB GLN A 24 1.027 14.525 8.785 1.00 10.00 C ATOM 333 CG GLN A 24 1.146 15.509 7.619 1.00 10.00 C ATOM 334 CD GLN A 24 2.217 16.565 7.900 1.00 10.00 C ATOM 335 OE1 GLN A 24 3.037 16.433 8.792 1.00 10.00 O ATOM 336 NE2 GLN A 24 2.162 17.619 7.090 1.00 10.00 N ATOM 0 H GLN A 24 0.304 12.738 10.451 1.00 10.00 H new ATOM 0 HA GLN A 24 -1.099 14.563 8.665 1.00 10.00 H new ATOM 0 HB2 GLN A 24 1.141 15.059 9.729 1.00 10.00 H new ATOM 0 HB3 GLN A 24 1.834 13.794 8.733 1.00 10.00 H new ATOM 0 HG2 GLN A 24 1.394 14.968 6.706 1.00 10.00 H new ATOM 0 HG3 GLN A 24 0.186 15.996 7.450 1.00 10.00 H new ATOM 0 HE21 GLN A 24 1.449 17.666 6.362 1.00 10.00 H new ATOM 0 HE22 GLN A 24 2.833 18.380 7.197 1.00 10.00 H new ATOM 345 N CYS A 25 -0.111 11.598 7.814 1.00 10.00 N ATOM 346 CA CYS A 25 -0.292 10.566 6.807 1.00 10.00 C ATOM 347 C CYS A 25 -1.790 10.288 6.668 1.00 10.00 C ATOM 348 O CYS A 25 -2.324 10.286 5.560 1.00 10.00 O ATOM 349 CB CYS A 25 0.493 9.298 7.149 1.00 10.00 C ATOM 350 SG CYS A 25 2.311 9.505 7.174 1.00 10.00 S ATOM 0 H CYS A 25 0.261 11.265 8.703 1.00 10.00 H new ATOM 0 HA CYS A 25 0.103 10.913 5.852 1.00 10.00 H new ATOM 0 HB2 CYS A 25 0.169 8.939 8.126 1.00 10.00 H new ATOM 0 HB3 CYS A 25 0.239 8.524 6.425 1.00 10.00 H new ATOM 355 N LYS A 26 -2.426 10.061 7.808 1.00 10.00 N ATOM 356 CA LYS A 26 -3.766 9.500 7.818 1.00 10.00 C ATOM 357 C LYS A 26 -4.780 10.603 7.508 1.00 10.00 C ATOM 358 O LYS A 26 -5.962 10.327 7.311 1.00 10.00 O ATOM 359 CB LYS A 26 -4.033 8.774 9.139 1.00 10.00 C ATOM 360 CG LYS A 26 -4.470 9.758 10.226 1.00 10.00 C ATOM 361 CD LYS A 26 -4.109 9.233 11.617 1.00 10.00 C ATOM 362 CE LYS A 26 -4.738 7.860 11.866 1.00 10.00 C ATOM 363 NZ LYS A 26 -4.465 7.408 13.248 1.00 10.00 N ATOM 0 H LYS A 26 -2.038 10.255 8.731 1.00 10.00 H new ATOM 0 HA LYS A 26 -3.868 8.745 7.038 1.00 10.00 H new ATOM 0 HB2 LYS A 26 -4.806 8.020 8.994 1.00 10.00 H new ATOM 0 HB3 LYS A 26 -3.132 8.250 9.459 1.00 10.00 H new ATOM 0 HG2 LYS A 26 -3.991 10.723 10.062 1.00 10.00 H new ATOM 0 HG3 LYS A 26 -5.546 9.921 10.163 1.00 10.00 H new ATOM 0 HD2 LYS A 26 -3.025 9.163 11.713 1.00 10.00 H new ATOM 0 HD3 LYS A 26 -4.452 9.937 12.375 1.00 10.00 H new ATOM 0 HE2 LYS A 26 -5.814 7.911 11.700 1.00 10.00 H new ATOM 0 HE3 LYS A 26 -4.339 7.136 11.155 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 -4.913 6.483 13.406 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 -3.438 7.324 13.389 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 -4.852 8.099 13.922 1.00 10.00 H new ATOM 376 N MET A 27 -4.279 11.829 7.472 1.00 10.00 N ATOM 377 CA MET A 27 -5.078 12.951 7.008 1.00 10.00 C ATOM 378 C MET A 27 -5.666 12.669 5.624 1.00 10.00 C ATOM 379 O MET A 27 -6.823 12.992 5.360 1.00 10.00 O ATOM 380 CB MET A 27 -4.207 14.207 6.947 1.00 10.00 C ATOM 381 CG MET A 27 -5.068 15.464 6.796 1.00 10.00 C ATOM 382 SD MET A 27 -4.109 16.775 6.058 1.00 10.00 S ATOM 383 CE MET A 27 -2.805 16.926 7.268 1.00 10.00 C ATOM 0 H MET A 27 -3.330 12.070 7.757 1.00 10.00 H new ATOM 0 HA MET A 27 -5.900 13.102 7.708 1.00 10.00 H new ATOM 0 HB2 MET A 27 -3.605 14.281 7.853 1.00 10.00 H new ATOM 0 HB3 MET A 27 -3.514 14.133 6.109 1.00 10.00 H new ATOM 0 HG2 MET A 27 -5.939 15.246 6.177 1.00 10.00 H new ATOM 0 HG3 MET A 27 -5.440 15.779 7.771 1.00 10.00 H new ATOM 0 HE1 MET A 27 -2.259 17.854 7.100 1.00 10.00 H new ATOM 0 HE2 MET A 27 -3.237 16.935 8.269 1.00 10.00 H new ATOM 0 HE3 MET A 27 -2.122 16.081 7.175 1.00 10.00 H new ATOM 393 N LYS A 28 -4.842 12.070 4.777 1.00 10.00 N ATOM 394 CA LYS A 28 -5.042 12.171 3.341 1.00 10.00 C ATOM 395 C LYS A 28 -4.202 11.103 2.638 1.00 10.00 C ATOM 396 O LYS A 28 -4.723 10.325 1.839 1.00 10.00 O ATOM 397 CB LYS A 28 -4.754 13.595 2.860 1.00 10.00 C ATOM 398 CG LYS A 28 -5.015 13.729 1.358 1.00 10.00 C ATOM 399 CD LYS A 28 -3.703 13.720 0.571 1.00 10.00 C ATOM 400 CE LYS A 28 -3.962 13.887 -0.928 1.00 10.00 C ATOM 401 NZ LYS A 28 -4.488 15.240 -1.215 1.00 10.00 N ATOM 0 H LYS A 28 -4.035 11.513 5.057 1.00 10.00 H new ATOM 0 HA LYS A 28 -6.084 11.977 3.086 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -5.380 14.301 3.406 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -3.718 13.854 3.077 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -5.651 12.910 1.021 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -5.556 14.655 1.160 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -3.057 14.524 0.924 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -3.174 12.784 0.750 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -3.038 13.724 -1.483 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -4.674 13.134 -1.266 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -4.436 15.423 -2.237 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -5.478 15.301 -0.903 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -3.920 15.948 -0.707 1.00 10.00 H new ATOM 414 N LYS A 29 -2.917 11.099 2.959 1.00 10.00 N ATOM 415 CA LYS A 29 -1.947 10.372 2.157 1.00 10.00 C ATOM 416 C LYS A 29 -2.256 8.875 2.225 1.00 10.00 C ATOM 417 O LYS A 29 -2.216 8.183 1.209 1.00 10.00 O ATOM 418 CB LYS A 29 -0.522 10.726 2.588 1.00 10.00 C ATOM 419 CG LYS A 29 -0.252 12.222 2.411 1.00 10.00 C ATOM 420 CD LYS A 29 0.088 12.549 0.955 1.00 10.00 C ATOM 421 CE LYS A 29 0.477 14.020 0.800 1.00 10.00 C ATOM 422 NZ LYS A 29 0.586 14.379 -0.632 1.00 10.00 N ATOM 0 H LYS A 29 -2.524 11.588 3.764 1.00 10.00 H new ATOM 0 HA LYS A 29 -2.021 10.666 1.110 1.00 10.00 H new ATOM 0 HB2 LYS A 29 -0.374 10.447 3.631 1.00 10.00 H new ATOM 0 HB3 LYS A 29 0.193 10.151 1.999 1.00 10.00 H new ATOM 0 HG2 LYS A 29 -1.128 12.792 2.721 1.00 10.00 H new ATOM 0 HG3 LYS A 29 0.571 12.526 3.058 1.00 10.00 H new ATOM 0 HD2 LYS A 29 0.908 11.915 0.618 1.00 10.00 H new ATOM 0 HD3 LYS A 29 -0.769 12.327 0.319 1.00 10.00 H new ATOM 0 HE2 LYS A 29 -0.268 14.652 1.284 1.00 10.00 H new ATOM 0 HE3 LYS A 29 1.427 14.206 1.301 1.00 10.00 H new ATOM 0 HZ1 LYS A 29 0.784 15.396 -0.721 1.00 10.00 H new ATOM 0 HZ2 LYS A 29 1.359 13.836 -1.068 1.00 10.00 H new ATOM 0 HZ3 LYS A 29 -0.308 14.157 -1.115 1.00 10.00 H new ATOM 435 N ALA A 30 -2.555 8.419 3.433 1.00 10.00 N ATOM 436 CA ALA A 30 -2.471 7.001 3.740 1.00 10.00 C ATOM 437 C ALA A 30 -3.534 6.645 4.781 1.00 10.00 C ATOM 438 O ALA A 30 -4.359 7.483 5.142 1.00 10.00 O ATOM 439 CB ALA A 30 -1.055 6.665 4.213 1.00 10.00 C ATOM 0 H ALA A 30 -2.856 9.007 4.211 1.00 10.00 H new ATOM 0 HA ALA A 30 -2.668 6.403 2.850 1.00 10.00 H new ATOM 0 HB1 ALA A 30 -0.991 5.602 4.444 1.00 10.00 H new ATOM 0 HB2 ALA A 30 -0.341 6.909 3.426 1.00 10.00 H new ATOM 0 HB3 ALA A 30 -0.823 7.244 5.107 1.00 10.00 H new ATOM 445 N SER A 31 -3.479 5.401 5.233 1.00 10.00 N ATOM 446 CA SER A 31 -4.355 4.955 6.303 1.00 10.00 C ATOM 447 C SER A 31 -3.706 5.230 7.661 1.00 10.00 C ATOM 448 O SER A 31 -4.397 5.514 8.638 1.00 10.00 O ATOM 449 CB SER A 31 -4.682 3.467 6.163 1.00 10.00 C ATOM 450 OG SER A 31 -5.235 3.160 4.887 1.00 10.00 O ATOM 0 H SER A 31 -2.842 4.688 4.878 1.00 10.00 H new ATOM 0 HA SER A 31 -5.289 5.513 6.235 1.00 10.00 H new ATOM 0 HB2 SER A 31 -3.776 2.881 6.316 1.00 10.00 H new ATOM 0 HB3 SER A 31 -5.386 3.176 6.943 1.00 10.00 H new ATOM 0 HG SER A 31 -4.573 3.348 4.190 1.00 10.00 H new ATOM 456 N GLY A 32 -2.384 5.137 7.678 1.00 10.00 N ATOM 457 CA GLY A 32 -1.631 5.403 8.892 1.00 10.00 C ATOM 458 C GLY A 32 -0.207 5.856 8.566 1.00 10.00 C ATOM 459 O GLY A 32 0.102 6.166 7.416 1.00 10.00 O ATOM 0 H GLY A 32 -1.815 4.881 6.871 1.00 10.00 H new ATOM 0 HA2 GLY A 32 -2.136 6.172 9.476 1.00 10.00 H new ATOM 0 HA3 GLY A 32 -1.598 4.504 9.508 1.00 10.00 H new ATOM 463 N GLY A 33 0.624 5.881 9.598 1.00 10.00 N ATOM 464 CA GLY A 33 2.046 6.107 9.409 1.00 10.00 C ATOM 465 C GLY A 33 2.800 5.996 10.736 1.00 10.00 C ATOM 466 O GLY A 33 2.192 6.028 11.804 1.00 10.00 O ATOM 0 H GLY A 33 0.339 5.748 10.568 1.00 10.00 H new ATOM 0 HA2 GLY A 33 2.442 5.380 8.700 1.00 10.00 H new ATOM 0 HA3 GLY A 33 2.207 7.095 8.977 1.00 10.00 H new ATOM 470 N HIS A 34 4.114 5.867 10.624 1.00 10.00 N ATOM 471 CA HIS A 34 4.979 5.980 11.786 1.00 10.00 C ATOM 472 C HIS A 34 6.263 6.717 11.401 1.00 10.00 C ATOM 473 O HIS A 34 6.643 6.739 10.231 1.00 10.00 O ATOM 474 CB HIS A 34 5.246 4.605 12.400 1.00 10.00 C ATOM 475 CG HIS A 34 5.863 4.656 13.778 1.00 10.00 C ATOM 476 ND1 HIS A 34 7.209 4.901 13.987 1.00 10.00 N ATOM 477 CD2 HIS A 34 5.305 4.493 15.011 1.00 10.00 C ATOM 478 CE1 HIS A 34 7.439 4.883 15.292 1.00 10.00 C ATOM 479 NE2 HIS A 34 6.258 4.630 15.925 1.00 10.00 N ATOM 0 H HIS A 34 4.601 5.685 9.746 1.00 10.00 H new ATOM 0 HA HIS A 34 4.482 6.568 12.558 1.00 10.00 H new ATOM 0 HB2 HIS A 34 4.307 4.054 12.454 1.00 10.00 H new ATOM 0 HB3 HIS A 34 5.907 4.045 11.738 1.00 10.00 H new ATOM 0 HD2 HIS A 34 4.264 4.287 15.211 1.00 10.00 H new ATOM 0 HE1 HIS A 34 8.394 5.041 15.770 1.00 10.00 H new ATOM 0 HE2 HIS A 34 6.128 4.558 16.934 1.00 10.00 H new ATOM 487 N CYS A 35 6.896 7.302 12.407 1.00 10.00 N ATOM 488 CA CYS A 35 8.031 8.178 12.169 1.00 10.00 C ATOM 489 C CYS A 35 9.297 7.320 12.114 1.00 10.00 C ATOM 490 O CYS A 35 9.703 6.742 13.121 1.00 10.00 O ATOM 491 CB CYS A 35 8.131 9.275 13.230 1.00 10.00 C ATOM 492 SG CYS A 35 9.572 10.389 13.050 1.00 10.00 S ATOM 0 H CYS A 35 6.645 7.187 13.389 1.00 10.00 H new ATOM 0 HA CYS A 35 7.902 8.694 11.218 1.00 10.00 H new ATOM 0 HB2 CYS A 35 7.221 9.874 13.200 1.00 10.00 H new ATOM 0 HB3 CYS A 35 8.172 8.807 14.213 1.00 10.00 H new ATOM 497 N TYR A 36 9.884 7.264 10.928 1.00 10.00 N ATOM 498 CA TYR A 36 11.203 6.675 10.773 1.00 10.00 C ATOM 499 C TYR A 36 12.274 7.758 10.628 1.00 10.00 C ATOM 500 O TYR A 36 11.962 8.907 10.319 1.00 10.00 O ATOM 501 CB TYR A 36 11.149 5.852 9.485 1.00 10.00 C ATOM 502 CG TYR A 36 12.161 4.706 9.435 1.00 10.00 C ATOM 503 CD1 TYR A 36 12.030 3.631 10.291 1.00 10.00 C ATOM 504 CD2 TYR A 36 13.206 4.746 8.535 1.00 10.00 C ATOM 505 CE1 TYR A 36 12.983 2.552 10.245 1.00 10.00 C ATOM 506 CE2 TYR A 36 14.159 3.668 8.488 1.00 10.00 C ATOM 507 CZ TYR A 36 14.000 2.624 9.346 1.00 10.00 C ATOM 508 OH TYR A 36 14.900 1.605 9.302 1.00 10.00 O ATOM 0 H TYR A 36 9.470 7.617 10.065 1.00 10.00 H new ATOM 0 HA TYR A 36 11.458 6.072 11.644 1.00 10.00 H new ATOM 0 HB2 TYR A 36 10.146 5.442 9.370 1.00 10.00 H new ATOM 0 HB3 TYR A 36 11.322 6.513 8.636 1.00 10.00 H new ATOM 0 HD1 TYR A 36 11.212 3.599 10.996 1.00 10.00 H new ATOM 0 HD2 TYR A 36 13.309 5.587 7.865 1.00 10.00 H new ATOM 0 HE1 TYR A 36 12.892 1.705 10.909 1.00 10.00 H new ATOM 0 HE2 TYR A 36 14.981 3.687 7.788 1.00 10.00 H new ATOM 0 HH TYR A 36 15.571 1.790 8.612 1.00 10.00 H new ATOM 518 N ALA A 37 13.514 7.353 10.857 1.00 10.00 N ATOM 519 CA ALA A 37 14.606 8.307 10.956 1.00 10.00 C ATOM 520 C ALA A 37 14.664 9.144 9.677 1.00 10.00 C ATOM 521 O ALA A 37 14.992 10.329 9.721 1.00 10.00 O ATOM 522 CB ALA A 37 15.914 7.560 11.223 1.00 10.00 C ATOM 0 H ALA A 37 13.787 6.378 10.977 1.00 10.00 H new ATOM 0 HA ALA A 37 14.444 8.990 11.790 1.00 10.00 H new ATOM 0 HB1 ALA A 37 16.733 8.275 11.297 1.00 10.00 H new ATOM 0 HB2 ALA A 37 15.832 7.005 12.157 1.00 10.00 H new ATOM 0 HB3 ALA A 37 16.111 6.867 10.405 1.00 10.00 H new ATOM 528 N MET A 38 14.340 8.496 8.568 1.00 10.00 N ATOM 529 CA MET A 38 14.397 9.152 7.273 1.00 10.00 C ATOM 530 C MET A 38 13.257 10.161 7.119 1.00 10.00 C ATOM 531 O MET A 38 13.477 11.290 6.684 1.00 10.00 O ATOM 532 CB MET A 38 14.304 8.103 6.164 1.00 10.00 C ATOM 533 CG MET A 38 15.528 7.185 6.173 1.00 10.00 C ATOM 534 SD MET A 38 16.950 8.057 5.539 1.00 10.00 S ATOM 535 CE MET A 38 18.252 6.960 6.077 1.00 10.00 C ATOM 0 H MET A 38 14.037 7.523 8.540 1.00 10.00 H new ATOM 0 HA MET A 38 15.344 9.687 7.200 1.00 10.00 H new ATOM 0 HB2 MET A 38 13.399 7.510 6.295 1.00 10.00 H new ATOM 0 HB3 MET A 38 14.223 8.598 5.196 1.00 10.00 H new ATOM 0 HG2 MET A 38 15.726 6.839 7.188 1.00 10.00 H new ATOM 0 HG3 MET A 38 15.334 6.300 5.567 1.00 10.00 H new ATOM 0 HE1 MET A 38 19.217 7.358 5.761 1.00 10.00 H new ATOM 0 HE2 MET A 38 18.232 6.877 7.164 1.00 10.00 H new ATOM 0 HE3 MET A 38 18.104 5.975 5.635 1.00 10.00 H new ATOM 545 N SER A 39 12.063 9.717 7.484 1.00 10.00 N ATOM 546 CA SER A 39 10.880 10.547 7.340 1.00 10.00 C ATOM 547 C SER A 39 9.637 9.767 7.775 1.00 10.00 C ATOM 548 O SER A 39 9.737 8.612 8.184 1.00 10.00 O ATOM 549 CB SER A 39 10.722 11.035 5.898 1.00 10.00 C ATOM 550 OG SER A 39 11.192 12.371 5.733 1.00 10.00 O ATOM 0 H SER A 39 11.890 8.793 7.879 1.00 10.00 H new ATOM 0 HA SER A 39 10.996 11.421 7.981 1.00 10.00 H new ATOM 0 HB2 SER A 39 11.270 10.372 5.229 1.00 10.00 H new ATOM 0 HB3 SER A 39 9.672 10.982 5.610 1.00 10.00 H new ATOM 0 HG SER A 39 12.126 12.428 6.025 1.00 10.00 H new ATOM 556 N CYS A 40 8.495 10.431 7.672 1.00 10.00 N ATOM 557 CA CYS A 40 7.225 9.783 7.951 1.00 10.00 C ATOM 558 C CYS A 40 7.076 8.591 7.003 1.00 10.00 C ATOM 559 O CYS A 40 6.840 8.769 5.809 1.00 10.00 O ATOM 560 CB CYS A 40 6.053 10.759 7.829 1.00 10.00 C ATOM 561 SG CYS A 40 4.403 10.014 8.100 1.00 10.00 S ATOM 0 H CYS A 40 8.423 11.411 7.399 1.00 10.00 H new ATOM 0 HA CYS A 40 7.212 9.430 8.982 1.00 10.00 H new ATOM 0 HB2 CYS A 40 6.194 11.566 8.548 1.00 10.00 H new ATOM 0 HB3 CYS A 40 6.075 11.209 6.836 1.00 10.00 H new ATOM 566 N TYR A 41 7.219 7.402 7.570 1.00 10.00 N ATOM 567 CA TYR A 41 6.867 6.186 6.859 1.00 10.00 C ATOM 568 C TYR A 41 5.355 5.952 6.888 1.00 10.00 C ATOM 569 O TYR A 41 4.825 5.416 7.860 1.00 10.00 O ATOM 570 CB TYR A 41 7.562 5.045 7.604 1.00 10.00 C ATOM 571 CG TYR A 41 7.362 3.670 6.963 1.00 10.00 C ATOM 572 CD1 TYR A 41 8.102 3.311 5.855 1.00 10.00 C ATOM 573 CD2 TYR A 41 6.442 2.789 7.493 1.00 10.00 C ATOM 574 CE1 TYR A 41 7.914 2.017 5.252 1.00 10.00 C ATOM 575 CE2 TYR A 41 6.253 1.495 6.890 1.00 10.00 C ATOM 576 CZ TYR A 41 6.999 1.173 5.800 1.00 10.00 C ATOM 577 OH TYR A 41 6.821 -0.050 5.230 1.00 10.00 O ATOM 0 H TYR A 41 7.574 7.255 8.515 1.00 10.00 H new ATOM 0 HA TYR A 41 7.173 6.250 5.815 1.00 10.00 H new ATOM 0 HB2 TYR A 41 8.630 5.257 7.658 1.00 10.00 H new ATOM 0 HB3 TYR A 41 7.191 5.014 8.628 1.00 10.00 H new ATOM 0 HD1 TYR A 41 8.822 4.001 5.440 1.00 10.00 H new ATOM 0 HD2 TYR A 41 5.863 3.070 8.361 1.00 10.00 H new ATOM 0 HE1 TYR A 41 8.486 1.723 4.385 1.00 10.00 H new ATOM 0 HE2 TYR A 41 5.535 0.797 7.294 1.00 10.00 H new ATOM 0 HH TYR A 41 6.137 -0.546 5.727 1.00 10.00 H new ATOM 587 N CYS A 42 4.704 6.365 5.811 1.00 10.00 N ATOM 588 CA CYS A 42 3.251 6.352 5.764 1.00 10.00 C ATOM 589 C CYS A 42 2.797 4.958 5.325 1.00 10.00 C ATOM 590 O CYS A 42 3.544 4.237 4.666 1.00 10.00 O ATOM 591 CB CYS A 42 2.705 7.446 4.844 1.00 10.00 C ATOM 592 SG CYS A 42 3.051 9.156 5.396 1.00 10.00 S ATOM 0 H CYS A 42 5.155 6.711 4.964 1.00 10.00 H new ATOM 0 HA CYS A 42 2.851 6.568 6.754 1.00 10.00 H new ATOM 0 HB2 CYS A 42 3.127 7.308 3.849 1.00 10.00 H new ATOM 0 HB3 CYS A 42 1.626 7.320 4.753 1.00 10.00 H new ATOM 597 N GLU A 43 1.575 4.621 5.710 1.00 10.00 N ATOM 598 CA GLU A 43 1.145 3.233 5.706 1.00 10.00 C ATOM 599 C GLU A 43 -0.239 3.107 5.066 1.00 10.00 C ATOM 600 O GLU A 43 -1.202 3.709 5.539 1.00 10.00 O ATOM 601 CB GLU A 43 1.150 2.654 7.122 1.00 10.00 C ATOM 602 CG GLU A 43 1.628 1.200 7.118 1.00 10.00 C ATOM 603 CD GLU A 43 1.605 0.612 8.530 1.00 10.00 C ATOM 604 OE1 GLU A 43 2.634 0.622 9.222 1.00 10.00 O ATOM 605 OE2 GLU A 43 0.467 0.133 8.904 1.00 10.00 O ATOM 0 H GLU A 43 0.869 5.285 6.027 1.00 10.00 H new ATOM 0 HA GLU A 43 1.852 2.656 5.110 1.00 10.00 H new ATOM 0 HB2 GLU A 43 1.799 3.252 7.761 1.00 10.00 H new ATOM 0 HB3 GLU A 43 0.147 2.710 7.545 1.00 10.00 H new ATOM 0 HG2 GLU A 43 0.991 0.606 6.462 1.00 10.00 H new ATOM 0 HG3 GLU A 43 2.639 1.147 6.714 1.00 10.00 H new ATOM 613 N GLY A 44 -0.294 2.322 4.000 1.00 10.00 N ATOM 614 CA GLY A 44 -1.559 2.037 3.346 1.00 10.00 C ATOM 615 C GLY A 44 -1.966 3.181 2.415 1.00 10.00 C ATOM 616 O GLY A 44 -2.949 3.875 2.671 1.00 10.00 O ATOM 0 H GLY A 44 0.517 1.875 3.573 1.00 10.00 H new ATOM 0 HA2 GLY A 44 -1.477 1.111 2.776 1.00 10.00 H new ATOM 0 HA3 GLY A 44 -2.334 1.882 4.097 1.00 10.00 H new ATOM 620 N LEU A 45 -1.190 3.342 1.353 1.00 10.00 N ATOM 621 CA LEU A 45 -1.495 4.346 0.348 1.00 10.00 C ATOM 622 C LEU A 45 -2.274 3.695 -0.797 1.00 10.00 C ATOM 623 O LEU A 45 -2.221 2.480 -0.976 1.00 10.00 O ATOM 624 CB LEU A 45 -0.218 5.057 -0.103 1.00 10.00 C ATOM 625 CG LEU A 45 0.428 5.991 0.922 1.00 10.00 C ATOM 626 CD1 LEU A 45 1.455 5.243 1.775 1.00 10.00 C ATOM 627 CD2 LEU A 45 1.036 7.218 0.240 1.00 10.00 C ATOM 0 H LEU A 45 -0.350 2.794 1.167 1.00 10.00 H new ATOM 0 HA LEU A 45 -2.134 5.123 0.767 1.00 10.00 H new ATOM 0 HB2 LEU A 45 0.514 4.301 -0.388 1.00 10.00 H new ATOM 0 HB3 LEU A 45 -0.445 5.635 -0.999 1.00 10.00 H new ATOM 0 HG LEU A 45 -0.351 6.349 1.595 1.00 10.00 H new ATOM 0 HD11 LEU A 45 1.899 5.930 2.495 1.00 10.00 H new ATOM 0 HD12 LEU A 45 0.963 4.428 2.306 1.00 10.00 H new ATOM 0 HD13 LEU A 45 2.236 4.837 1.132 1.00 10.00 H new ATOM 0 HD21 LEU A 45 1.488 7.865 0.991 1.00 10.00 H new ATOM 0 HD22 LEU A 45 1.798 6.899 -0.471 1.00 10.00 H new ATOM 0 HD23 LEU A 45 0.255 7.766 -0.287 1.00 10.00 H new ATOM 639 N PRO A 46 -2.998 4.556 -1.561 1.00 10.00 N ATOM 640 CA PRO A 46 -3.423 4.190 -2.901 1.00 10.00 C ATOM 641 C PRO A 46 -2.252 4.249 -3.884 1.00 10.00 C ATOM 642 O PRO A 46 -1.294 4.991 -3.669 1.00 10.00 O ATOM 643 CB PRO A 46 -4.534 5.170 -3.242 1.00 10.00 C ATOM 644 CG PRO A 46 -4.375 6.333 -2.277 1.00 10.00 C ATOM 645 CD PRO A 46 -3.429 5.895 -1.171 1.00 10.00 C ATOM 0 HA PRO A 46 -3.782 3.163 -2.962 1.00 10.00 H new ATOM 0 HB2 PRO A 46 -4.454 5.507 -4.276 1.00 10.00 H new ATOM 0 HB3 PRO A 46 -5.513 4.704 -3.133 1.00 10.00 H new ATOM 0 HG2 PRO A 46 -3.979 7.207 -2.794 1.00 10.00 H new ATOM 0 HG3 PRO A 46 -5.341 6.619 -1.862 1.00 10.00 H new ATOM 0 HD2 PRO A 46 -2.581 6.574 -1.083 1.00 10.00 H new ATOM 0 HD3 PRO A 46 -3.930 5.884 -0.203 1.00 10.00 H new ATOM 653 N GLU A 47 -2.366 3.457 -4.940 1.00 10.00 N ATOM 654 CA GLU A 47 -1.210 3.124 -5.754 1.00 10.00 C ATOM 655 C GLU A 47 -0.688 4.371 -6.471 1.00 10.00 C ATOM 656 O GLU A 47 0.479 4.428 -6.854 1.00 10.00 O ATOM 657 CB GLU A 47 -1.545 2.016 -6.754 1.00 10.00 C ATOM 658 CG GLU A 47 -2.438 2.544 -7.879 1.00 10.00 C ATOM 659 CD GLU A 47 -2.963 1.399 -8.746 1.00 10.00 C ATOM 660 OE1 GLU A 47 -2.436 1.160 -9.843 1.00 10.00 O ATOM 661 OE2 GLU A 47 -3.955 0.744 -8.243 1.00 10.00 O ATOM 0 H GLU A 47 -3.242 3.036 -5.251 1.00 10.00 H new ATOM 0 HA GLU A 47 -0.424 2.751 -5.098 1.00 10.00 H new ATOM 0 HB2 GLU A 47 -0.625 1.611 -7.175 1.00 10.00 H new ATOM 0 HB3 GLU A 47 -2.048 1.197 -6.240 1.00 10.00 H new ATOM 0 HG2 GLU A 47 -3.276 3.097 -7.454 1.00 10.00 H new ATOM 0 HG3 GLU A 47 -1.875 3.244 -8.497 1.00 10.00 H new ATOM 669 N ASN A 48 -1.579 5.339 -6.631 1.00 10.00 N ATOM 670 CA ASN A 48 -1.277 6.507 -7.440 1.00 10.00 C ATOM 671 C ASN A 48 -0.244 7.372 -6.714 1.00 10.00 C ATOM 672 O ASN A 48 0.566 8.043 -7.351 1.00 10.00 O ATOM 673 CB ASN A 48 -2.529 7.358 -7.667 1.00 10.00 C ATOM 674 CG ASN A 48 -3.071 7.901 -6.344 1.00 10.00 C ATOM 675 OD1 ASN A 48 -3.067 7.236 -5.322 1.00 10.00 O ATOM 676 ND2 ASN A 48 -3.535 9.145 -6.420 1.00 10.00 N ATOM 0 H ASN A 48 -2.510 5.338 -6.214 1.00 10.00 H new ATOM 0 HA ASN A 48 -0.895 6.162 -8.401 1.00 10.00 H new ATOM 0 HB2 ASN A 48 -2.293 8.187 -8.335 1.00 10.00 H new ATOM 0 HB3 ASN A 48 -3.295 6.759 -8.160 1.00 10.00 H new ATOM 0 HD21 ASN A 48 -3.917 9.598 -5.590 1.00 10.00 H new ATOM 0 HD22 ASN A 48 -3.509 9.646 -7.308 1.00 10.00 H new ATOM 683 N ALA A 49 -0.307 7.327 -5.391 1.00 10.00 N ATOM 684 CA ALA A 49 0.554 8.164 -4.573 1.00 10.00 C ATOM 685 C ALA A 49 1.881 7.441 -4.331 1.00 10.00 C ATOM 686 O ALA A 49 2.108 6.896 -3.253 1.00 10.00 O ATOM 687 CB ALA A 49 -0.165 8.514 -3.268 1.00 10.00 C ATOM 0 H ALA A 49 -0.941 6.724 -4.866 1.00 10.00 H new ATOM 0 HA ALA A 49 0.777 9.100 -5.084 1.00 10.00 H new ATOM 0 HB1 ALA A 49 0.481 9.142 -2.654 1.00 10.00 H new ATOM 0 HB2 ALA A 49 -1.086 9.051 -3.493 1.00 10.00 H new ATOM 0 HB3 ALA A 49 -0.402 7.598 -2.726 1.00 10.00 H new ATOM 693 N LYS A 50 2.723 7.460 -5.354 1.00 10.00 N ATOM 694 CA LYS A 50 3.918 6.634 -5.355 1.00 10.00 C ATOM 695 C LYS A 50 4.794 7.010 -4.158 1.00 10.00 C ATOM 696 O LYS A 50 4.770 8.152 -3.701 1.00 10.00 O ATOM 697 CB LYS A 50 4.639 6.737 -6.701 1.00 10.00 C ATOM 698 CG LYS A 50 5.342 8.088 -6.845 1.00 10.00 C ATOM 699 CD LYS A 50 6.831 7.970 -6.512 1.00 10.00 C ATOM 700 CE LYS A 50 7.507 9.342 -6.533 1.00 10.00 C ATOM 701 NZ LYS A 50 8.903 9.239 -6.050 1.00 10.00 N ATOM 0 H LYS A 50 2.601 8.035 -6.188 1.00 10.00 H new ATOM 0 HA LYS A 50 3.654 5.583 -5.240 1.00 10.00 H new ATOM 0 HB2 LYS A 50 5.369 5.932 -6.789 1.00 10.00 H new ATOM 0 HB3 LYS A 50 3.922 6.608 -7.512 1.00 10.00 H new ATOM 0 HG2 LYS A 50 5.222 8.458 -7.863 1.00 10.00 H new ATOM 0 HG3 LYS A 50 4.875 8.817 -6.184 1.00 10.00 H new ATOM 0 HD2 LYS A 50 6.953 7.516 -5.529 1.00 10.00 H new ATOM 0 HD3 LYS A 50 7.317 7.310 -7.231 1.00 10.00 H new ATOM 0 HE2 LYS A 50 7.495 9.745 -7.546 1.00 10.00 H new ATOM 0 HE3 LYS A 50 6.950 10.038 -5.907 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 9.348 10.179 -6.071 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 8.907 8.875 -5.076 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 9.436 8.590 -6.664 1.00 10.00 H new ATOM 714 N VAL A 51 5.547 6.028 -3.685 1.00 10.00 N ATOM 715 CA VAL A 51 6.387 6.226 -2.516 1.00 10.00 C ATOM 716 C VAL A 51 7.803 5.735 -2.822 1.00 10.00 C ATOM 717 O VAL A 51 8.011 4.977 -3.769 1.00 10.00 O ATOM 718 CB VAL A 51 5.764 5.535 -1.301 1.00 10.00 C ATOM 719 CG1 VAL A 51 4.309 5.969 -1.109 1.00 10.00 C ATOM 720 CG2 VAL A 51 5.871 4.013 -1.422 1.00 10.00 C ATOM 0 H VAL A 51 5.593 5.093 -4.090 1.00 10.00 H new ATOM 0 HA VAL A 51 6.456 7.286 -2.270 1.00 10.00 H new ATOM 0 HB VAL A 51 6.324 5.841 -0.417 1.00 10.00 H new ATOM 0 HG11 VAL A 51 3.890 5.463 -0.239 1.00 10.00 H new ATOM 0 HG12 VAL A 51 4.268 7.047 -0.956 1.00 10.00 H new ATOM 0 HG13 VAL A 51 3.731 5.706 -1.995 1.00 10.00 H new ATOM 0 HG21 VAL A 51 5.421 3.546 -0.546 1.00 10.00 H new ATOM 0 HG22 VAL A 51 5.348 3.682 -2.319 1.00 10.00 H new ATOM 0 HG23 VAL A 51 6.921 3.726 -1.487 1.00 10.00 H new ATOM 730 N SER A 52 8.742 6.186 -2.003 1.00 10.00 N ATOM 731 CA SER A 52 10.042 5.542 -1.927 1.00 10.00 C ATOM 732 C SER A 52 10.051 4.515 -0.793 1.00 10.00 C ATOM 733 O SER A 52 9.300 4.644 0.173 1.00 10.00 O ATOM 734 CB SER A 52 11.155 6.571 -1.720 1.00 10.00 C ATOM 735 OG SER A 52 12.401 5.954 -1.408 1.00 10.00 O ATOM 0 H SER A 52 8.628 6.990 -1.386 1.00 10.00 H new ATOM 0 HA SER A 52 10.227 5.032 -2.872 1.00 10.00 H new ATOM 0 HB2 SER A 52 11.264 7.173 -2.622 1.00 10.00 H new ATOM 0 HB3 SER A 52 10.875 7.251 -0.915 1.00 10.00 H new ATOM 0 HG SER A 52 12.793 5.579 -2.224 1.00 10.00 H new ATOM 741 N ASP A 53 10.909 3.517 -0.948 1.00 10.00 N ATOM 742 CA ASP A 53 11.335 2.714 0.186 1.00 10.00 C ATOM 743 C ASP A 53 12.861 2.603 0.182 1.00 10.00 C ATOM 744 O ASP A 53 13.415 1.587 0.600 1.00 10.00 O ATOM 745 CB ASP A 53 10.759 1.299 0.106 1.00 10.00 C ATOM 746 CG ASP A 53 11.188 0.494 -1.123 1.00 10.00 C ATOM 747 OD1 ASP A 53 10.577 0.594 -2.197 1.00 10.00 O ATOM 748 OD2 ASP A 53 12.209 -0.273 -0.942 1.00 10.00 O ATOM 0 H ASP A 53 11.320 3.246 -1.841 1.00 10.00 H new ATOM 0 HA ASP A 53 10.978 3.198 1.095 1.00 10.00 H new ATOM 0 HB2 ASP A 53 11.054 0.752 1.001 1.00 10.00 H new ATOM 0 HB3 ASP A 53 9.671 1.365 0.117 1.00 10.00 H new ATOM 754 N SER A 54 13.498 3.663 -0.296 1.00 10.00 N ATOM 755 CA SER A 54 14.901 3.588 -0.668 1.00 10.00 C ATOM 756 C SER A 54 15.688 4.696 0.034 1.00 10.00 C ATOM 757 O SER A 54 16.669 5.203 -0.507 1.00 10.00 O ATOM 758 CB SER A 54 15.075 3.691 -2.184 1.00 10.00 C ATOM 759 OG SER A 54 14.313 4.762 -2.737 1.00 10.00 O ATOM 0 H SER A 54 13.068 4.578 -0.434 1.00 10.00 H new ATOM 0 HA SER A 54 15.288 2.620 -0.351 1.00 10.00 H new ATOM 0 HB2 SER A 54 16.129 3.837 -2.419 1.00 10.00 H new ATOM 0 HB3 SER A 54 14.772 2.753 -2.648 1.00 10.00 H new ATOM 0 HG SER A 54 14.906 5.515 -2.939 1.00 10.00 H new ATOM 765 N ALA A 55 15.229 5.039 1.229 1.00 10.00 N ATOM 766 CA ALA A 55 16.055 5.786 2.162 1.00 10.00 C ATOM 767 C ALA A 55 16.505 7.093 1.505 1.00 10.00 C ATOM 768 O ALA A 55 17.699 7.374 1.428 1.00 10.00 O ATOM 769 CB ALA A 55 17.237 4.920 2.605 1.00 10.00 C ATOM 0 H ALA A 55 14.295 4.813 1.572 1.00 10.00 H new ATOM 0 HA ALA A 55 15.486 6.044 3.055 1.00 10.00 H new ATOM 0 HB1 ALA A 55 17.857 5.481 3.305 1.00 10.00 H new ATOM 0 HB2 ALA A 55 16.865 4.018 3.091 1.00 10.00 H new ATOM 0 HB3 ALA A 55 17.832 4.644 1.735 1.00 10.00 H new ATOM 775 N THR A 56 15.523 7.856 1.048 1.00 10.00 N ATOM 776 CA THR A 56 15.781 9.207 0.578 1.00 10.00 C ATOM 777 C THR A 56 16.722 9.180 -0.629 1.00 10.00 C ATOM 778 O THR A 56 17.928 9.372 -0.485 1.00 10.00 O ATOM 779 CB THR A 56 16.325 10.021 1.754 1.00 10.00 C ATOM 780 OG1 THR A 56 15.379 9.800 2.796 1.00 10.00 O ATOM 781 CG2 THR A 56 16.258 11.528 1.503 1.00 10.00 C ATOM 0 H THR A 56 14.547 7.565 0.993 1.00 10.00 H new ATOM 0 HA THR A 56 14.867 9.686 0.228 1.00 10.00 H new ATOM 0 HB THR A 56 17.357 9.731 1.949 1.00 10.00 H new ATOM 0 HG1 THR A 56 15.820 9.354 3.549 1.00 10.00 H new ATOM 0 HG21 THR A 56 16.656 12.059 2.368 1.00 10.00 H new ATOM 0 HG22 THR A 56 16.849 11.777 0.621 1.00 10.00 H new ATOM 0 HG23 THR A 56 15.222 11.824 1.341 1.00 10.00 H new ATOM 789 N ASN A 57 16.133 8.941 -1.792 1.00 10.00 N ATOM 790 CA ASN A 57 16.825 9.190 -3.045 1.00 10.00 C ATOM 791 C ASN A 57 16.307 10.493 -3.658 1.00 10.00 C ATOM 792 O ASN A 57 16.865 10.987 -4.637 1.00 10.00 O ATOM 793 CB ASN A 57 16.571 8.062 -4.047 1.00 10.00 C ATOM 794 CG ASN A 57 15.105 8.039 -4.487 1.00 10.00 C ATOM 795 OD1 ASN A 57 14.333 7.243 -3.753 1.00 10.00 O flip ATOM 796 ND2 ASN A 57 14.703 8.700 -5.430 1.00 10.00 N flip ATOM 0 H ASN A 57 15.185 8.578 -1.893 1.00 10.00 H new ATOM 0 HA ASN A 57 17.893 9.252 -2.835 1.00 10.00 H new ATOM 0 HB2 ASN A 57 17.214 8.193 -4.918 1.00 10.00 H new ATOM 0 HB3 ASN A 57 16.834 7.105 -3.597 1.00 10.00 H new ATOM 0 HD21 ASN A 57 15.350 9.291 -5.951 1.00 10.00 H new ATOM 0 HD22 ASN A 57 13.719 8.662 -5.697 1.00 10.00 H new ATOM 803 N ILE A 58 15.246 11.011 -3.058 1.00 10.00 N ATOM 804 CA ILE A 58 14.620 12.223 -3.559 1.00 10.00 C ATOM 805 C ILE A 58 15.236 13.437 -2.861 1.00 10.00 C ATOM 806 O ILE A 58 15.450 13.418 -1.650 1.00 10.00 O ATOM 807 CB ILE A 58 13.099 12.138 -3.418 1.00 10.00 C ATOM 808 CG1 ILE A 58 12.519 11.077 -4.356 1.00 10.00 C ATOM 809 CG2 ILE A 58 12.451 13.508 -3.632 1.00 10.00 C ATOM 810 CD1 ILE A 58 12.062 9.845 -3.574 1.00 10.00 C ATOM 0 H ILE A 58 14.804 10.614 -2.229 1.00 10.00 H new ATOM 0 HA ILE A 58 14.812 12.338 -4.626 1.00 10.00 H new ATOM 0 HB ILE A 58 12.868 11.828 -2.399 1.00 10.00 H new ATOM 0 HG12 ILE A 58 11.677 11.495 -4.907 1.00 10.00 H new ATOM 0 HG13 ILE A 58 13.269 10.787 -5.092 1.00 10.00 H new ATOM 0 HG21 ILE A 58 11.370 13.420 -3.526 1.00 10.00 H new ATOM 0 HG22 ILE A 58 12.832 14.210 -2.891 1.00 10.00 H new ATOM 0 HG23 ILE A 58 12.689 13.871 -4.632 1.00 10.00 H new ATOM 0 HD11 ILE A 58 11.654 9.107 -4.264 1.00 10.00 H new ATOM 0 HD12 ILE A 58 12.912 9.415 -3.043 1.00 10.00 H new ATOM 0 HD13 ILE A 58 11.294 10.134 -2.856 1.00 10.00 H new