USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 602 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 1 ASN N :NH3+ 174:sc= 2.18 (180deg=0.821) USER MOD Set 1.2: A 48 ASN : amide:sc= 1.7 K(o=3.9,f=-13!) USER MOD Set 2.1: A 20 ASN : amide:sc= -0.278 X(o=-1.7,f=-1.2) USER MOD Set 2.2: A 24 ASN : amide:sc= -1.39 X(o=-1.7,f=-1.8) USER MOD Set 3.1: A 8 GLN : amide:sc= 1.07 K(o=2.3,f=-7.4!) USER MOD Set 3.2: A 42 LYS NZ :NH3+ 152:sc= 1.24 (180deg=0) USER MOD Set 4.1: A 4 LYS NZ :NH3+ -163:sc= 1.75 (180deg=0.936) USER MOD Set 4.2: A 6 TYR OH : rot 16:sc= 1.96 USER MOD Single : A 1 ASN : amide:sc= 0.541 K(o=0.54,f=-6.7!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0771 USER MOD Single : A 5 CYS SG : rot 117:sc= 0.88 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0198 USER MOD Single : A 12 MET CE :methyl 160:sc= -0.968 (180deg=-2.21!) USER MOD Single : A 13 THR OG1 : rot -118:sc= 0.898 USER MOD Single : A 16 SER OG : rot 180:sc= 0.106 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 5:sc= 1.84 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 30:sc= -0.11 USER MOD Single : A 53 GLN : amide:sc= -0.414 X(o=-0.41,f=-0.36) USER MOD Single : A 56 MET CE :methyl -104:sc= -0.0134 (180deg=-0.334) USER MOD Single : A 69 THR OG1 : rot -53:sc= 0.43 USER MOD Single : A 73 ASN : amide:sc= 0.178 X(o=0.18,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 0.806 14.395 -11.046 1.00 3.66 N ATOM 2 CA ASN A 1 0.596 15.401 -9.983 1.00 2.85 C ATOM 3 C ASN A 1 -0.297 14.831 -8.886 1.00 2.12 C ATOM 4 O ASN A 1 -1.346 15.388 -8.582 1.00 3.11 O ATOM 5 CB ASN A 1 0.020 16.715 -10.529 1.00 3.62 C ATOM 6 CG ASN A 1 0.889 17.315 -11.629 1.00 4.47 C ATOM 7 OD1 ASN A 1 1.621 16.578 -12.288 1.00 4.79 O ATOM 8 ND2 ASN A 1 0.814 18.623 -11.846 1.00 5.50 N ATOM 0 H1 ASN A 1 1.330 14.827 -11.834 1.00 3.66 H new ATOM 0 H2 ASN A 1 1.351 13.596 -10.665 1.00 3.66 H new ATOM 0 H3 ASN A 1 -0.115 14.054 -11.388 1.00 3.66 H new ATOM 0 HA ASN A 1 1.572 15.637 -9.559 1.00 2.85 H new ATOM 0 HB2 ASN A 1 -0.982 16.536 -10.918 1.00 3.62 H new ATOM 0 HB3 ASN A 1 -0.078 17.433 -9.714 1.00 3.62 H new ATOM 0 HD21 ASN A 1 1.376 19.051 -12.582 1.00 5.50 H new ATOM 0 HD22 ASN A 1 0.194 19.200 -11.277 1.00 5.50 H new ATOM 17 N SER A 2 0.128 13.696 -8.331 1.00 1.81 N ATOM 18 CA SER A 2 -0.608 12.917 -7.348 1.00 1.18 C ATOM 19 C SER A 2 -1.895 12.296 -7.916 1.00 1.63 C ATOM 20 O SER A 2 -2.464 12.758 -8.904 1.00 2.93 O ATOM 21 CB SER A 2 -0.872 13.737 -6.079 1.00 1.48 C ATOM 22 OG SER A 2 0.329 14.342 -5.634 1.00 2.10 O ATOM 0 H SER A 2 1.030 13.282 -8.566 1.00 1.81 H new ATOM 0 HA SER A 2 0.027 12.075 -7.073 1.00 1.18 H new ATOM 0 HB2 SER A 2 -1.621 14.502 -6.280 1.00 1.48 H new ATOM 0 HB3 SER A 2 -1.276 13.093 -5.298 1.00 1.48 H new ATOM 0 HG SER A 2 0.151 14.865 -4.824 1.00 2.10 H new ATOM 28 N SER A 3 -2.328 11.199 -7.301 1.00 0.78 N ATOM 29 CA SER A 3 -3.572 10.484 -7.515 1.00 0.99 C ATOM 30 C SER A 3 -3.831 9.698 -6.225 1.00 0.75 C ATOM 31 O SER A 3 -2.945 9.631 -5.367 1.00 0.60 O ATOM 32 CB SER A 3 -3.445 9.541 -8.719 1.00 1.27 C ATOM 33 OG SER A 3 -2.951 10.225 -9.854 1.00 2.14 O ATOM 0 H SER A 3 -1.764 10.753 -6.578 1.00 0.78 H new ATOM 0 HA SER A 3 -4.397 11.162 -7.734 1.00 0.99 H new ATOM 0 HB2 SER A 3 -2.778 8.716 -8.469 1.00 1.27 H new ATOM 0 HB3 SER A 3 -4.418 9.106 -8.948 1.00 1.27 H new ATOM 0 HG SER A 3 -2.878 9.601 -10.606 1.00 2.14 H new ATOM 39 N LYS A 4 -5.017 9.103 -6.084 1.00 1.09 N ATOM 40 CA LYS A 4 -5.375 8.277 -4.945 1.00 0.98 C ATOM 41 C LYS A 4 -5.962 6.964 -5.462 1.00 0.93 C ATOM 42 O LYS A 4 -6.526 6.943 -6.553 1.00 1.20 O ATOM 43 CB LYS A 4 -6.390 9.048 -4.093 1.00 1.40 C ATOM 44 CG LYS A 4 -6.527 8.453 -2.690 1.00 1.22 C ATOM 45 CD LYS A 4 -7.698 9.113 -1.961 1.00 1.71 C ATOM 46 CE LYS A 4 -7.718 8.586 -0.522 1.00 2.66 C ATOM 47 NZ LYS A 4 -8.895 9.028 0.249 1.00 3.46 N ATOM 0 H LYS A 4 -5.764 9.187 -6.774 1.00 1.09 H new ATOM 0 HA LYS A 4 -4.506 8.046 -4.329 1.00 0.98 H new ATOM 0 HB2 LYS A 4 -6.082 10.091 -4.016 1.00 1.40 H new ATOM 0 HB3 LYS A 4 -7.361 9.038 -4.588 1.00 1.40 H new ATOM 0 HG2 LYS A 4 -6.687 7.377 -2.755 1.00 1.22 H new ATOM 0 HG3 LYS A 4 -5.605 8.605 -2.129 1.00 1.22 H new ATOM 0 HD2 LYS A 4 -7.589 10.197 -1.968 1.00 1.71 H new ATOM 0 HD3 LYS A 4 -8.638 8.884 -2.464 1.00 1.71 H new ATOM 0 HE2 LYS A 4 -7.695 7.496 -0.542 1.00 2.66 H new ATOM 0 HE3 LYS A 4 -6.814 8.915 -0.010 1.00 2.66 H new ATOM 0 HZ1 LYS A 4 -8.716 8.891 1.264 1.00 3.46 H new ATOM 0 HZ2 LYS A 4 -9.074 10.035 0.062 1.00 3.46 H new ATOM 0 HZ3 LYS A 4 -9.726 8.470 -0.035 1.00 3.46 H new ATOM 61 N CYS A 5 -5.841 5.887 -4.683 1.00 0.78 N ATOM 62 CA CYS A 5 -6.523 4.623 -4.943 1.00 0.76 C ATOM 63 C CYS A 5 -6.810 3.968 -3.590 1.00 0.80 C ATOM 64 O CYS A 5 -6.144 4.288 -2.604 1.00 0.88 O ATOM 65 CB CYS A 5 -5.655 3.734 -5.845 1.00 0.77 C ATOM 66 SG CYS A 5 -6.457 2.148 -6.165 1.00 1.46 S ATOM 0 H CYS A 5 -5.260 5.871 -3.845 1.00 0.78 H new ATOM 0 HA CYS A 5 -7.463 4.780 -5.471 1.00 0.76 H new ATOM 0 HB2 CYS A 5 -5.464 4.245 -6.789 1.00 0.77 H new ATOM 0 HB3 CYS A 5 -4.687 3.566 -5.372 1.00 0.77 H new ATOM 0 HG CYS A 5 -6.695 2.031 -7.438 1.00 1.46 H new ATOM 72 N TYR A 6 -7.810 3.089 -3.524 1.00 0.85 N ATOM 73 CA TYR A 6 -8.064 2.236 -2.376 1.00 0.88 C ATOM 74 C TYR A 6 -7.632 0.827 -2.760 1.00 0.90 C ATOM 75 O TYR A 6 -7.854 0.385 -3.885 1.00 1.05 O ATOM 76 CB TYR A 6 -9.541 2.287 -1.984 1.00 0.93 C ATOM 77 CG TYR A 6 -9.945 3.574 -1.306 1.00 0.90 C ATOM 78 CD1 TYR A 6 -9.815 3.691 0.087 1.00 1.83 C ATOM 79 CD2 TYR A 6 -10.431 4.659 -2.060 1.00 2.17 C ATOM 80 CE1 TYR A 6 -10.250 4.855 0.735 1.00 1.94 C ATOM 81 CE2 TYR A 6 -10.764 5.865 -1.417 1.00 2.32 C ATOM 82 CZ TYR A 6 -10.661 5.965 -0.020 1.00 1.37 C ATOM 83 OH TYR A 6 -10.772 7.187 0.575 1.00 1.78 O ATOM 0 H TYR A 6 -8.476 2.952 -4.285 1.00 0.85 H new ATOM 0 HA TYR A 6 -7.502 2.573 -1.505 1.00 0.88 H new ATOM 0 HB2 TYR A 6 -10.150 2.151 -2.878 1.00 0.93 H new ATOM 0 HB3 TYR A 6 -9.760 1.452 -1.319 1.00 0.93 H new ATOM 0 HD1 TYR A 6 -9.380 2.885 0.659 1.00 1.83 H new ATOM 0 HD2 TYR A 6 -10.548 4.566 -3.130 1.00 2.17 H new ATOM 0 HE1 TYR A 6 -10.269 4.898 1.814 1.00 1.94 H new ATOM 0 HE2 TYR A 6 -11.098 6.713 -1.997 1.00 2.32 H new ATOM 0 HH TYR A 6 -10.299 7.177 1.433 1.00 1.78 H new ATOM 93 N ILE A 7 -6.972 0.139 -1.835 1.00 0.85 N ATOM 94 CA ILE A 7 -6.351 -1.152 -2.066 1.00 0.82 C ATOM 95 C ILE A 7 -6.687 -1.963 -0.816 1.00 0.83 C ATOM 96 O ILE A 7 -6.722 -1.391 0.269 1.00 1.16 O ATOM 97 CB ILE A 7 -4.832 -0.978 -2.320 1.00 0.89 C ATOM 98 CG1 ILE A 7 -4.575 0.097 -3.395 1.00 1.54 C ATOM 99 CG2 ILE A 7 -4.179 -2.303 -2.748 1.00 0.78 C ATOM 100 CD1 ILE A 7 -3.109 0.229 -3.820 1.00 1.76 C ATOM 0 H ILE A 7 -6.853 0.476 -0.880 1.00 0.85 H new ATOM 0 HA ILE A 7 -6.714 -1.667 -2.955 1.00 0.82 H new ATOM 0 HB ILE A 7 -4.382 -0.658 -1.380 1.00 0.89 H new ATOM 0 HG12 ILE A 7 -5.176 -0.135 -4.274 1.00 1.54 H new ATOM 0 HG13 ILE A 7 -4.920 1.060 -3.018 1.00 1.54 H new ATOM 0 HG21 ILE A 7 -3.114 -2.145 -2.918 1.00 0.78 H new ATOM 0 HG22 ILE A 7 -4.315 -3.046 -1.962 1.00 0.78 H new ATOM 0 HG23 ILE A 7 -4.645 -2.658 -3.667 1.00 0.78 H new ATOM 0 HD11 ILE A 7 -3.019 1.007 -4.578 1.00 1.76 H new ATOM 0 HD12 ILE A 7 -2.502 0.494 -2.954 1.00 1.76 H new ATOM 0 HD13 ILE A 7 -2.762 -0.720 -4.230 1.00 1.76 H new ATOM 112 N GLN A 8 -7.025 -3.248 -0.923 1.00 0.66 N ATOM 113 CA GLN A 8 -7.412 -4.045 0.239 1.00 0.77 C ATOM 114 C GLN A 8 -6.479 -5.247 0.328 1.00 0.82 C ATOM 115 O GLN A 8 -6.350 -6.003 -0.640 1.00 1.24 O ATOM 116 CB GLN A 8 -8.911 -4.373 0.213 1.00 1.37 C ATOM 117 CG GLN A 8 -9.698 -3.081 -0.062 1.00 3.07 C ATOM 118 CD GLN A 8 -11.182 -3.168 0.274 1.00 3.75 C ATOM 119 OE1 GLN A 8 -11.755 -2.216 0.805 1.00 4.39 O ATOM 120 NE2 GLN A 8 -11.824 -4.290 -0.035 1.00 4.34 N ATOM 0 H GLN A 8 -7.038 -3.760 -1.805 1.00 0.66 H new ATOM 0 HA GLN A 8 -7.289 -3.484 1.165 1.00 0.77 H new ATOM 0 HB2 GLN A 8 -9.122 -5.114 -0.558 1.00 1.37 H new ATOM 0 HB3 GLN A 8 -9.219 -4.807 1.164 1.00 1.37 H new ATOM 0 HG2 GLN A 8 -9.254 -2.269 0.514 1.00 3.07 H new ATOM 0 HG3 GLN A 8 -9.590 -2.821 -1.115 1.00 3.07 H new ATOM 0 HE21 GLN A 8 -11.321 -5.061 -0.474 1.00 4.34 H new ATOM 0 HE22 GLN A 8 -12.820 -4.380 0.167 1.00 4.34 H new ATOM 129 N VAL A 9 -5.751 -5.329 1.449 1.00 0.66 N ATOM 130 CA VAL A 9 -4.512 -6.098 1.564 1.00 0.71 C ATOM 131 C VAL A 9 -4.701 -7.296 2.501 1.00 0.79 C ATOM 132 O VAL A 9 -5.352 -7.177 3.533 1.00 1.10 O ATOM 133 CB VAL A 9 -3.378 -5.158 2.017 1.00 0.91 C ATOM 134 CG1 VAL A 9 -2.043 -5.892 2.199 1.00 2.26 C ATOM 135 CG2 VAL A 9 -3.179 -4.031 0.994 1.00 2.90 C ATOM 0 H VAL A 9 -6.013 -4.854 2.313 1.00 0.66 H new ATOM 0 HA VAL A 9 -4.237 -6.513 0.594 1.00 0.71 H new ATOM 0 HB VAL A 9 -3.681 -4.752 2.982 1.00 0.91 H new ATOM 0 HG11 VAL A 9 -1.279 -5.183 2.519 1.00 2.26 H new ATOM 0 HG12 VAL A 9 -2.155 -6.670 2.954 1.00 2.26 H new ATOM 0 HG13 VAL A 9 -1.745 -6.345 1.253 1.00 2.26 H new ATOM 0 HG21 VAL A 9 -2.375 -3.375 1.327 1.00 2.90 H new ATOM 0 HG22 VAL A 9 -2.920 -4.460 0.026 1.00 2.90 H new ATOM 0 HG23 VAL A 9 -4.101 -3.457 0.901 1.00 2.90 H new ATOM 145 N THR A 10 -4.144 -8.458 2.141 1.00 0.90 N ATOM 146 CA THR A 10 -4.462 -9.718 2.808 1.00 1.05 C ATOM 147 C THR A 10 -3.980 -9.778 4.266 1.00 1.10 C ATOM 148 O THR A 10 -4.725 -10.242 5.124 1.00 2.60 O ATOM 149 CB THR A 10 -3.943 -10.892 1.969 1.00 1.43 C ATOM 150 OG1 THR A 10 -4.063 -10.581 0.595 1.00 2.40 O ATOM 151 CG2 THR A 10 -4.714 -12.183 2.257 1.00 1.67 C ATOM 0 H THR A 10 -3.466 -8.548 1.385 1.00 0.90 H new ATOM 0 HA THR A 10 -5.547 -9.790 2.877 1.00 1.05 H new ATOM 0 HB THR A 10 -2.898 -11.052 2.236 1.00 1.43 H new ATOM 0 HG1 THR A 10 -3.730 -11.331 0.060 1.00 2.40 H new ATOM 0 HG21 THR A 10 -4.315 -12.990 1.642 1.00 1.67 H new ATOM 0 HG22 THR A 10 -4.608 -12.443 3.310 1.00 1.67 H new ATOM 0 HG23 THR A 10 -5.769 -12.037 2.024 1.00 1.67 H new ATOM 159 N GLY A 11 -2.757 -9.312 4.558 1.00 1.64 N ATOM 160 CA GLY A 11 -2.269 -9.170 5.934 1.00 1.65 C ATOM 161 C GLY A 11 -1.501 -7.880 6.112 1.00 2.62 C ATOM 162 O GLY A 11 -0.470 -7.776 6.765 1.00 3.70 O ATOM 0 H GLY A 11 -2.082 -9.025 3.849 1.00 1.64 H new ATOM 0 HA2 GLY A 11 -3.111 -9.193 6.625 1.00 1.65 H new ATOM 0 HA3 GLY A 11 -1.628 -10.015 6.184 1.00 1.65 H new ATOM 166 N MET A 12 -2.198 -6.883 5.609 1.00 2.70 N ATOM 167 CA MET A 12 -2.402 -5.572 6.185 1.00 2.98 C ATOM 168 C MET A 12 -1.995 -5.546 7.660 1.00 3.06 C ATOM 169 O MET A 12 -1.225 -4.698 8.102 1.00 3.58 O ATOM 170 CB MET A 12 -3.913 -5.393 6.057 1.00 3.01 C ATOM 171 CG MET A 12 -4.511 -4.091 6.564 1.00 3.22 C ATOM 172 SD MET A 12 -6.297 -4.171 6.629 1.00 3.53 S ATOM 173 CE MET A 12 -6.568 -5.557 7.768 1.00 3.56 C ATOM 0 H MET A 12 -2.675 -6.978 4.713 1.00 2.70 H new ATOM 0 HA MET A 12 -1.814 -4.793 5.699 1.00 2.98 H new ATOM 0 HB2 MET A 12 -4.176 -5.496 5.004 1.00 3.01 H new ATOM 0 HB3 MET A 12 -4.395 -6.214 6.588 1.00 3.01 H new ATOM 0 HG2 MET A 12 -4.119 -3.872 7.557 1.00 3.22 H new ATOM 0 HG3 MET A 12 -4.206 -3.272 5.913 1.00 3.22 H new ATOM 0 HE1 MET A 12 -7.577 -5.501 8.176 1.00 3.56 H new ATOM 0 HE2 MET A 12 -6.446 -6.498 7.232 1.00 3.56 H new ATOM 0 HE3 MET A 12 -5.844 -5.506 8.582 1.00 3.56 H new ATOM 183 N THR A 13 -2.553 -6.505 8.398 1.00 2.89 N ATOM 184 CA THR A 13 -2.185 -6.878 9.739 1.00 3.16 C ATOM 185 C THR A 13 -1.811 -8.364 9.693 1.00 2.79 C ATOM 186 O THR A 13 -2.632 -9.174 9.263 1.00 3.86 O ATOM 187 CB THR A 13 -3.406 -6.577 10.631 1.00 3.75 C ATOM 188 OG1 THR A 13 -3.100 -6.664 12.000 1.00 4.22 O ATOM 189 CG2 THR A 13 -4.645 -7.446 10.371 1.00 4.31 C ATOM 0 H THR A 13 -3.323 -7.071 8.040 1.00 2.89 H new ATOM 0 HA THR A 13 -1.333 -6.332 10.145 1.00 3.16 H new ATOM 0 HB THR A 13 -3.658 -5.554 10.350 1.00 3.75 H new ATOM 0 HG1 THR A 13 -3.639 -7.372 12.411 1.00 4.22 H new ATOM 0 HG21 THR A 13 -5.445 -7.152 11.051 1.00 4.31 H new ATOM 0 HG22 THR A 13 -4.976 -7.309 9.341 1.00 4.31 H new ATOM 0 HG23 THR A 13 -4.395 -8.494 10.536 1.00 4.31 H new ATOM 197 N CYS A 14 -0.624 -8.744 10.173 1.00 2.10 N ATOM 198 CA CYS A 14 -0.601 -9.688 11.279 1.00 1.33 C ATOM 199 C CYS A 14 -0.094 -8.923 12.519 1.00 1.39 C ATOM 200 O CYS A 14 1.001 -9.148 13.039 1.00 2.57 O ATOM 201 CB CYS A 14 0.125 -11.000 10.940 1.00 2.11 C ATOM 202 SG CYS A 14 1.740 -10.775 10.162 1.00 2.98 S ATOM 0 H CYS A 14 0.285 -8.430 9.832 1.00 2.10 H new ATOM 0 HA CYS A 14 -1.601 -10.059 11.505 1.00 1.33 H new ATOM 0 HB2 CYS A 14 0.253 -11.578 11.855 1.00 2.11 H new ATOM 0 HB3 CYS A 14 -0.506 -11.590 10.276 1.00 2.11 H new ATOM 207 N ALA A 15 -0.903 -7.942 12.944 1.00 1.53 N ATOM 208 CA ALA A 15 -0.652 -6.938 13.979 1.00 1.89 C ATOM 209 C ALA A 15 0.483 -5.996 13.589 1.00 1.73 C ATOM 210 O ALA A 15 0.276 -4.800 13.394 1.00 3.30 O ATOM 211 CB ALA A 15 -0.442 -7.594 15.350 1.00 2.47 C ATOM 0 H ALA A 15 -1.830 -7.824 12.534 1.00 1.53 H new ATOM 0 HA ALA A 15 -1.542 -6.315 14.066 1.00 1.89 H new ATOM 0 HB1 ALA A 15 -0.258 -6.823 16.098 1.00 2.47 H new ATOM 0 HB2 ALA A 15 -1.333 -8.159 15.623 1.00 2.47 H new ATOM 0 HB3 ALA A 15 0.414 -8.267 15.304 1.00 2.47 H new ATOM 217 N SER A 16 1.681 -6.553 13.468 1.00 1.50 N ATOM 218 CA SER A 16 2.921 -5.888 13.121 1.00 1.86 C ATOM 219 C SER A 16 2.761 -4.964 11.910 1.00 1.37 C ATOM 220 O SER A 16 3.228 -3.828 11.897 1.00 1.64 O ATOM 221 CB SER A 16 3.937 -6.991 12.794 1.00 2.98 C ATOM 222 OG SER A 16 3.717 -8.135 13.611 1.00 3.72 O ATOM 0 H SER A 16 1.816 -7.552 13.622 1.00 1.50 H new ATOM 0 HA SER A 16 3.246 -5.263 13.953 1.00 1.86 H new ATOM 0 HB2 SER A 16 3.856 -7.267 11.743 1.00 2.98 H new ATOM 0 HB3 SER A 16 4.949 -6.617 12.948 1.00 2.98 H new ATOM 0 HG SER A 16 4.373 -8.828 13.387 1.00 3.72 H new ATOM 228 N CYS A 17 2.157 -5.514 10.860 1.00 1.34 N ATOM 229 CA CYS A 17 2.560 -5.239 9.493 1.00 1.59 C ATOM 230 C CYS A 17 2.265 -3.830 9.020 1.00 1.26 C ATOM 231 O CYS A 17 2.930 -3.360 8.101 1.00 1.30 O ATOM 232 CB CYS A 17 1.960 -6.290 8.568 1.00 2.13 C ATOM 233 SG CYS A 17 2.701 -7.850 9.089 1.00 3.13 S ATOM 0 H CYS A 17 1.374 -6.163 10.938 1.00 1.34 H new ATOM 0 HA CYS A 17 3.648 -5.302 9.465 1.00 1.59 H new ATOM 0 HB2 CYS A 17 0.874 -6.320 8.657 1.00 2.13 H new ATOM 0 HB3 CYS A 17 2.189 -6.074 7.524 1.00 2.13 H new ATOM 238 N VAL A 18 1.348 -3.110 9.663 1.00 1.04 N ATOM 239 CA VAL A 18 1.177 -1.711 9.402 1.00 0.94 C ATOM 240 C VAL A 18 2.518 -0.974 9.534 1.00 0.74 C ATOM 241 O VAL A 18 2.829 -0.096 8.729 1.00 0.70 O ATOM 242 CB VAL A 18 0.054 -1.251 10.341 1.00 1.09 C ATOM 243 CG1 VAL A 18 0.291 0.128 10.902 1.00 2.45 C ATOM 244 CG2 VAL A 18 -1.278 -1.393 9.619 1.00 2.18 C ATOM 0 H VAL A 18 0.717 -3.489 10.369 1.00 1.04 H new ATOM 0 HA VAL A 18 0.874 -1.483 8.380 1.00 0.94 H new ATOM 0 HB VAL A 18 0.037 -1.894 11.221 1.00 1.09 H new ATOM 0 HG11 VAL A 18 -0.535 0.401 11.559 1.00 2.45 H new ATOM 0 HG12 VAL A 18 1.222 0.135 11.468 1.00 2.45 H new ATOM 0 HG13 VAL A 18 0.357 0.847 10.085 1.00 2.45 H new ATOM 0 HG21 VAL A 18 -2.085 -1.069 10.277 1.00 2.18 H new ATOM 0 HG22 VAL A 18 -1.272 -0.776 8.720 1.00 2.18 H new ATOM 0 HG23 VAL A 18 -1.432 -2.436 9.342 1.00 2.18 H new ATOM 254 N ALA A 19 3.339 -1.377 10.510 1.00 0.82 N ATOM 255 CA ALA A 19 4.703 -0.900 10.647 1.00 0.91 C ATOM 256 C ALA A 19 5.494 -1.161 9.363 1.00 0.90 C ATOM 257 O ALA A 19 6.113 -0.249 8.820 1.00 0.88 O ATOM 258 CB ALA A 19 5.367 -1.603 11.836 1.00 1.24 C ATOM 0 H ALA A 19 3.065 -2.048 11.228 1.00 0.82 H new ATOM 0 HA ALA A 19 4.691 0.175 10.824 1.00 0.91 H new ATOM 0 HB1 ALA A 19 6.392 -1.248 11.943 1.00 1.24 H new ATOM 0 HB2 ALA A 19 4.810 -1.382 12.747 1.00 1.24 H new ATOM 0 HB3 ALA A 19 5.372 -2.680 11.666 1.00 1.24 H new ATOM 264 N ASN A 20 5.472 -2.409 8.891 1.00 1.05 N ATOM 265 CA ASN A 20 6.228 -2.859 7.725 1.00 1.21 C ATOM 266 C ASN A 20 5.817 -2.031 6.512 1.00 1.08 C ATOM 267 O ASN A 20 6.649 -1.425 5.844 1.00 1.09 O ATOM 268 CB ASN A 20 6.005 -4.366 7.516 1.00 1.42 C ATOM 269 CG ASN A 20 6.219 -4.819 6.075 1.00 1.69 C ATOM 270 OD1 ASN A 20 7.321 -5.197 5.696 1.00 1.90 O ATOM 271 ND2 ASN A 20 5.159 -4.807 5.268 1.00 1.79 N ATOM 0 H ASN A 20 4.916 -3.149 9.319 1.00 1.05 H new ATOM 0 HA ASN A 20 7.297 -2.711 7.878 1.00 1.21 H new ATOM 0 HB2 ASN A 20 6.682 -4.919 8.167 1.00 1.42 H new ATOM 0 HB3 ASN A 20 4.990 -4.621 7.822 1.00 1.42 H new ATOM 0 HD21 ASN A 20 5.250 -5.119 4.301 1.00 1.79 H new ATOM 0 HD22 ASN A 20 4.256 -4.486 5.617 1.00 1.79 H new ATOM 278 N ILE A 21 4.515 -1.987 6.244 1.00 1.00 N ATOM 279 CA ILE A 21 3.898 -1.186 5.220 1.00 0.93 C ATOM 280 C ILE A 21 4.407 0.264 5.315 1.00 0.71 C ATOM 281 O ILE A 21 5.085 0.721 4.397 1.00 0.76 O ATOM 282 CB ILE A 21 2.379 -1.439 5.294 1.00 1.10 C ATOM 283 CG1 ILE A 21 2.115 -2.920 4.911 1.00 1.53 C ATOM 284 CG2 ILE A 21 1.644 -0.530 4.326 1.00 1.32 C ATOM 285 CD1 ILE A 21 0.754 -3.211 4.272 1.00 1.78 C ATOM 0 H ILE A 21 3.838 -2.541 6.768 1.00 1.00 H new ATOM 0 HA ILE A 21 4.178 -1.460 4.203 1.00 0.93 H new ATOM 0 HB ILE A 21 2.021 -1.232 6.303 1.00 1.10 H new ATOM 0 HG12 ILE A 21 2.895 -3.242 4.221 1.00 1.53 H new ATOM 0 HG13 ILE A 21 2.212 -3.530 5.809 1.00 1.53 H new ATOM 0 HG21 ILE A 21 0.573 -0.721 4.390 1.00 1.32 H new ATOM 0 HG22 ILE A 21 1.843 0.511 4.581 1.00 1.32 H new ATOM 0 HG23 ILE A 21 1.987 -0.726 3.310 1.00 1.32 H new ATOM 0 HD11 ILE A 21 0.678 -4.275 4.046 1.00 1.78 H new ATOM 0 HD12 ILE A 21 -0.040 -2.929 4.963 1.00 1.78 H new ATOM 0 HD13 ILE A 21 0.654 -2.636 3.351 1.00 1.78 H new ATOM 297 N GLU A 22 4.194 0.973 6.426 1.00 0.60 N ATOM 298 CA GLU A 22 4.740 2.318 6.575 1.00 0.65 C ATOM 299 C GLU A 22 6.228 2.408 6.202 1.00 0.71 C ATOM 300 O GLU A 22 6.611 3.185 5.325 1.00 0.84 O ATOM 301 CB GLU A 22 4.548 2.812 8.017 1.00 0.79 C ATOM 302 CG GLU A 22 3.498 3.917 8.168 1.00 1.39 C ATOM 303 CD GLU A 22 4.115 5.147 8.814 1.00 2.93 C ATOM 304 OE1 GLU A 22 4.608 5.034 9.961 1.00 3.72 O ATOM 305 OE2 GLU A 22 4.224 6.185 8.129 1.00 4.01 O ATOM 0 H GLU A 22 3.654 0.641 7.225 1.00 0.60 H new ATOM 0 HA GLU A 22 4.190 2.952 5.880 1.00 0.65 H new ATOM 0 HB2 GLU A 22 4.262 1.967 8.644 1.00 0.79 H new ATOM 0 HB3 GLU A 22 5.503 3.180 8.393 1.00 0.79 H new ATOM 0 HG2 GLU A 22 3.091 4.177 7.191 1.00 1.39 H new ATOM 0 HG3 GLU A 22 2.667 3.558 8.775 1.00 1.39 H new ATOM 312 N ARG A 23 7.066 1.640 6.907 1.00 0.77 N ATOM 313 CA ARG A 23 8.512 1.656 6.719 1.00 1.04 C ATOM 314 C ARG A 23 8.872 1.398 5.252 1.00 1.10 C ATOM 315 O ARG A 23 9.802 2.013 4.736 1.00 1.30 O ATOM 316 CB ARG A 23 9.189 0.614 7.623 1.00 1.23 C ATOM 317 CG ARG A 23 9.723 1.139 8.966 1.00 1.50 C ATOM 318 CD ARG A 23 8.674 1.641 9.974 1.00 2.82 C ATOM 319 NE ARG A 23 8.459 3.094 9.884 1.00 3.60 N ATOM 320 CZ ARG A 23 7.322 3.741 10.191 1.00 5.20 C ATOM 321 NH1 ARG A 23 6.249 3.099 10.660 1.00 6.13 N ATOM 322 NH2 ARG A 23 7.218 5.056 10.001 1.00 6.53 N ATOM 0 H ARG A 23 6.754 0.988 7.627 1.00 0.77 H new ATOM 0 HA ARG A 23 8.877 2.645 6.996 1.00 1.04 H new ATOM 0 HB2 ARG A 23 8.474 -0.184 7.825 1.00 1.23 H new ATOM 0 HB3 ARG A 23 10.018 0.168 7.073 1.00 1.23 H new ATOM 0 HG2 ARG A 23 10.297 0.343 9.439 1.00 1.50 H new ATOM 0 HG3 ARG A 23 10.417 1.954 8.762 1.00 1.50 H new ATOM 0 HD2 ARG A 23 7.730 1.125 9.799 1.00 2.82 H new ATOM 0 HD3 ARG A 23 8.994 1.386 10.984 1.00 2.82 H new ATOM 0 HE ARG A 23 9.243 3.660 9.560 1.00 3.60 H new ATOM 0 HH11 ARG A 23 6.278 2.088 10.795 1.00 6.13 H new ATOM 0 HH12 ARG A 23 5.401 3.619 10.884 1.00 6.13 H new ATOM 0 HH21 ARG A 23 8.006 5.580 9.620 1.00 6.53 H new ATOM 0 HH22 ARG A 23 6.351 5.538 10.237 1.00 6.53 H new ATOM 336 N ASN A 24 8.157 0.492 4.579 1.00 1.07 N ATOM 337 CA ASN A 24 8.427 0.223 3.174 1.00 1.26 C ATOM 338 C ASN A 24 8.112 1.477 2.376 1.00 1.17 C ATOM 339 O ASN A 24 8.950 1.944 1.611 1.00 1.38 O ATOM 340 CB ASN A 24 7.513 -0.832 2.554 1.00 1.51 C ATOM 341 CG ASN A 24 7.645 -2.288 2.931 1.00 2.20 C ATOM 342 OD1 ASN A 24 8.650 -2.931 2.657 1.00 3.13 O ATOM 343 ND2 ASN A 24 6.507 -2.826 3.353 1.00 2.50 N ATOM 0 H ASN A 24 7.398 -0.058 4.982 1.00 1.07 H new ATOM 0 HA ASN A 24 9.464 -0.111 3.138 1.00 1.26 H new ATOM 0 HB2 ASN A 24 6.487 -0.536 2.774 1.00 1.51 H new ATOM 0 HB3 ASN A 24 7.638 -0.769 1.473 1.00 1.51 H new ATOM 0 HD21 ASN A 24 6.432 -3.837 3.467 1.00 2.50 H new ATOM 0 HD22 ASN A 24 5.708 -2.228 3.563 1.00 2.50 H new ATOM 350 N LEU A 25 6.852 1.917 2.425 1.00 0.93 N ATOM 351 CA LEU A 25 6.319 2.822 1.438 1.00 0.85 C ATOM 352 C LEU A 25 6.851 4.246 1.622 1.00 0.89 C ATOM 353 O LEU A 25 7.180 4.903 0.636 1.00 1.15 O ATOM 354 CB LEU A 25 4.784 2.733 1.410 1.00 0.82 C ATOM 355 CG LEU A 25 4.169 1.430 0.838 1.00 1.17 C ATOM 356 CD1 LEU A 25 5.051 0.538 -0.035 1.00 1.75 C ATOM 357 CD2 LEU A 25 3.697 0.450 1.899 1.00 2.43 C ATOM 0 H LEU A 25 6.187 1.650 3.151 1.00 0.93 H new ATOM 0 HA LEU A 25 6.671 2.516 0.453 1.00 0.85 H new ATOM 0 HB2 LEU A 25 4.418 2.863 2.428 1.00 0.82 H new ATOM 0 HB3 LEU A 25 4.406 3.572 0.826 1.00 0.82 H new ATOM 0 HG LEU A 25 3.379 1.893 0.247 1.00 1.17 H new ATOM 0 HD11 LEU A 25 4.481 -0.333 -0.358 1.00 1.75 H new ATOM 0 HD12 LEU A 25 5.384 1.099 -0.909 1.00 1.75 H new ATOM 0 HD13 LEU A 25 5.918 0.211 0.538 1.00 1.75 H new ATOM 0 HD21 LEU A 25 3.280 -0.435 1.418 1.00 2.43 H new ATOM 0 HD22 LEU A 25 4.540 0.159 2.526 1.00 2.43 H new ATOM 0 HD23 LEU A 25 2.932 0.922 2.516 1.00 2.43 H new ATOM 369 N ARG A 26 6.932 4.755 2.859 1.00 0.90 N ATOM 370 CA ARG A 26 7.013 6.162 3.120 1.00 1.34 C ATOM 371 C ARG A 26 8.330 6.774 2.634 1.00 1.95 C ATOM 372 O ARG A 26 8.427 7.989 2.488 1.00 2.57 O ATOM 373 CB ARG A 26 6.801 6.376 4.632 1.00 1.61 C ATOM 374 CG ARG A 26 6.176 7.751 4.781 1.00 2.77 C ATOM 375 CD ARG A 26 6.575 8.530 6.039 1.00 3.54 C ATOM 376 NE ARG A 26 5.906 8.041 7.256 1.00 4.75 N ATOM 377 CZ ARG A 26 5.972 8.646 8.451 1.00 5.82 C ATOM 378 NH1 ARG A 26 6.740 9.729 8.615 1.00 5.85 N ATOM 379 NH2 ARG A 26 5.268 8.157 9.473 1.00 7.42 N ATOM 0 H ARG A 26 6.942 4.179 3.701 1.00 0.90 H new ATOM 0 HA ARG A 26 6.235 6.679 2.558 1.00 1.34 H new ATOM 0 HB2 ARG A 26 6.151 5.606 5.047 1.00 1.61 H new ATOM 0 HB3 ARG A 26 7.747 6.318 5.170 1.00 1.61 H new ATOM 0 HG2 ARG A 26 6.441 8.347 3.908 1.00 2.77 H new ATOM 0 HG3 ARG A 26 5.092 7.640 4.774 1.00 2.77 H new ATOM 0 HD2 ARG A 26 7.655 8.464 6.173 1.00 3.54 H new ATOM 0 HD3 ARG A 26 6.335 9.584 5.898 1.00 3.54 H new ATOM 0 HE ARG A 26 5.356 7.185 7.185 1.00 4.75 H new ATOM 0 HH11 ARG A 26 7.277 10.097 7.830 1.00 5.85 H new ATOM 0 HH12 ARG A 26 6.788 10.187 9.525 1.00 5.85 H new ATOM 0 HH21 ARG A 26 4.686 7.330 9.342 1.00 7.42 H new ATOM 0 HH22 ARG A 26 5.312 8.610 10.386 1.00 7.42 H new ATOM 393 N ARG A 27 9.344 5.936 2.420 1.00 2.18 N ATOM 394 CA ARG A 27 10.668 6.354 2.004 1.00 2.94 C ATOM 395 C ARG A 27 10.614 7.372 0.867 1.00 2.86 C ATOM 396 O ARG A 27 11.108 8.488 1.010 1.00 3.78 O ATOM 397 CB ARG A 27 11.460 5.129 1.549 1.00 3.44 C ATOM 398 CG ARG A 27 11.590 4.040 2.612 1.00 3.65 C ATOM 399 CD ARG A 27 12.444 2.915 2.014 1.00 4.17 C ATOM 400 NE ARG A 27 11.581 2.063 1.187 1.00 4.83 N ATOM 401 CZ ARG A 27 11.387 2.068 -0.142 1.00 5.66 C ATOM 402 NH1 ARG A 27 12.174 2.691 -1.017 1.00 5.72 N ATOM 403 NH2 ARG A 27 10.302 1.457 -0.606 1.00 6.94 N ATOM 0 H ARG A 27 9.258 4.926 2.536 1.00 2.18 H new ATOM 0 HA ARG A 27 11.153 6.831 2.855 1.00 2.94 H new ATOM 0 HB2 ARG A 27 10.979 4.706 0.667 1.00 3.44 H new ATOM 0 HB3 ARG A 27 12.458 5.447 1.246 1.00 3.44 H new ATOM 0 HG2 ARG A 27 12.056 4.438 3.514 1.00 3.65 H new ATOM 0 HG3 ARG A 27 10.608 3.665 2.899 1.00 3.65 H new ATOM 0 HD2 ARG A 27 13.252 3.332 1.413 1.00 4.17 H new ATOM 0 HD3 ARG A 27 12.907 2.328 2.808 1.00 4.17 H new ATOM 0 HE ARG A 27 11.048 1.361 1.699 1.00 4.83 H new ATOM 0 HH11 ARG A 27 12.989 3.210 -0.690 1.00 5.72 H new ATOM 0 HH12 ARG A 27 11.962 2.649 -2.014 1.00 5.72 H new ATOM 0 HH21 ARG A 27 9.654 1.007 0.041 1.00 6.94 H new ATOM 0 HH22 ARG A 27 10.117 1.438 -1.609 1.00 6.94 H new ATOM 417 N GLU A 28 10.049 6.955 -0.270 1.00 2.16 N ATOM 418 CA GLU A 28 10.328 7.622 -1.540 1.00 2.68 C ATOM 419 C GLU A 28 9.519 7.094 -2.716 1.00 1.75 C ATOM 420 O GLU A 28 9.806 7.372 -3.880 1.00 2.75 O ATOM 421 CB GLU A 28 11.841 7.511 -1.833 1.00 4.21 C ATOM 422 CG GLU A 28 12.278 6.033 -1.917 1.00 4.66 C ATOM 423 CD GLU A 28 13.681 5.777 -1.383 1.00 6.17 C ATOM 424 OE1 GLU A 28 14.558 6.633 -1.619 1.00 7.10 O ATOM 425 OE2 GLU A 28 13.837 4.715 -0.734 1.00 6.68 O ATOM 0 H GLU A 28 9.403 6.168 -0.335 1.00 2.16 H new ATOM 0 HA GLU A 28 10.023 8.662 -1.429 1.00 2.68 H new ATOM 0 HB2 GLU A 28 12.072 8.017 -2.771 1.00 4.21 H new ATOM 0 HB3 GLU A 28 12.405 8.017 -1.050 1.00 4.21 H new ATOM 0 HG2 GLU A 28 11.569 5.422 -1.358 1.00 4.66 H new ATOM 0 HG3 GLU A 28 12.230 5.708 -2.956 1.00 4.66 H new ATOM 432 N GLU A 29 8.498 6.305 -2.423 1.00 2.05 N ATOM 433 CA GLU A 29 8.168 5.196 -3.292 1.00 2.90 C ATOM 434 C GLU A 29 6.981 5.588 -4.162 1.00 2.54 C ATOM 435 O GLU A 29 5.926 4.958 -4.165 1.00 3.31 O ATOM 436 CB GLU A 29 7.993 3.982 -2.379 1.00 4.58 C ATOM 437 CG GLU A 29 8.159 2.647 -3.116 1.00 5.55 C ATOM 438 CD GLU A 29 9.523 2.518 -3.785 1.00 5.31 C ATOM 439 OE1 GLU A 29 10.505 2.346 -3.025 1.00 5.40 O ATOM 440 OE2 GLU A 29 9.564 2.605 -5.027 1.00 5.69 O ATOM 0 H GLU A 29 7.896 6.411 -1.606 1.00 2.05 H new ATOM 0 HA GLU A 29 8.938 4.930 -4.016 1.00 2.90 H new ATOM 0 HB2 GLU A 29 8.720 4.036 -1.569 1.00 4.58 H new ATOM 0 HB3 GLU A 29 7.004 4.018 -1.922 1.00 4.58 H new ATOM 0 HG2 GLU A 29 8.024 1.827 -2.411 1.00 5.55 H new ATOM 0 HG3 GLU A 29 7.377 2.551 -3.870 1.00 5.55 H new ATOM 447 N GLY A 30 7.152 6.730 -4.834 1.00 1.69 N ATOM 448 CA GLY A 30 6.115 7.402 -5.600 1.00 1.26 C ATOM 449 C GLY A 30 4.878 7.755 -4.769 1.00 0.87 C ATOM 450 O GLY A 30 3.858 8.121 -5.346 1.00 0.87 O ATOM 0 H GLY A 30 8.045 7.222 -4.857 1.00 1.69 H new ATOM 0 HA2 GLY A 30 6.526 8.314 -6.032 1.00 1.26 H new ATOM 0 HA3 GLY A 30 5.815 6.763 -6.431 1.00 1.26 H new ATOM 454 N ILE A 31 4.939 7.665 -3.437 1.00 0.79 N ATOM 455 CA ILE A 31 3.817 7.930 -2.548 1.00 0.74 C ATOM 456 C ILE A 31 3.710 9.428 -2.245 1.00 0.85 C ATOM 457 O ILE A 31 4.696 10.148 -2.368 1.00 1.22 O ATOM 458 CB ILE A 31 3.960 7.124 -1.243 1.00 1.11 C ATOM 459 CG1 ILE A 31 5.372 7.021 -0.651 1.00 2.35 C ATOM 460 CG2 ILE A 31 3.437 5.688 -1.396 1.00 1.75 C ATOM 461 CD1 ILE A 31 6.111 8.338 -0.405 1.00 4.57 C ATOM 0 H ILE A 31 5.790 7.400 -2.942 1.00 0.79 H new ATOM 0 HA ILE A 31 2.901 7.616 -3.049 1.00 0.74 H new ATOM 0 HB ILE A 31 3.360 7.715 -0.551 1.00 1.11 H new ATOM 0 HG12 ILE A 31 5.306 6.486 0.296 1.00 2.35 H new ATOM 0 HG13 ILE A 31 5.978 6.410 -1.320 1.00 2.35 H new ATOM 0 HG21 ILE A 31 3.557 5.155 -0.453 1.00 1.75 H new ATOM 0 HG22 ILE A 31 2.382 5.712 -1.668 1.00 1.75 H new ATOM 0 HG23 ILE A 31 4.001 5.177 -2.176 1.00 1.75 H new ATOM 0 HD11 ILE A 31 7.095 8.130 0.014 1.00 4.57 H new ATOM 0 HD12 ILE A 31 6.224 8.874 -1.348 1.00 4.57 H new ATOM 0 HD13 ILE A 31 5.541 8.950 0.294 1.00 4.57 H new ATOM 473 N TYR A 32 2.543 9.878 -1.762 1.00 0.76 N ATOM 474 CA TYR A 32 2.497 10.979 -0.802 1.00 0.82 C ATOM 475 C TYR A 32 1.336 10.817 0.192 1.00 0.77 C ATOM 476 O TYR A 32 0.637 11.761 0.553 1.00 0.91 O ATOM 477 CB TYR A 32 2.299 12.301 -1.532 1.00 1.05 C ATOM 478 CG TYR A 32 3.381 12.724 -2.504 1.00 1.18 C ATOM 479 CD1 TYR A 32 4.546 13.354 -2.030 1.00 1.78 C ATOM 480 CD2 TYR A 32 3.245 12.444 -3.878 1.00 2.20 C ATOM 481 CE1 TYR A 32 5.571 13.703 -2.926 1.00 2.20 C ATOM 482 CE2 TYR A 32 4.273 12.787 -4.772 1.00 2.66 C ATOM 483 CZ TYR A 32 5.442 13.405 -4.292 1.00 2.32 C ATOM 484 OH TYR A 32 6.445 13.740 -5.152 1.00 3.00 O ATOM 0 H TYR A 32 1.632 9.499 -2.019 1.00 0.76 H new ATOM 0 HA TYR A 32 3.443 10.969 -0.260 1.00 0.82 H new ATOM 0 HB2 TYR A 32 1.357 12.248 -2.078 1.00 1.05 H new ATOM 0 HB3 TYR A 32 2.191 13.087 -0.784 1.00 1.05 H new ATOM 0 HD1 TYR A 32 4.653 13.570 -0.977 1.00 1.78 H new ATOM 0 HD2 TYR A 32 2.349 11.965 -4.245 1.00 2.20 H new ATOM 0 HE1 TYR A 32 6.458 14.201 -2.564 1.00 2.20 H new ATOM 0 HE2 TYR A 32 4.166 12.577 -5.826 1.00 2.66 H new ATOM 0 HH TYR A 32 6.202 13.465 -6.061 1.00 3.00 H new ATOM 494 N SER A 33 1.210 9.609 0.708 1.00 0.69 N ATOM 495 CA SER A 33 0.621 9.159 1.968 1.00 0.82 C ATOM 496 C SER A 33 1.136 7.731 2.165 1.00 0.83 C ATOM 497 O SER A 33 1.757 7.201 1.247 1.00 1.16 O ATOM 498 CB SER A 33 -0.916 9.185 1.941 1.00 0.95 C ATOM 499 OG SER A 33 -1.398 10.504 1.752 1.00 2.04 O ATOM 0 H SER A 33 1.565 8.808 0.186 1.00 0.69 H new ATOM 0 HA SER A 33 0.905 9.821 2.786 1.00 0.82 H new ATOM 0 HB2 SER A 33 -1.280 8.543 1.139 1.00 0.95 H new ATOM 0 HB3 SER A 33 -1.307 8.782 2.875 1.00 0.95 H new ATOM 0 HG SER A 33 -0.642 11.110 1.604 1.00 2.04 H new ATOM 505 N ILE A 34 0.831 7.074 3.287 1.00 0.99 N ATOM 506 CA ILE A 34 0.922 5.622 3.353 1.00 0.87 C ATOM 507 C ILE A 34 -0.478 5.012 3.314 1.00 1.29 C ATOM 508 O ILE A 34 -1.416 5.473 3.961 1.00 1.83 O ATOM 509 CB ILE A 34 1.748 5.139 4.557 1.00 1.12 C ATOM 510 CG1 ILE A 34 1.238 5.693 5.901 1.00 1.90 C ATOM 511 CG2 ILE A 34 3.229 5.467 4.337 1.00 0.89 C ATOM 512 CD1 ILE A 34 0.397 4.633 6.612 1.00 2.10 C ATOM 0 H ILE A 34 0.523 7.522 4.150 1.00 0.99 H new ATOM 0 HA ILE A 34 1.466 5.273 2.476 1.00 0.87 H new ATOM 0 HB ILE A 34 1.628 4.058 4.623 1.00 1.12 H new ATOM 0 HG12 ILE A 34 2.081 5.983 6.529 1.00 1.90 H new ATOM 0 HG13 ILE A 34 0.642 6.590 5.733 1.00 1.90 H new ATOM 0 HG21 ILE A 34 3.809 5.123 5.193 1.00 0.89 H new ATOM 0 HG22 ILE A 34 3.582 4.968 3.435 1.00 0.89 H new ATOM 0 HG23 ILE A 34 3.350 6.545 4.226 1.00 0.89 H new ATOM 0 HD11 ILE A 34 0.039 5.030 7.562 1.00 2.10 H new ATOM 0 HD12 ILE A 34 -0.454 4.364 5.987 1.00 2.10 H new ATOM 0 HD13 ILE A 34 1.006 3.748 6.795 1.00 2.10 H new ATOM 524 N LEU A 35 -0.581 3.931 2.552 1.00 1.36 N ATOM 525 CA LEU A 35 -1.727 3.130 2.254 1.00 2.00 C ATOM 526 C LEU A 35 -2.067 2.204 3.421 1.00 1.39 C ATOM 527 O LEU A 35 -2.009 0.986 3.310 1.00 1.48 O ATOM 528 CB LEU A 35 -1.404 2.433 0.917 1.00 2.96 C ATOM 529 CG LEU A 35 -0.409 1.267 1.003 1.00 3.69 C ATOM 530 CD1 LEU A 35 0.278 0.889 -0.316 1.00 4.12 C ATOM 531 CD2 LEU A 35 0.727 1.475 1.992 1.00 4.50 C ATOM 0 H LEU A 35 0.245 3.564 2.079 1.00 1.36 H new ATOM 0 HA LEU A 35 -2.643 3.708 2.132 1.00 2.00 H new ATOM 0 HB2 LEU A 35 -2.334 2.063 0.486 1.00 2.96 H new ATOM 0 HB3 LEU A 35 -1.007 3.177 0.226 1.00 2.96 H new ATOM 0 HG LEU A 35 -1.079 0.471 1.328 1.00 3.69 H new ATOM 0 HD11 LEU A 35 0.960 0.056 -0.145 1.00 4.12 H new ATOM 0 HD12 LEU A 35 -0.475 0.598 -1.048 1.00 4.12 H new ATOM 0 HD13 LEU A 35 0.838 1.745 -0.693 1.00 4.12 H new ATOM 0 HD21 LEU A 35 1.379 0.602 1.986 1.00 4.50 H new ATOM 0 HD22 LEU A 35 1.300 2.358 1.708 1.00 4.50 H new ATOM 0 HD23 LEU A 35 0.317 1.615 2.992 1.00 4.50 H new ATOM 543 N VAL A 36 -2.482 2.774 4.552 1.00 1.06 N ATOM 544 CA VAL A 36 -3.046 1.995 5.639 1.00 0.65 C ATOM 545 C VAL A 36 -4.301 2.666 6.164 1.00 0.73 C ATOM 546 O VAL A 36 -4.347 3.881 6.328 1.00 1.41 O ATOM 547 CB VAL A 36 -1.997 1.768 6.735 1.00 0.70 C ATOM 548 CG1 VAL A 36 -2.634 1.342 8.056 1.00 0.89 C ATOM 549 CG2 VAL A 36 -1.060 0.660 6.255 1.00 0.78 C ATOM 0 H VAL A 36 -2.435 3.777 4.734 1.00 1.06 H new ATOM 0 HA VAL A 36 -3.336 1.011 5.270 1.00 0.65 H new ATOM 0 HB VAL A 36 -1.464 2.702 6.913 1.00 0.70 H new ATOM 0 HG11 VAL A 36 -1.855 1.192 8.804 1.00 0.89 H new ATOM 0 HG12 VAL A 36 -3.319 2.118 8.396 1.00 0.89 H new ATOM 0 HG13 VAL A 36 -3.183 0.411 7.912 1.00 0.89 H new ATOM 0 HG21 VAL A 36 -0.299 0.473 7.013 1.00 0.78 H new ATOM 0 HG22 VAL A 36 -1.633 -0.251 6.083 1.00 0.78 H new ATOM 0 HG23 VAL A 36 -0.579 0.967 5.326 1.00 0.78 H new ATOM 559 N ALA A 37 -5.287 1.829 6.478 1.00 0.58 N ATOM 560 CA ALA A 37 -6.417 2.160 7.308 1.00 0.69 C ATOM 561 C ALA A 37 -6.775 0.831 7.959 1.00 0.68 C ATOM 562 O ALA A 37 -7.817 0.246 7.678 1.00 0.69 O ATOM 563 CB ALA A 37 -7.546 2.752 6.460 1.00 0.76 C ATOM 0 H ALA A 37 -5.311 0.866 6.142 1.00 0.58 H new ATOM 0 HA ALA A 37 -6.216 2.925 8.058 1.00 0.69 H new ATOM 0 HB1 ALA A 37 -8.393 2.997 7.101 1.00 0.76 H new ATOM 0 HB2 ALA A 37 -7.193 3.656 5.964 1.00 0.76 H new ATOM 0 HB3 ALA A 37 -7.857 2.025 5.710 1.00 0.76 H new ATOM 569 N LEU A 38 -5.858 0.309 8.779 1.00 0.74 N ATOM 570 CA LEU A 38 -5.990 -1.014 9.371 1.00 0.78 C ATOM 571 C LEU A 38 -7.280 -1.051 10.197 1.00 0.92 C ATOM 572 O LEU A 38 -8.086 -1.961 10.034 1.00 1.15 O ATOM 573 CB LEU A 38 -4.676 -1.395 10.091 1.00 1.04 C ATOM 574 CG LEU A 38 -4.505 -2.843 10.585 1.00 1.99 C ATOM 575 CD1 LEU A 38 -3.692 -2.882 11.888 1.00 2.61 C ATOM 576 CD2 LEU A 38 -5.810 -3.601 10.808 1.00 3.17 C ATOM 0 H LEU A 38 -5.004 0.797 9.048 1.00 0.74 H new ATOM 0 HA LEU A 38 -6.112 -1.804 8.631 1.00 0.78 H new ATOM 0 HB2 LEU A 38 -3.851 -1.176 9.414 1.00 1.04 H new ATOM 0 HB3 LEU A 38 -4.566 -0.735 10.952 1.00 1.04 H new ATOM 0 HG LEU A 38 -3.979 -3.347 9.774 1.00 1.99 H new ATOM 0 HD11 LEU A 38 -3.584 -3.915 12.219 1.00 2.61 H new ATOM 0 HD12 LEU A 38 -2.706 -2.451 11.715 1.00 2.61 H new ATOM 0 HD13 LEU A 38 -4.209 -2.307 12.657 1.00 2.61 H new ATOM 0 HD21 LEU A 38 -5.590 -4.611 11.155 1.00 3.17 H new ATOM 0 HD22 LEU A 38 -6.409 -3.082 11.557 1.00 3.17 H new ATOM 0 HD23 LEU A 38 -6.366 -3.652 9.872 1.00 3.17 H new ATOM 588 N MET A 39 -7.549 0.006 10.969 1.00 1.13 N ATOM 589 CA MET A 39 -8.836 0.217 11.631 1.00 1.22 C ATOM 590 C MET A 39 -10.036 -0.069 10.708 1.00 1.19 C ATOM 591 O MET A 39 -11.049 -0.589 11.168 1.00 1.38 O ATOM 592 CB MET A 39 -8.912 1.659 12.152 1.00 1.44 C ATOM 593 CG MET A 39 -7.926 1.931 13.295 1.00 2.61 C ATOM 594 SD MET A 39 -8.017 3.617 13.948 1.00 2.99 S ATOM 595 CE MET A 39 -6.781 3.522 15.261 1.00 4.54 C ATOM 0 H MET A 39 -6.871 0.746 11.153 1.00 1.13 H new ATOM 0 HA MET A 39 -8.896 -0.491 12.458 1.00 1.22 H new ATOM 0 HB2 MET A 39 -8.709 2.348 11.332 1.00 1.44 H new ATOM 0 HB3 MET A 39 -9.926 1.863 12.497 1.00 1.44 H new ATOM 0 HG2 MET A 39 -8.118 1.226 14.104 1.00 2.61 H new ATOM 0 HG3 MET A 39 -6.912 1.742 12.942 1.00 2.61 H new ATOM 0 HE1 MET A 39 -6.712 4.485 15.766 1.00 4.54 H new ATOM 0 HE2 MET A 39 -7.071 2.755 15.979 1.00 4.54 H new ATOM 0 HE3 MET A 39 -5.812 3.268 14.831 1.00 4.54 H new ATOM 605 N ALA A 40 -9.928 0.283 9.423 1.00 1.23 N ATOM 606 CA ALA A 40 -10.967 0.085 8.422 1.00 1.35 C ATOM 607 C ALA A 40 -10.754 -1.181 7.582 1.00 1.28 C ATOM 608 O ALA A 40 -11.655 -1.548 6.828 1.00 1.92 O ATOM 609 CB ALA A 40 -11.052 1.321 7.524 1.00 1.58 C ATOM 0 H ALA A 40 -9.090 0.725 9.046 1.00 1.23 H new ATOM 0 HA ALA A 40 -11.910 -0.055 8.951 1.00 1.35 H new ATOM 0 HB1 ALA A 40 -11.830 1.173 6.774 1.00 1.58 H new ATOM 0 HB2 ALA A 40 -11.293 2.195 8.129 1.00 1.58 H new ATOM 0 HB3 ALA A 40 -10.094 1.477 7.027 1.00 1.58 H new ATOM 615 N GLY A 41 -9.599 -1.857 7.665 1.00 0.81 N ATOM 616 CA GLY A 41 -9.403 -3.129 7.009 1.00 0.88 C ATOM 617 C GLY A 41 -8.912 -2.935 5.579 1.00 0.83 C ATOM 618 O GLY A 41 -9.338 -3.678 4.695 1.00 1.03 O ATOM 0 H GLY A 41 -8.788 -1.528 8.189 1.00 0.81 H new ATOM 0 HA2 GLY A 41 -8.680 -3.723 7.568 1.00 0.88 H new ATOM 0 HA3 GLY A 41 -10.339 -3.688 7.004 1.00 0.88 H new ATOM 622 N LYS A 42 -8.056 -1.935 5.314 1.00 0.62 N ATOM 623 CA LYS A 42 -7.659 -1.635 3.962 1.00 0.64 C ATOM 624 C LYS A 42 -6.397 -0.786 3.960 1.00 0.51 C ATOM 625 O LYS A 42 -5.873 -0.423 5.016 1.00 0.42 O ATOM 626 CB LYS A 42 -8.832 -1.000 3.212 1.00 0.91 C ATOM 627 CG LYS A 42 -9.386 0.255 3.891 1.00 1.67 C ATOM 628 CD LYS A 42 -10.853 0.484 3.500 1.00 1.87 C ATOM 629 CE LYS A 42 -11.015 0.908 2.031 1.00 2.77 C ATOM 630 NZ LYS A 42 -12.245 0.362 1.421 1.00 3.41 N ATOM 0 H LYS A 42 -7.638 -1.334 6.024 1.00 0.62 H new ATOM 0 HA LYS A 42 -7.405 -2.550 3.427 1.00 0.64 H new ATOM 0 HB2 LYS A 42 -8.511 -0.745 2.202 1.00 0.91 H new ATOM 0 HB3 LYS A 42 -9.632 -1.734 3.117 1.00 0.91 H new ATOM 0 HG2 LYS A 42 -9.305 0.154 4.973 1.00 1.67 H new ATOM 0 HG3 LYS A 42 -8.789 1.122 3.606 1.00 1.67 H new ATOM 0 HD2 LYS A 42 -11.419 -0.431 3.674 1.00 1.87 H new ATOM 0 HD3 LYS A 42 -11.281 1.251 4.145 1.00 1.87 H new ATOM 0 HE2 LYS A 42 -11.034 1.996 1.969 1.00 2.77 H new ATOM 0 HE3 LYS A 42 -10.149 0.571 1.461 1.00 2.77 H new ATOM 0 HZ1 LYS A 42 -12.569 0.997 0.664 1.00 3.41 H new ATOM 0 HZ2 LYS A 42 -12.047 -0.578 1.023 1.00 3.41 H new ATOM 0 HZ3 LYS A 42 -12.986 0.282 2.146 1.00 3.41 H new ATOM 644 N ALA A 43 -5.942 -0.488 2.748 1.00 0.88 N ATOM 645 CA ALA A 43 -4.838 0.370 2.400 1.00 0.81 C ATOM 646 C ALA A 43 -5.363 1.537 1.556 1.00 0.80 C ATOM 647 O ALA A 43 -6.155 1.328 0.635 1.00 0.87 O ATOM 648 CB ALA A 43 -3.827 -0.479 1.627 1.00 1.00 C ATOM 0 H ALA A 43 -6.383 -0.881 1.916 1.00 0.88 H new ATOM 0 HA ALA A 43 -4.354 0.791 3.281 1.00 0.81 H new ATOM 0 HB1 ALA A 43 -2.974 0.138 1.345 1.00 1.00 H new ATOM 0 HB2 ALA A 43 -3.488 -1.302 2.255 1.00 1.00 H new ATOM 0 HB3 ALA A 43 -4.298 -0.878 0.729 1.00 1.00 H new ATOM 654 N GLU A 44 -4.952 2.767 1.889 1.00 0.82 N ATOM 655 CA GLU A 44 -5.468 3.989 1.287 1.00 1.05 C ATOM 656 C GLU A 44 -4.353 4.866 0.729 1.00 1.20 C ATOM 657 O GLU A 44 -3.870 5.787 1.386 1.00 1.83 O ATOM 658 CB GLU A 44 -6.377 4.689 2.309 1.00 1.27 C ATOM 659 CG GLU A 44 -7.104 5.911 1.733 1.00 1.83 C ATOM 660 CD GLU A 44 -8.184 6.443 2.670 1.00 1.96 C ATOM 661 OE1 GLU A 44 -8.389 5.836 3.739 1.00 2.39 O ATOM 662 OE2 GLU A 44 -8.846 7.424 2.257 1.00 2.86 O ATOM 0 H GLU A 44 -4.238 2.937 2.598 1.00 0.82 H new ATOM 0 HA GLU A 44 -6.074 3.753 0.413 1.00 1.05 H new ATOM 0 HB2 GLU A 44 -7.114 3.976 2.678 1.00 1.27 H new ATOM 0 HB3 GLU A 44 -5.778 5.000 3.165 1.00 1.27 H new ATOM 0 HG2 GLU A 44 -6.379 6.700 1.534 1.00 1.83 H new ATOM 0 HG3 GLU A 44 -7.556 5.644 0.778 1.00 1.83 H new ATOM 669 N VAL A 45 -3.907 4.547 -0.487 1.00 0.87 N ATOM 670 CA VAL A 45 -2.732 5.120 -1.066 1.00 0.86 C ATOM 671 C VAL A 45 -3.057 6.471 -1.704 1.00 0.84 C ATOM 672 O VAL A 45 -4.040 6.609 -2.433 1.00 0.93 O ATOM 673 CB VAL A 45 -2.159 4.085 -2.049 1.00 0.93 C ATOM 674 CG1 VAL A 45 -2.947 3.873 -3.343 1.00 1.57 C ATOM 675 CG2 VAL A 45 -0.735 4.478 -2.364 1.00 1.43 C ATOM 0 H VAL A 45 -4.373 3.871 -1.092 1.00 0.87 H new ATOM 0 HA VAL A 45 -1.971 5.339 -0.317 1.00 0.86 H new ATOM 0 HB VAL A 45 -2.226 3.121 -1.545 1.00 0.93 H new ATOM 0 HG11 VAL A 45 -2.447 3.122 -3.955 1.00 1.57 H new ATOM 0 HG12 VAL A 45 -3.955 3.534 -3.104 1.00 1.57 H new ATOM 0 HG13 VAL A 45 -3.001 4.812 -3.894 1.00 1.57 H new ATOM 0 HG21 VAL A 45 -0.305 3.759 -3.061 1.00 1.43 H new ATOM 0 HG22 VAL A 45 -0.723 5.471 -2.814 1.00 1.43 H new ATOM 0 HG23 VAL A 45 -0.149 4.489 -1.445 1.00 1.43 H new ATOM 685 N ARG A 46 -2.198 7.459 -1.436 1.00 0.77 N ATOM 686 CA ARG A 46 -2.046 8.657 -2.242 1.00 0.65 C ATOM 687 C ARG A 46 -0.647 8.529 -2.830 1.00 0.58 C ATOM 688 O ARG A 46 0.292 8.250 -2.085 1.00 0.70 O ATOM 689 CB ARG A 46 -2.184 9.912 -1.377 1.00 0.65 C ATOM 690 CG ARG A 46 -2.081 11.197 -2.205 1.00 0.87 C ATOM 691 CD ARG A 46 -2.194 12.445 -1.318 1.00 1.17 C ATOM 692 NE ARG A 46 -3.587 12.756 -0.955 1.00 2.14 N ATOM 693 CZ ARG A 46 -4.166 12.607 0.250 1.00 2.99 C ATOM 694 NH1 ARG A 46 -3.587 11.907 1.230 1.00 3.41 N ATOM 695 NH2 ARG A 46 -5.357 13.176 0.473 1.00 4.26 N ATOM 0 H ARG A 46 -1.575 7.439 -0.628 1.00 0.77 H new ATOM 0 HA ARG A 46 -2.808 8.751 -3.015 1.00 0.65 H new ATOM 0 HB2 ARG A 46 -3.143 9.891 -0.859 1.00 0.65 H new ATOM 0 HB3 ARG A 46 -1.408 9.911 -0.612 1.00 0.65 H new ATOM 0 HG2 ARG A 46 -1.131 11.213 -2.739 1.00 0.87 H new ATOM 0 HG3 ARG A 46 -2.869 11.211 -2.958 1.00 0.87 H new ATOM 0 HD2 ARG A 46 -1.610 12.295 -0.410 1.00 1.17 H new ATOM 0 HD3 ARG A 46 -1.759 13.298 -1.839 1.00 1.17 H new ATOM 0 HE ARG A 46 -4.178 13.125 -1.700 1.00 2.14 H new ATOM 0 HH11 ARG A 46 -2.680 11.467 1.075 1.00 3.41 H new ATOM 0 HH12 ARG A 46 -4.052 11.813 2.133 1.00 3.41 H new ATOM 0 HH21 ARG A 46 -5.812 13.713 -0.265 1.00 4.26 H new ATOM 0 HH22 ARG A 46 -5.810 13.073 1.381 1.00 4.26 H new ATOM 709 N TYR A 47 -0.515 8.652 -4.147 1.00 0.51 N ATOM 710 CA TYR A 47 0.716 8.350 -4.860 1.00 0.52 C ATOM 711 C TYR A 47 0.721 9.087 -6.184 1.00 0.50 C ATOM 712 O TYR A 47 -0.273 9.720 -6.521 1.00 0.48 O ATOM 713 CB TYR A 47 0.860 6.835 -5.068 1.00 0.58 C ATOM 714 CG TYR A 47 -0.143 6.198 -6.019 1.00 0.52 C ATOM 715 CD1 TYR A 47 -1.520 6.187 -5.720 1.00 1.83 C ATOM 716 CD2 TYR A 47 0.320 5.510 -7.155 1.00 1.81 C ATOM 717 CE1 TYR A 47 -2.414 5.468 -6.530 1.00 1.78 C ATOM 718 CE2 TYR A 47 -0.561 4.720 -7.911 1.00 2.03 C ATOM 719 CZ TYR A 47 -1.926 4.683 -7.586 1.00 1.01 C ATOM 720 OH TYR A 47 -2.766 3.864 -8.278 1.00 1.45 O ATOM 0 H TYR A 47 -1.271 8.968 -4.754 1.00 0.51 H new ATOM 0 HA TYR A 47 1.569 8.683 -4.269 1.00 0.52 H new ATOM 0 HB2 TYR A 47 1.864 6.632 -5.440 1.00 0.58 H new ATOM 0 HB3 TYR A 47 0.775 6.345 -4.098 1.00 0.58 H new ATOM 0 HD1 TYR A 47 -1.889 6.734 -4.865 1.00 1.83 H new ATOM 0 HD2 TYR A 47 1.357 5.590 -7.447 1.00 1.81 H new ATOM 0 HE1 TYR A 47 -3.476 5.519 -6.340 1.00 1.78 H new ATOM 0 HE2 TYR A 47 -0.188 4.141 -8.743 1.00 2.03 H new ATOM 0 HH TYR A 47 -3.668 4.247 -8.280 1.00 1.45 H new ATOM 730 N ASN A 48 1.816 9.006 -6.936 1.00 0.56 N ATOM 731 CA ASN A 48 1.925 9.650 -8.242 1.00 0.58 C ATOM 732 C ASN A 48 2.250 8.610 -9.321 1.00 0.56 C ATOM 733 O ASN A 48 3.430 8.309 -9.527 1.00 0.68 O ATOM 734 CB ASN A 48 2.950 10.788 -8.203 1.00 0.77 C ATOM 735 CG ASN A 48 2.961 11.527 -9.539 1.00 1.58 C ATOM 736 OD1 ASN A 48 2.324 12.571 -9.700 1.00 2.76 O ATOM 737 ND2 ASN A 48 3.648 10.967 -10.526 1.00 2.39 N ATOM 0 H ASN A 48 2.652 8.492 -6.657 1.00 0.56 H new ATOM 0 HA ASN A 48 0.965 10.098 -8.499 1.00 0.58 H new ATOM 0 HB2 ASN A 48 2.706 11.480 -7.397 1.00 0.77 H new ATOM 0 HB3 ASN A 48 3.942 10.388 -7.991 1.00 0.77 H new ATOM 0 HD21 ASN A 48 3.659 11.400 -11.449 1.00 2.39 H new ATOM 0 HD22 ASN A 48 4.165 10.103 -10.362 1.00 2.39 H new ATOM 744 N PRO A 49 1.236 8.069 -10.022 1.00 0.69 N ATOM 745 CA PRO A 49 1.408 7.015 -11.013 1.00 0.84 C ATOM 746 C PRO A 49 2.090 7.523 -12.287 1.00 0.99 C ATOM 747 O PRO A 49 1.479 7.644 -13.343 1.00 1.46 O ATOM 748 CB PRO A 49 0.007 6.456 -11.268 1.00 1.02 C ATOM 749 CG PRO A 49 -0.915 7.630 -10.954 1.00 1.11 C ATOM 750 CD PRO A 49 -0.178 8.363 -9.837 1.00 0.95 C ATOM 0 HA PRO A 49 2.076 6.233 -10.652 1.00 0.84 H new ATOM 0 HB2 PRO A 49 -0.109 6.121 -12.299 1.00 1.02 H new ATOM 0 HB3 PRO A 49 -0.204 5.599 -10.629 1.00 1.02 H new ATOM 0 HG2 PRO A 49 -1.064 8.269 -11.825 1.00 1.11 H new ATOM 0 HG3 PRO A 49 -1.901 7.293 -10.633 1.00 1.11 H new ATOM 0 HD2 PRO A 49 -0.362 9.436 -9.888 1.00 0.95 H new ATOM 0 HD3 PRO A 49 -0.521 8.027 -8.858 1.00 0.95 H new ATOM 758 N ALA A 50 3.393 7.764 -12.172 1.00 0.94 N ATOM 759 CA ALA A 50 4.324 7.960 -13.272 1.00 1.12 C ATOM 760 C ALA A 50 5.662 7.389 -12.815 1.00 1.08 C ATOM 761 O ALA A 50 6.228 6.518 -13.467 1.00 1.29 O ATOM 762 CB ALA A 50 4.429 9.443 -13.639 1.00 1.22 C ATOM 0 H ALA A 50 3.848 7.831 -11.262 1.00 0.94 H new ATOM 0 HA ALA A 50 3.986 7.452 -14.175 1.00 1.12 H new ATOM 0 HB1 ALA A 50 5.131 9.565 -14.464 1.00 1.22 H new ATOM 0 HB2 ALA A 50 3.449 9.814 -13.939 1.00 1.22 H new ATOM 0 HB3 ALA A 50 4.782 10.007 -12.776 1.00 1.22 H new ATOM 768 N VAL A 51 6.111 7.822 -11.633 1.00 0.92 N ATOM 769 CA VAL A 51 7.248 7.268 -10.937 1.00 0.95 C ATOM 770 C VAL A 51 7.063 5.755 -10.776 1.00 0.95 C ATOM 771 O VAL A 51 7.913 4.982 -11.207 1.00 1.12 O ATOM 772 CB VAL A 51 7.359 7.996 -9.584 1.00 0.89 C ATOM 773 CG1 VAL A 51 8.481 7.400 -8.741 1.00 1.03 C ATOM 774 CG2 VAL A 51 7.635 9.495 -9.778 1.00 1.00 C ATOM 0 H VAL A 51 5.671 8.592 -11.129 1.00 0.92 H new ATOM 0 HA VAL A 51 8.175 7.413 -11.492 1.00 0.95 H new ATOM 0 HB VAL A 51 6.405 7.869 -9.073 1.00 0.89 H new ATOM 0 HG11 VAL A 51 8.542 7.929 -7.790 1.00 1.03 H new ATOM 0 HG12 VAL A 51 8.277 6.345 -8.557 1.00 1.03 H new ATOM 0 HG13 VAL A 51 9.427 7.499 -9.272 1.00 1.03 H new ATOM 0 HG21 VAL A 51 7.708 9.980 -8.805 1.00 1.00 H new ATOM 0 HG22 VAL A 51 8.572 9.625 -10.320 1.00 1.00 H new ATOM 0 HG23 VAL A 51 6.821 9.944 -10.347 1.00 1.00 H new ATOM 784 N ILE A 52 5.961 5.346 -10.134 1.00 0.86 N ATOM 785 CA ILE A 52 5.766 3.963 -9.713 1.00 0.88 C ATOM 786 C ILE A 52 4.970 3.131 -10.725 1.00 0.84 C ATOM 787 O ILE A 52 5.565 2.286 -11.377 1.00 1.25 O ATOM 788 CB ILE A 52 5.281 3.912 -8.255 1.00 1.01 C ATOM 789 CG1 ILE A 52 5.267 2.461 -7.752 1.00 1.18 C ATOM 790 CG2 ILE A 52 3.941 4.614 -7.991 1.00 1.02 C ATOM 791 CD1 ILE A 52 5.389 2.412 -6.230 1.00 1.88 C ATOM 0 H ILE A 52 5.186 5.965 -9.895 1.00 0.86 H new ATOM 0 HA ILE A 52 6.729 3.452 -9.712 1.00 0.88 H new ATOM 0 HB ILE A 52 6.004 4.492 -7.682 1.00 1.01 H new ATOM 0 HG12 ILE A 52 4.343 1.973 -8.063 1.00 1.18 H new ATOM 0 HG13 ILE A 52 6.089 1.907 -8.205 1.00 1.18 H new ATOM 0 HG21 ILE A 52 3.684 4.523 -6.936 1.00 1.02 H new ATOM 0 HG22 ILE A 52 4.024 5.668 -8.255 1.00 1.02 H new ATOM 0 HG23 ILE A 52 3.162 4.149 -8.595 1.00 1.02 H new ATOM 0 HD11 ILE A 52 5.377 1.374 -5.897 1.00 1.88 H new ATOM 0 HD12 ILE A 52 6.325 2.880 -5.925 1.00 1.88 H new ATOM 0 HD13 ILE A 52 4.552 2.947 -5.781 1.00 1.88 H new ATOM 803 N GLN A 53 3.661 3.384 -10.860 1.00 0.73 N ATOM 804 CA GLN A 53 2.638 2.676 -11.642 1.00 0.73 C ATOM 805 C GLN A 53 1.696 1.953 -10.670 1.00 0.66 C ATOM 806 O GLN A 53 2.162 1.373 -9.695 1.00 0.66 O ATOM 807 CB GLN A 53 3.119 1.667 -12.709 1.00 0.91 C ATOM 808 CG GLN A 53 3.493 2.225 -14.090 1.00 1.03 C ATOM 809 CD GLN A 53 4.706 3.134 -14.058 1.00 1.98 C ATOM 810 OE1 GLN A 53 5.775 2.784 -14.544 1.00 2.96 O ATOM 811 NE2 GLN A 53 4.528 4.317 -13.491 1.00 2.62 N ATOM 0 H GLN A 53 3.248 4.177 -10.370 1.00 0.73 H new ATOM 0 HA GLN A 53 2.156 3.462 -12.223 1.00 0.73 H new ATOM 0 HB2 GLN A 53 3.988 1.144 -12.310 1.00 0.91 H new ATOM 0 HB3 GLN A 53 2.334 0.923 -12.847 1.00 0.91 H new ATOM 0 HG2 GLN A 53 3.687 1.395 -14.770 1.00 1.03 H new ATOM 0 HG3 GLN A 53 2.644 2.777 -14.494 1.00 1.03 H new ATOM 0 HE21 GLN A 53 3.619 4.563 -13.100 1.00 2.62 H new ATOM 0 HE22 GLN A 53 5.300 4.982 -13.445 1.00 2.62 H new ATOM 820 N PRO A 54 0.380 1.954 -10.925 1.00 0.77 N ATOM 821 CA PRO A 54 -0.602 1.180 -10.173 1.00 0.79 C ATOM 822 C PRO A 54 -0.262 -0.312 -10.023 1.00 0.74 C ATOM 823 O PRO A 54 -0.256 -0.797 -8.891 1.00 0.74 O ATOM 824 CB PRO A 54 -1.956 1.456 -10.830 1.00 0.97 C ATOM 825 CG PRO A 54 -1.717 2.876 -11.331 1.00 1.08 C ATOM 826 CD PRO A 54 -0.303 2.813 -11.872 1.00 0.96 C ATOM 0 HA PRO A 54 -0.613 1.499 -9.131 1.00 0.79 H new ATOM 0 HB2 PRO A 54 -2.177 0.760 -11.639 1.00 0.97 H new ATOM 0 HB3 PRO A 54 -2.783 1.396 -10.123 1.00 0.97 H new ATOM 0 HG2 PRO A 54 -2.433 3.157 -12.104 1.00 1.08 H new ATOM 0 HG3 PRO A 54 -1.810 3.608 -10.529 1.00 1.08 H new ATOM 0 HD2 PRO A 54 -0.276 2.400 -12.881 1.00 0.96 H new ATOM 0 HD3 PRO A 54 0.154 3.802 -11.920 1.00 0.96 H new ATOM 834 N PRO A 55 0.062 -1.051 -11.104 1.00 0.77 N ATOM 835 CA PRO A 55 0.666 -2.358 -10.973 1.00 0.84 C ATOM 836 C PRO A 55 1.810 -2.313 -9.971 1.00 0.77 C ATOM 837 O PRO A 55 1.770 -3.049 -8.989 1.00 0.83 O ATOM 838 CB PRO A 55 1.160 -2.764 -12.360 1.00 1.00 C ATOM 839 CG PRO A 55 0.923 -1.586 -13.272 1.00 0.89 C ATOM 840 CD PRO A 55 -0.059 -0.719 -12.511 1.00 0.86 C ATOM 0 HA PRO A 55 -0.053 -3.088 -10.601 1.00 0.84 H new ATOM 0 HB2 PRO A 55 2.218 -3.024 -12.332 1.00 1.00 H new ATOM 0 HB3 PRO A 55 0.625 -3.643 -12.718 1.00 1.00 H new ATOM 0 HG2 PRO A 55 1.849 -1.050 -13.480 1.00 0.89 H new ATOM 0 HG3 PRO A 55 0.515 -1.901 -14.232 1.00 0.89 H new ATOM 0 HD2 PRO A 55 0.155 0.337 -12.675 1.00 0.86 H new ATOM 0 HD3 PRO A 55 -1.076 -0.896 -12.860 1.00 0.86 H new ATOM 848 N MET A 56 2.800 -1.429 -10.169 1.00 0.74 N ATOM 849 CA MET A 56 3.961 -1.497 -9.299 1.00 0.82 C ATOM 850 C MET A 56 3.605 -1.228 -7.837 1.00 0.77 C ATOM 851 O MET A 56 4.167 -1.873 -6.951 1.00 0.92 O ATOM 852 CB MET A 56 5.132 -0.669 -9.833 1.00 0.92 C ATOM 853 CG MET A 56 5.965 -1.567 -10.761 1.00 1.49 C ATOM 854 SD MET A 56 7.455 -0.840 -11.499 1.00 1.77 S ATOM 855 CE MET A 56 6.815 -0.252 -13.080 1.00 1.85 C ATOM 0 H MET A 56 2.816 -0.701 -10.884 1.00 0.74 H new ATOM 0 HA MET A 56 4.321 -2.526 -9.310 1.00 0.82 H new ATOM 0 HB2 MET A 56 4.766 0.203 -10.375 1.00 0.92 H new ATOM 0 HB3 MET A 56 5.744 -0.300 -9.010 1.00 0.92 H new ATOM 0 HG2 MET A 56 6.264 -2.451 -10.197 1.00 1.49 H new ATOM 0 HG3 MET A 56 5.319 -1.908 -11.570 1.00 1.49 H new ATOM 0 HE1 MET A 56 7.134 -0.926 -13.875 1.00 1.85 H new ATOM 0 HE2 MET A 56 5.726 -0.223 -13.044 1.00 1.85 H new ATOM 0 HE3 MET A 56 7.198 0.749 -13.278 1.00 1.85 H new ATOM 865 N ILE A 57 2.656 -0.328 -7.555 1.00 0.67 N ATOM 866 CA ILE A 57 2.295 -0.069 -6.169 1.00 0.76 C ATOM 867 C ILE A 57 1.590 -1.283 -5.547 1.00 0.78 C ATOM 868 O ILE A 57 1.889 -1.635 -4.407 1.00 1.00 O ATOM 869 CB ILE A 57 1.603 1.300 -6.018 1.00 0.84 C ATOM 870 CG1 ILE A 57 1.964 1.957 -4.675 1.00 2.02 C ATOM 871 CG2 ILE A 57 0.080 1.280 -6.181 1.00 1.89 C ATOM 872 CD1 ILE A 57 1.787 3.470 -4.782 1.00 2.11 C ATOM 0 H ILE A 57 2.142 0.215 -8.248 1.00 0.67 H new ATOM 0 HA ILE A 57 3.192 0.040 -5.559 1.00 0.76 H new ATOM 0 HB ILE A 57 1.989 1.889 -6.850 1.00 0.84 H new ATOM 0 HG12 ILE A 57 1.329 1.561 -3.883 1.00 2.02 H new ATOM 0 HG13 ILE A 57 2.993 1.719 -4.407 1.00 2.02 H new ATOM 0 HG21 ILE A 57 -0.312 2.289 -6.057 1.00 1.89 H new ATOM 0 HG22 ILE A 57 -0.175 0.911 -7.174 1.00 1.89 H new ATOM 0 HG23 ILE A 57 -0.358 0.626 -5.427 1.00 1.89 H new ATOM 0 HD11 ILE A 57 2.043 3.935 -3.830 1.00 2.11 H new ATOM 0 HD12 ILE A 57 2.441 3.859 -5.563 1.00 2.11 H new ATOM 0 HD13 ILE A 57 0.750 3.698 -5.030 1.00 2.11 H new ATOM 884 N ALA A 58 0.712 -1.974 -6.289 1.00 0.65 N ATOM 885 CA ALA A 58 0.169 -3.258 -5.851 1.00 0.73 C ATOM 886 C ALA A 58 1.270 -4.304 -5.619 1.00 0.79 C ATOM 887 O ALA A 58 1.373 -4.896 -4.541 1.00 0.95 O ATOM 888 CB ALA A 58 -0.856 -3.760 -6.872 1.00 0.88 C ATOM 0 H ALA A 58 0.366 -1.660 -7.196 1.00 0.65 H new ATOM 0 HA ALA A 58 -0.324 -3.105 -4.891 1.00 0.73 H new ATOM 0 HB1 ALA A 58 -1.259 -4.718 -6.542 1.00 0.88 H new ATOM 0 HB2 ALA A 58 -1.666 -3.036 -6.960 1.00 0.88 H new ATOM 0 HB3 ALA A 58 -0.373 -3.884 -7.841 1.00 0.88 H new ATOM 894 N GLU A 59 2.089 -4.546 -6.643 1.00 0.78 N ATOM 895 CA GLU A 59 3.168 -5.502 -6.662 1.00 0.90 C ATOM 896 C GLU A 59 4.069 -5.329 -5.440 1.00 0.92 C ATOM 897 O GLU A 59 4.325 -6.297 -4.728 1.00 0.98 O ATOM 898 CB GLU A 59 3.903 -5.287 -7.974 1.00 1.06 C ATOM 899 CG GLU A 59 3.104 -5.848 -9.166 1.00 1.23 C ATOM 900 CD GLU A 59 3.493 -5.234 -10.508 1.00 2.53 C ATOM 901 OE1 GLU A 59 4.613 -4.691 -10.606 1.00 4.05 O ATOM 902 OE2 GLU A 59 2.642 -5.308 -11.421 1.00 3.11 O ATOM 0 H GLU A 59 2.002 -4.045 -7.527 1.00 0.78 H new ATOM 0 HA GLU A 59 2.805 -6.528 -6.605 1.00 0.90 H new ATOM 0 HB2 GLU A 59 4.081 -4.222 -8.123 1.00 1.06 H new ATOM 0 HB3 GLU A 59 4.879 -5.770 -7.929 1.00 1.06 H new ATOM 0 HG2 GLU A 59 3.250 -6.927 -9.214 1.00 1.23 H new ATOM 0 HG3 GLU A 59 2.042 -5.677 -8.993 1.00 1.23 H new ATOM 909 N PHE A 60 4.454 -4.085 -5.137 1.00 0.99 N ATOM 910 CA PHE A 60 5.214 -3.753 -3.937 1.00 1.26 C ATOM 911 C PHE A 60 4.643 -4.422 -2.683 1.00 1.17 C ATOM 912 O PHE A 60 5.389 -4.882 -1.821 1.00 1.38 O ATOM 913 CB PHE A 60 5.258 -2.226 -3.736 1.00 1.55 C ATOM 914 CG PHE A 60 6.651 -1.681 -3.506 1.00 2.26 C ATOM 915 CD1 PHE A 60 7.318 -1.925 -2.291 1.00 3.70 C ATOM 916 CD2 PHE A 60 7.318 -1.008 -4.548 1.00 2.40 C ATOM 917 CE1 PHE A 60 8.646 -1.495 -2.117 1.00 4.52 C ATOM 918 CE2 PHE A 60 8.642 -0.575 -4.372 1.00 3.14 C ATOM 919 CZ PHE A 60 9.307 -0.819 -3.158 1.00 4.00 C ATOM 0 H PHE A 60 4.243 -3.278 -5.724 1.00 0.99 H new ATOM 0 HA PHE A 60 6.224 -4.134 -4.085 1.00 1.26 H new ATOM 0 HB2 PHE A 60 4.828 -1.741 -4.612 1.00 1.55 H new ATOM 0 HB3 PHE A 60 4.630 -1.962 -2.885 1.00 1.55 H new ATOM 0 HD1 PHE A 60 6.810 -2.443 -1.491 1.00 3.70 H new ATOM 0 HD2 PHE A 60 6.810 -0.825 -5.484 1.00 2.40 H new ATOM 0 HE1 PHE A 60 9.157 -1.684 -1.185 1.00 4.52 H new ATOM 0 HE2 PHE A 60 9.150 -0.054 -5.170 1.00 3.14 H new ATOM 0 HZ PHE A 60 10.326 -0.487 -3.025 1.00 4.00 H new ATOM 929 N ILE A 61 3.316 -4.424 -2.535 1.00 1.01 N ATOM 930 CA ILE A 61 2.666 -4.987 -1.361 1.00 1.01 C ATOM 931 C ILE A 61 2.725 -6.511 -1.461 1.00 0.93 C ATOM 932 O ILE A 61 2.982 -7.217 -0.487 1.00 1.09 O ATOM 933 CB ILE A 61 1.218 -4.478 -1.270 1.00 0.99 C ATOM 934 CG1 ILE A 61 1.137 -2.939 -1.281 1.00 1.10 C ATOM 935 CG2 ILE A 61 0.566 -5.020 0.004 1.00 1.05 C ATOM 936 CD1 ILE A 61 -0.271 -2.461 -1.648 1.00 1.53 C ATOM 0 H ILE A 61 2.670 -4.037 -3.223 1.00 1.01 H new ATOM 0 HA ILE A 61 3.177 -4.674 -0.451 1.00 1.01 H new ATOM 0 HB ILE A 61 0.686 -4.838 -2.150 1.00 0.99 H new ATOM 0 HG12 ILE A 61 1.412 -2.551 -0.300 1.00 1.10 H new ATOM 0 HG13 ILE A 61 1.857 -2.539 -1.995 1.00 1.10 H new ATOM 0 HG21 ILE A 61 -0.461 -4.659 0.069 1.00 1.05 H new ATOM 0 HG22 ILE A 61 0.567 -6.110 -0.022 1.00 1.05 H new ATOM 0 HG23 ILE A 61 1.127 -4.677 0.874 1.00 1.05 H new ATOM 0 HD11 ILE A 61 -0.297 -1.371 -1.648 1.00 1.53 H new ATOM 0 HD12 ILE A 61 -0.534 -2.830 -2.640 1.00 1.53 H new ATOM 0 HD13 ILE A 61 -0.986 -2.841 -0.918 1.00 1.53 H new ATOM 948 N ARG A 62 2.422 -7.009 -2.656 1.00 0.80 N ATOM 949 CA ARG A 62 2.378 -8.422 -2.981 1.00 0.85 C ATOM 950 C ARG A 62 3.694 -9.136 -2.700 1.00 0.94 C ATOM 951 O ARG A 62 3.716 -10.098 -1.935 1.00 1.06 O ATOM 952 CB ARG A 62 2.019 -8.556 -4.466 1.00 0.91 C ATOM 953 CG ARG A 62 0.547 -8.886 -4.671 1.00 0.88 C ATOM 954 CD ARG A 62 0.339 -10.400 -4.863 1.00 1.83 C ATOM 955 NE ARG A 62 0.894 -11.201 -3.747 1.00 3.97 N ATOM 956 CZ ARG A 62 2.049 -11.893 -3.722 1.00 5.75 C ATOM 957 NH1 ARG A 62 2.875 -11.908 -4.774 1.00 5.68 N ATOM 958 NH2 ARG A 62 2.372 -12.563 -2.614 1.00 7.84 N ATOM 0 H ARG A 62 2.192 -6.413 -3.451 1.00 0.80 H new ATOM 0 HA ARG A 62 1.629 -8.896 -2.346 1.00 0.85 H new ATOM 0 HB2 ARG A 62 2.257 -7.626 -4.982 1.00 0.91 H new ATOM 0 HB3 ARG A 62 2.631 -9.336 -4.918 1.00 0.91 H new ATOM 0 HG2 ARG A 62 -0.029 -8.543 -3.811 1.00 0.88 H new ATOM 0 HG3 ARG A 62 0.169 -8.351 -5.542 1.00 0.88 H new ATOM 0 HD2 ARG A 62 -0.727 -10.607 -4.958 1.00 1.83 H new ATOM 0 HD3 ARG A 62 0.808 -10.711 -5.796 1.00 1.83 H new ATOM 0 HE ARG A 62 0.334 -11.232 -2.895 1.00 3.97 H new ATOM 0 HH11 ARG A 62 2.635 -11.388 -5.618 1.00 5.68 H new ATOM 0 HH12 ARG A 62 3.745 -12.439 -4.732 1.00 5.68 H new ATOM 0 HH21 ARG A 62 1.749 -12.545 -1.807 1.00 7.84 H new ATOM 0 HH22 ARG A 62 3.242 -13.093 -2.574 1.00 7.84 H new ATOM 972 N GLU A 63 4.757 -8.726 -3.386 1.00 0.99 N ATOM 973 CA GLU A 63 5.978 -9.487 -3.520 1.00 1.24 C ATOM 974 C GLU A 63 6.586 -9.811 -2.158 1.00 1.28 C ATOM 975 O GLU A 63 6.770 -10.979 -1.820 1.00 1.75 O ATOM 976 CB GLU A 63 6.927 -8.670 -4.396 1.00 1.39 C ATOM 977 CG GLU A 63 6.494 -8.659 -5.857 1.00 1.57 C ATOM 978 CD GLU A 63 7.394 -7.735 -6.662 1.00 2.01 C ATOM 979 OE1 GLU A 63 7.129 -6.516 -6.616 1.00 2.24 O ATOM 980 OE2 GLU A 63 8.345 -8.269 -7.270 1.00 3.13 O ATOM 0 H GLU A 63 4.786 -7.831 -3.874 1.00 0.99 H new ATOM 0 HA GLU A 63 5.780 -10.451 -3.988 1.00 1.24 H new ATOM 0 HB2 GLU A 63 6.972 -7.646 -4.024 1.00 1.39 H new ATOM 0 HB3 GLU A 63 7.934 -9.081 -4.320 1.00 1.39 H new ATOM 0 HG2 GLU A 63 6.538 -9.669 -6.265 1.00 1.57 H new ATOM 0 HG3 GLU A 63 5.458 -8.329 -5.935 1.00 1.57 H new ATOM 987 N LEU A 64 6.894 -8.771 -1.381 1.00 1.06 N ATOM 988 CA LEU A 64 7.498 -8.922 -0.067 1.00 1.24 C ATOM 989 C LEU A 64 6.445 -9.176 1.012 1.00 0.95 C ATOM 990 O LEU A 64 6.728 -9.885 1.974 1.00 1.18 O ATOM 991 CB LEU A 64 8.383 -7.715 0.278 1.00 1.78 C ATOM 992 CG LEU A 64 7.774 -6.354 -0.099 1.00 1.32 C ATOM 993 CD1 LEU A 64 8.039 -5.330 1.002 1.00 1.84 C ATOM 994 CD2 LEU A 64 8.391 -5.840 -1.408 1.00 2.11 C ATOM 0 H LEU A 64 6.729 -7.801 -1.651 1.00 1.06 H new ATOM 0 HA LEU A 64 8.140 -9.802 -0.099 1.00 1.24 H new ATOM 0 HB2 LEU A 64 8.588 -7.724 1.349 1.00 1.78 H new ATOM 0 HB3 LEU A 64 9.341 -7.825 -0.231 1.00 1.78 H new ATOM 0 HG LEU A 64 6.700 -6.487 -0.225 1.00 1.32 H new ATOM 0 HD11 LEU A 64 7.602 -4.372 0.721 1.00 1.84 H new ATOM 0 HD12 LEU A 64 7.591 -5.674 1.934 1.00 1.84 H new ATOM 0 HD13 LEU A 64 9.114 -5.212 1.138 1.00 1.84 H new ATOM 0 HD21 LEU A 64 7.951 -4.876 -1.664 1.00 2.11 H new ATOM 0 HD22 LEU A 64 9.468 -5.726 -1.283 1.00 2.11 H new ATOM 0 HD23 LEU A 64 8.193 -6.553 -2.208 1.00 2.11 H new ATOM 1006 N GLY A 65 5.253 -8.580 0.885 1.00 1.14 N ATOM 1007 CA GLY A 65 4.227 -8.668 1.908 1.00 1.87 C ATOM 1008 C GLY A 65 3.266 -9.818 1.624 1.00 1.07 C ATOM 1009 O GLY A 65 3.474 -10.934 2.096 1.00 1.41 O ATOM 0 H GLY A 65 4.982 -8.028 0.071 1.00 1.14 H new ATOM 0 HA2 GLY A 65 4.693 -8.811 2.883 1.00 1.87 H new ATOM 0 HA3 GLY A 65 3.673 -7.730 1.954 1.00 1.87 H new ATOM 1013 N PHE A 66 2.173 -9.530 0.908 1.00 0.93 N ATOM 1014 CA PHE A 66 0.978 -10.356 0.968 1.00 1.34 C ATOM 1015 C PHE A 66 0.347 -10.581 -0.397 1.00 1.55 C ATOM 1016 O PHE A 66 0.458 -11.645 -1.009 1.00 3.01 O ATOM 1017 CB PHE A 66 -0.009 -9.767 1.997 1.00 2.00 C ATOM 1018 CG PHE A 66 0.624 -9.316 3.295 1.00 1.88 C ATOM 1019 CD1 PHE A 66 0.992 -10.269 4.261 1.00 2.85 C ATOM 1020 CD2 PHE A 66 1.008 -7.969 3.455 1.00 2.09 C ATOM 1021 CE1 PHE A 66 1.776 -9.886 5.362 1.00 2.88 C ATOM 1022 CE2 PHE A 66 1.812 -7.593 4.544 1.00 2.36 C ATOM 1023 CZ PHE A 66 2.211 -8.556 5.485 1.00 2.24 C ATOM 0 H PHE A 66 2.099 -8.728 0.282 1.00 0.93 H new ATOM 0 HA PHE A 66 1.267 -11.351 1.306 1.00 1.34 H new ATOM 0 HB2 PHE A 66 -0.521 -8.918 1.544 1.00 2.00 H new ATOM 0 HB3 PHE A 66 -0.769 -10.515 2.220 1.00 2.00 H new ATOM 0 HD1 PHE A 66 0.672 -11.295 4.157 1.00 2.85 H new ATOM 0 HD2 PHE A 66 0.684 -7.226 2.741 1.00 2.09 H new ATOM 0 HE1 PHE A 66 2.044 -10.614 6.114 1.00 2.88 H new ATOM 0 HE2 PHE A 66 2.123 -6.565 4.657 1.00 2.36 H new ATOM 0 HZ PHE A 66 2.854 -8.273 6.305 1.00 2.24 H new ATOM 1033 N GLY A 67 -0.384 -9.582 -0.857 1.00 1.21 N ATOM 1034 CA GLY A 67 -1.592 -9.797 -1.621 1.00 0.96 C ATOM 1035 C GLY A 67 -2.415 -8.533 -1.439 1.00 0.82 C ATOM 1036 O GLY A 67 -2.639 -8.115 -0.303 1.00 1.39 O ATOM 0 H GLY A 67 -0.154 -8.599 -0.710 1.00 1.21 H new ATOM 0 HA2 GLY A 67 -1.366 -9.970 -2.673 1.00 0.96 H new ATOM 0 HA3 GLY A 67 -2.133 -10.673 -1.263 1.00 0.96 H new ATOM 1040 N ALA A 68 -2.757 -7.876 -2.547 1.00 0.97 N ATOM 1041 CA ALA A 68 -3.303 -6.533 -2.558 1.00 0.85 C ATOM 1042 C ALA A 68 -4.296 -6.441 -3.705 1.00 0.94 C ATOM 1043 O ALA A 68 -3.911 -6.606 -4.860 1.00 1.22 O ATOM 1044 CB ALA A 68 -2.158 -5.536 -2.737 1.00 0.95 C ATOM 0 H ALA A 68 -2.657 -8.278 -3.479 1.00 0.97 H new ATOM 0 HA ALA A 68 -3.814 -6.302 -1.623 1.00 0.85 H new ATOM 0 HB1 ALA A 68 -2.557 -4.522 -2.747 1.00 0.95 H new ATOM 0 HB2 ALA A 68 -1.452 -5.640 -1.913 1.00 0.95 H new ATOM 0 HB3 ALA A 68 -1.647 -5.734 -3.679 1.00 0.95 H new ATOM 1050 N THR A 69 -5.566 -6.208 -3.388 1.00 0.92 N ATOM 1051 CA THR A 69 -6.605 -6.019 -4.378 1.00 1.14 C ATOM 1052 C THR A 69 -6.728 -4.517 -4.618 1.00 0.81 C ATOM 1053 O THR A 69 -7.010 -3.789 -3.674 1.00 0.79 O ATOM 1054 CB THR A 69 -7.911 -6.663 -3.881 1.00 1.55 C ATOM 1055 OG1 THR A 69 -8.302 -6.204 -2.601 1.00 2.96 O ATOM 1056 CG2 THR A 69 -7.787 -8.188 -3.823 1.00 1.76 C ATOM 0 H THR A 69 -5.899 -6.146 -2.426 1.00 0.92 H new ATOM 0 HA THR A 69 -6.369 -6.504 -5.325 1.00 1.14 H new ATOM 0 HB THR A 69 -8.673 -6.368 -4.603 1.00 1.55 H new ATOM 0 HG1 THR A 69 -7.559 -6.317 -1.972 1.00 2.96 H new ATOM 0 HG21 THR A 69 -8.725 -8.616 -3.468 1.00 1.76 H new ATOM 0 HG22 THR A 69 -7.566 -8.573 -4.818 1.00 1.76 H new ATOM 0 HG23 THR A 69 -6.982 -8.462 -3.141 1.00 1.76 H new ATOM 1064 N VAL A 70 -6.481 -4.052 -5.844 1.00 0.67 N ATOM 1065 CA VAL A 70 -6.604 -2.653 -6.229 1.00 0.60 C ATOM 1066 C VAL A 70 -8.078 -2.403 -6.560 1.00 0.70 C ATOM 1067 O VAL A 70 -8.650 -3.129 -7.372 1.00 0.77 O ATOM 1068 CB VAL A 70 -5.625 -2.387 -7.392 1.00 0.66 C ATOM 1069 CG1 VAL A 70 -6.070 -1.292 -8.356 1.00 1.30 C ATOM 1070 CG2 VAL A 70 -4.271 -1.963 -6.820 1.00 1.65 C ATOM 0 H VAL A 70 -6.183 -4.655 -6.611 1.00 0.67 H new ATOM 0 HA VAL A 70 -6.331 -1.953 -5.439 1.00 0.60 H new ATOM 0 HB VAL A 70 -5.578 -3.320 -7.954 1.00 0.66 H new ATOM 0 HG11 VAL A 70 -5.323 -1.173 -9.141 1.00 1.30 H new ATOM 0 HG12 VAL A 70 -7.025 -1.567 -8.803 1.00 1.30 H new ATOM 0 HG13 VAL A 70 -6.180 -0.353 -7.814 1.00 1.30 H new ATOM 0 HG21 VAL A 70 -3.574 -1.773 -7.637 1.00 1.65 H new ATOM 0 HG22 VAL A 70 -4.394 -1.055 -6.230 1.00 1.65 H new ATOM 0 HG23 VAL A 70 -3.879 -2.758 -6.186 1.00 1.65 H new ATOM 1080 N ILE A 71 -8.696 -1.454 -5.838 1.00 0.78 N ATOM 1081 CA ILE A 71 -10.137 -1.229 -5.865 1.00 0.93 C ATOM 1082 C ILE A 71 -10.390 0.275 -5.712 1.00 0.99 C ATOM 1083 O ILE A 71 -10.800 0.751 -4.654 1.00 1.53 O ATOM 1084 CB ILE A 71 -10.796 -2.006 -4.707 1.00 1.09 C ATOM 1085 CG1 ILE A 71 -10.465 -3.511 -4.758 1.00 1.66 C ATOM 1086 CG2 ILE A 71 -12.325 -1.831 -4.670 1.00 1.64 C ATOM 1087 CD1 ILE A 71 -11.154 -4.311 -3.652 1.00 1.93 C ATOM 0 H ILE A 71 -8.197 -0.819 -5.215 1.00 0.78 H new ATOM 0 HA ILE A 71 -10.565 -1.578 -6.805 1.00 0.93 H new ATOM 0 HB ILE A 71 -10.376 -1.577 -3.798 1.00 1.09 H new ATOM 0 HG12 ILE A 71 -10.763 -3.910 -5.727 1.00 1.66 H new ATOM 0 HG13 ILE A 71 -9.386 -3.643 -4.677 1.00 1.66 H new ATOM 0 HG21 ILE A 71 -12.736 -2.399 -3.836 1.00 1.64 H new ATOM 0 HG22 ILE A 71 -12.568 -0.776 -4.545 1.00 1.64 H new ATOM 0 HG23 ILE A 71 -12.755 -2.194 -5.603 1.00 1.64 H new ATOM 0 HD11 ILE A 71 -10.882 -5.363 -3.741 1.00 1.93 H new ATOM 0 HD12 ILE A 71 -10.837 -3.935 -2.679 1.00 1.93 H new ATOM 0 HD13 ILE A 71 -12.235 -4.206 -3.747 1.00 1.93 H new ATOM 1099 N GLU A 72 -10.189 1.032 -6.783 1.00 1.05 N ATOM 1100 CA GLU A 72 -10.640 2.419 -6.898 1.00 1.13 C ATOM 1101 C GLU A 72 -12.178 2.498 -6.941 1.00 1.30 C ATOM 1102 O GLU A 72 -12.775 2.858 -7.951 1.00 2.33 O ATOM 1103 CB GLU A 72 -9.944 3.182 -8.046 1.00 1.58 C ATOM 1104 CG GLU A 72 -9.633 2.363 -9.306 1.00 2.63 C ATOM 1105 CD GLU A 72 -8.406 1.494 -9.098 1.00 3.79 C ATOM 1106 OE1 GLU A 72 -7.295 2.065 -9.057 1.00 4.31 O ATOM 1107 OE2 GLU A 72 -8.629 0.288 -8.857 1.00 5.13 O ATOM 0 H GLU A 72 -9.700 0.696 -7.613 1.00 1.05 H new ATOM 0 HA GLU A 72 -10.328 2.944 -5.995 1.00 1.13 H new ATOM 0 HB2 GLU A 72 -10.574 4.024 -8.331 1.00 1.58 H new ATOM 0 HB3 GLU A 72 -9.010 3.597 -7.666 1.00 1.58 H new ATOM 0 HG2 GLU A 72 -10.489 1.737 -9.558 1.00 2.63 H new ATOM 0 HG3 GLU A 72 -9.470 3.034 -10.150 1.00 2.63 H new ATOM 1114 N ASN A 73 -12.802 2.193 -5.798 1.00 1.83 N ATOM 1115 CA ASN A 73 -14.217 2.339 -5.468 1.00 2.46 C ATOM 1116 C ASN A 73 -15.180 2.011 -6.619 1.00 2.98 C ATOM 1117 O ASN A 73 -15.802 2.901 -7.198 1.00 3.92 O ATOM 1118 CB ASN A 73 -14.477 3.724 -4.858 1.00 3.59 C ATOM 1119 CG ASN A 73 -15.796 3.709 -4.094 1.00 4.61 C ATOM 1120 OD1 ASN A 73 -15.805 3.691 -2.867 1.00 5.64 O ATOM 1121 ND2 ASN A 73 -16.912 3.649 -4.807 1.00 5.21 N ATOM 0 H ASN A 73 -12.280 1.803 -5.013 1.00 1.83 H new ATOM 0 HA ASN A 73 -14.440 1.578 -4.720 1.00 2.46 H new ATOM 0 HB2 ASN A 73 -13.661 3.996 -4.189 1.00 3.59 H new ATOM 0 HB3 ASN A 73 -14.510 4.478 -5.644 1.00 3.59 H new ATOM 0 HD21 ASN A 73 -17.815 3.586 -4.337 1.00 5.21 H new ATOM 0 HD22 ASN A 73 -16.868 3.666 -5.826 1.00 5.21 H new ATOM 1128 N ILE A 74 -15.360 0.717 -6.895 1.00 3.96 N ATOM 1129 CA ILE A 74 -16.199 0.223 -7.982 1.00 5.41 C ATOM 1130 C ILE A 74 -17.665 0.676 -7.855 1.00 5.66 C ATOM 1131 O ILE A 74 -18.284 1.014 -8.861 1.00 6.03 O ATOM 1132 CB ILE A 74 -16.078 -1.313 -8.071 1.00 7.13 C ATOM 1133 CG1 ILE A 74 -14.619 -1.802 -8.189 1.00 8.33 C ATOM 1134 CG2 ILE A 74 -16.914 -1.874 -9.232 1.00 8.35 C ATOM 1135 CD1 ILE A 74 -13.837 -1.208 -9.365 1.00 9.13 C ATOM 0 H ILE A 74 -14.917 -0.028 -6.357 1.00 3.96 H new ATOM 0 HA ILE A 74 -15.838 0.661 -8.912 1.00 5.41 H new ATOM 0 HB ILE A 74 -16.471 -1.694 -7.129 1.00 7.13 H new ATOM 0 HG12 ILE A 74 -14.094 -1.563 -7.264 1.00 8.33 H new ATOM 0 HG13 ILE A 74 -14.621 -2.888 -8.283 1.00 8.33 H new ATOM 0 HG21 ILE A 74 -16.807 -2.958 -9.267 1.00 8.35 H new ATOM 0 HG22 ILE A 74 -17.963 -1.618 -9.082 1.00 8.35 H new ATOM 0 HG23 ILE A 74 -16.566 -1.445 -10.172 1.00 8.35 H new ATOM 0 HD11 ILE A 74 -12.823 -1.609 -9.367 1.00 9.13 H new ATOM 0 HD12 ILE A 74 -14.333 -1.469 -10.300 1.00 9.13 H new ATOM 0 HD13 ILE A 74 -13.798 -0.123 -9.265 1.00 9.13 H new ATOM 1147 N GLU A 75 -18.228 0.657 -6.642 1.00 6.14 N ATOM 1148 CA GLU A 75 -19.606 1.050 -6.353 1.00 6.94 C ATOM 1149 C GLU A 75 -19.599 1.754 -4.995 1.00 7.43 C ATOM 1150 O GLU A 75 -18.658 1.587 -4.216 1.00 7.97 O ATOM 1151 CB GLU A 75 -20.516 -0.197 -6.400 1.00 8.14 C ATOM 1152 CG GLU A 75 -21.966 -0.047 -5.894 1.00 9.19 C ATOM 1153 CD GLU A 75 -22.820 0.964 -6.652 1.00 9.40 C ATOM 1154 OE1 GLU A 75 -22.413 2.145 -6.668 1.00 9.40 O ATOM 1155 OE2 GLU A 75 -23.903 0.572 -7.151 1.00 9.99 O ATOM 0 H GLU A 75 -17.719 0.358 -5.810 1.00 6.14 H new ATOM 0 HA GLU A 75 -20.008 1.742 -7.094 1.00 6.94 H new ATOM 0 HB2 GLU A 75 -20.555 -0.545 -7.432 1.00 8.14 H new ATOM 0 HB3 GLU A 75 -20.037 -0.984 -5.817 1.00 8.14 H new ATOM 0 HG2 GLU A 75 -22.454 -1.020 -5.945 1.00 9.19 H new ATOM 0 HG3 GLU A 75 -21.939 0.241 -4.843 1.00 9.19 H new ATOM 1162 N GLY A 76 -20.603 2.584 -4.728 1.00 7.75 N ATOM 1163 CA GLY A 76 -20.712 3.375 -3.512 1.00 8.87 C ATOM 1164 C GLY A 76 -22.113 3.968 -3.432 1.00 9.63 C ATOM 1165 O GLY A 76 -22.289 5.176 -3.586 1.00 9.87 O ATOM 0 H GLY A 76 -21.383 2.727 -5.370 1.00 7.75 H new ATOM 0 HA2 GLY A 76 -20.516 2.753 -2.639 1.00 8.87 H new ATOM 0 HA3 GLY A 76 -19.966 4.170 -3.511 1.00 8.87 H new ATOM 1169 N ARG A 77 -23.104 3.103 -3.223 1.00 10.34 N ATOM 1170 CA ARG A 77 -24.523 3.393 -3.199 1.00 11.20 C ATOM 1171 C ARG A 77 -25.133 2.386 -2.227 1.00 12.21 C ATOM 1172 O ARG A 77 -24.400 1.427 -1.885 1.00 12.64 O ATOM 1173 CB ARG A 77 -25.115 3.163 -4.594 1.00 11.24 C ATOM 1174 CG ARG A 77 -24.747 4.260 -5.611 1.00 11.59 C ATOM 1175 CD ARG A 77 -25.059 3.911 -7.078 1.00 12.03 C ATOM 1176 NE ARG A 77 -25.671 2.584 -7.235 1.00 12.71 N ATOM 1177 CZ ARG A 77 -26.955 2.278 -7.029 1.00 13.52 C ATOM 1178 NH1 ARG A 77 -27.832 3.251 -6.750 1.00 13.85 N ATOM 1179 NH2 ARG A 77 -27.344 1.001 -7.083 1.00 14.28 N ATOM 1180 OXT ARG A 77 -26.318 2.574 -1.876 1.00 12.78 O ATOM 0 H ARG A 77 -22.916 2.115 -3.055 1.00 10.34 H new ATOM 0 HA ARG A 77 -24.721 4.423 -2.903 1.00 11.20 H new ATOM 0 HB2 ARG A 77 -24.771 2.200 -4.971 1.00 11.24 H new ATOM 0 HB3 ARG A 77 -26.200 3.104 -4.513 1.00 11.24 H new ATOM 0 HG2 ARG A 77 -25.281 5.173 -5.348 1.00 11.59 H new ATOM 0 HG3 ARG A 77 -23.682 4.476 -5.522 1.00 11.59 H new ATOM 0 HD2 ARG A 77 -25.729 4.665 -7.490 1.00 12.03 H new ATOM 0 HD3 ARG A 77 -24.138 3.951 -7.659 1.00 12.03 H new ATOM 0 HE ARG A 77 -25.057 1.824 -7.529 1.00 12.71 H new ATOM 0 HH11 ARG A 77 -27.518 4.220 -6.696 1.00 13.85 H new ATOM 0 HH12 ARG A 77 -28.814 3.023 -6.592 1.00 13.85 H new ATOM 0 HH21 ARG A 77 -26.662 0.268 -7.280 1.00 14.28 H new ATOM 0 HH22 ARG A 77 -28.322 0.759 -6.927 1.00 14.28 H new TER 1194 ARG A 77 HETATM 1195 CU CU A 78 1.577 -9.528 8.450 1.00 2.58 CU