USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 666 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 13 THR OG1 : rot 180:sc=-5.46e-05 USER MOD Set 1.2: A 16 GLN : amide:sc= -0.154 X(o=-0.15,f=-0.61) USER MOD Single : A 1 MET CE :methyl 143:sc= -0.569 (180deg=-2.82!) USER MOD Single : A 1 MET N :NH3+ -170:sc= -0.0179 (180deg=-0.167) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.901 K(o=-0.9,f=-3.5!) USER MOD Single : A 17 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.104) USER MOD Single : A 18 ASN : amide:sc= -0.0386 K(o=-0.039,f=-1.4!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 56:sc= -4.38! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0311) USER MOD Single : A 45 MET CE :methyl 144:sc= -1.19 (180deg=-2.01) USER MOD Single : A 47 MET CE :methyl 154:sc=-0.00498 (180deg=-1.76) USER MOD Single : A 50 GLN : amide:sc= -0.252 X(o=-0.25,f=-0.23) USER MOD Single : A 51 ASN :FLIP amide:sc= -2.22 F(o=-2.8!,f=-2.2) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.17 USER MOD Single : A 58 GLN : amide:sc= -1.52 X(o=-1.5,f=-1.8!) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 78:sc= 0.103 USER MOD Single : A 71 THR OG1 : rot -84:sc= 0.724 USER MOD Single : A 80 MET CE :methyl -150:sc= -3.72! (180deg=-4.01!) USER MOD Single : A 81 MET CE :methyl -152:sc= -1.72 (180deg=-3.07!) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl -125:sc= -1.29 (180deg=-2.16!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 88.587 7.694 0.323 1.00 3.22 N ATOM 2 CA MET A 1 89.146 7.351 -1.016 1.00 2.61 C ATOM 3 C MET A 1 88.911 5.869 -1.323 1.00 2.16 C ATOM 4 O MET A 1 88.803 5.472 -2.466 1.00 2.75 O ATOM 5 CB MET A 1 90.642 7.647 -0.907 1.00 3.09 C ATOM 6 CG MET A 1 91.148 8.224 -2.230 1.00 3.96 C ATOM 7 SD MET A 1 91.588 9.964 -2.002 1.00 4.65 S ATOM 8 CE MET A 1 92.750 9.726 -0.635 1.00 5.42 C ATOM 0 H1 MET A 1 88.598 8.726 0.450 1.00 3.22 H new ATOM 0 H2 MET A 1 87.609 7.348 0.390 1.00 3.22 H new ATOM 0 H3 MET A 1 89.164 7.248 1.065 1.00 3.22 H new ATOM 0 HA MET A 1 88.676 7.919 -1.819 1.00 2.61 H new ATOM 0 HB2 MET A 1 90.825 8.353 -0.097 1.00 3.09 H new ATOM 0 HB3 MET A 1 91.187 6.735 -0.664 1.00 3.09 H new ATOM 0 HG2 MET A 1 92.015 7.661 -2.576 1.00 3.96 H new ATOM 0 HG3 MET A 1 90.380 8.130 -2.997 1.00 3.96 H new ATOM 0 HE1 MET A 1 93.581 10.423 -0.739 1.00 5.42 H new ATOM 0 HE2 MET A 1 92.240 9.907 0.311 1.00 5.42 H new ATOM 0 HE3 MET A 1 93.129 8.704 -0.653 1.00 5.42 H new ATOM 20 N ASP A 2 88.831 5.049 -0.311 1.00 1.80 N ATOM 21 CA ASP A 2 88.603 3.594 -0.545 1.00 1.98 C ATOM 22 C ASP A 2 87.138 3.238 -0.279 1.00 1.58 C ATOM 23 O ASP A 2 86.703 2.133 -0.532 1.00 2.28 O ATOM 24 CB ASP A 2 89.517 2.884 0.453 1.00 2.93 C ATOM 25 CG ASP A 2 88.966 3.065 1.868 1.00 3.62 C ATOM 26 OD1 ASP A 2 88.341 4.085 2.114 1.00 4.06 O ATOM 27 OD2 ASP A 2 89.178 2.183 2.683 1.00 4.19 O ATOM 0 H ASP A 2 88.914 5.323 0.668 1.00 1.80 H new ATOM 0 HA ASP A 2 88.818 3.303 -1.573 1.00 1.98 H new ATOM 0 HB2 ASP A 2 89.584 1.823 0.210 1.00 2.93 H new ATOM 0 HB3 ASP A 2 90.527 3.290 0.390 1.00 2.93 H new ATOM 32 N ASP A 3 86.375 4.165 0.232 1.00 1.09 N ATOM 33 CA ASP A 3 84.940 3.877 0.514 1.00 1.04 C ATOM 34 C ASP A 3 84.819 2.719 1.507 1.00 0.99 C ATOM 35 O ASP A 3 85.632 1.816 1.525 1.00 1.06 O ATOM 36 CB ASP A 3 84.341 3.489 -0.839 1.00 1.37 C ATOM 37 CG ASP A 3 83.649 4.702 -1.459 1.00 1.89 C ATOM 38 OD1 ASP A 3 82.796 5.275 -0.799 1.00 2.31 O ATOM 39 OD2 ASP A 3 83.982 5.040 -2.583 1.00 2.45 O ATOM 0 H ASP A 3 86.683 5.109 0.466 1.00 1.09 H new ATOM 0 HA ASP A 3 84.426 4.730 0.957 1.00 1.04 H new ATOM 0 HB2 ASP A 3 85.124 3.125 -1.504 1.00 1.37 H new ATOM 0 HB3 ASP A 3 83.627 2.675 -0.712 1.00 1.37 H new ATOM 44 N ILE A 4 83.809 2.737 2.333 1.00 0.90 N ATOM 45 CA ILE A 4 83.637 1.635 3.324 1.00 0.89 C ATOM 46 C ILE A 4 82.291 0.937 3.110 1.00 0.82 C ATOM 47 O ILE A 4 82.147 -0.243 3.362 1.00 0.85 O ATOM 48 CB ILE A 4 83.676 2.321 4.688 1.00 0.85 C ATOM 49 CG1 ILE A 4 82.405 3.154 4.877 1.00 1.02 C ATOM 50 CG2 ILE A 4 84.900 3.237 4.765 1.00 0.75 C ATOM 51 CD1 ILE A 4 82.459 3.866 6.230 1.00 1.74 C ATOM 0 H ILE A 4 83.096 3.466 2.365 1.00 0.90 H new ATOM 0 HA ILE A 4 84.408 0.870 3.231 1.00 0.89 H new ATOM 0 HB ILE A 4 83.737 1.566 5.472 1.00 0.85 H new ATOM 0 HG12 ILE A 4 82.313 3.884 4.073 1.00 1.02 H new ATOM 0 HG13 ILE A 4 81.526 2.512 4.827 1.00 1.02 H new ATOM 0 HG21 ILE A 4 84.928 3.726 5.739 1.00 0.75 H new ATOM 0 HG22 ILE A 4 85.806 2.646 4.630 1.00 0.75 H new ATOM 0 HG23 ILE A 4 84.839 3.992 3.981 1.00 0.75 H new ATOM 0 HD11 ILE A 4 81.555 4.459 6.365 1.00 1.74 H new ATOM 0 HD12 ILE A 4 82.531 3.127 7.028 1.00 1.74 H new ATOM 0 HD13 ILE A 4 83.330 4.520 6.262 1.00 1.74 H new ATOM 63 N TYR A 5 81.306 1.654 2.643 1.00 0.78 N ATOM 64 CA TYR A 5 79.974 1.026 2.413 1.00 0.78 C ATOM 65 C TYR A 5 80.063 0.006 1.274 1.00 0.92 C ATOM 66 O TYR A 5 79.249 -0.890 1.166 1.00 0.99 O ATOM 67 CB TYR A 5 79.049 2.183 2.029 1.00 0.78 C ATOM 68 CG TYR A 5 79.086 3.237 3.109 1.00 0.92 C ATOM 69 CD1 TYR A 5 78.251 3.122 4.227 1.00 1.31 C ATOM 70 CD2 TYR A 5 79.954 4.329 2.993 1.00 1.77 C ATOM 71 CE1 TYR A 5 78.285 4.100 5.229 1.00 1.36 C ATOM 72 CE2 TYR A 5 79.989 5.305 3.995 1.00 2.00 C ATOM 73 CZ TYR A 5 79.154 5.191 5.112 1.00 1.35 C ATOM 74 OH TYR A 5 79.187 6.154 6.101 1.00 1.60 O ATOM 0 H TYR A 5 81.365 2.646 2.411 1.00 0.78 H new ATOM 0 HA TYR A 5 79.611 0.492 3.291 1.00 0.78 H new ATOM 0 HB2 TYR A 5 79.361 2.612 1.077 1.00 0.78 H new ATOM 0 HB3 TYR A 5 78.030 1.819 1.896 1.00 0.78 H new ATOM 0 HD1 TYR A 5 77.581 2.280 4.317 1.00 1.31 H new ATOM 0 HD2 TYR A 5 80.597 4.418 2.130 1.00 1.77 H new ATOM 0 HE1 TYR A 5 77.641 4.012 6.092 1.00 1.36 H new ATOM 0 HE2 TYR A 5 80.660 6.146 3.906 1.00 2.00 H new ATOM 0 HH TYR A 5 79.845 6.842 5.866 1.00 1.60 H new ATOM 84 N LYS A 6 81.046 0.134 0.425 1.00 1.02 N ATOM 85 CA LYS A 6 81.186 -0.830 -0.704 1.00 1.19 C ATOM 86 C LYS A 6 81.159 -2.267 -0.176 1.00 1.15 C ATOM 87 O LYS A 6 80.673 -3.170 -0.828 1.00 1.19 O ATOM 88 CB LYS A 6 82.545 -0.515 -1.331 1.00 1.38 C ATOM 89 CG LYS A 6 82.506 0.878 -1.963 1.00 1.86 C ATOM 90 CD LYS A 6 81.773 0.811 -3.304 1.00 1.94 C ATOM 91 CE LYS A 6 81.717 2.210 -3.925 1.00 2.16 C ATOM 92 NZ LYS A 6 82.930 2.296 -4.785 1.00 2.91 N ATOM 0 H LYS A 6 81.758 0.864 0.464 1.00 1.02 H new ATOM 0 HA LYS A 6 80.375 -0.740 -1.426 1.00 1.19 H new ATOM 0 HB2 LYS A 6 83.326 -0.560 -0.572 1.00 1.38 H new ATOM 0 HB3 LYS A 6 82.791 -1.262 -2.086 1.00 1.38 H new ATOM 0 HG2 LYS A 6 82.002 1.577 -1.296 1.00 1.86 H new ATOM 0 HG3 LYS A 6 83.520 1.251 -2.109 1.00 1.86 H new ATOM 0 HD2 LYS A 6 82.285 0.123 -3.977 1.00 1.94 H new ATOM 0 HD3 LYS A 6 80.764 0.424 -3.160 1.00 1.94 H new ATOM 0 HE2 LYS A 6 80.807 2.347 -4.510 1.00 2.16 H new ATOM 0 HE3 LYS A 6 81.721 2.984 -3.157 1.00 2.16 H new ATOM 0 HZ1 LYS A 6 82.963 3.228 -5.246 1.00 2.91 H new ATOM 0 HZ2 LYS A 6 83.780 2.169 -4.200 1.00 2.91 H new ATOM 0 HZ3 LYS A 6 82.895 1.552 -5.510 1.00 2.91 H new ATOM 106 N ALA A 7 81.678 -2.484 1.002 1.00 1.13 N ATOM 107 CA ALA A 7 81.680 -3.862 1.572 1.00 1.14 C ATOM 108 C ALA A 7 80.250 -4.304 1.891 1.00 1.06 C ATOM 109 O ALA A 7 79.936 -5.478 1.882 1.00 1.10 O ATOM 110 CB ALA A 7 82.509 -3.760 2.852 1.00 1.20 C ATOM 0 H ALA A 7 82.100 -1.768 1.594 1.00 1.13 H new ATOM 0 HA ALA A 7 82.091 -4.596 0.878 1.00 1.14 H new ATOM 0 HB1 ALA A 7 82.558 -4.737 3.332 1.00 1.20 H new ATOM 0 HB2 ALA A 7 83.517 -3.425 2.607 1.00 1.20 H new ATOM 0 HB3 ALA A 7 82.044 -3.045 3.531 1.00 1.20 H new ATOM 116 N ALA A 8 79.379 -3.373 2.172 1.00 0.99 N ATOM 117 CA ALA A 8 77.971 -3.743 2.490 1.00 0.95 C ATOM 118 C ALA A 8 77.407 -4.661 1.402 1.00 0.95 C ATOM 119 O ALA A 8 76.800 -5.674 1.684 1.00 1.02 O ATOM 120 CB ALA A 8 77.210 -2.416 2.522 1.00 0.91 C ATOM 0 H ALA A 8 79.582 -2.374 2.195 1.00 0.99 H new ATOM 0 HA ALA A 8 77.888 -4.282 3.434 1.00 0.95 H new ATOM 0 HB1 ALA A 8 76.161 -2.604 2.751 1.00 0.91 H new ATOM 0 HB2 ALA A 8 77.638 -1.769 3.288 1.00 0.91 H new ATOM 0 HB3 ALA A 8 77.288 -1.928 1.550 1.00 0.91 H new ATOM 126 N VAL A 9 77.604 -4.313 0.159 1.00 0.97 N ATOM 127 CA VAL A 9 77.081 -5.167 -0.945 1.00 1.07 C ATOM 128 C VAL A 9 77.948 -6.420 -1.100 1.00 1.16 C ATOM 129 O VAL A 9 77.467 -7.478 -1.453 1.00 1.18 O ATOM 130 CB VAL A 9 77.171 -4.294 -2.197 1.00 1.21 C ATOM 131 CG1 VAL A 9 76.526 -5.024 -3.377 1.00 1.89 C ATOM 132 CG2 VAL A 9 76.435 -2.974 -1.953 1.00 1.49 C ATOM 0 H VAL A 9 78.104 -3.475 -0.139 1.00 0.97 H new ATOM 0 HA VAL A 9 76.062 -5.507 -0.758 1.00 1.07 H new ATOM 0 HB VAL A 9 78.218 -4.092 -2.423 1.00 1.21 H new ATOM 0 HG11 VAL A 9 76.590 -4.401 -4.269 1.00 1.89 H new ATOM 0 HG12 VAL A 9 77.048 -5.965 -3.552 1.00 1.89 H new ATOM 0 HG13 VAL A 9 75.479 -5.227 -3.151 1.00 1.89 H new ATOM 0 HG21 VAL A 9 76.499 -2.351 -2.845 1.00 1.49 H new ATOM 0 HG22 VAL A 9 75.388 -3.177 -1.727 1.00 1.49 H new ATOM 0 HG23 VAL A 9 76.893 -2.452 -1.113 1.00 1.49 H new ATOM 142 N GLU A 10 79.222 -6.308 -0.838 1.00 1.28 N ATOM 143 CA GLU A 10 80.117 -7.493 -0.969 1.00 1.44 C ATOM 144 C GLU A 10 79.616 -8.633 -0.080 1.00 1.41 C ATOM 145 O GLU A 10 79.940 -9.785 -0.288 1.00 1.54 O ATOM 146 CB GLU A 10 81.489 -7.007 -0.499 1.00 1.68 C ATOM 147 CG GLU A 10 82.496 -8.156 -0.584 1.00 2.16 C ATOM 148 CD GLU A 10 83.546 -7.836 -1.649 1.00 2.64 C ATOM 149 OE1 GLU A 10 83.924 -6.681 -1.754 1.00 3.13 O ATOM 150 OE2 GLU A 10 83.954 -8.753 -2.344 1.00 3.13 O ATOM 0 H GLU A 10 79.681 -5.448 -0.539 1.00 1.28 H new ATOM 0 HA GLU A 10 80.149 -7.877 -1.989 1.00 1.44 H new ATOM 0 HB2 GLU A 10 81.821 -6.172 -1.116 1.00 1.68 H new ATOM 0 HB3 GLU A 10 81.425 -6.641 0.526 1.00 1.68 H new ATOM 0 HG2 GLU A 10 82.977 -8.305 0.383 1.00 2.16 H new ATOM 0 HG3 GLU A 10 81.983 -9.086 -0.831 1.00 2.16 H new ATOM 157 N GLN A 11 78.827 -8.320 0.912 1.00 1.37 N ATOM 158 CA GLN A 11 78.304 -9.386 1.815 1.00 1.43 C ATOM 159 C GLN A 11 77.074 -10.050 1.192 1.00 1.24 C ATOM 160 O GLN A 11 76.912 -11.253 1.244 1.00 1.31 O ATOM 161 CB GLN A 11 77.923 -8.657 3.104 1.00 1.58 C ATOM 162 CG GLN A 11 78.808 -9.151 4.251 1.00 1.88 C ATOM 163 CD GLN A 11 79.926 -8.138 4.506 1.00 2.09 C ATOM 164 OE1 GLN A 11 80.072 -7.180 3.774 1.00 2.64 O ATOM 165 NE2 GLN A 11 80.726 -8.311 5.521 1.00 2.48 N ATOM 0 H GLN A 11 78.522 -7.373 1.136 1.00 1.37 H new ATOM 0 HA GLN A 11 79.035 -10.175 1.991 1.00 1.43 H new ATOM 0 HB2 GLN A 11 78.043 -7.581 2.975 1.00 1.58 H new ATOM 0 HB3 GLN A 11 76.873 -8.835 3.338 1.00 1.58 H new ATOM 0 HG2 GLN A 11 78.211 -9.285 5.153 1.00 1.88 H new ATOM 0 HG3 GLN A 11 79.233 -10.123 4.003 1.00 1.88 H new ATOM 0 HE21 GLN A 11 80.603 -9.116 6.136 1.00 2.48 H new ATOM 0 HE22 GLN A 11 81.475 -7.642 5.700 1.00 2.48 H new ATOM 174 N LEU A 12 76.204 -9.275 0.603 1.00 1.24 N ATOM 175 CA LEU A 12 74.986 -9.862 -0.023 1.00 1.13 C ATOM 176 C LEU A 12 75.380 -10.874 -1.102 1.00 1.02 C ATOM 177 O LEU A 12 76.159 -10.581 -1.987 1.00 1.28 O ATOM 178 CB LEU A 12 74.249 -8.675 -0.645 1.00 1.12 C ATOM 179 CG LEU A 12 73.898 -7.662 0.446 1.00 1.28 C ATOM 180 CD1 LEU A 12 73.071 -6.526 -0.159 1.00 2.02 C ATOM 181 CD2 LEU A 12 73.087 -8.356 1.542 1.00 1.49 C ATOM 0 H LEU A 12 76.285 -8.261 0.529 1.00 1.24 H new ATOM 0 HA LEU A 12 74.367 -10.394 0.699 1.00 1.13 H new ATOM 0 HB2 LEU A 12 74.872 -8.205 -1.405 1.00 1.12 H new ATOM 0 HB3 LEU A 12 73.342 -9.017 -1.143 1.00 1.12 H new ATOM 0 HG LEU A 12 74.814 -7.255 0.873 1.00 1.28 H new ATOM 0 HD11 LEU A 12 72.821 -5.804 0.618 1.00 2.02 H new ATOM 0 HD12 LEU A 12 73.648 -6.032 -0.941 1.00 2.02 H new ATOM 0 HD13 LEU A 12 72.154 -6.931 -0.586 1.00 2.02 H new ATOM 0 HD21 LEU A 12 72.836 -7.635 2.320 1.00 1.49 H new ATOM 0 HD22 LEU A 12 72.170 -8.762 1.114 1.00 1.49 H new ATOM 0 HD23 LEU A 12 73.676 -9.165 1.973 1.00 1.49 H new ATOM 193 N THR A 13 74.847 -12.063 -1.037 1.00 0.93 N ATOM 194 CA THR A 13 75.193 -13.092 -2.059 1.00 0.93 C ATOM 195 C THR A 13 74.341 -12.892 -3.317 1.00 0.88 C ATOM 196 O THR A 13 73.575 -11.955 -3.416 1.00 0.86 O ATOM 197 CB THR A 13 74.869 -14.432 -1.399 1.00 1.03 C ATOM 198 OG1 THR A 13 73.461 -14.613 -1.361 1.00 1.13 O ATOM 199 CG2 THR A 13 75.426 -14.448 0.026 1.00 1.20 C ATOM 0 H THR A 13 74.187 -12.367 -0.321 1.00 0.93 H new ATOM 0 HA THR A 13 76.237 -13.034 -2.368 1.00 0.93 H new ATOM 0 HB THR A 13 75.323 -15.239 -1.974 1.00 1.03 H new ATOM 0 HG1 THR A 13 73.253 -15.473 -0.939 1.00 1.13 H new ATOM 0 HG21 THR A 13 75.195 -15.404 0.496 1.00 1.20 H new ATOM 0 HG22 THR A 13 76.507 -14.311 -0.004 1.00 1.20 H new ATOM 0 HG23 THR A 13 74.974 -13.641 0.603 1.00 1.20 H new ATOM 207 N GLU A 14 74.470 -13.766 -4.278 1.00 0.88 N ATOM 208 CA GLU A 14 73.668 -13.624 -5.528 1.00 0.87 C ATOM 209 C GLU A 14 72.187 -13.887 -5.239 1.00 0.82 C ATOM 210 O GLU A 14 71.326 -13.111 -5.602 1.00 0.79 O ATOM 211 CB GLU A 14 74.224 -14.682 -6.480 1.00 0.99 C ATOM 212 CG GLU A 14 75.132 -14.012 -7.514 1.00 1.98 C ATOM 213 CD GLU A 14 74.736 -14.474 -8.918 1.00 2.36 C ATOM 214 OE1 GLU A 14 74.313 -15.611 -9.049 1.00 2.36 O ATOM 215 OE2 GLU A 14 74.860 -13.682 -9.838 1.00 3.17 O ATOM 0 H GLU A 14 75.095 -14.572 -4.252 1.00 0.88 H new ATOM 0 HA GLU A 14 73.736 -12.621 -5.950 1.00 0.87 H new ATOM 0 HB2 GLU A 14 74.784 -15.432 -5.921 1.00 0.99 H new ATOM 0 HB3 GLU A 14 73.407 -15.202 -6.980 1.00 0.99 H new ATOM 0 HG2 GLU A 14 75.048 -12.928 -7.439 1.00 1.98 H new ATOM 0 HG3 GLU A 14 76.174 -14.265 -7.317 1.00 1.98 H new ATOM 222 N GLU A 15 71.885 -14.976 -4.586 1.00 0.85 N ATOM 223 CA GLU A 15 70.461 -15.289 -4.275 1.00 0.84 C ATOM 224 C GLU A 15 69.807 -14.111 -3.546 1.00 0.76 C ATOM 225 O GLU A 15 68.616 -13.897 -3.639 1.00 0.70 O ATOM 226 CB GLU A 15 70.514 -16.519 -3.368 1.00 0.92 C ATOM 227 CG GLU A 15 71.191 -17.673 -4.112 1.00 1.49 C ATOM 228 CD GLU A 15 72.341 -18.220 -3.263 1.00 1.88 C ATOM 229 OE1 GLU A 15 72.352 -17.952 -2.072 1.00 2.62 O ATOM 230 OE2 GLU A 15 73.191 -18.897 -3.818 1.00 2.07 O ATOM 0 H GLU A 15 72.563 -15.662 -4.254 1.00 0.85 H new ATOM 0 HA GLU A 15 69.873 -15.471 -5.174 1.00 0.84 H new ATOM 0 HB2 GLU A 15 71.064 -16.288 -2.456 1.00 0.92 H new ATOM 0 HB3 GLU A 15 69.506 -16.807 -3.068 1.00 0.92 H new ATOM 0 HG2 GLU A 15 70.468 -18.462 -4.316 1.00 1.49 H new ATOM 0 HG3 GLU A 15 71.567 -17.328 -5.075 1.00 1.49 H new ATOM 237 N GLN A 16 70.578 -13.350 -2.818 1.00 0.79 N ATOM 238 CA GLN A 16 69.999 -12.189 -2.083 1.00 0.74 C ATOM 239 C GLN A 16 69.815 -11.001 -3.031 1.00 0.68 C ATOM 240 O GLN A 16 68.719 -10.516 -3.228 1.00 0.67 O ATOM 241 CB GLN A 16 71.022 -11.859 -0.996 1.00 0.79 C ATOM 242 CG GLN A 16 70.952 -12.916 0.108 1.00 0.88 C ATOM 243 CD GLN A 16 71.874 -12.515 1.261 1.00 1.70 C ATOM 244 OE1 GLN A 16 72.771 -13.251 1.622 1.00 2.53 O ATOM 245 NE2 GLN A 16 71.689 -11.369 1.859 1.00 2.20 N ATOM 0 H GLN A 16 71.583 -13.482 -2.700 1.00 0.79 H new ATOM 0 HA GLN A 16 69.018 -12.412 -1.663 1.00 0.74 H new ATOM 0 HB2 GLN A 16 72.025 -11.829 -1.422 1.00 0.79 H new ATOM 0 HB3 GLN A 16 70.822 -10.871 -0.581 1.00 0.79 H new ATOM 0 HG2 GLN A 16 69.927 -13.015 0.466 1.00 0.88 H new ATOM 0 HG3 GLN A 16 71.248 -13.888 -0.286 1.00 0.88 H new ATOM 0 HE21 GLN A 16 70.936 -10.751 1.556 1.00 2.20 H new ATOM 0 HE22 GLN A 16 72.297 -11.092 2.629 1.00 2.20 H new ATOM 254 N LYS A 17 70.880 -10.527 -3.619 1.00 0.69 N ATOM 255 CA LYS A 17 70.762 -9.371 -4.553 1.00 0.68 C ATOM 256 C LYS A 17 69.557 -9.561 -5.479 1.00 0.62 C ATOM 257 O LYS A 17 68.786 -8.650 -5.704 1.00 0.57 O ATOM 258 CB LYS A 17 72.061 -9.378 -5.359 1.00 0.79 C ATOM 259 CG LYS A 17 72.950 -8.220 -4.902 1.00 1.01 C ATOM 260 CD LYS A 17 73.805 -7.736 -6.074 1.00 1.53 C ATOM 261 CE LYS A 17 75.277 -8.052 -5.797 1.00 1.70 C ATOM 262 NZ LYS A 17 76.015 -6.820 -6.190 1.00 2.33 N ATOM 0 H LYS A 17 71.825 -10.890 -3.493 1.00 0.69 H new ATOM 0 HA LYS A 17 70.614 -8.428 -4.026 1.00 0.68 H new ATOM 0 HB2 LYS A 17 72.581 -10.326 -5.222 1.00 0.79 H new ATOM 0 HB3 LYS A 17 71.842 -9.285 -6.423 1.00 0.79 H new ATOM 0 HG2 LYS A 17 72.335 -7.403 -4.526 1.00 1.01 H new ATOM 0 HG3 LYS A 17 73.590 -8.542 -4.080 1.00 1.01 H new ATOM 0 HD2 LYS A 17 73.485 -8.221 -6.996 1.00 1.53 H new ATOM 0 HD3 LYS A 17 73.673 -6.663 -6.216 1.00 1.53 H new ATOM 0 HE2 LYS A 17 75.439 -8.291 -4.746 1.00 1.70 H new ATOM 0 HE3 LYS A 17 75.611 -8.914 -6.375 1.00 1.70 H new ATOM 0 HZ1 LYS A 17 77.011 -6.906 -5.905 1.00 2.33 H new ATOM 0 HZ2 LYS A 17 75.960 -6.696 -7.221 1.00 2.33 H new ATOM 0 HZ3 LYS A 17 75.590 -5.996 -5.719 1.00 2.33 H new ATOM 276 N ASN A 18 69.390 -10.739 -6.014 1.00 0.65 N ATOM 277 CA ASN A 18 68.234 -10.987 -6.923 1.00 0.64 C ATOM 278 C ASN A 18 66.930 -10.557 -6.246 1.00 0.58 C ATOM 279 O ASN A 18 66.167 -9.780 -6.784 1.00 0.56 O ATOM 280 CB ASN A 18 68.239 -12.496 -7.167 1.00 0.73 C ATOM 281 CG ASN A 18 69.341 -12.849 -8.169 1.00 0.91 C ATOM 282 OD1 ASN A 18 69.659 -12.063 -9.041 1.00 1.55 O ATOM 283 ND2 ASN A 18 69.940 -14.004 -8.083 1.00 1.35 N ATOM 0 H ASN A 18 70.003 -11.540 -5.862 1.00 0.65 H new ATOM 0 HA ASN A 18 68.311 -10.424 -7.853 1.00 0.64 H new ATOM 0 HB2 ASN A 18 68.403 -13.026 -6.229 1.00 0.73 H new ATOM 0 HB3 ASN A 18 67.270 -12.816 -7.549 1.00 0.73 H new ATOM 0 HD21 ASN A 18 70.675 -14.248 -8.747 1.00 1.35 H new ATOM 0 HD22 ASN A 18 69.674 -14.663 -7.352 1.00 1.35 H new ATOM 290 N GLU A 19 66.671 -11.054 -5.067 1.00 0.62 N ATOM 291 CA GLU A 19 65.417 -10.670 -4.356 1.00 0.64 C ATOM 292 C GLU A 19 65.325 -9.147 -4.236 1.00 0.58 C ATOM 293 O GLU A 19 64.261 -8.569 -4.343 1.00 0.61 O ATOM 294 CB GLU A 19 65.535 -11.310 -2.971 1.00 0.75 C ATOM 295 CG GLU A 19 64.212 -11.984 -2.604 1.00 1.47 C ATOM 296 CD GLU A 19 64.353 -12.687 -1.254 1.00 2.01 C ATOM 297 OE1 GLU A 19 64.349 -11.999 -0.246 1.00 2.50 O ATOM 298 OE2 GLU A 19 64.462 -13.902 -1.249 1.00 2.64 O ATOM 0 H GLU A 19 67.272 -11.708 -4.566 1.00 0.62 H new ATOM 0 HA GLU A 19 64.523 -11.003 -4.884 1.00 0.64 H new ATOM 0 HB2 GLU A 19 66.342 -12.043 -2.965 1.00 0.75 H new ATOM 0 HB3 GLU A 19 65.787 -10.552 -2.229 1.00 0.75 H new ATOM 0 HG2 GLU A 19 63.415 -11.242 -2.558 1.00 1.47 H new ATOM 0 HG3 GLU A 19 63.933 -12.704 -3.373 1.00 1.47 H new ATOM 305 N PHE A 20 66.432 -8.492 -4.017 1.00 0.58 N ATOM 306 CA PHE A 20 66.409 -7.006 -3.891 1.00 0.59 C ATOM 307 C PHE A 20 66.284 -6.364 -5.275 1.00 0.53 C ATOM 308 O PHE A 20 65.596 -5.379 -5.452 1.00 0.54 O ATOM 309 CB PHE A 20 67.750 -6.645 -3.248 1.00 0.67 C ATOM 310 CG PHE A 20 67.612 -6.644 -1.742 1.00 1.04 C ATOM 311 CD1 PHE A 20 66.526 -7.286 -1.130 1.00 1.87 C ATOM 312 CD2 PHE A 20 68.575 -5.998 -0.955 1.00 1.85 C ATOM 313 CE1 PHE A 20 66.404 -7.282 0.262 1.00 2.57 C ATOM 314 CE2 PHE A 20 68.451 -5.995 0.440 1.00 2.52 C ATOM 315 CZ PHE A 20 67.366 -6.637 1.049 1.00 2.67 C ATOM 0 H PHE A 20 67.352 -8.921 -3.920 1.00 0.58 H new ATOM 0 HA PHE A 20 65.565 -6.651 -3.299 1.00 0.59 H new ATOM 0 HB2 PHE A 20 68.514 -7.361 -3.552 1.00 0.67 H new ATOM 0 HB3 PHE A 20 68.077 -5.664 -3.593 1.00 0.67 H new ATOM 0 HD1 PHE A 20 65.783 -7.784 -1.735 1.00 1.87 H new ATOM 0 HD2 PHE A 20 69.412 -5.503 -1.424 1.00 1.85 H new ATOM 0 HE1 PHE A 20 65.567 -7.777 0.731 1.00 2.57 H new ATOM 0 HE2 PHE A 20 69.193 -5.497 1.047 1.00 2.52 H new ATOM 0 HZ PHE A 20 67.271 -6.635 2.125 1.00 2.67 H new ATOM 325 N LYS A 21 66.944 -6.913 -6.256 1.00 0.53 N ATOM 326 CA LYS A 21 66.860 -6.333 -7.626 1.00 0.53 C ATOM 327 C LYS A 21 65.396 -6.173 -8.039 1.00 0.50 C ATOM 328 O LYS A 21 65.012 -5.184 -8.631 1.00 0.63 O ATOM 329 CB LYS A 21 67.564 -7.347 -8.530 1.00 0.61 C ATOM 330 CG LYS A 21 67.332 -6.972 -9.995 1.00 0.68 C ATOM 331 CD LYS A 21 66.818 -8.194 -10.759 1.00 1.26 C ATOM 332 CE LYS A 21 65.287 -8.206 -10.736 1.00 1.85 C ATOM 333 NZ LYS A 21 64.880 -7.829 -12.118 1.00 1.94 N ATOM 0 H LYS A 21 67.538 -7.738 -6.169 1.00 0.53 H new ATOM 0 HA LYS A 21 67.319 -5.346 -7.687 1.00 0.53 H new ATOM 0 HB2 LYS A 21 68.632 -7.364 -8.313 1.00 0.61 H new ATOM 0 HB3 LYS A 21 67.183 -8.350 -8.335 1.00 0.61 H new ATOM 0 HG2 LYS A 21 66.611 -6.157 -10.063 1.00 0.68 H new ATOM 0 HG3 LYS A 21 68.260 -6.615 -10.441 1.00 0.68 H new ATOM 0 HD2 LYS A 21 67.176 -8.170 -11.788 1.00 1.26 H new ATOM 0 HD3 LYS A 21 67.206 -9.107 -10.308 1.00 1.26 H new ATOM 0 HE2 LYS A 21 64.904 -9.190 -10.466 1.00 1.85 H new ATOM 0 HE3 LYS A 21 64.897 -7.500 -10.003 1.00 1.85 H new ATOM 0 HZ1 LYS A 21 63.842 -7.815 -12.183 1.00 1.94 H new ATOM 0 HZ2 LYS A 21 65.254 -6.885 -12.345 1.00 1.94 H new ATOM 0 HZ3 LYS A 21 65.260 -8.523 -12.793 1.00 1.94 H new ATOM 347 N ALA A 22 64.574 -7.138 -7.729 1.00 0.51 N ATOM 348 CA ALA A 22 63.134 -7.041 -8.103 1.00 0.60 C ATOM 349 C ALA A 22 62.403 -6.081 -7.160 1.00 0.51 C ATOM 350 O ALA A 22 61.832 -5.097 -7.584 1.00 0.50 O ATOM 351 CB ALA A 22 62.589 -8.460 -7.952 1.00 0.76 C ATOM 0 H ALA A 22 64.837 -7.990 -7.233 1.00 0.51 H new ATOM 0 HA ALA A 22 62.996 -6.657 -9.114 1.00 0.60 H new ATOM 0 HB1 ALA A 22 61.530 -8.472 -8.210 1.00 0.76 H new ATOM 0 HB2 ALA A 22 63.133 -9.131 -8.617 1.00 0.76 H new ATOM 0 HB3 ALA A 22 62.715 -8.790 -6.921 1.00 0.76 H new ATOM 357 N ALA A 23 62.418 -6.360 -5.884 1.00 0.51 N ATOM 358 CA ALA A 23 61.720 -5.461 -4.917 1.00 0.47 C ATOM 359 C ALA A 23 61.993 -3.996 -5.268 1.00 0.43 C ATOM 360 O ALA A 23 61.200 -3.121 -4.983 1.00 0.46 O ATOM 361 CB ALA A 23 62.315 -5.804 -3.551 1.00 0.58 C ATOM 0 H ALA A 23 62.882 -7.169 -5.470 1.00 0.51 H new ATOM 0 HA ALA A 23 60.639 -5.597 -4.934 1.00 0.47 H new ATOM 0 HB1 ALA A 23 61.851 -5.182 -2.785 1.00 0.58 H new ATOM 0 HB2 ALA A 23 62.130 -6.855 -3.327 1.00 0.58 H new ATOM 0 HB3 ALA A 23 63.389 -5.620 -3.565 1.00 0.58 H new ATOM 367 N PHE A 24 63.110 -3.725 -5.885 1.00 0.54 N ATOM 368 CA PHE A 24 63.437 -2.320 -6.256 1.00 0.56 C ATOM 369 C PHE A 24 62.722 -1.937 -7.556 1.00 0.56 C ATOM 370 O PHE A 24 62.005 -0.959 -7.616 1.00 0.60 O ATOM 371 CB PHE A 24 64.952 -2.317 -6.453 1.00 0.66 C ATOM 372 CG PHE A 24 65.409 -0.938 -6.854 1.00 0.60 C ATOM 373 CD1 PHE A 24 65.440 -0.579 -8.206 1.00 1.45 C ATOM 374 CD2 PHE A 24 65.803 -0.019 -5.875 1.00 1.24 C ATOM 375 CE1 PHE A 24 65.867 0.702 -8.580 1.00 1.61 C ATOM 376 CE2 PHE A 24 66.229 1.261 -6.249 1.00 1.24 C ATOM 377 CZ PHE A 24 66.261 1.621 -7.601 1.00 0.94 C ATOM 0 H PHE A 24 63.811 -4.417 -6.149 1.00 0.54 H new ATOM 0 HA PHE A 24 63.120 -1.602 -5.500 1.00 0.56 H new ATOM 0 HB2 PHE A 24 65.449 -2.622 -5.532 1.00 0.66 H new ATOM 0 HB3 PHE A 24 65.230 -3.040 -7.220 1.00 0.66 H new ATOM 0 HD1 PHE A 24 65.135 -1.289 -8.961 1.00 1.45 H new ATOM 0 HD2 PHE A 24 65.778 -0.297 -4.832 1.00 1.24 H new ATOM 0 HE1 PHE A 24 65.892 0.980 -9.623 1.00 1.61 H new ATOM 0 HE2 PHE A 24 66.533 1.971 -5.494 1.00 1.24 H new ATOM 0 HZ PHE A 24 66.590 2.609 -7.889 1.00 0.94 H new ATOM 387 N ASP A 25 62.915 -2.701 -8.595 1.00 0.58 N ATOM 388 CA ASP A 25 62.249 -2.384 -9.892 1.00 0.64 C ATOM 389 C ASP A 25 60.728 -2.505 -9.755 1.00 0.66 C ATOM 390 O ASP A 25 59.982 -2.061 -10.605 1.00 0.76 O ATOM 391 CB ASP A 25 62.782 -3.429 -10.873 1.00 0.68 C ATOM 392 CG ASP A 25 63.362 -2.728 -12.103 1.00 1.05 C ATOM 393 OD1 ASP A 25 62.621 -2.017 -12.760 1.00 1.78 O ATOM 394 OD2 ASP A 25 64.540 -2.915 -12.367 1.00 1.58 O ATOM 0 H ASP A 25 63.506 -3.533 -8.603 1.00 0.58 H new ATOM 0 HA ASP A 25 62.456 -1.366 -10.223 1.00 0.64 H new ATOM 0 HB2 ASP A 25 63.549 -4.036 -10.392 1.00 0.68 H new ATOM 0 HB3 ASP A 25 61.981 -4.105 -11.171 1.00 0.68 H new ATOM 399 N ILE A 26 60.263 -3.108 -8.695 1.00 0.61 N ATOM 400 CA ILE A 26 58.793 -3.266 -8.508 1.00 0.67 C ATOM 401 C ILE A 26 58.164 -1.970 -7.985 1.00 0.73 C ATOM 402 O ILE A 26 56.974 -1.899 -7.754 1.00 0.99 O ATOM 403 CB ILE A 26 58.654 -4.379 -7.478 1.00 0.70 C ATOM 404 CG1 ILE A 26 58.968 -5.717 -8.146 1.00 0.66 C ATOM 405 CG2 ILE A 26 57.226 -4.402 -6.933 1.00 0.83 C ATOM 406 CD1 ILE A 26 58.629 -6.848 -7.182 1.00 0.84 C ATOM 0 H ILE A 26 60.839 -3.499 -7.949 1.00 0.61 H new ATOM 0 HA ILE A 26 58.285 -3.498 -9.444 1.00 0.67 H new ATOM 0 HB ILE A 26 59.347 -4.205 -6.655 1.00 0.70 H new ATOM 0 HG12 ILE A 26 58.393 -5.822 -9.066 1.00 0.66 H new ATOM 0 HG13 ILE A 26 60.022 -5.761 -8.422 1.00 0.66 H new ATOM 0 HG21 ILE A 26 57.131 -5.200 -6.196 1.00 0.83 H new ATOM 0 HG22 ILE A 26 57.001 -3.445 -6.463 1.00 0.83 H new ATOM 0 HG23 ILE A 26 56.527 -4.578 -7.751 1.00 0.83 H new ATOM 0 HD11 ILE A 26 58.851 -7.806 -7.653 1.00 0.84 H new ATOM 0 HD12 ILE A 26 59.224 -6.743 -6.275 1.00 0.84 H new ATOM 0 HD13 ILE A 26 57.570 -6.805 -6.929 1.00 0.84 H new ATOM 418 N PHE A 27 58.949 -0.945 -7.792 1.00 0.57 N ATOM 419 CA PHE A 27 58.378 0.335 -7.280 1.00 0.63 C ATOM 420 C PHE A 27 59.130 1.534 -7.864 1.00 0.59 C ATOM 421 O PHE A 27 59.411 2.497 -7.178 1.00 0.67 O ATOM 422 CB PHE A 27 58.565 0.270 -5.764 1.00 0.70 C ATOM 423 CG PHE A 27 57.780 -0.895 -5.211 1.00 0.67 C ATOM 424 CD1 PHE A 27 56.385 -0.919 -5.328 1.00 1.17 C ATOM 425 CD2 PHE A 27 58.447 -1.953 -4.581 1.00 1.44 C ATOM 426 CE1 PHE A 27 55.657 -1.999 -4.816 1.00 1.20 C ATOM 427 CE2 PHE A 27 57.720 -3.034 -4.068 1.00 1.65 C ATOM 428 CZ PHE A 27 56.325 -3.057 -4.186 1.00 1.09 C ATOM 0 H PHE A 27 59.954 -0.937 -7.965 1.00 0.57 H new ATOM 0 HA PHE A 27 57.332 0.458 -7.560 1.00 0.63 H new ATOM 0 HB2 PHE A 27 59.622 0.158 -5.521 1.00 0.70 H new ATOM 0 HB3 PHE A 27 58.229 1.200 -5.305 1.00 0.70 H new ATOM 0 HD1 PHE A 27 55.870 -0.103 -5.814 1.00 1.17 H new ATOM 0 HD2 PHE A 27 59.523 -1.935 -4.491 1.00 1.44 H new ATOM 0 HE1 PHE A 27 54.581 -2.017 -4.907 1.00 1.20 H new ATOM 0 HE2 PHE A 27 58.235 -3.849 -3.582 1.00 1.65 H new ATOM 0 HZ PHE A 27 55.764 -3.891 -3.791 1.00 1.09 H new ATOM 438 N VAL A 28 59.452 1.488 -9.128 1.00 0.58 N ATOM 439 CA VAL A 28 60.178 2.632 -9.753 1.00 0.59 C ATOM 440 C VAL A 28 59.188 3.574 -10.439 1.00 0.64 C ATOM 441 O VAL A 28 59.507 4.223 -11.415 1.00 0.73 O ATOM 442 CB VAL A 28 61.105 1.995 -10.783 1.00 0.60 C ATOM 443 CG1 VAL A 28 62.106 3.037 -11.286 1.00 1.41 C ATOM 444 CG2 VAL A 28 61.860 0.833 -10.139 1.00 1.37 C ATOM 0 H VAL A 28 59.245 0.710 -9.754 1.00 0.58 H new ATOM 0 HA VAL A 28 60.726 3.223 -9.019 1.00 0.59 H new ATOM 0 HB VAL A 28 60.515 1.626 -11.622 1.00 0.60 H new ATOM 0 HG11 VAL A 28 62.768 2.580 -12.022 1.00 1.41 H new ATOM 0 HG12 VAL A 28 61.568 3.866 -11.746 1.00 1.41 H new ATOM 0 HG13 VAL A 28 62.696 3.408 -10.448 1.00 1.41 H new ATOM 0 HG21 VAL A 28 62.523 0.377 -10.875 1.00 1.37 H new ATOM 0 HG22 VAL A 28 62.449 1.202 -9.300 1.00 1.37 H new ATOM 0 HG23 VAL A 28 61.147 0.089 -9.783 1.00 1.37 H new ATOM 454 N LEU A 29 57.986 3.651 -9.938 1.00 0.75 N ATOM 455 CA LEU A 29 56.970 4.550 -10.566 1.00 0.91 C ATOM 456 C LEU A 29 57.308 6.027 -10.313 1.00 1.10 C ATOM 457 O LEU A 29 56.574 6.911 -10.710 1.00 1.54 O ATOM 458 CB LEU A 29 55.624 4.155 -9.932 1.00 1.17 C ATOM 459 CG LEU A 29 55.448 4.767 -8.530 1.00 1.49 C ATOM 460 CD1 LEU A 29 56.718 4.581 -7.698 1.00 2.09 C ATOM 461 CD2 LEU A 29 55.121 6.259 -8.648 1.00 1.73 C ATOM 0 H LEU A 29 57.661 3.132 -9.122 1.00 0.75 H new ATOM 0 HA LEU A 29 56.943 4.437 -11.650 1.00 0.91 H new ATOM 0 HB2 LEU A 29 54.809 4.484 -10.577 1.00 1.17 H new ATOM 0 HB3 LEU A 29 55.559 3.069 -9.865 1.00 1.17 H new ATOM 0 HG LEU A 29 54.625 4.255 -8.031 1.00 1.49 H new ATOM 0 HD11 LEU A 29 56.574 5.020 -6.711 1.00 2.09 H new ATOM 0 HD12 LEU A 29 56.932 3.517 -7.594 1.00 2.09 H new ATOM 0 HD13 LEU A 29 57.554 5.073 -8.195 1.00 2.09 H new ATOM 0 HD21 LEU A 29 54.998 6.684 -7.652 1.00 1.73 H new ATOM 0 HD22 LEU A 29 55.934 6.770 -9.163 1.00 1.73 H new ATOM 0 HD23 LEU A 29 54.198 6.386 -9.213 1.00 1.73 H new ATOM 473 N GLY A 30 58.408 6.304 -9.668 1.00 1.47 N ATOM 474 CA GLY A 30 58.783 7.721 -9.404 1.00 1.89 C ATOM 475 C GLY A 30 60.224 7.950 -9.864 1.00 1.94 C ATOM 476 O GLY A 30 60.706 7.295 -10.766 1.00 2.46 O ATOM 0 H GLY A 30 59.064 5.609 -9.312 1.00 1.47 H new ATOM 0 HA2 GLY A 30 58.108 8.394 -9.933 1.00 1.89 H new ATOM 0 HA3 GLY A 30 58.687 7.944 -8.341 1.00 1.89 H new ATOM 480 N ALA A 31 60.915 8.871 -9.252 1.00 1.89 N ATOM 481 CA ALA A 31 62.325 9.137 -9.657 1.00 2.14 C ATOM 482 C ALA A 31 62.386 9.520 -11.137 1.00 2.28 C ATOM 483 O ALA A 31 61.554 9.120 -11.928 1.00 2.46 O ATOM 484 CB ALA A 31 63.066 7.823 -9.412 1.00 1.97 C ATOM 0 H ALA A 31 60.565 9.451 -8.489 1.00 1.89 H new ATOM 0 HA ALA A 31 62.766 9.962 -9.097 1.00 2.14 H new ATOM 0 HB1 ALA A 31 64.114 7.940 -9.688 1.00 1.97 H new ATOM 0 HB2 ALA A 31 62.995 7.557 -8.357 1.00 1.97 H new ATOM 0 HB3 ALA A 31 62.618 7.034 -10.016 1.00 1.97 H new ATOM 490 N GLU A 32 63.364 10.292 -11.518 1.00 2.73 N ATOM 491 CA GLU A 32 63.475 10.699 -12.947 1.00 2.98 C ATOM 492 C GLU A 32 64.019 9.542 -13.789 1.00 2.33 C ATOM 493 O GLU A 32 64.104 9.630 -14.997 1.00 2.34 O ATOM 494 CB GLU A 32 64.455 11.873 -12.950 1.00 3.71 C ATOM 495 CG GLU A 32 63.881 13.015 -13.791 1.00 4.48 C ATOM 496 CD GLU A 32 64.957 14.079 -14.009 1.00 5.14 C ATOM 497 OE1 GLU A 32 66.107 13.798 -13.717 1.00 5.71 O ATOM 498 OE2 GLU A 32 64.613 15.157 -14.466 1.00 5.38 O ATOM 0 H GLU A 32 64.091 10.659 -10.903 1.00 2.73 H new ATOM 0 HA GLU A 32 62.510 10.973 -13.373 1.00 2.98 H new ATOM 0 HB2 GLU A 32 64.635 12.213 -11.930 1.00 3.71 H new ATOM 0 HB3 GLU A 32 65.416 11.557 -13.355 1.00 3.71 H new ATOM 0 HG2 GLU A 32 63.532 12.634 -14.751 1.00 4.48 H new ATOM 0 HG3 GLU A 32 63.018 13.453 -13.289 1.00 4.48 H new ATOM 505 N ASP A 33 64.389 8.458 -13.162 1.00 2.13 N ATOM 506 CA ASP A 33 64.928 7.303 -13.933 1.00 2.25 C ATOM 507 C ASP A 33 64.459 5.982 -13.312 1.00 1.67 C ATOM 508 O ASP A 33 63.306 5.827 -12.961 1.00 2.00 O ATOM 509 CB ASP A 33 66.448 7.445 -13.838 1.00 3.20 C ATOM 510 CG ASP A 33 66.899 7.171 -12.402 1.00 3.87 C ATOM 511 OD1 ASP A 33 66.485 7.909 -11.521 1.00 4.16 O ATOM 512 OD2 ASP A 33 67.650 6.230 -12.206 1.00 4.49 O ATOM 0 H ASP A 33 64.341 8.323 -12.152 1.00 2.13 H new ATOM 0 HA ASP A 33 64.585 7.296 -14.968 1.00 2.25 H new ATOM 0 HB2 ASP A 33 66.932 6.748 -14.522 1.00 3.20 H new ATOM 0 HB3 ASP A 33 66.749 8.448 -14.140 1.00 3.20 H new ATOM 517 N GLY A 34 65.341 5.029 -13.178 1.00 1.10 N ATOM 518 CA GLY A 34 64.942 3.721 -12.586 1.00 1.18 C ATOM 519 C GLY A 34 65.212 3.738 -11.082 1.00 0.92 C ATOM 520 O GLY A 34 66.010 2.975 -10.575 1.00 1.03 O ATOM 0 H GLY A 34 66.321 5.100 -13.453 1.00 1.10 H new ATOM 0 HA2 GLY A 34 63.885 3.532 -12.774 1.00 1.18 H new ATOM 0 HA3 GLY A 34 65.500 2.911 -13.057 1.00 1.18 H new ATOM 524 N CYS A 35 64.552 4.604 -10.364 1.00 0.78 N ATOM 525 CA CYS A 35 64.771 4.670 -8.890 1.00 0.68 C ATOM 526 C CYS A 35 63.431 4.805 -8.162 1.00 0.69 C ATOM 527 O CYS A 35 62.384 4.854 -8.775 1.00 0.89 O ATOM 528 CB CYS A 35 65.631 5.916 -8.676 1.00 0.78 C ATOM 529 SG CYS A 35 67.229 5.693 -9.496 1.00 1.27 S ATOM 0 H CYS A 35 63.871 5.268 -10.733 1.00 0.78 H new ATOM 0 HA CYS A 35 65.251 3.772 -8.500 1.00 0.68 H new ATOM 0 HB2 CYS A 35 65.124 6.794 -9.076 1.00 0.78 H new ATOM 0 HB3 CYS A 35 65.778 6.091 -7.610 1.00 0.78 H new ATOM 0 HG CYS A 35 67.038 5.432 -10.755 1.00 1.27 H new ATOM 535 N ILE A 36 63.455 4.864 -6.858 1.00 0.57 N ATOM 536 CA ILE A 36 62.178 4.993 -6.099 1.00 0.57 C ATOM 537 C ILE A 36 62.211 6.239 -5.213 1.00 0.50 C ATOM 538 O ILE A 36 63.243 6.853 -5.026 1.00 0.60 O ATOM 539 CB ILE A 36 62.095 3.728 -5.245 1.00 0.63 C ATOM 540 CG1 ILE A 36 63.168 3.773 -4.155 1.00 0.60 C ATOM 541 CG2 ILE A 36 62.322 2.503 -6.132 1.00 0.72 C ATOM 542 CD1 ILE A 36 63.064 2.518 -3.286 1.00 0.75 C ATOM 0 H ILE A 36 64.300 4.829 -6.287 1.00 0.57 H new ATOM 0 HA ILE A 36 61.316 5.097 -6.758 1.00 0.57 H new ATOM 0 HB ILE A 36 61.111 3.667 -4.781 1.00 0.63 H new ATOM 0 HG12 ILE A 36 64.158 3.835 -4.607 1.00 0.60 H new ATOM 0 HG13 ILE A 36 63.041 4.665 -3.541 1.00 0.60 H new ATOM 0 HG21 ILE A 36 62.263 1.599 -5.526 1.00 0.72 H new ATOM 0 HG22 ILE A 36 61.558 2.469 -6.908 1.00 0.72 H new ATOM 0 HG23 ILE A 36 63.307 2.566 -6.595 1.00 0.72 H new ATOM 0 HD11 ILE A 36 63.828 2.549 -2.509 1.00 0.75 H new ATOM 0 HD12 ILE A 36 62.078 2.476 -2.824 1.00 0.75 H new ATOM 0 HD13 ILE A 36 63.212 1.633 -3.905 1.00 0.75 H new ATOM 554 N SER A 37 61.089 6.619 -4.667 1.00 0.54 N ATOM 555 CA SER A 37 61.057 7.826 -3.793 1.00 0.50 C ATOM 556 C SER A 37 61.284 7.427 -2.334 1.00 0.48 C ATOM 557 O SER A 37 60.830 6.393 -1.885 1.00 0.60 O ATOM 558 CB SER A 37 59.659 8.413 -3.980 1.00 0.55 C ATOM 559 OG SER A 37 59.770 9.761 -4.421 1.00 1.02 O ATOM 0 H SER A 37 60.193 6.146 -4.788 1.00 0.54 H new ATOM 0 HA SER A 37 61.836 8.544 -4.049 1.00 0.50 H new ATOM 0 HB2 SER A 37 59.100 7.825 -4.708 1.00 0.55 H new ATOM 0 HB3 SER A 37 59.105 8.370 -3.042 1.00 0.55 H new ATOM 0 HG SER A 37 58.875 10.140 -4.544 1.00 1.02 H new ATOM 565 N THR A 38 61.981 8.239 -1.589 1.00 0.48 N ATOM 566 CA THR A 38 62.234 7.905 -0.158 1.00 0.53 C ATOM 567 C THR A 38 60.906 7.752 0.590 1.00 0.53 C ATOM 568 O THR A 38 60.857 7.238 1.689 1.00 0.59 O ATOM 569 CB THR A 38 63.029 9.091 0.391 1.00 0.64 C ATOM 570 OG1 THR A 38 62.292 10.288 0.183 1.00 0.62 O ATOM 571 CG2 THR A 38 64.373 9.183 -0.333 1.00 0.85 C ATOM 0 H THR A 38 62.386 9.119 -1.908 1.00 0.48 H new ATOM 0 HA THR A 38 62.774 6.965 -0.040 1.00 0.53 H new ATOM 0 HB THR A 38 63.203 8.952 1.458 1.00 0.64 H new ATOM 0 HG1 THR A 38 62.798 11.049 0.535 1.00 0.62 H new ATOM 0 HG21 THR A 38 64.940 10.028 0.058 1.00 0.85 H new ATOM 0 HG22 THR A 38 64.936 8.263 -0.173 1.00 0.85 H new ATOM 0 HG23 THR A 38 64.202 9.323 -1.400 1.00 0.85 H new ATOM 579 N LYS A 39 59.828 8.194 0.000 1.00 0.60 N ATOM 580 CA LYS A 39 58.504 8.072 0.676 1.00 0.73 C ATOM 581 C LYS A 39 57.928 6.668 0.466 1.00 0.66 C ATOM 582 O LYS A 39 57.045 6.237 1.180 1.00 0.87 O ATOM 583 CB LYS A 39 57.618 9.120 0.001 1.00 0.90 C ATOM 584 CG LYS A 39 56.517 9.559 0.969 1.00 1.78 C ATOM 585 CD LYS A 39 55.152 9.389 0.300 1.00 2.12 C ATOM 586 CE LYS A 39 54.590 10.762 -0.073 1.00 2.70 C ATOM 587 NZ LYS A 39 53.534 10.484 -1.086 1.00 2.96 N ATOM 0 H LYS A 39 59.807 8.634 -0.920 1.00 0.60 H new ATOM 0 HA LYS A 39 58.575 8.228 1.752 1.00 0.73 H new ATOM 0 HB2 LYS A 39 58.217 9.980 -0.298 1.00 0.90 H new ATOM 0 HB3 LYS A 39 57.176 8.708 -0.906 1.00 0.90 H new ATOM 0 HG2 LYS A 39 56.563 8.965 1.882 1.00 1.78 H new ATOM 0 HG3 LYS A 39 56.665 10.600 1.258 1.00 1.78 H new ATOM 0 HD2 LYS A 39 55.247 8.769 -0.592 1.00 2.12 H new ATOM 0 HD3 LYS A 39 54.467 8.875 0.974 1.00 2.12 H new ATOM 0 HE2 LYS A 39 54.177 11.269 0.799 1.00 2.70 H new ATOM 0 HE3 LYS A 39 55.367 11.409 -0.480 1.00 2.70 H new ATOM 0 HZ1 LYS A 39 53.101 11.379 -1.391 1.00 2.96 H new ATOM 0 HZ2 LYS A 39 53.958 10.007 -1.907 1.00 2.96 H new ATOM 0 HZ3 LYS A 39 52.805 9.872 -0.668 1.00 2.96 H new ATOM 601 N GLU A 40 58.420 5.951 -0.510 1.00 0.52 N ATOM 602 CA GLU A 40 57.894 4.578 -0.761 1.00 0.56 C ATOM 603 C GLU A 40 58.937 3.527 -0.370 1.00 0.52 C ATOM 604 O GLU A 40 58.612 2.387 -0.100 1.00 0.59 O ATOM 605 CB GLU A 40 57.615 4.527 -2.264 1.00 0.71 C ATOM 606 CG GLU A 40 58.926 4.669 -3.039 1.00 1.06 C ATOM 607 CD GLU A 40 58.832 3.881 -4.345 1.00 1.41 C ATOM 608 OE1 GLU A 40 58.336 4.433 -5.313 1.00 2.23 O ATOM 609 OE2 GLU A 40 59.258 2.737 -4.356 1.00 1.60 O ATOM 0 H GLU A 40 59.161 6.256 -1.142 1.00 0.52 H new ATOM 0 HA GLU A 40 57.000 4.367 -0.174 1.00 0.56 H new ATOM 0 HB2 GLU A 40 57.130 3.586 -2.521 1.00 0.71 H new ATOM 0 HB3 GLU A 40 56.928 5.326 -2.543 1.00 0.71 H new ATOM 0 HG2 GLU A 40 59.125 5.720 -3.249 1.00 1.06 H new ATOM 0 HG3 GLU A 40 59.758 4.301 -2.438 1.00 1.06 H new ATOM 616 N LEU A 41 60.189 3.897 -0.335 1.00 0.51 N ATOM 617 CA LEU A 41 61.245 2.916 0.042 1.00 0.54 C ATOM 618 C LEU A 41 60.886 2.243 1.369 1.00 0.56 C ATOM 619 O LEU A 41 61.268 1.120 1.631 1.00 0.70 O ATOM 620 CB LEU A 41 62.520 3.748 0.188 1.00 0.62 C ATOM 621 CG LEU A 41 63.608 2.905 0.855 1.00 0.64 C ATOM 622 CD1 LEU A 41 64.889 2.975 0.022 1.00 1.18 C ATOM 623 CD2 LEU A 41 63.883 3.451 2.258 1.00 1.40 C ATOM 0 H LEU A 41 60.525 4.835 -0.551 1.00 0.51 H new ATOM 0 HA LEU A 41 61.359 2.122 -0.696 1.00 0.54 H new ATOM 0 HB2 LEU A 41 62.858 4.089 -0.791 1.00 0.62 H new ATOM 0 HB3 LEU A 41 62.319 4.639 0.784 1.00 0.62 H new ATOM 0 HG LEU A 41 63.276 1.869 0.924 1.00 0.64 H new ATOM 0 HD11 LEU A 41 65.665 2.374 0.497 1.00 1.18 H new ATOM 0 HD12 LEU A 41 64.694 2.590 -0.979 1.00 1.18 H new ATOM 0 HD13 LEU A 41 65.223 4.010 -0.046 1.00 1.18 H new ATOM 0 HD21 LEU A 41 64.658 2.852 2.736 1.00 1.40 H new ATOM 0 HD22 LEU A 41 64.217 4.486 2.187 1.00 1.40 H new ATOM 0 HD23 LEU A 41 62.970 3.404 2.852 1.00 1.40 H new ATOM 635 N GLY A 42 60.149 2.921 2.205 1.00 0.57 N ATOM 636 CA GLY A 42 59.762 2.323 3.514 1.00 0.60 C ATOM 637 C GLY A 42 59.005 1.015 3.274 1.00 0.55 C ATOM 638 O GLY A 42 59.453 -0.049 3.650 1.00 0.57 O ATOM 0 H GLY A 42 59.798 3.864 2.038 1.00 0.57 H new ATOM 0 HA2 GLY A 42 60.650 2.136 4.117 1.00 0.60 H new ATOM 0 HA3 GLY A 42 59.138 3.019 4.074 1.00 0.60 H new ATOM 642 N LYS A 43 57.861 1.087 2.650 1.00 0.57 N ATOM 643 CA LYS A 43 57.077 -0.154 2.386 1.00 0.58 C ATOM 644 C LYS A 43 57.949 -1.184 1.662 1.00 0.56 C ATOM 645 O LYS A 43 57.669 -2.366 1.675 1.00 0.60 O ATOM 646 CB LYS A 43 55.916 0.291 1.495 1.00 0.65 C ATOM 647 CG LYS A 43 56.442 0.639 0.101 1.00 0.99 C ATOM 648 CD LYS A 43 56.012 2.060 -0.268 1.00 1.28 C ATOM 649 CE LYS A 43 54.598 2.030 -0.853 1.00 1.53 C ATOM 650 NZ LYS A 43 54.362 3.412 -1.354 1.00 1.86 N ATOM 0 H LYS A 43 57.435 1.950 2.312 1.00 0.57 H new ATOM 0 HA LYS A 43 56.726 -0.625 3.304 1.00 0.58 H new ATOM 0 HB2 LYS A 43 55.172 -0.503 1.426 1.00 0.65 H new ATOM 0 HB3 LYS A 43 55.419 1.156 1.933 1.00 0.65 H new ATOM 0 HG2 LYS A 43 57.529 0.560 0.081 1.00 0.99 H new ATOM 0 HG3 LYS A 43 56.057 -0.070 -0.632 1.00 0.99 H new ATOM 0 HD2 LYS A 43 56.039 2.700 0.614 1.00 1.28 H new ATOM 0 HD3 LYS A 43 56.707 2.485 -0.992 1.00 1.28 H new ATOM 0 HE2 LYS A 43 54.519 1.299 -1.658 1.00 1.53 H new ATOM 0 HE3 LYS A 43 53.863 1.753 -0.097 1.00 1.53 H new ATOM 0 HZ1 LYS A 43 53.373 3.505 -1.662 1.00 1.86 H new ATOM 0 HZ2 LYS A 43 54.553 4.095 -0.593 1.00 1.86 H new ATOM 0 HZ3 LYS A 43 54.994 3.603 -2.157 1.00 1.86 H new ATOM 664 N VAL A 44 59.003 -0.744 1.034 1.00 0.54 N ATOM 665 CA VAL A 44 59.893 -1.697 0.313 1.00 0.56 C ATOM 666 C VAL A 44 60.853 -2.368 1.303 1.00 0.59 C ATOM 667 O VAL A 44 61.314 -3.471 1.085 1.00 0.57 O ATOM 668 CB VAL A 44 60.655 -0.829 -0.697 1.00 0.59 C ATOM 669 CG1 VAL A 44 61.985 -1.490 -1.067 1.00 1.36 C ATOM 670 CG2 VAL A 44 59.807 -0.665 -1.960 1.00 1.36 C ATOM 0 H VAL A 44 59.287 0.235 0.989 1.00 0.54 H new ATOM 0 HA VAL A 44 59.344 -2.500 -0.179 1.00 0.56 H new ATOM 0 HB VAL A 44 60.854 0.145 -0.250 1.00 0.59 H new ATOM 0 HG11 VAL A 44 62.515 -0.864 -1.784 1.00 1.36 H new ATOM 0 HG12 VAL A 44 62.593 -1.610 -0.171 1.00 1.36 H new ATOM 0 HG13 VAL A 44 61.795 -2.468 -1.510 1.00 1.36 H new ATOM 0 HG21 VAL A 44 60.344 -0.049 -2.681 1.00 1.36 H new ATOM 0 HG22 VAL A 44 59.610 -1.645 -2.395 1.00 1.36 H new ATOM 0 HG23 VAL A 44 58.863 -0.185 -1.704 1.00 1.36 H new ATOM 680 N MET A 45 61.156 -1.710 2.389 1.00 0.74 N ATOM 681 CA MET A 45 62.083 -2.311 3.389 1.00 0.84 C ATOM 682 C MET A 45 61.327 -3.284 4.298 1.00 0.86 C ATOM 683 O MET A 45 61.804 -4.356 4.610 1.00 0.89 O ATOM 684 CB MET A 45 62.615 -1.125 4.195 1.00 0.96 C ATOM 685 CG MET A 45 63.600 -0.328 3.336 1.00 1.12 C ATOM 686 SD MET A 45 65.271 -0.515 4.004 1.00 1.48 S ATOM 687 CE MET A 45 65.289 0.996 4.998 1.00 0.73 C ATOM 0 H MET A 45 60.802 -0.783 2.626 1.00 0.74 H new ATOM 0 HA MET A 45 62.886 -2.879 2.919 1.00 0.84 H new ATOM 0 HB2 MET A 45 61.790 -0.486 4.510 1.00 0.96 H new ATOM 0 HB3 MET A 45 63.108 -1.478 5.101 1.00 0.96 H new ATOM 0 HG2 MET A 45 63.567 -0.680 2.305 1.00 1.12 H new ATOM 0 HG3 MET A 45 63.318 0.725 3.322 1.00 1.12 H new ATOM 0 HE1 MET A 45 65.843 0.819 5.920 1.00 0.73 H new ATOM 0 HE2 MET A 45 65.769 1.796 4.435 1.00 0.73 H new ATOM 0 HE3 MET A 45 64.266 1.285 5.240 1.00 0.73 H new ATOM 697 N ARG A 46 60.149 -2.918 4.726 1.00 0.94 N ATOM 698 CA ARG A 46 59.364 -3.822 5.614 1.00 1.04 C ATOM 699 C ARG A 46 59.137 -5.173 4.930 1.00 1.00 C ATOM 700 O ARG A 46 59.091 -6.204 5.570 1.00 1.04 O ATOM 701 CB ARG A 46 58.034 -3.103 5.837 1.00 1.21 C ATOM 702 CG ARG A 46 58.300 -1.661 6.273 1.00 1.04 C ATOM 703 CD ARG A 46 57.342 -1.285 7.406 1.00 1.77 C ATOM 704 NE ARG A 46 56.185 -0.636 6.731 1.00 2.29 N ATOM 705 CZ ARG A 46 55.483 0.264 7.364 1.00 2.76 C ATOM 706 NH1 ARG A 46 56.081 1.156 8.106 1.00 3.45 N ATOM 707 NH2 ARG A 46 54.182 0.271 7.256 1.00 3.10 N ATOM 0 H ARG A 46 59.697 -2.032 4.499 1.00 0.94 H new ATOM 0 HA ARG A 46 59.879 -4.026 6.553 1.00 1.04 H new ATOM 0 HB2 ARG A 46 57.444 -3.114 4.920 1.00 1.21 H new ATOM 0 HB3 ARG A 46 57.451 -3.622 6.597 1.00 1.21 H new ATOM 0 HG2 ARG A 46 59.333 -1.555 6.605 1.00 1.04 H new ATOM 0 HG3 ARG A 46 58.166 -0.984 5.429 1.00 1.04 H new ATOM 0 HD2 ARG A 46 57.029 -2.166 7.967 1.00 1.77 H new ATOM 0 HD3 ARG A 46 57.816 -0.607 8.116 1.00 1.77 H new ATOM 0 HE ARG A 46 55.941 -0.894 5.775 1.00 2.29 H new ATOM 0 HH11 ARG A 46 57.097 1.150 8.191 1.00 3.45 H new ATOM 0 HH12 ARG A 46 55.532 1.859 8.600 1.00 3.45 H new ATOM 0 HH21 ARG A 46 53.715 -0.427 6.677 1.00 3.10 H new ATOM 0 HH22 ARG A 46 53.633 0.974 7.751 1.00 3.10 H new ATOM 721 N MET A 47 58.993 -5.175 3.632 1.00 0.98 N ATOM 722 CA MET A 47 58.768 -6.460 2.911 1.00 1.04 C ATOM 723 C MET A 47 60.040 -7.312 2.943 1.00 0.99 C ATOM 724 O MET A 47 60.000 -8.515 2.773 1.00 1.07 O ATOM 725 CB MET A 47 58.428 -6.055 1.476 1.00 1.19 C ATOM 726 CG MET A 47 56.915 -5.874 1.342 1.00 1.37 C ATOM 727 SD MET A 47 56.563 -4.668 0.039 1.00 1.89 S ATOM 728 CE MET A 47 57.486 -5.488 -1.283 1.00 1.30 C ATOM 0 H MET A 47 59.021 -4.344 3.041 1.00 0.98 H new ATOM 0 HA MET A 47 57.975 -7.056 3.364 1.00 1.04 H new ATOM 0 HB2 MET A 47 58.940 -5.128 1.217 1.00 1.19 H new ATOM 0 HB3 MET A 47 58.777 -6.817 0.779 1.00 1.19 H new ATOM 0 HG2 MET A 47 56.444 -6.828 1.106 1.00 1.37 H new ATOM 0 HG3 MET A 47 56.493 -5.536 2.289 1.00 1.37 H new ATOM 0 HE1 MET A 47 57.062 -5.211 -2.248 1.00 1.30 H new ATOM 0 HE2 MET A 47 58.531 -5.179 -1.243 1.00 1.30 H new ATOM 0 HE3 MET A 47 57.422 -6.569 -1.155 1.00 1.30 H new ATOM 738 N LEU A 48 61.170 -6.697 3.163 1.00 0.93 N ATOM 739 CA LEU A 48 62.444 -7.470 3.210 1.00 0.98 C ATOM 740 C LEU A 48 62.667 -8.035 4.614 1.00 1.32 C ATOM 741 O LEU A 48 63.344 -9.028 4.795 1.00 1.80 O ATOM 742 CB LEU A 48 63.534 -6.457 2.859 1.00 1.21 C ATOM 743 CG LEU A 48 63.289 -5.910 1.452 1.00 1.28 C ATOM 744 CD1 LEU A 48 64.361 -4.873 1.112 1.00 2.11 C ATOM 745 CD2 LEU A 48 63.352 -7.058 0.442 1.00 1.86 C ATOM 0 H LEU A 48 61.266 -5.693 3.312 1.00 0.93 H new ATOM 0 HA LEU A 48 62.440 -8.317 2.524 1.00 0.98 H new ATOM 0 HB2 LEU A 48 63.534 -5.642 3.583 1.00 1.21 H new ATOM 0 HB3 LEU A 48 64.515 -6.930 2.911 1.00 1.21 H new ATOM 0 HG LEU A 48 62.306 -5.441 1.411 1.00 1.28 H new ATOM 0 HD11 LEU A 48 64.186 -4.484 0.109 1.00 2.11 H new ATOM 0 HD12 LEU A 48 64.317 -4.055 1.831 1.00 2.11 H new ATOM 0 HD13 LEU A 48 65.345 -5.340 1.153 1.00 2.11 H new ATOM 0 HD21 LEU A 48 63.178 -6.670 -0.561 1.00 1.86 H new ATOM 0 HD22 LEU A 48 64.335 -7.526 0.484 1.00 1.86 H new ATOM 0 HD23 LEU A 48 62.588 -7.797 0.683 1.00 1.86 H new ATOM 757 N GLY A 49 62.100 -7.411 5.611 1.00 1.36 N ATOM 758 CA GLY A 49 62.279 -7.914 7.004 1.00 1.95 C ATOM 759 C GLY A 49 62.491 -6.731 7.951 1.00 1.43 C ATOM 760 O GLY A 49 61.800 -6.585 8.940 1.00 1.92 O ATOM 0 H GLY A 49 61.521 -6.576 5.522 1.00 1.36 H new ATOM 0 HA2 GLY A 49 61.403 -8.486 7.311 1.00 1.95 H new ATOM 0 HA3 GLY A 49 63.134 -8.589 7.051 1.00 1.95 H new ATOM 764 N GLN A 50 63.442 -5.887 7.658 1.00 1.21 N ATOM 765 CA GLN A 50 63.697 -4.715 8.545 1.00 1.01 C ATOM 766 C GLN A 50 62.414 -3.901 8.730 1.00 1.02 C ATOM 767 O GLN A 50 61.579 -3.832 7.850 1.00 1.23 O ATOM 768 CB GLN A 50 64.756 -3.890 7.814 1.00 1.43 C ATOM 769 CG GLN A 50 66.003 -4.747 7.584 1.00 1.58 C ATOM 770 CD GLN A 50 66.394 -5.442 8.889 1.00 2.45 C ATOM 771 OE1 GLN A 50 67.008 -4.843 9.749 1.00 3.08 O ATOM 772 NE2 GLN A 50 66.062 -6.690 9.075 1.00 3.14 N ATOM 0 H GLN A 50 64.053 -5.957 6.844 1.00 1.21 H new ATOM 0 HA GLN A 50 64.028 -5.014 9.540 1.00 1.01 H new ATOM 0 HB2 GLN A 50 64.363 -3.538 6.860 1.00 1.43 H new ATOM 0 HB3 GLN A 50 65.012 -3.007 8.399 1.00 1.43 H new ATOM 0 HG2 GLN A 50 65.809 -5.488 6.809 1.00 1.58 H new ATOM 0 HG3 GLN A 50 66.825 -4.124 7.231 1.00 1.58 H new ATOM 0 HE21 GLN A 50 65.546 -7.194 8.353 1.00 3.14 H new ATOM 0 HE22 GLN A 50 66.318 -7.162 9.942 1.00 3.14 H new ATOM 781 N ASN A 51 62.252 -3.282 9.868 1.00 0.98 N ATOM 782 CA ASN A 51 61.022 -2.473 10.109 1.00 1.08 C ATOM 783 C ASN A 51 61.330 -1.315 11.065 1.00 0.93 C ATOM 784 O ASN A 51 60.723 -1.195 12.110 1.00 1.15 O ATOM 785 CB ASN A 51 60.027 -3.443 10.747 1.00 1.52 C ATOM 786 CG ASN A 51 59.043 -3.938 9.685 1.00 1.82 C ATOM 787 OD1 ASN A 51 59.442 -4.814 8.803 1.00 2.25 O flip ATOM 788 ND2 ASN A 51 57.902 -3.525 9.658 1.00 2.47 N flip ATOM 0 H ASN A 51 62.917 -3.301 10.641 1.00 0.98 H new ATOM 0 HA ASN A 51 60.631 -2.033 9.191 1.00 1.08 H new ATOM 0 HB2 ASN A 51 60.558 -4.287 11.188 1.00 1.52 H new ATOM 0 HB3 ASN A 51 59.488 -2.948 11.555 1.00 1.52 H new ATOM 0 HD21 ASN A 51 57.591 -2.841 10.347 1.00 2.47 H new ATOM 0 HD22 ASN A 51 57.254 -3.862 8.946 1.00 2.47 H new ATOM 795 N PRO A 52 62.269 -0.501 10.668 1.00 0.72 N ATOM 796 CA PRO A 52 62.670 0.663 11.496 1.00 0.80 C ATOM 797 C PRO A 52 61.593 1.751 11.448 1.00 0.80 C ATOM 798 O PRO A 52 60.749 1.764 10.574 1.00 0.80 O ATOM 799 CB PRO A 52 63.959 1.145 10.835 1.00 0.85 C ATOM 800 CG PRO A 52 63.868 0.673 9.418 1.00 0.79 C ATOM 801 CD PRO A 52 63.039 -0.586 9.422 1.00 0.71 C ATOM 0 HA PRO A 52 62.803 0.414 12.549 1.00 0.80 H new ATOM 0 HB2 PRO A 52 64.046 2.230 10.885 1.00 0.85 H new ATOM 0 HB3 PRO A 52 64.836 0.732 11.333 1.00 0.85 H new ATOM 0 HG2 PRO A 52 63.409 1.434 8.787 1.00 0.79 H new ATOM 0 HG3 PRO A 52 64.861 0.479 9.012 1.00 0.79 H new ATOM 0 HD2 PRO A 52 62.385 -0.636 8.551 1.00 0.71 H new ATOM 0 HD3 PRO A 52 63.667 -1.477 9.401 1.00 0.71 H new ATOM 809 N THR A 53 61.616 2.663 12.381 1.00 0.87 N ATOM 810 CA THR A 53 60.594 3.749 12.388 1.00 0.92 C ATOM 811 C THR A 53 60.742 4.623 11.140 1.00 0.82 C ATOM 812 O THR A 53 61.719 4.523 10.422 1.00 0.76 O ATOM 813 CB THR A 53 60.880 4.564 13.652 1.00 1.08 C ATOM 814 OG1 THR A 53 62.120 4.154 14.213 1.00 1.26 O ATOM 815 CG2 THR A 53 59.760 4.343 14.669 1.00 1.54 C ATOM 0 H THR A 53 62.298 2.704 13.139 1.00 0.87 H new ATOM 0 HA THR A 53 59.578 3.355 12.382 1.00 0.92 H new ATOM 0 HB THR A 53 60.932 5.622 13.395 1.00 1.08 H new ATOM 0 HG1 THR A 53 62.303 4.678 15.021 1.00 1.26 H new ATOM 0 HG21 THR A 53 59.965 4.924 15.568 1.00 1.54 H new ATOM 0 HG22 THR A 53 58.810 4.662 14.240 1.00 1.54 H new ATOM 0 HG23 THR A 53 59.705 3.285 14.925 1.00 1.54 H new ATOM 823 N PRO A 54 59.760 5.454 10.924 1.00 0.82 N ATOM 824 CA PRO A 54 59.769 6.361 9.750 1.00 0.75 C ATOM 825 C PRO A 54 60.792 7.484 9.948 1.00 0.73 C ATOM 826 O PRO A 54 61.343 8.008 9.000 1.00 0.69 O ATOM 827 CB PRO A 54 58.349 6.920 9.721 1.00 0.83 C ATOM 828 CG PRO A 54 57.859 6.808 11.129 1.00 0.94 C ATOM 829 CD PRO A 54 58.558 5.624 11.746 1.00 0.93 C ATOM 0 HA PRO A 54 60.045 5.859 8.823 1.00 0.75 H new ATOM 0 HB2 PRO A 54 58.340 7.956 9.381 1.00 0.83 H new ATOM 0 HB3 PRO A 54 57.716 6.354 9.037 1.00 0.83 H new ATOM 0 HG2 PRO A 54 58.077 7.719 11.687 1.00 0.94 H new ATOM 0 HG3 PRO A 54 56.778 6.672 11.151 1.00 0.94 H new ATOM 0 HD2 PRO A 54 58.811 5.809 12.790 1.00 0.93 H new ATOM 0 HD3 PRO A 54 57.930 4.733 11.724 1.00 0.93 H new ATOM 837 N GLU A 55 61.049 7.859 11.171 1.00 0.85 N ATOM 838 CA GLU A 55 62.034 8.949 11.427 1.00 0.87 C ATOM 839 C GLU A 55 63.463 8.422 11.266 1.00 0.84 C ATOM 840 O GLU A 55 64.358 9.138 10.862 1.00 0.82 O ATOM 841 CB GLU A 55 61.782 9.381 12.871 1.00 1.02 C ATOM 842 CG GLU A 55 61.922 10.900 12.982 1.00 1.48 C ATOM 843 CD GLU A 55 62.450 11.264 14.371 1.00 2.02 C ATOM 844 OE1 GLU A 55 61.702 11.120 15.323 1.00 2.53 O ATOM 845 OE2 GLU A 55 63.593 11.681 14.458 1.00 2.57 O ATOM 0 H GLU A 55 60.620 7.458 12.005 1.00 0.85 H new ATOM 0 HA GLU A 55 61.921 9.778 10.728 1.00 0.87 H new ATOM 0 HB2 GLU A 55 60.784 9.073 13.185 1.00 1.02 H new ATOM 0 HB3 GLU A 55 62.491 8.890 13.537 1.00 1.02 H new ATOM 0 HG2 GLU A 55 62.602 11.270 12.214 1.00 1.48 H new ATOM 0 HG3 GLU A 55 60.957 11.378 12.811 1.00 1.48 H new ATOM 852 N GLU A 56 63.684 7.176 11.583 1.00 0.88 N ATOM 853 CA GLU A 56 65.056 6.606 11.452 1.00 0.91 C ATOM 854 C GLU A 56 65.424 6.440 9.975 1.00 0.80 C ATOM 855 O GLU A 56 66.583 6.391 9.615 1.00 0.81 O ATOM 856 CB GLU A 56 64.988 5.244 12.142 1.00 1.00 C ATOM 857 CG GLU A 56 65.873 5.260 13.390 1.00 1.44 C ATOM 858 CD GLU A 56 65.519 6.475 14.250 1.00 1.39 C ATOM 859 OE1 GLU A 56 64.339 6.727 14.428 1.00 1.79 O ATOM 860 OE2 GLU A 56 66.435 7.132 14.716 1.00 2.00 O ATOM 0 H GLU A 56 62.975 6.528 11.927 1.00 0.88 H new ATOM 0 HA GLU A 56 65.813 7.252 11.897 1.00 0.91 H new ATOM 0 HB2 GLU A 56 63.958 5.014 12.416 1.00 1.00 H new ATOM 0 HB3 GLU A 56 65.318 4.461 11.459 1.00 1.00 H new ATOM 0 HG2 GLU A 56 65.731 4.343 13.961 1.00 1.44 H new ATOM 0 HG3 GLU A 56 66.924 5.298 13.103 1.00 1.44 H new ATOM 867 N LEU A 57 64.446 6.353 9.116 1.00 0.75 N ATOM 868 CA LEU A 57 64.742 6.190 7.664 1.00 0.70 C ATOM 869 C LEU A 57 65.068 7.547 7.034 1.00 0.67 C ATOM 870 O LEU A 57 66.040 7.691 6.319 1.00 0.71 O ATOM 871 CB LEU A 57 63.462 5.613 7.061 1.00 0.69 C ATOM 872 CG LEU A 57 63.180 4.241 7.674 1.00 1.00 C ATOM 873 CD1 LEU A 57 61.747 3.820 7.346 1.00 1.51 C ATOM 874 CD2 LEU A 57 64.157 3.215 7.098 1.00 1.41 C ATOM 0 H LEU A 57 63.455 6.388 9.356 1.00 0.75 H new ATOM 0 HA LEU A 57 65.602 5.544 7.489 1.00 0.70 H new ATOM 0 HB2 LEU A 57 62.625 6.285 7.248 1.00 0.69 H new ATOM 0 HB3 LEU A 57 63.565 5.525 5.979 1.00 0.69 H new ATOM 0 HG LEU A 57 63.304 4.294 8.756 1.00 1.00 H new ATOM 0 HD11 LEU A 57 61.546 2.842 7.783 1.00 1.51 H new ATOM 0 HD12 LEU A 57 61.050 4.551 7.756 1.00 1.51 H new ATOM 0 HD13 LEU A 57 61.622 3.767 6.265 1.00 1.51 H new ATOM 0 HD21 LEU A 57 63.957 2.237 7.535 1.00 1.41 H new ATOM 0 HD22 LEU A 57 64.033 3.162 6.016 1.00 1.41 H new ATOM 0 HD23 LEU A 57 65.179 3.514 7.332 1.00 1.41 H new ATOM 886 N GLN A 58 64.263 8.540 7.292 1.00 0.68 N ATOM 887 CA GLN A 58 64.528 9.885 6.706 1.00 0.72 C ATOM 888 C GLN A 58 65.728 10.538 7.399 1.00 0.71 C ATOM 889 O GLN A 58 66.180 11.596 7.009 1.00 0.79 O ATOM 890 CB GLN A 58 63.255 10.691 6.968 1.00 0.79 C ATOM 891 CG GLN A 58 63.495 12.157 6.602 1.00 1.09 C ATOM 892 CD GLN A 58 64.114 12.240 5.206 1.00 1.67 C ATOM 893 OE1 GLN A 58 65.200 12.761 5.040 1.00 2.37 O ATOM 894 NE2 GLN A 58 63.467 11.745 4.187 1.00 2.20 N ATOM 0 H GLN A 58 63.434 8.479 7.883 1.00 0.68 H new ATOM 0 HA GLN A 58 64.765 9.832 5.643 1.00 0.72 H new ATOM 0 HB2 GLN A 58 62.430 10.289 6.380 1.00 0.79 H new ATOM 0 HB3 GLN A 58 62.969 10.609 8.017 1.00 0.79 H new ATOM 0 HG2 GLN A 58 62.555 12.708 6.628 1.00 1.09 H new ATOM 0 HG3 GLN A 58 64.157 12.622 7.333 1.00 1.09 H new ATOM 0 HE21 GLN A 58 62.556 11.308 4.325 1.00 2.20 H new ATOM 0 HE22 GLN A 58 63.872 11.795 3.252 1.00 2.20 H new ATOM 903 N GLU A 59 66.247 9.916 8.422 1.00 0.70 N ATOM 904 CA GLU A 59 67.417 10.505 9.136 1.00 0.72 C ATOM 905 C GLU A 59 68.712 10.189 8.382 1.00 0.73 C ATOM 906 O GLU A 59 69.726 10.829 8.575 1.00 0.75 O ATOM 907 CB GLU A 59 67.414 9.844 10.517 1.00 0.75 C ATOM 908 CG GLU A 59 67.970 8.422 10.414 1.00 1.37 C ATOM 909 CD GLU A 59 69.421 8.404 10.902 1.00 1.66 C ATOM 910 OE1 GLU A 59 70.157 9.308 10.540 1.00 2.02 O ATOM 911 OE2 GLU A 59 69.770 7.488 11.627 1.00 2.42 O ATOM 0 H GLU A 59 65.913 9.027 8.794 1.00 0.70 H new ATOM 0 HA GLU A 59 67.355 11.591 9.208 1.00 0.72 H new ATOM 0 HB2 GLU A 59 68.016 10.430 11.212 1.00 0.75 H new ATOM 0 HB3 GLU A 59 66.400 9.820 10.916 1.00 0.75 H new ATOM 0 HG2 GLU A 59 67.366 7.740 11.012 1.00 1.37 H new ATOM 0 HG3 GLU A 59 67.918 8.074 9.382 1.00 1.37 H new ATOM 918 N MET A 60 68.684 9.207 7.523 1.00 0.79 N ATOM 919 CA MET A 60 69.913 8.854 6.755 1.00 0.84 C ATOM 920 C MET A 60 69.826 9.418 5.335 1.00 0.82 C ATOM 921 O MET A 60 70.783 9.949 4.808 1.00 0.96 O ATOM 922 CB MET A 60 69.936 7.325 6.724 1.00 0.93 C ATOM 923 CG MET A 60 69.735 6.781 8.140 1.00 1.27 C ATOM 924 SD MET A 60 70.482 5.138 8.268 1.00 1.65 S ATOM 925 CE MET A 60 68.961 4.225 8.628 1.00 0.97 C ATOM 0 H MET A 60 67.865 8.634 7.320 1.00 0.79 H new ATOM 0 HA MET A 60 70.816 9.265 7.207 1.00 0.84 H new ATOM 0 HB2 MET A 60 69.151 6.953 6.065 1.00 0.93 H new ATOM 0 HB3 MET A 60 70.885 6.973 6.320 1.00 0.93 H new ATOM 0 HG2 MET A 60 70.187 7.455 8.867 1.00 1.27 H new ATOM 0 HG3 MET A 60 68.671 6.728 8.373 1.00 1.27 H new ATOM 0 HE1 MET A 60 69.192 3.166 8.748 1.00 0.97 H new ATOM 0 HE2 MET A 60 68.517 4.606 9.548 1.00 0.97 H new ATOM 0 HE3 MET A 60 68.257 4.352 7.806 1.00 0.97 H new ATOM 935 N ILE A 61 68.684 9.311 4.713 1.00 0.76 N ATOM 936 CA ILE A 61 68.534 9.844 3.328 1.00 0.78 C ATOM 937 C ILE A 61 69.126 11.253 3.238 1.00 0.77 C ATOM 938 O ILE A 61 69.670 11.644 2.225 1.00 0.82 O ATOM 939 CB ILE A 61 67.026 9.880 3.079 1.00 0.81 C ATOM 940 CG1 ILE A 61 66.488 8.449 3.000 1.00 0.90 C ATOM 941 CG2 ILE A 61 66.743 10.603 1.761 1.00 0.89 C ATOM 942 CD1 ILE A 61 64.971 8.463 3.191 1.00 0.98 C ATOM 0 H ILE A 61 67.847 8.877 5.104 1.00 0.76 H new ATOM 0 HA ILE A 61 69.054 9.232 2.591 1.00 0.78 H new ATOM 0 HB ILE A 61 66.536 10.409 3.896 1.00 0.81 H new ATOM 0 HG12 ILE A 61 66.740 8.007 2.036 1.00 0.90 H new ATOM 0 HG13 ILE A 61 66.956 7.830 3.766 1.00 0.90 H new ATOM 0 HG21 ILE A 61 65.668 10.629 1.584 1.00 0.89 H new ATOM 0 HG22 ILE A 61 67.126 11.622 1.815 1.00 0.89 H new ATOM 0 HG23 ILE A 61 67.233 10.074 0.943 1.00 0.89 H new ATOM 0 HD11 ILE A 61 64.588 7.444 3.135 1.00 0.98 H new ATOM 0 HD12 ILE A 61 64.731 8.888 4.166 1.00 0.98 H new ATOM 0 HD13 ILE A 61 64.511 9.067 2.409 1.00 0.98 H new ATOM 954 N ASP A 62 69.023 12.019 4.289 1.00 0.82 N ATOM 955 CA ASP A 62 69.578 13.402 4.261 1.00 0.90 C ATOM 956 C ASP A 62 71.025 13.387 3.758 1.00 0.85 C ATOM 957 O ASP A 62 71.355 14.009 2.768 1.00 0.91 O ATOM 958 CB ASP A 62 69.519 13.883 5.711 1.00 1.03 C ATOM 959 CG ASP A 62 68.103 14.361 6.035 1.00 1.58 C ATOM 960 OD1 ASP A 62 67.370 14.652 5.105 1.00 2.06 O ATOM 961 OD2 ASP A 62 67.775 14.426 7.209 1.00 2.24 O ATOM 0 H ASP A 62 68.579 11.747 5.166 1.00 0.82 H new ATOM 0 HA ASP A 62 69.019 14.055 3.591 1.00 0.90 H new ATOM 0 HB2 ASP A 62 69.804 13.075 6.385 1.00 1.03 H new ATOM 0 HB3 ASP A 62 70.232 14.693 5.865 1.00 1.03 H new ATOM 966 N GLU A 63 71.892 12.682 4.434 1.00 0.84 N ATOM 967 CA GLU A 63 73.317 12.632 3.996 1.00 0.91 C ATOM 968 C GLU A 63 73.499 11.591 2.887 1.00 1.01 C ATOM 969 O GLU A 63 74.481 11.597 2.173 1.00 1.32 O ATOM 970 CB GLU A 63 74.100 12.223 5.243 1.00 0.99 C ATOM 971 CG GLU A 63 73.684 10.814 5.669 1.00 1.35 C ATOM 972 CD GLU A 63 73.415 10.793 7.175 1.00 1.55 C ATOM 973 OE1 GLU A 63 73.000 11.814 7.696 1.00 2.00 O ATOM 974 OE2 GLU A 63 73.630 9.756 7.780 1.00 2.14 O ATOM 0 H GLU A 63 71.675 12.139 5.270 1.00 0.84 H new ATOM 0 HA GLU A 63 73.656 13.587 3.593 1.00 0.91 H new ATOM 0 HB2 GLU A 63 75.170 12.251 5.039 1.00 0.99 H new ATOM 0 HB3 GLU A 63 73.911 12.929 6.052 1.00 0.99 H new ATOM 0 HG2 GLU A 63 72.790 10.507 5.125 1.00 1.35 H new ATOM 0 HG3 GLU A 63 74.469 10.101 5.419 1.00 1.35 H new ATOM 981 N VAL A 64 72.560 10.697 2.738 1.00 0.92 N ATOM 982 CA VAL A 64 72.683 9.657 1.677 1.00 1.07 C ATOM 983 C VAL A 64 72.145 10.189 0.345 1.00 1.13 C ATOM 984 O VAL A 64 72.656 9.875 -0.711 1.00 1.54 O ATOM 985 CB VAL A 64 71.836 8.486 2.175 1.00 1.23 C ATOM 986 CG1 VAL A 64 71.539 7.534 1.014 1.00 2.24 C ATOM 987 CG2 VAL A 64 72.601 7.734 3.265 1.00 1.42 C ATOM 0 H VAL A 64 71.714 10.642 3.304 1.00 0.92 H new ATOM 0 HA VAL A 64 73.718 9.365 1.501 1.00 1.07 H new ATOM 0 HB VAL A 64 70.898 8.865 2.580 1.00 1.23 H new ATOM 0 HG11 VAL A 64 70.935 6.700 1.372 1.00 2.24 H new ATOM 0 HG12 VAL A 64 70.994 8.068 0.236 1.00 2.24 H new ATOM 0 HG13 VAL A 64 72.476 7.154 0.606 1.00 2.24 H new ATOM 0 HG21 VAL A 64 71.999 6.898 3.622 1.00 1.42 H new ATOM 0 HG22 VAL A 64 73.539 7.357 2.857 1.00 1.42 H new ATOM 0 HG23 VAL A 64 72.811 8.410 4.094 1.00 1.42 H new ATOM 997 N ASP A 65 71.115 10.989 0.387 1.00 1.00 N ATOM 998 CA ASP A 65 70.544 11.535 -0.879 1.00 1.14 C ATOM 999 C ASP A 65 71.349 12.752 -1.348 1.00 1.45 C ATOM 1000 O ASP A 65 70.795 13.764 -1.728 1.00 1.74 O ATOM 1001 CB ASP A 65 69.111 11.939 -0.527 1.00 1.21 C ATOM 1002 CG ASP A 65 69.124 13.238 0.282 1.00 2.09 C ATOM 1003 OD1 ASP A 65 70.175 13.583 0.796 1.00 2.83 O ATOM 1004 OD2 ASP A 65 68.081 13.866 0.374 1.00 2.63 O ATOM 0 H ASP A 65 70.644 11.288 1.241 1.00 1.00 H new ATOM 0 HA ASP A 65 70.574 10.808 -1.690 1.00 1.14 H new ATOM 0 HB2 ASP A 65 68.527 12.072 -1.437 1.00 1.21 H new ATOM 0 HB3 ASP A 65 68.630 11.147 0.047 1.00 1.21 H new ATOM 1009 N GLU A 66 72.651 12.661 -1.328 1.00 1.86 N ATOM 1010 CA GLU A 66 73.484 13.813 -1.778 1.00 2.47 C ATOM 1011 C GLU A 66 73.372 13.978 -3.296 1.00 2.75 C ATOM 1012 O GLU A 66 73.799 14.966 -3.857 1.00 3.27 O ATOM 1013 CB GLU A 66 74.914 13.450 -1.380 1.00 3.01 C ATOM 1014 CG GLU A 66 75.537 14.607 -0.597 1.00 3.52 C ATOM 1015 CD GLU A 66 76.867 15.003 -1.240 1.00 4.01 C ATOM 1016 OE1 GLU A 66 77.353 14.244 -2.063 1.00 4.34 O ATOM 1017 OE2 GLU A 66 77.376 16.058 -0.900 1.00 4.48 O ATOM 0 H GLU A 66 73.173 11.841 -1.020 1.00 1.86 H new ATOM 0 HA GLU A 66 73.167 14.755 -1.330 1.00 2.47 H new ATOM 0 HB2 GLU A 66 74.915 12.545 -0.773 1.00 3.01 H new ATOM 0 HB3 GLU A 66 75.507 13.238 -2.269 1.00 3.01 H new ATOM 0 HG2 GLU A 66 74.858 15.460 -0.587 1.00 3.52 H new ATOM 0 HG3 GLU A 66 75.696 14.313 0.441 1.00 3.52 H new ATOM 1024 N ASP A 67 72.797 13.014 -3.961 1.00 2.74 N ATOM 1025 CA ASP A 67 72.652 13.109 -5.442 1.00 3.19 C ATOM 1026 C ASP A 67 71.224 12.746 -5.856 1.00 2.83 C ATOM 1027 O ASP A 67 70.649 13.352 -6.738 1.00 3.27 O ATOM 1028 CB ASP A 67 73.648 12.094 -6.003 1.00 4.15 C ATOM 1029 CG ASP A 67 74.928 12.814 -6.433 1.00 4.87 C ATOM 1030 OD1 ASP A 67 74.817 13.864 -7.043 1.00 5.31 O ATOM 1031 OD2 ASP A 67 75.996 12.303 -6.143 1.00 5.28 O ATOM 0 H ASP A 67 72.421 12.163 -3.543 1.00 2.74 H new ATOM 0 HA ASP A 67 72.844 14.116 -5.813 1.00 3.19 H new ATOM 0 HB2 ASP A 67 73.878 11.341 -5.250 1.00 4.15 H new ATOM 0 HB3 ASP A 67 73.210 11.571 -6.853 1.00 4.15 H new ATOM 1036 N GLY A 68 70.646 11.760 -5.225 1.00 2.35 N ATOM 1037 CA GLY A 68 69.256 11.357 -5.579 1.00 2.67 C ATOM 1038 C GLY A 68 68.308 12.539 -5.369 1.00 2.07 C ATOM 1039 O GLY A 68 67.301 12.665 -6.036 1.00 2.77 O ATOM 0 H GLY A 68 71.078 11.216 -4.478 1.00 2.35 H new ATOM 0 HA2 GLY A 68 69.216 11.026 -6.617 1.00 2.67 H new ATOM 0 HA3 GLY A 68 68.943 10.514 -4.963 1.00 2.67 H new ATOM 1043 N SER A 69 68.624 13.408 -4.447 1.00 1.42 N ATOM 1044 CA SER A 69 67.740 14.582 -4.195 1.00 1.79 C ATOM 1045 C SER A 69 66.317 14.120 -3.871 1.00 1.42 C ATOM 1046 O SER A 69 65.349 14.675 -4.351 1.00 1.97 O ATOM 1047 CB SER A 69 67.760 15.380 -5.499 1.00 2.79 C ATOM 1048 OG SER A 69 69.061 15.918 -5.700 1.00 3.72 O ATOM 0 H SER A 69 69.455 13.356 -3.858 1.00 1.42 H new ATOM 0 HA SER A 69 68.079 15.176 -3.346 1.00 1.79 H new ATOM 0 HB2 SER A 69 67.486 14.738 -6.336 1.00 2.79 H new ATOM 0 HB3 SER A 69 67.024 16.183 -5.459 1.00 2.79 H new ATOM 0 HG SER A 69 69.656 15.217 -6.040 1.00 3.72 H new ATOM 1054 N GLY A 70 66.183 13.106 -3.059 1.00 1.01 N ATOM 1055 CA GLY A 70 64.821 12.612 -2.705 1.00 1.07 C ATOM 1056 C GLY A 70 64.522 11.332 -3.486 1.00 0.84 C ATOM 1057 O GLY A 70 63.380 10.974 -3.695 1.00 0.87 O ATOM 0 H GLY A 70 66.956 12.600 -2.626 1.00 1.01 H new ATOM 0 HA2 GLY A 70 64.760 12.419 -1.634 1.00 1.07 H new ATOM 0 HA3 GLY A 70 64.076 13.373 -2.935 1.00 1.07 H new ATOM 1061 N THR A 71 65.539 10.640 -3.919 1.00 0.70 N ATOM 1062 CA THR A 71 65.312 9.382 -4.687 1.00 0.55 C ATOM 1063 C THR A 71 66.508 8.440 -4.523 1.00 0.54 C ATOM 1064 O THR A 71 67.647 8.837 -4.662 1.00 0.72 O ATOM 1065 CB THR A 71 65.173 9.827 -6.144 1.00 0.60 C ATOM 1066 OG1 THR A 71 66.322 10.576 -6.520 1.00 0.83 O ATOM 1067 CG2 THR A 71 63.923 10.694 -6.298 1.00 0.81 C ATOM 0 H THR A 71 66.517 10.890 -3.775 1.00 0.70 H new ATOM 0 HA THR A 71 64.432 8.839 -4.342 1.00 0.55 H new ATOM 0 HB THR A 71 65.084 8.950 -6.785 1.00 0.60 H new ATOM 0 HG1 THR A 71 66.208 11.510 -6.245 1.00 0.83 H new ATOM 0 HG21 THR A 71 63.825 11.010 -7.337 1.00 0.81 H new ATOM 0 HG22 THR A 71 63.043 10.119 -6.010 1.00 0.81 H new ATOM 0 HG23 THR A 71 64.008 11.572 -5.658 1.00 0.81 H new ATOM 1075 N VAL A 72 66.256 7.194 -4.228 1.00 0.52 N ATOM 1076 CA VAL A 72 67.383 6.227 -4.056 1.00 0.65 C ATOM 1077 C VAL A 72 67.493 5.301 -5.264 1.00 0.56 C ATOM 1078 O VAL A 72 66.513 4.963 -5.898 1.00 0.57 O ATOM 1079 CB VAL A 72 67.064 5.404 -2.801 1.00 0.92 C ATOM 1080 CG1 VAL A 72 67.561 6.150 -1.568 1.00 1.52 C ATOM 1081 CG2 VAL A 72 65.556 5.166 -2.679 1.00 1.23 C ATOM 0 H VAL A 72 65.323 6.803 -4.099 1.00 0.52 H new ATOM 0 HA VAL A 72 68.331 6.756 -3.961 1.00 0.65 H new ATOM 0 HB VAL A 72 67.564 4.439 -2.879 1.00 0.92 H new ATOM 0 HG11 VAL A 72 67.336 5.567 -0.675 1.00 1.52 H new ATOM 0 HG12 VAL A 72 68.638 6.298 -1.642 1.00 1.52 H new ATOM 0 HG13 VAL A 72 67.065 7.118 -1.504 1.00 1.52 H new ATOM 0 HG21 VAL A 72 65.351 4.581 -1.783 1.00 1.23 H new ATOM 0 HG22 VAL A 72 65.041 6.124 -2.612 1.00 1.23 H new ATOM 0 HG23 VAL A 72 65.201 4.624 -3.555 1.00 1.23 H new ATOM 1091 N ASP A 73 68.685 4.875 -5.571 1.00 0.64 N ATOM 1092 CA ASP A 73 68.878 3.951 -6.720 1.00 0.70 C ATOM 1093 C ASP A 73 69.239 2.564 -6.189 1.00 0.70 C ATOM 1094 O ASP A 73 69.229 2.329 -4.996 1.00 0.71 O ATOM 1095 CB ASP A 73 70.040 4.543 -7.520 1.00 0.85 C ATOM 1096 CG ASP A 73 69.789 6.032 -7.767 1.00 1.25 C ATOM 1097 OD1 ASP A 73 68.744 6.513 -7.359 1.00 1.72 O ATOM 1098 OD2 ASP A 73 70.646 6.667 -8.359 1.00 1.91 O ATOM 0 H ASP A 73 69.538 5.129 -5.073 1.00 0.64 H new ATOM 0 HA ASP A 73 67.985 3.847 -7.336 1.00 0.70 H new ATOM 0 HB2 ASP A 73 70.975 4.407 -6.977 1.00 0.85 H new ATOM 0 HB3 ASP A 73 70.144 4.019 -8.470 1.00 0.85 H new ATOM 1103 N PHE A 74 69.558 1.641 -7.048 1.00 0.81 N ATOM 1104 CA PHE A 74 69.916 0.280 -6.562 1.00 0.87 C ATOM 1105 C PHE A 74 71.210 0.341 -5.746 1.00 0.76 C ATOM 1106 O PHE A 74 71.529 -0.565 -5.000 1.00 0.74 O ATOM 1107 CB PHE A 74 70.111 -0.557 -7.827 1.00 1.04 C ATOM 1108 CG PHE A 74 70.074 -2.023 -7.471 1.00 1.34 C ATOM 1109 CD1 PHE A 74 68.937 -2.567 -6.860 1.00 2.11 C ATOM 1110 CD2 PHE A 74 71.176 -2.839 -7.754 1.00 2.16 C ATOM 1111 CE1 PHE A 74 68.904 -3.927 -6.531 1.00 3.02 C ATOM 1112 CE2 PHE A 74 71.141 -4.199 -7.425 1.00 3.14 C ATOM 1113 CZ PHE A 74 70.005 -4.744 -6.814 1.00 3.42 C ATOM 0 H PHE A 74 69.587 1.767 -8.060 1.00 0.81 H new ATOM 0 HA PHE A 74 69.150 -0.145 -5.913 1.00 0.87 H new ATOM 0 HB2 PHE A 74 69.330 -0.328 -8.551 1.00 1.04 H new ATOM 0 HB3 PHE A 74 71.063 -0.310 -8.296 1.00 1.04 H new ATOM 0 HD1 PHE A 74 68.087 -1.938 -6.643 1.00 2.11 H new ATOM 0 HD2 PHE A 74 72.052 -2.419 -8.226 1.00 2.16 H new ATOM 0 HE1 PHE A 74 68.028 -4.347 -6.058 1.00 3.02 H new ATOM 0 HE2 PHE A 74 71.991 -4.829 -7.643 1.00 3.14 H new ATOM 0 HZ PHE A 74 69.978 -5.794 -6.561 1.00 3.42 H new ATOM 1123 N ASP A 75 71.956 1.403 -5.880 1.00 0.79 N ATOM 1124 CA ASP A 75 73.227 1.525 -5.110 1.00 0.78 C ATOM 1125 C ASP A 75 72.963 2.149 -3.736 1.00 0.71 C ATOM 1126 O ASP A 75 73.623 1.835 -2.765 1.00 0.67 O ATOM 1127 CB ASP A 75 74.115 2.440 -5.955 1.00 0.96 C ATOM 1128 CG ASP A 75 73.371 3.743 -6.249 1.00 1.50 C ATOM 1129 OD1 ASP A 75 73.225 4.538 -5.335 1.00 2.18 O ATOM 1130 OD2 ASP A 75 72.961 3.925 -7.384 1.00 1.99 O ATOM 0 H ASP A 75 71.741 2.192 -6.489 1.00 0.79 H new ATOM 0 HA ASP A 75 73.693 0.556 -4.930 1.00 0.78 H new ATOM 0 HB2 ASP A 75 75.045 2.651 -5.427 1.00 0.96 H new ATOM 0 HB3 ASP A 75 74.384 1.944 -6.888 1.00 0.96 H new ATOM 1135 N GLU A 76 72.006 3.034 -3.644 1.00 0.74 N ATOM 1136 CA GLU A 76 71.709 3.677 -2.332 1.00 0.72 C ATOM 1137 C GLU A 76 70.815 2.770 -1.483 1.00 0.61 C ATOM 1138 O GLU A 76 71.121 2.472 -0.346 1.00 0.60 O ATOM 1139 CB GLU A 76 70.980 4.974 -2.685 1.00 0.82 C ATOM 1140 CG GLU A 76 71.891 5.853 -3.545 1.00 0.96 C ATOM 1141 CD GLU A 76 71.845 7.293 -3.034 1.00 1.36 C ATOM 1142 OE1 GLU A 76 70.993 8.037 -3.491 1.00 2.01 O ATOM 1143 OE2 GLU A 76 72.662 7.629 -2.193 1.00 2.14 O ATOM 0 H GLU A 76 71.418 3.339 -4.420 1.00 0.74 H new ATOM 0 HA GLU A 76 72.612 3.861 -1.749 1.00 0.72 H new ATOM 0 HB2 GLU A 76 70.059 4.751 -3.223 1.00 0.82 H new ATOM 0 HB3 GLU A 76 70.698 5.504 -1.775 1.00 0.82 H new ATOM 0 HG2 GLU A 76 72.914 5.477 -3.511 1.00 0.96 H new ATOM 0 HG3 GLU A 76 71.572 5.816 -4.587 1.00 0.96 H new ATOM 1150 N PHE A 77 69.711 2.327 -2.022 1.00 0.60 N ATOM 1151 CA PHE A 77 68.804 1.441 -1.236 1.00 0.54 C ATOM 1152 C PHE A 77 69.607 0.326 -0.561 1.00 0.48 C ATOM 1153 O PHE A 77 69.588 0.175 0.645 1.00 0.55 O ATOM 1154 CB PHE A 77 67.831 0.857 -2.260 1.00 0.61 C ATOM 1155 CG PHE A 77 66.884 -0.093 -1.570 1.00 0.67 C ATOM 1156 CD1 PHE A 77 66.546 0.105 -0.226 1.00 1.52 C ATOM 1157 CD2 PHE A 77 66.343 -1.176 -2.274 1.00 1.30 C ATOM 1158 CE1 PHE A 77 65.668 -0.778 0.414 1.00 1.78 C ATOM 1159 CE2 PHE A 77 65.465 -2.060 -1.634 1.00 1.38 C ATOM 1160 CZ PHE A 77 65.127 -1.860 -0.290 1.00 1.25 C ATOM 0 H PHE A 77 69.399 2.539 -2.969 1.00 0.60 H new ATOM 0 HA PHE A 77 68.285 1.982 -0.445 1.00 0.54 H new ATOM 0 HB2 PHE A 77 67.271 1.658 -2.743 1.00 0.61 H new ATOM 0 HB3 PHE A 77 68.381 0.335 -3.043 1.00 0.61 H new ATOM 0 HD1 PHE A 77 66.963 0.940 0.318 1.00 1.52 H new ATOM 0 HD2 PHE A 77 66.603 -1.330 -3.311 1.00 1.30 H new ATOM 0 HE1 PHE A 77 65.408 -0.624 1.451 1.00 1.78 H new ATOM 0 HE2 PHE A 77 65.049 -2.896 -2.177 1.00 1.38 H new ATOM 0 HZ PHE A 77 64.449 -2.541 0.203 1.00 1.25 H new ATOM 1170 N LEU A 78 70.312 -0.459 -1.330 1.00 0.46 N ATOM 1171 CA LEU A 78 71.115 -1.565 -0.732 1.00 0.49 C ATOM 1172 C LEU A 78 71.922 -1.048 0.463 1.00 0.48 C ATOM 1173 O LEU A 78 71.909 -1.626 1.531 1.00 0.54 O ATOM 1174 CB LEU A 78 72.047 -2.025 -1.852 1.00 0.56 C ATOM 1175 CG LEU A 78 71.509 -3.318 -2.466 1.00 0.78 C ATOM 1176 CD1 LEU A 78 70.912 -3.021 -3.842 1.00 1.70 C ATOM 1177 CD2 LEU A 78 72.651 -4.325 -2.614 1.00 0.70 C ATOM 0 H LEU A 78 70.367 -0.383 -2.346 1.00 0.46 H new ATOM 0 HA LEU A 78 70.490 -2.378 -0.362 1.00 0.49 H new ATOM 0 HB2 LEU A 78 72.124 -1.252 -2.616 1.00 0.56 H new ATOM 0 HB3 LEU A 78 73.051 -2.187 -1.460 1.00 0.56 H new ATOM 0 HG LEU A 78 70.738 -3.734 -1.818 1.00 0.78 H new ATOM 0 HD11 LEU A 78 70.529 -3.943 -4.279 1.00 1.70 H new ATOM 0 HD12 LEU A 78 70.098 -2.303 -3.738 1.00 1.70 H new ATOM 0 HD13 LEU A 78 71.683 -2.605 -4.491 1.00 1.70 H new ATOM 0 HD21 LEU A 78 72.269 -5.247 -3.052 1.00 0.70 H new ATOM 0 HD22 LEU A 78 73.422 -3.908 -3.262 1.00 0.70 H new ATOM 0 HD23 LEU A 78 73.077 -4.538 -1.634 1.00 0.70 H new ATOM 1189 N VAL A 79 72.628 0.036 0.288 1.00 0.46 N ATOM 1190 CA VAL A 79 73.437 0.590 1.412 1.00 0.51 C ATOM 1191 C VAL A 79 72.533 0.959 2.591 1.00 0.53 C ATOM 1192 O VAL A 79 72.772 0.568 3.716 1.00 0.64 O ATOM 1193 CB VAL A 79 74.104 1.839 0.837 1.00 0.54 C ATOM 1194 CG1 VAL A 79 74.862 2.572 1.945 1.00 0.67 C ATOM 1195 CG2 VAL A 79 75.085 1.431 -0.265 1.00 0.62 C ATOM 0 H VAL A 79 72.680 0.562 -0.584 1.00 0.46 H new ATOM 0 HA VAL A 79 74.165 -0.128 1.788 1.00 0.51 H new ATOM 0 HB VAL A 79 73.341 2.498 0.422 1.00 0.54 H new ATOM 0 HG11 VAL A 79 75.337 3.462 1.533 1.00 0.67 H new ATOM 0 HG12 VAL A 79 74.165 2.863 2.731 1.00 0.67 H new ATOM 0 HG13 VAL A 79 75.624 1.914 2.361 1.00 0.67 H new ATOM 0 HG21 VAL A 79 75.561 2.321 -0.676 1.00 0.62 H new ATOM 0 HG22 VAL A 79 75.846 0.771 0.152 1.00 0.62 H new ATOM 0 HG23 VAL A 79 74.547 0.909 -1.056 1.00 0.62 H new ATOM 1205 N MET A 80 71.496 1.712 2.343 1.00 0.52 N ATOM 1206 CA MET A 80 70.579 2.108 3.450 1.00 0.60 C ATOM 1207 C MET A 80 70.112 0.873 4.225 1.00 0.62 C ATOM 1208 O MET A 80 69.665 0.968 5.352 1.00 0.71 O ATOM 1209 CB MET A 80 69.396 2.787 2.759 1.00 0.66 C ATOM 1210 CG MET A 80 69.813 4.177 2.277 1.00 1.11 C ATOM 1211 SD MET A 80 68.803 4.649 0.851 1.00 1.23 S ATOM 1212 CE MET A 80 67.738 5.835 1.710 1.00 0.86 C ATOM 0 H MET A 80 71.244 2.070 1.422 1.00 0.52 H new ATOM 0 HA MET A 80 71.065 2.766 4.171 1.00 0.60 H new ATOM 0 HB2 MET A 80 69.060 2.184 1.915 1.00 0.66 H new ATOM 0 HB3 MET A 80 68.556 2.867 3.449 1.00 0.66 H new ATOM 0 HG2 MET A 80 69.690 4.904 3.080 1.00 1.11 H new ATOM 0 HG3 MET A 80 70.868 4.178 2.005 1.00 1.11 H new ATOM 0 HE1 MET A 80 66.758 5.857 1.233 1.00 0.86 H new ATOM 0 HE2 MET A 80 67.627 5.536 2.752 1.00 0.86 H new ATOM 0 HE3 MET A 80 68.186 6.827 1.663 1.00 0.86 H new ATOM 1222 N MET A 81 70.209 -0.285 3.631 1.00 0.61 N ATOM 1223 CA MET A 81 69.768 -1.524 4.336 1.00 0.72 C ATOM 1224 C MET A 81 70.835 -1.975 5.337 1.00 0.79 C ATOM 1225 O MET A 81 70.608 -2.003 6.531 1.00 0.91 O ATOM 1226 CB MET A 81 69.594 -2.568 3.233 1.00 0.75 C ATOM 1227 CG MET A 81 68.108 -2.884 3.057 1.00 1.01 C ATOM 1228 SD MET A 81 67.444 -3.540 4.609 1.00 1.71 S ATOM 1229 CE MET A 81 66.719 -5.052 3.926 1.00 1.66 C ATOM 0 H MET A 81 70.574 -0.428 2.689 1.00 0.61 H new ATOM 0 HA MET A 81 68.849 -1.370 4.901 1.00 0.72 H new ATOM 0 HB2 MET A 81 70.011 -2.196 2.297 1.00 0.75 H new ATOM 0 HB3 MET A 81 70.142 -3.475 3.487 1.00 0.75 H new ATOM 0 HG2 MET A 81 67.565 -1.984 2.768 1.00 1.01 H new ATOM 0 HG3 MET A 81 67.972 -3.609 2.255 1.00 1.01 H new ATOM 0 HE1 MET A 81 65.870 -5.357 4.538 1.00 1.66 H new ATOM 0 HE2 MET A 81 66.383 -4.866 2.906 1.00 1.66 H new ATOM 0 HE3 MET A 81 67.467 -5.845 3.923 1.00 1.66 H new ATOM 1239 N VAL A 82 71.997 -2.332 4.861 1.00 0.78 N ATOM 1240 CA VAL A 82 73.074 -2.784 5.787 1.00 0.90 C ATOM 1241 C VAL A 82 73.269 -1.763 6.912 1.00 0.94 C ATOM 1242 O VAL A 82 73.807 -2.071 7.957 1.00 1.13 O ATOM 1243 CB VAL A 82 74.330 -2.873 4.919 1.00 0.98 C ATOM 1244 CG1 VAL A 82 74.083 -3.844 3.762 1.00 1.83 C ATOM 1245 CG2 VAL A 82 74.661 -1.487 4.360 1.00 1.38 C ATOM 0 H VAL A 82 72.247 -2.330 3.872 1.00 0.78 H new ATOM 0 HA VAL A 82 72.838 -3.736 6.262 1.00 0.90 H new ATOM 0 HB VAL A 82 75.164 -3.231 5.522 1.00 0.98 H new ATOM 0 HG11 VAL A 82 74.978 -3.908 3.143 1.00 1.83 H new ATOM 0 HG12 VAL A 82 73.846 -4.831 4.160 1.00 1.83 H new ATOM 0 HG13 VAL A 82 73.249 -3.486 3.158 1.00 1.83 H new ATOM 0 HG21 VAL A 82 75.556 -1.549 3.741 1.00 1.38 H new ATOM 0 HG22 VAL A 82 73.827 -1.129 3.757 1.00 1.38 H new ATOM 0 HG23 VAL A 82 74.836 -0.795 5.184 1.00 1.38 H new ATOM 1255 N ARG A 83 72.838 -0.549 6.704 1.00 0.84 N ATOM 1256 CA ARG A 83 73.000 0.493 7.761 1.00 0.93 C ATOM 1257 C ARG A 83 72.185 0.124 9.003 1.00 0.93 C ATOM 1258 O ARG A 83 72.681 0.142 10.112 1.00 1.23 O ATOM 1259 CB ARG A 83 72.463 1.778 7.131 1.00 0.95 C ATOM 1260 CG ARG A 83 73.555 2.422 6.275 1.00 1.53 C ATOM 1261 CD ARG A 83 74.007 3.731 6.927 1.00 1.50 C ATOM 1262 NE ARG A 83 74.597 3.326 8.232 1.00 1.75 N ATOM 1263 CZ ARG A 83 75.064 4.233 9.047 1.00 2.02 C ATOM 1264 NH1 ARG A 83 74.247 4.922 9.794 1.00 2.44 N ATOM 1265 NH2 ARG A 83 76.349 4.450 9.112 1.00 2.58 N ATOM 0 H ARG A 83 72.381 -0.232 5.849 1.00 0.84 H new ATOM 0 HA ARG A 83 74.036 0.596 8.083 1.00 0.93 H new ATOM 0 HB2 ARG A 83 71.589 1.557 6.518 1.00 0.95 H new ATOM 0 HB3 ARG A 83 72.141 2.470 7.909 1.00 0.95 H new ATOM 0 HG2 ARG A 83 74.401 1.742 6.174 1.00 1.53 H new ATOM 0 HG3 ARG A 83 73.179 2.614 5.270 1.00 1.53 H new ATOM 0 HD2 ARG A 83 74.738 4.249 6.307 1.00 1.50 H new ATOM 0 HD3 ARG A 83 73.168 4.413 7.067 1.00 1.50 H new ATOM 0 HE ARG A 83 74.637 2.340 8.490 1.00 1.75 H new ATOM 0 HH11 ARG A 83 73.243 4.753 9.742 1.00 2.44 H new ATOM 0 HH12 ARG A 83 74.612 5.630 10.430 1.00 2.44 H new ATOM 0 HH21 ARG A 83 76.987 3.911 8.527 1.00 2.58 H new ATOM 0 HH22 ARG A 83 76.715 5.158 9.748 1.00 2.58 H new ATOM 1279 N CYS A 84 70.934 -0.206 8.828 1.00 0.81 N ATOM 1280 CA CYS A 84 70.088 -0.570 10.001 1.00 0.94 C ATOM 1281 C CYS A 84 70.651 -1.809 10.703 1.00 1.01 C ATOM 1282 O CYS A 84 70.541 -1.957 11.904 1.00 1.67 O ATOM 1283 CB CYS A 84 68.707 -0.869 9.416 1.00 1.20 C ATOM 1284 SG CYS A 84 67.452 -0.684 10.707 1.00 1.56 S ATOM 0 H CYS A 84 70.462 -0.239 7.925 1.00 0.81 H new ATOM 0 HA CYS A 84 70.055 0.226 10.745 1.00 0.94 H new ATOM 0 HB2 CYS A 84 68.496 -0.191 8.589 1.00 1.20 H new ATOM 0 HB3 CYS A 84 68.683 -1.881 9.013 1.00 1.20 H new ATOM 0 HG CYS A 84 66.278 -0.936 10.210 1.00 1.56 H new ATOM 1290 N MET A 85 71.255 -2.701 9.965 1.00 1.25 N ATOM 1291 CA MET A 85 71.821 -3.927 10.596 1.00 1.43 C ATOM 1292 C MET A 85 73.334 -3.777 10.786 1.00 1.78 C ATOM 1293 O MET A 85 73.923 -2.792 10.390 1.00 2.66 O ATOM 1294 CB MET A 85 71.512 -5.058 9.614 1.00 1.49 C ATOM 1295 CG MET A 85 72.258 -4.815 8.301 1.00 1.71 C ATOM 1296 SD MET A 85 72.702 -6.404 7.557 1.00 1.93 S ATOM 1297 CE MET A 85 71.819 -6.180 5.994 1.00 1.59 C ATOM 0 H MET A 85 71.381 -2.634 8.955 1.00 1.25 H new ATOM 0 HA MET A 85 71.396 -4.116 11.582 1.00 1.43 H new ATOM 0 HB2 MET A 85 71.809 -6.016 10.041 1.00 1.49 H new ATOM 0 HB3 MET A 85 70.439 -5.111 9.430 1.00 1.49 H new ATOM 0 HG2 MET A 85 71.633 -4.242 7.616 1.00 1.71 H new ATOM 0 HG3 MET A 85 73.155 -4.224 8.484 1.00 1.71 H new ATOM 0 HE1 MET A 85 71.137 -7.016 5.838 1.00 1.59 H new ATOM 0 HE2 MET A 85 71.252 -5.250 6.027 1.00 1.59 H new ATOM 0 HE3 MET A 85 72.536 -6.139 5.174 1.00 1.59 H new ATOM 1307 N LYS A 86 73.965 -4.748 11.388 1.00 1.64 N ATOM 1308 CA LYS A 86 75.439 -4.664 11.605 1.00 2.09 C ATOM 1309 C LYS A 86 75.767 -3.555 12.610 1.00 1.80 C ATOM 1310 O LYS A 86 75.305 -2.438 12.489 1.00 2.13 O ATOM 1311 CB LYS A 86 76.027 -4.333 10.232 1.00 2.91 C ATOM 1312 CG LYS A 86 77.002 -5.437 9.814 1.00 3.84 C ATOM 1313 CD LYS A 86 78.246 -5.384 10.704 1.00 4.67 C ATOM 1314 CE LYS A 86 79.129 -6.601 10.421 1.00 5.16 C ATOM 1315 NZ LYS A 86 78.834 -7.556 11.525 1.00 6.26 N ATOM 0 H LYS A 86 73.523 -5.598 11.740 1.00 1.64 H new ATOM 0 HA LYS A 86 75.847 -5.590 12.010 1.00 2.09 H new ATOM 0 HB2 LYS A 86 75.229 -4.240 9.496 1.00 2.91 H new ATOM 0 HB3 LYS A 86 76.542 -3.373 10.267 1.00 2.91 H new ATOM 0 HG2 LYS A 86 76.522 -6.412 9.899 1.00 3.84 H new ATOM 0 HG3 LYS A 86 77.284 -5.311 8.769 1.00 3.84 H new ATOM 0 HD2 LYS A 86 78.802 -4.466 10.515 1.00 4.67 H new ATOM 0 HD3 LYS A 86 77.954 -5.369 11.754 1.00 4.67 H new ATOM 0 HE2 LYS A 86 78.899 -7.038 9.449 1.00 5.16 H new ATOM 0 HE3 LYS A 86 80.184 -6.328 10.406 1.00 5.16 H new ATOM 0 HZ1 LYS A 86 79.403 -8.418 11.400 1.00 6.26 H new ATOM 0 HZ2 LYS A 86 79.069 -7.115 12.437 1.00 6.26 H new ATOM 0 HZ3 LYS A 86 77.824 -7.803 11.510 1.00 6.26 H new ATOM 1329 N ASP A 87 76.564 -3.855 13.599 1.00 2.28 N ATOM 1330 CA ASP A 87 76.924 -2.818 14.608 1.00 2.97 C ATOM 1331 C ASP A 87 75.679 -2.374 15.382 1.00 3.59 C ATOM 1332 O ASP A 87 74.712 -1.912 14.808 1.00 4.32 O ATOM 1333 CB ASP A 87 77.492 -1.656 13.794 1.00 3.76 C ATOM 1334 CG ASP A 87 78.784 -1.157 14.444 1.00 4.49 C ATOM 1335 OD1 ASP A 87 79.236 -1.792 15.381 1.00 5.14 O ATOM 1336 OD2 ASP A 87 79.298 -0.146 13.993 1.00 4.78 O ATOM 0 H ASP A 87 76.981 -4.773 13.752 1.00 2.28 H new ATOM 0 HA ASP A 87 77.637 -3.189 15.344 1.00 2.97 H new ATOM 0 HB2 ASP A 87 77.688 -1.977 12.771 1.00 3.76 H new ATOM 0 HB3 ASP A 87 76.764 -0.847 13.740 1.00 3.76 H new ATOM 1341 N ASP A 88 75.694 -2.510 16.680 1.00 3.80 N ATOM 1342 CA ASP A 88 74.512 -2.096 17.489 1.00 4.81 C ATOM 1343 C ASP A 88 74.789 -2.310 18.979 1.00 5.29 C ATOM 1344 O ASP A 88 75.781 -2.899 19.358 1.00 5.56 O ATOM 1345 CB ASP A 88 73.375 -3.004 17.020 1.00 5.52 C ATOM 1346 CG ASP A 88 72.121 -2.165 16.767 1.00 6.22 C ATOM 1347 OD1 ASP A 88 71.924 -1.198 17.482 1.00 6.70 O ATOM 1348 OD2 ASP A 88 71.377 -2.507 15.862 1.00 6.55 O ATOM 0 H ASP A 88 76.474 -2.890 17.216 1.00 3.80 H new ATOM 0 HA ASP A 88 74.272 -1.041 17.359 1.00 4.81 H new ATOM 0 HB2 ASP A 88 73.665 -3.527 16.109 1.00 5.52 H new ATOM 0 HB3 ASP A 88 73.170 -3.765 17.772 1.00 5.52 H new ATOM 1353 N SER A 89 73.919 -1.834 19.829 1.00 5.81 N ATOM 1354 CA SER A 89 74.133 -2.012 21.294 1.00 6.66 C ATOM 1355 C SER A 89 72.978 -2.809 21.905 1.00 7.11 C ATOM 1356 O SER A 89 72.294 -3.490 21.159 1.00 7.53 O ATOM 1357 CB SER A 89 74.169 -0.594 21.863 1.00 7.31 C ATOM 1358 OG SER A 89 72.838 -0.128 22.043 1.00 7.59 O ATOM 1359 OXT SER A 89 72.797 -2.724 23.109 1.00 7.31 O ATOM 0 H SER A 89 73.070 -1.330 19.572 1.00 5.81 H new ATOM 0 HA SER A 89 75.048 -2.563 21.515 1.00 6.66 H new ATOM 0 HB2 SER A 89 74.702 -0.584 22.814 1.00 7.31 H new ATOM 0 HB3 SER A 89 74.710 0.068 21.187 1.00 7.31 H new ATOM 0 HG SER A 89 72.856 0.781 22.409 1.00 7.59 H new TER 1365 SER A 89