USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 553 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 49 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 50 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 16 ASN : amide:sc= -2.98! C(o=-1.9!,f=-14!) USER MOD Set 2.2: A 18 THR OG1 : rot 92:sc= 1.07 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -118:sc= 0.118 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.319! USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 150:sc= -1.04 USER MOD Single : A 10 ASN : amide:sc= -3.46! C(o=-3.5!,f=-13!) USER MOD Single : A 14 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.276) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -97:sc= -0.0397 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -15.4! C(o=-15!,f=-19!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0.0295! C(o=0.029!,f=-7.6!) USER MOD Single : A 42 ASN : amide:sc= -8.43! C(o=-8.4!,f=-12!) USER MOD Single : A 48 ASN :FLIP amide:sc= -0.862 F(o=-3.9!,f=-0.86) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 99:sc= -0.511 USER MOD Single : A 61 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0891) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.988! USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.730 21.508 5.999 1.00 0.00 N ATOM 2 CA MET A 1 -2.331 20.594 7.055 1.00 0.00 C ATOM 3 C MET A 1 -1.566 19.397 6.486 1.00 0.00 C ATOM 4 O MET A 1 -1.267 19.358 5.293 1.00 0.00 O ATOM 5 CB MET A 1 -3.573 20.099 7.799 1.00 0.00 C ATOM 6 CG MET A 1 -3.900 21.007 8.986 1.00 0.00 C ATOM 7 SD MET A 1 -5.435 20.498 9.740 1.00 0.00 S ATOM 8 CE MET A 1 -5.474 21.604 11.141 1.00 0.00 C ATOM 0 H1 MET A 1 -2.279 22.433 6.151 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.434 21.125 5.078 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.764 21.621 6.010 1.00 0.00 H new ATOM 0 HA MET A 1 -1.674 21.128 7.741 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.422 20.068 7.116 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.409 19.080 8.150 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.094 20.966 9.719 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.975 22.042 8.653 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.376 21.420 11.725 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.596 21.433 11.764 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.474 22.636 10.790 1.00 0.00 H new ATOM 18 N SER A 2 -1.271 18.451 7.365 1.00 0.00 N ATOM 19 CA SER A 2 -0.546 17.257 6.964 1.00 0.00 C ATOM 20 C SER A 2 -1.149 16.026 7.645 1.00 0.00 C ATOM 21 O SER A 2 -1.628 16.110 8.775 1.00 0.00 O ATOM 22 CB SER A 2 0.941 17.376 7.302 1.00 0.00 C ATOM 23 OG SER A 2 1.742 17.543 6.136 1.00 0.00 O ATOM 0 H SER A 2 -1.521 18.487 8.353 1.00 0.00 H new ATOM 0 HA SER A 2 -0.637 17.148 5.883 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.094 18.223 7.971 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.263 16.484 7.838 1.00 0.00 H new ATOM 0 HG SER A 2 2.684 17.617 6.394 1.00 0.00 H new ATOM 29 N THR A 3 -1.104 14.913 6.930 1.00 0.00 N ATOM 30 CA THR A 3 -1.640 13.666 7.451 1.00 0.00 C ATOM 31 C THR A 3 -0.510 12.667 7.710 1.00 0.00 C ATOM 32 O THR A 3 0.663 13.037 7.704 1.00 0.00 O ATOM 33 CB THR A 3 -2.691 13.154 6.464 1.00 0.00 C ATOM 34 OG1 THR A 3 -3.202 11.976 7.082 1.00 0.00 O ATOM 35 CG2 THR A 3 -2.071 12.650 5.159 1.00 0.00 C ATOM 0 H THR A 3 -0.705 14.847 5.994 1.00 0.00 H new ATOM 0 HA THR A 3 -2.126 13.816 8.415 1.00 0.00 H new ATOM 0 HB THR A 3 -3.402 13.950 6.245 1.00 0.00 H new ATOM 0 HG1 THR A 3 -3.892 11.579 6.510 1.00 0.00 H new ATOM 0 HG21 THR A 3 -2.859 12.298 4.494 1.00 0.00 H new ATOM 0 HG22 THR A 3 -1.526 13.462 4.678 1.00 0.00 H new ATOM 0 HG23 THR A 3 -1.385 11.830 5.375 1.00 0.00 H new ATOM 43 N LYS A 4 -0.903 11.422 7.928 1.00 0.00 N ATOM 44 CA LYS A 4 0.062 10.367 8.188 1.00 0.00 C ATOM 45 C LYS A 4 -0.311 9.128 7.371 1.00 0.00 C ATOM 46 O LYS A 4 -1.402 8.581 7.528 1.00 0.00 O ATOM 47 CB LYS A 4 0.172 10.101 9.691 1.00 0.00 C ATOM 48 CG LYS A 4 1.585 10.400 10.197 1.00 0.00 C ATOM 49 CD LYS A 4 1.608 10.513 11.723 1.00 0.00 C ATOM 50 CE LYS A 4 3.020 10.815 12.229 1.00 0.00 C ATOM 51 NZ LYS A 4 3.003 11.971 13.152 1.00 0.00 N ATOM 0 H LYS A 4 -1.877 11.119 7.930 1.00 0.00 H new ATOM 0 HA LYS A 4 1.058 10.674 7.867 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -0.549 10.718 10.227 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -0.081 9.062 9.900 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.265 9.610 9.877 1.00 0.00 H new ATOM 0 HG3 LYS A 4 1.945 11.329 9.754 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.927 11.301 12.043 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.250 9.583 12.166 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.425 9.941 12.739 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.678 11.025 11.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 3.969 12.163 13.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.637 12.807 12.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.391 11.757 13.965 1.00 0.00 H new ATOM 65 N LEU A 5 0.615 8.723 6.516 1.00 0.00 N ATOM 66 CA LEU A 5 0.398 7.558 5.672 1.00 0.00 C ATOM 67 C LEU A 5 1.677 6.720 5.630 1.00 0.00 C ATOM 68 O LEU A 5 2.738 7.177 6.050 1.00 0.00 O ATOM 69 CB LEU A 5 -0.106 7.983 4.293 1.00 0.00 C ATOM 70 CG LEU A 5 0.437 9.310 3.758 1.00 0.00 C ATOM 71 CD1 LEU A 5 -0.138 10.492 4.542 1.00 0.00 C ATOM 72 CD2 LEU A 5 1.968 9.314 3.755 1.00 0.00 C ATOM 0 H LEU A 5 1.518 9.180 6.388 1.00 0.00 H new ATOM 0 HA LEU A 5 -0.385 6.924 6.089 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.143 7.198 3.579 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -1.193 8.047 4.330 1.00 0.00 H new ATOM 0 HG LEU A 5 0.113 9.421 2.723 1.00 0.00 H new ATOM 0 HD11 LEU A 5 0.263 11.423 4.142 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -1.224 10.496 4.450 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.137 10.400 5.593 1.00 0.00 H new ATOM 0 HD21 LEU A 5 2.329 10.268 3.370 1.00 0.00 H new ATOM 0 HD22 LEU A 5 2.334 9.171 4.772 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.333 8.506 3.121 1.00 0.00 H new ATOM 84 N TYR A 6 1.533 5.506 5.118 1.00 0.00 N ATOM 85 CA TYR A 6 2.664 4.599 5.014 1.00 0.00 C ATOM 86 C TYR A 6 2.498 3.651 3.825 1.00 0.00 C ATOM 87 O TYR A 6 1.774 2.661 3.912 1.00 0.00 O ATOM 88 CB TYR A 6 2.668 3.780 6.307 1.00 0.00 C ATOM 89 CG TYR A 6 3.873 2.849 6.450 1.00 0.00 C ATOM 90 CD1 TYR A 6 5.149 3.339 6.263 1.00 0.00 C ATOM 91 CD2 TYR A 6 3.684 1.519 6.768 1.00 0.00 C ATOM 92 CE1 TYR A 6 6.284 2.462 6.398 1.00 0.00 C ATOM 93 CE2 TYR A 6 4.819 0.642 6.903 1.00 0.00 C ATOM 94 CZ TYR A 6 6.063 1.158 6.711 1.00 0.00 C ATOM 95 OH TYR A 6 7.134 0.330 6.838 1.00 0.00 O ATOM 0 H TYR A 6 0.651 5.130 4.771 1.00 0.00 H new ATOM 0 HA TYR A 6 3.590 5.155 4.868 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.646 4.462 7.157 1.00 0.00 H new ATOM 0 HB3 TYR A 6 1.755 3.186 6.351 1.00 0.00 H new ATOM 0 HD1 TYR A 6 5.297 4.380 6.015 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.685 1.136 6.916 1.00 0.00 H new ATOM 0 HE1 TYR A 6 7.288 2.833 6.254 1.00 0.00 H new ATOM 0 HE2 TYR A 6 4.685 -0.401 7.151 1.00 0.00 H new ATOM 0 HH TYR A 6 6.928 -0.374 7.488 1.00 0.00 H new ATOM 105 N GLY A 7 3.183 3.987 2.742 1.00 0.00 N ATOM 106 CA GLY A 7 3.122 3.178 1.536 1.00 0.00 C ATOM 107 C GLY A 7 2.107 3.749 0.544 1.00 0.00 C ATOM 108 O GLY A 7 1.282 3.015 0.003 1.00 0.00 O ATOM 0 H GLY A 7 3.783 4.809 2.674 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.107 3.137 1.071 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.848 2.155 1.794 1.00 0.00 H new ATOM 112 N ASP A 8 2.202 5.055 0.335 1.00 0.00 N ATOM 113 CA ASP A 8 1.302 5.732 -0.583 1.00 0.00 C ATOM 114 C ASP A 8 1.809 5.549 -2.015 1.00 0.00 C ATOM 115 O ASP A 8 2.960 5.861 -2.315 1.00 0.00 O ATOM 116 CB ASP A 8 1.245 7.232 -0.291 1.00 0.00 C ATOM 117 CG ASP A 8 -0.156 7.846 -0.329 1.00 0.00 C ATOM 118 OD1 ASP A 8 -1.026 7.233 -0.984 1.00 0.00 O ATOM 119 OD2 ASP A 8 -0.325 8.915 0.296 1.00 0.00 O ATOM 0 H ASP A 8 2.888 5.661 0.785 1.00 0.00 H new ATOM 0 HA ASP A 8 0.308 5.302 -0.460 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.677 7.412 0.693 1.00 0.00 H new ATOM 0 HB3 ASP A 8 1.873 7.752 -1.015 1.00 0.00 H new ATOM 124 N VAL A 9 0.923 5.043 -2.862 1.00 0.00 N ATOM 125 CA VAL A 9 1.267 4.814 -4.255 1.00 0.00 C ATOM 126 C VAL A 9 1.235 6.145 -5.008 1.00 0.00 C ATOM 127 O VAL A 9 2.246 6.573 -5.562 1.00 0.00 O ATOM 128 CB VAL A 9 0.331 3.764 -4.858 1.00 0.00 C ATOM 129 CG1 VAL A 9 0.474 3.712 -6.380 1.00 0.00 C ATOM 130 CG2 VAL A 9 0.580 2.387 -4.237 1.00 0.00 C ATOM 0 H VAL A 9 -0.031 4.786 -2.610 1.00 0.00 H new ATOM 0 HA VAL A 9 2.278 4.416 -4.339 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.693 4.056 -4.627 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.202 2.958 -6.783 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.225 4.686 -6.802 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.501 3.455 -6.640 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.098 1.659 -4.683 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.611 2.085 -4.423 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.405 2.435 -3.162 1.00 0.00 H new ATOM 140 N ASN A 10 0.063 6.763 -5.005 1.00 0.00 N ATOM 141 CA ASN A 10 -0.113 8.037 -5.681 1.00 0.00 C ATOM 142 C ASN A 10 -0.161 9.159 -4.642 1.00 0.00 C ATOM 143 O ASN A 10 -0.815 10.179 -4.854 1.00 0.00 O ATOM 144 CB ASN A 10 -1.425 8.066 -6.469 1.00 0.00 C ATOM 145 CG ASN A 10 -2.552 7.398 -5.679 1.00 0.00 C ATOM 146 OD1 ASN A 10 -2.490 7.238 -4.471 1.00 0.00 O ATOM 147 ND2 ASN A 10 -3.585 7.020 -6.427 1.00 0.00 N ATOM 0 H ASN A 10 -0.774 6.405 -4.545 1.00 0.00 H new ATOM 0 HA ASN A 10 0.723 8.173 -6.367 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -1.696 9.098 -6.694 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -1.292 7.556 -7.423 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -4.389 6.566 -5.994 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -3.573 7.184 -7.434 1.00 0.00 H new ATOM 154 N ASP A 11 0.541 8.933 -3.541 1.00 0.00 N ATOM 155 CA ASP A 11 0.586 9.911 -2.468 1.00 0.00 C ATOM 156 C ASP A 11 -0.836 10.375 -2.145 1.00 0.00 C ATOM 157 O ASP A 11 -1.074 11.564 -1.940 1.00 0.00 O ATOM 158 CB ASP A 11 1.401 11.140 -2.878 1.00 0.00 C ATOM 159 CG ASP A 11 1.534 12.218 -1.800 1.00 0.00 C ATOM 160 OD1 ASP A 11 2.042 11.871 -0.712 1.00 0.00 O ATOM 161 OD2 ASP A 11 1.124 13.363 -2.089 1.00 0.00 O ATOM 0 H ASP A 11 1.083 8.086 -3.369 1.00 0.00 H new ATOM 0 HA ASP A 11 1.052 9.440 -1.602 1.00 0.00 H new ATOM 0 HB2 ASP A 11 2.399 10.814 -3.170 1.00 0.00 H new ATOM 0 HB3 ASP A 11 0.940 11.585 -3.760 1.00 0.00 H new ATOM 166 N ASP A 12 -1.744 9.411 -2.109 1.00 0.00 N ATOM 167 CA ASP A 12 -3.136 9.703 -1.814 1.00 0.00 C ATOM 168 C ASP A 12 -3.411 9.416 -0.337 1.00 0.00 C ATOM 169 O ASP A 12 -3.897 10.284 0.388 1.00 0.00 O ATOM 170 CB ASP A 12 -4.072 8.827 -2.648 1.00 0.00 C ATOM 171 CG ASP A 12 -5.522 8.785 -2.161 1.00 0.00 C ATOM 172 OD1 ASP A 12 -6.249 9.758 -2.459 1.00 0.00 O ATOM 173 OD2 ASP A 12 -5.872 7.781 -1.505 1.00 0.00 O ATOM 0 H ASP A 12 -1.542 8.426 -2.280 1.00 0.00 H new ATOM 0 HA ASP A 12 -3.318 10.751 -2.051 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.060 9.186 -3.677 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.679 7.810 -2.660 1.00 0.00 H new ATOM 178 N GLY A 13 -3.089 8.196 0.067 1.00 0.00 N ATOM 179 CA GLY A 13 -3.295 7.783 1.444 1.00 0.00 C ATOM 180 C GLY A 13 -2.434 6.567 1.787 1.00 0.00 C ATOM 181 O GLY A 13 -1.802 6.526 2.841 1.00 0.00 O ATOM 0 H GLY A 13 -2.686 7.479 -0.537 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.051 8.607 2.115 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -4.347 7.544 1.602 1.00 0.00 H new ATOM 185 N LYS A 14 -2.437 5.604 0.876 1.00 0.00 N ATOM 186 CA LYS A 14 -1.665 4.389 1.069 1.00 0.00 C ATOM 187 C LYS A 14 -1.728 3.542 -0.204 1.00 0.00 C ATOM 188 O LYS A 14 -2.223 3.998 -1.233 1.00 0.00 O ATOM 189 CB LYS A 14 -2.132 3.649 2.324 1.00 0.00 C ATOM 190 CG LYS A 14 -3.652 3.738 2.477 1.00 0.00 C ATOM 191 CD LYS A 14 -4.031 4.541 3.723 1.00 0.00 C ATOM 192 CE LYS A 14 -5.221 5.461 3.440 1.00 0.00 C ATOM 193 NZ LYS A 14 -6.390 5.064 4.256 1.00 0.00 N ATOM 0 H LYS A 14 -2.962 5.641 0.002 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.616 4.629 1.242 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.829 2.604 2.268 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.648 4.075 3.203 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.083 4.207 1.593 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.074 2.735 2.544 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.278 3.860 4.538 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.178 5.134 4.051 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -4.950 6.494 3.661 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -5.478 5.418 2.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -7.086 5.836 4.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -6.824 4.211 3.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.083 4.865 5.229 1.00 0.00 H new ATOM 207 N VAL A 15 -1.221 2.323 -0.091 1.00 0.00 N ATOM 208 CA VAL A 15 -1.214 1.407 -1.219 1.00 0.00 C ATOM 209 C VAL A 15 -2.241 0.300 -0.978 1.00 0.00 C ATOM 210 O VAL A 15 -2.001 -0.613 -0.190 1.00 0.00 O ATOM 211 CB VAL A 15 0.201 0.872 -1.450 1.00 0.00 C ATOM 212 CG1 VAL A 15 0.760 0.235 -0.176 1.00 0.00 C ATOM 213 CG2 VAL A 15 0.228 -0.119 -2.615 1.00 0.00 C ATOM 0 H VAL A 15 -0.812 1.948 0.765 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.504 1.925 -2.133 1.00 0.00 H new ATOM 0 HB VAL A 15 0.840 1.715 -1.712 1.00 0.00 H new ATOM 0 HG11 VAL A 15 1.767 -0.137 -0.367 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.793 0.980 0.619 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.119 -0.592 0.129 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.245 -0.484 -2.758 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.431 -0.958 -2.394 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.110 0.379 -3.524 1.00 0.00 H new ATOM 223 N ASN A 16 -3.363 0.417 -1.672 1.00 0.00 N ATOM 224 CA ASN A 16 -4.428 -0.563 -1.544 1.00 0.00 C ATOM 225 C ASN A 16 -5.255 -0.583 -2.831 1.00 0.00 C ATOM 226 O ASN A 16 -4.881 0.040 -3.823 1.00 0.00 O ATOM 227 CB ASN A 16 -5.364 -0.211 -0.386 1.00 0.00 C ATOM 228 CG ASN A 16 -6.027 1.150 -0.612 1.00 0.00 C ATOM 229 OD1 ASN A 16 -7.146 1.254 -1.087 1.00 0.00 O ATOM 230 ND2 ASN A 16 -5.276 2.185 -0.246 1.00 0.00 N ATOM 0 H ASN A 16 -3.558 1.176 -2.325 1.00 0.00 H new ATOM 0 HA ASN A 16 -3.971 -1.535 -1.356 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.130 -0.980 -0.286 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -4.803 -0.196 0.548 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -5.629 3.136 -0.357 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -4.347 2.028 0.145 1.00 0.00 H new ATOM 237 N SER A 17 -6.364 -1.306 -2.772 1.00 0.00 N ATOM 238 CA SER A 17 -7.247 -1.417 -3.922 1.00 0.00 C ATOM 239 C SER A 17 -7.534 -0.028 -4.496 1.00 0.00 C ATOM 240 O SER A 17 -7.883 0.104 -5.668 1.00 0.00 O ATOM 241 CB SER A 17 -8.555 -2.117 -3.547 1.00 0.00 C ATOM 242 OG SER A 17 -9.536 -1.999 -4.573 1.00 0.00 O ATOM 0 H SER A 17 -6.671 -1.820 -1.947 1.00 0.00 H new ATOM 0 HA SER A 17 -6.748 -2.021 -4.680 1.00 0.00 H new ATOM 0 HB2 SER A 17 -8.359 -3.171 -3.352 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.943 -1.689 -2.623 1.00 0.00 H new ATOM 0 HG SER A 17 -10.356 -2.460 -4.297 1.00 0.00 H new ATOM 248 N THR A 18 -7.378 0.974 -3.643 1.00 0.00 N ATOM 249 CA THR A 18 -7.616 2.348 -4.050 1.00 0.00 C ATOM 250 C THR A 18 -6.563 2.793 -5.067 1.00 0.00 C ATOM 251 O THR A 18 -6.870 3.536 -5.999 1.00 0.00 O ATOM 252 CB THR A 18 -7.649 3.216 -2.791 1.00 0.00 C ATOM 253 OG1 THR A 18 -8.814 2.779 -2.097 1.00 0.00 O ATOM 254 CG2 THR A 18 -7.930 4.688 -3.100 1.00 0.00 C ATOM 0 H THR A 18 -7.089 0.861 -2.671 1.00 0.00 H new ATOM 0 HA THR A 18 -8.576 2.449 -4.557 1.00 0.00 H new ATOM 0 HB THR A 18 -6.696 3.131 -2.268 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.573 2.065 -1.471 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.942 5.259 -2.171 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.151 5.078 -3.755 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.897 4.778 -3.594 1.00 0.00 H new ATOM 262 N ASP A 19 -5.344 2.321 -4.854 1.00 0.00 N ATOM 263 CA ASP A 19 -4.244 2.660 -5.741 1.00 0.00 C ATOM 264 C ASP A 19 -3.821 1.415 -6.522 1.00 0.00 C ATOM 265 O ASP A 19 -2.694 1.337 -7.010 1.00 0.00 O ATOM 266 CB ASP A 19 -3.033 3.158 -4.951 1.00 0.00 C ATOM 267 CG ASP A 19 -3.186 4.553 -4.341 1.00 0.00 C ATOM 268 OD1 ASP A 19 -4.138 5.250 -4.753 1.00 0.00 O ATOM 269 OD2 ASP A 19 -2.348 4.890 -3.478 1.00 0.00 O ATOM 0 H ASP A 19 -5.093 1.706 -4.080 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.584 3.448 -6.414 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.824 2.449 -4.150 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.164 3.159 -5.610 1.00 0.00 H new ATOM 274 N ALA A 20 -4.745 0.471 -6.615 1.00 0.00 N ATOM 275 CA ALA A 20 -4.481 -0.767 -7.327 1.00 0.00 C ATOM 276 C ALA A 20 -4.142 -0.450 -8.785 1.00 0.00 C ATOM 277 O ALA A 20 -3.495 -1.246 -9.463 1.00 0.00 O ATOM 278 CB ALA A 20 -5.690 -1.698 -7.200 1.00 0.00 C ATOM 0 H ALA A 20 -5.678 0.539 -6.209 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.624 -1.283 -6.893 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.492 -2.627 -7.734 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.872 -1.916 -6.148 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.568 -1.214 -7.627 1.00 0.00 H new ATOM 284 N VAL A 21 -4.594 0.716 -9.223 1.00 0.00 N ATOM 285 CA VAL A 21 -4.346 1.149 -10.588 1.00 0.00 C ATOM 286 C VAL A 21 -2.838 1.175 -10.845 1.00 0.00 C ATOM 287 O VAL A 21 -2.343 0.482 -11.731 1.00 0.00 O ATOM 288 CB VAL A 21 -5.018 2.501 -10.839 1.00 0.00 C ATOM 289 CG1 VAL A 21 -4.305 3.269 -11.953 1.00 0.00 C ATOM 290 CG2 VAL A 21 -6.504 2.323 -11.159 1.00 0.00 C ATOM 0 H VAL A 21 -5.130 1.374 -8.657 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.785 0.446 -11.296 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.940 3.089 -9.925 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.802 4.226 -12.111 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.267 3.442 -11.669 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.337 2.687 -12.874 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.958 3.298 -11.333 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.613 1.707 -12.052 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -7.001 1.836 -10.320 1.00 0.00 H new ATOM 300 N ALA A 22 -2.149 1.983 -10.052 1.00 0.00 N ATOM 301 CA ALA A 22 -0.707 2.108 -10.181 1.00 0.00 C ATOM 302 C ALA A 22 -0.046 0.793 -9.765 1.00 0.00 C ATOM 303 O ALA A 22 1.077 0.502 -10.177 1.00 0.00 O ATOM 304 CB ALA A 22 -0.220 3.295 -9.347 1.00 0.00 C ATOM 0 H ALA A 22 -2.563 2.558 -9.318 1.00 0.00 H new ATOM 0 HA ALA A 22 -0.430 2.303 -11.217 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.862 3.388 -9.444 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.696 4.209 -9.702 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.478 3.134 -8.300 1.00 0.00 H new ATOM 310 N LEU A 23 -0.769 0.034 -8.957 1.00 0.00 N ATOM 311 CA LEU A 23 -0.266 -1.244 -8.481 1.00 0.00 C ATOM 312 C LEU A 23 -0.149 -2.212 -9.660 1.00 0.00 C ATOM 313 O LEU A 23 0.917 -2.778 -9.898 1.00 0.00 O ATOM 314 CB LEU A 23 -1.137 -1.770 -7.338 1.00 0.00 C ATOM 315 CG LEU A 23 -0.405 -2.537 -6.235 1.00 0.00 C ATOM 316 CD1 LEU A 23 0.100 -1.584 -5.149 1.00 0.00 C ATOM 317 CD2 LEU A 23 -1.287 -3.647 -5.660 1.00 0.00 C ATOM 0 H LEU A 23 -1.700 0.279 -8.619 1.00 0.00 H new ATOM 0 HA LEU A 23 0.734 -1.128 -8.062 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.654 -0.925 -6.884 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.901 -2.422 -7.761 1.00 0.00 H new ATOM 0 HG LEU A 23 0.469 -3.017 -6.674 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.617 -2.154 -4.377 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.788 -0.863 -5.589 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.745 -1.056 -4.707 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.742 -4.176 -4.878 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.193 -3.211 -5.239 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.555 -4.346 -6.452 1.00 0.00 H new ATOM 329 N LYS A 24 -1.258 -2.371 -10.367 1.00 0.00 N ATOM 330 CA LYS A 24 -1.292 -3.260 -11.516 1.00 0.00 C ATOM 331 C LYS A 24 -0.124 -2.929 -12.446 1.00 0.00 C ATOM 332 O LYS A 24 0.542 -3.829 -12.957 1.00 0.00 O ATOM 333 CB LYS A 24 -2.660 -3.199 -12.200 1.00 0.00 C ATOM 334 CG LYS A 24 -2.835 -4.362 -13.178 1.00 0.00 C ATOM 335 CD LYS A 24 -3.667 -3.938 -14.390 1.00 0.00 C ATOM 336 CE LYS A 24 -3.702 -5.045 -15.446 1.00 0.00 C ATOM 337 NZ LYS A 24 -5.043 -5.128 -16.065 1.00 0.00 N ATOM 0 H LYS A 24 -2.140 -1.899 -10.166 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.165 -4.296 -11.201 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.448 -3.230 -11.448 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.763 -2.253 -12.732 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.858 -4.714 -13.508 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.321 -5.197 -12.673 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.683 -3.701 -14.073 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.248 -3.030 -14.824 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.953 -4.848 -16.213 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.446 -6.001 -14.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.050 -5.884 -16.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.751 -5.337 -15.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.273 -4.221 -16.519 1.00 0.00 H new ATOM 351 N ARG A 25 0.091 -1.636 -12.638 1.00 0.00 N ATOM 352 CA ARG A 25 1.168 -1.175 -13.498 1.00 0.00 C ATOM 353 C ARG A 25 2.524 -1.466 -12.853 1.00 0.00 C ATOM 354 O ARG A 25 3.527 -1.614 -13.549 1.00 0.00 O ATOM 355 CB ARG A 25 1.051 0.326 -13.770 1.00 0.00 C ATOM 356 CG ARG A 25 0.186 0.594 -15.003 1.00 0.00 C ATOM 357 CD ARG A 25 -0.928 1.594 -14.684 1.00 0.00 C ATOM 358 NE ARG A 25 -1.532 2.096 -15.938 1.00 0.00 N ATOM 359 CZ ARG A 25 -2.191 3.258 -16.041 1.00 0.00 C ATOM 360 NH1 ARG A 25 -2.336 4.045 -14.966 1.00 0.00 N ATOM 361 NH2 ARG A 25 -2.706 3.635 -17.221 1.00 0.00 N ATOM 0 H ARG A 25 -0.463 -0.892 -12.213 1.00 0.00 H new ATOM 0 HA ARG A 25 1.090 -1.711 -14.444 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.618 0.824 -12.902 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.044 0.751 -13.919 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.807 0.982 -15.810 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.249 -0.341 -15.356 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -1.691 1.117 -14.069 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -0.526 2.426 -14.106 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.441 1.522 -16.776 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.944 3.760 -14.068 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.838 4.929 -15.045 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.596 3.037 -18.040 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -3.208 4.520 -17.299 1.00 0.00 H new ATOM 375 N TYR A 26 2.511 -1.539 -11.530 1.00 0.00 N ATOM 376 CA TYR A 26 3.727 -1.809 -10.782 1.00 0.00 C ATOM 377 C TYR A 26 4.003 -3.312 -10.710 1.00 0.00 C ATOM 378 O TYR A 26 5.156 -3.738 -10.747 1.00 0.00 O ATOM 379 CB TYR A 26 3.481 -1.278 -9.369 1.00 0.00 C ATOM 380 CG TYR A 26 4.697 -1.376 -8.447 1.00 0.00 C ATOM 381 CD1 TYR A 26 5.047 -2.590 -7.891 1.00 0.00 C ATOM 382 CD2 TYR A 26 5.445 -0.249 -8.170 1.00 0.00 C ATOM 383 CE1 TYR A 26 6.192 -2.682 -7.023 1.00 0.00 C ATOM 384 CE2 TYR A 26 6.590 -0.341 -7.302 1.00 0.00 C ATOM 385 CZ TYR A 26 6.907 -1.553 -6.771 1.00 0.00 C ATOM 386 OH TYR A 26 7.989 -1.640 -5.951 1.00 0.00 O ATOM 0 H TYR A 26 1.677 -1.416 -10.956 1.00 0.00 H new ATOM 0 HA TYR A 26 4.585 -1.337 -11.261 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.170 -0.235 -9.433 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.654 -1.831 -8.923 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.462 -3.471 -8.107 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.171 0.701 -8.604 1.00 0.00 H new ATOM 0 HE1 TYR A 26 6.477 -3.626 -6.582 1.00 0.00 H new ATOM 0 HE2 TYR A 26 7.184 0.533 -7.077 1.00 0.00 H new ATOM 0 HH TYR A 26 8.404 -0.757 -5.862 1.00 0.00 H new ATOM 396 N VAL A 27 2.925 -4.075 -10.606 1.00 0.00 N ATOM 397 CA VAL A 27 3.037 -5.521 -10.528 1.00 0.00 C ATOM 398 C VAL A 27 3.557 -6.062 -11.861 1.00 0.00 C ATOM 399 O VAL A 27 4.430 -6.928 -11.887 1.00 0.00 O ATOM 400 CB VAL A 27 1.692 -6.128 -10.120 1.00 0.00 C ATOM 401 CG1 VAL A 27 1.852 -7.598 -9.723 1.00 0.00 C ATOM 402 CG2 VAL A 27 1.047 -5.323 -8.991 1.00 0.00 C ATOM 0 H VAL A 27 1.970 -3.719 -10.574 1.00 0.00 H new ATOM 0 HA VAL A 27 3.755 -5.807 -9.760 1.00 0.00 H new ATOM 0 HB VAL A 27 1.029 -6.084 -10.984 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.882 -8.005 -9.438 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.248 -8.162 -10.567 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.540 -7.675 -8.881 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.093 -5.776 -8.720 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.707 -5.320 -8.123 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.881 -4.298 -9.324 1.00 0.00 H new ATOM 412 N LEU A 28 2.999 -5.528 -12.938 1.00 0.00 N ATOM 413 CA LEU A 28 3.395 -5.945 -14.272 1.00 0.00 C ATOM 414 C LEU A 28 4.917 -6.089 -14.325 1.00 0.00 C ATOM 415 O LEU A 28 5.433 -7.158 -14.649 1.00 0.00 O ATOM 416 CB LEU A 28 2.831 -4.988 -15.323 1.00 0.00 C ATOM 417 CG LEU A 28 1.892 -5.608 -16.360 1.00 0.00 C ATOM 418 CD1 LEU A 28 0.502 -5.850 -15.767 1.00 0.00 C ATOM 419 CD2 LEU A 28 1.832 -4.753 -17.627 1.00 0.00 C ATOM 0 H LEU A 28 2.275 -4.810 -12.913 1.00 0.00 H new ATOM 0 HA LEU A 28 2.973 -6.922 -14.506 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.296 -4.190 -14.809 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.666 -4.525 -15.849 1.00 0.00 H new ATOM 0 HG LEU A 28 2.294 -6.580 -16.646 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.145 -6.291 -16.525 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.582 -6.529 -14.918 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.078 -4.902 -15.435 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.158 -5.217 -18.347 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.467 -3.757 -17.377 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.829 -4.675 -18.061 1.00 0.00 H new ATOM 431 N ARG A 29 5.595 -4.997 -14.003 1.00 0.00 N ATOM 432 CA ARG A 29 7.047 -4.987 -14.010 1.00 0.00 C ATOM 433 C ARG A 29 7.577 -4.049 -12.924 1.00 0.00 C ATOM 434 O ARG A 29 7.939 -4.495 -11.835 1.00 0.00 O ATOM 435 CB ARG A 29 7.589 -4.540 -15.369 1.00 0.00 C ATOM 436 CG ARG A 29 6.449 -4.148 -16.312 1.00 0.00 C ATOM 437 CD ARG A 29 5.930 -2.745 -15.990 1.00 0.00 C ATOM 438 NE ARG A 29 4.861 -2.370 -16.942 1.00 0.00 N ATOM 439 CZ ARG A 29 5.087 -1.951 -18.195 1.00 0.00 C ATOM 440 NH1 ARG A 29 6.342 -1.851 -18.653 1.00 0.00 N ATOM 441 NH2 ARG A 29 4.056 -1.631 -18.991 1.00 0.00 N ATOM 0 H ARG A 29 5.164 -4.112 -13.735 1.00 0.00 H new ATOM 0 HA ARG A 29 7.386 -6.004 -13.813 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.263 -3.693 -15.235 1.00 0.00 H new ATOM 0 HB3 ARG A 29 8.173 -5.345 -15.814 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.798 -4.183 -17.344 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.636 -4.869 -16.226 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.547 -2.715 -14.970 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.746 -2.025 -16.045 1.00 0.00 H new ATOM 0 HE ARG A 29 3.893 -2.434 -16.626 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.127 -2.094 -18.048 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.513 -1.532 -19.607 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.100 -1.707 -18.643 1.00 0.00 H new ATOM 0 HH22 ARG A 29 4.228 -1.312 -19.945 1.00 0.00 H new ATOM 455 N SER A 30 7.607 -2.767 -13.256 1.00 0.00 N ATOM 456 CA SER A 30 8.086 -1.762 -12.323 1.00 0.00 C ATOM 457 C SER A 30 8.528 -0.511 -13.084 1.00 0.00 C ATOM 458 O SER A 30 9.636 -0.016 -12.882 1.00 0.00 O ATOM 459 CB SER A 30 9.240 -2.303 -11.476 1.00 0.00 C ATOM 460 OG SER A 30 10.089 -3.170 -12.222 1.00 0.00 O ATOM 0 H SER A 30 7.307 -2.401 -14.159 1.00 0.00 H new ATOM 0 HA SER A 30 7.268 -1.501 -11.651 1.00 0.00 H new ATOM 0 HB2 SER A 30 9.825 -1.470 -11.086 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.838 -2.840 -10.617 1.00 0.00 H new ATOM 0 HG SER A 30 9.828 -4.101 -12.061 1.00 0.00 H new ATOM 466 N GLY A 31 7.639 -0.034 -13.942 1.00 0.00 N ATOM 467 CA GLY A 31 7.923 1.151 -14.734 1.00 0.00 C ATOM 468 C GLY A 31 7.191 2.374 -14.175 1.00 0.00 C ATOM 469 O GLY A 31 7.573 3.510 -14.449 1.00 0.00 O ATOM 0 H GLY A 31 6.721 -0.447 -14.106 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.997 1.338 -14.743 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.621 0.983 -15.768 1.00 0.00 H new ATOM 473 N ILE A 32 6.152 2.097 -13.401 1.00 0.00 N ATOM 474 CA ILE A 32 5.362 3.160 -12.801 1.00 0.00 C ATOM 475 C ILE A 32 6.180 3.836 -11.699 1.00 0.00 C ATOM 476 O ILE A 32 7.230 3.332 -11.302 1.00 0.00 O ATOM 477 CB ILE A 32 4.013 2.620 -12.322 1.00 0.00 C ATOM 478 CG1 ILE A 32 3.042 3.762 -12.016 1.00 0.00 C ATOM 479 CG2 ILE A 32 4.190 1.683 -11.125 1.00 0.00 C ATOM 480 CD1 ILE A 32 1.601 3.254 -11.950 1.00 0.00 C ATOM 0 H ILE A 32 5.839 1.153 -13.175 1.00 0.00 H new ATOM 0 HA ILE A 32 5.128 3.925 -13.541 1.00 0.00 H new ATOM 0 HB ILE A 32 3.575 2.032 -13.129 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.311 4.228 -11.068 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.125 4.531 -12.784 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.216 1.314 -10.805 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.821 0.842 -11.412 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.660 2.226 -10.305 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.932 4.086 -11.731 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.327 2.810 -12.907 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.516 2.503 -11.164 1.00 0.00 H new ATOM 492 N SER A 33 5.667 4.967 -11.235 1.00 0.00 N ATOM 493 CA SER A 33 6.337 5.717 -10.187 1.00 0.00 C ATOM 494 C SER A 33 5.454 5.775 -8.938 1.00 0.00 C ATOM 495 O SER A 33 4.317 6.241 -9.000 1.00 0.00 O ATOM 496 CB SER A 33 6.685 7.131 -10.657 1.00 0.00 C ATOM 497 OG SER A 33 8.086 7.301 -10.847 1.00 0.00 O ATOM 0 H SER A 33 4.796 5.381 -11.566 1.00 0.00 H new ATOM 0 HA SER A 33 7.268 5.205 -9.943 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.164 7.341 -11.591 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.328 7.855 -9.924 1.00 0.00 H new ATOM 0 HG SER A 33 8.267 8.216 -11.149 1.00 0.00 H new ATOM 503 N ILE A 34 6.009 5.294 -7.836 1.00 0.00 N ATOM 504 CA ILE A 34 5.286 5.286 -6.575 1.00 0.00 C ATOM 505 C ILE A 34 6.272 5.497 -5.425 1.00 0.00 C ATOM 506 O ILE A 34 7.473 5.644 -5.651 1.00 0.00 O ATOM 507 CB ILE A 34 4.453 4.010 -6.445 1.00 0.00 C ATOM 508 CG1 ILE A 34 5.349 2.788 -6.230 1.00 0.00 C ATOM 509 CG2 ILE A 34 3.526 3.834 -7.649 1.00 0.00 C ATOM 510 CD1 ILE A 34 4.568 1.642 -5.585 1.00 0.00 C ATOM 0 H ILE A 34 6.951 4.907 -7.790 1.00 0.00 H new ATOM 0 HA ILE A 34 4.573 6.110 -6.538 1.00 0.00 H new ATOM 0 HB ILE A 34 3.821 4.106 -5.562 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.759 2.461 -7.185 1.00 0.00 H new ATOM 0 HG13 ILE A 34 6.194 3.059 -5.597 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.946 2.919 -7.531 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.850 4.687 -7.715 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.121 3.771 -8.560 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.228 0.786 -5.443 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.180 1.965 -4.619 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.739 1.357 -6.232 1.00 0.00 H new ATOM 522 N ASN A 35 5.729 5.505 -4.217 1.00 0.00 N ATOM 523 CA ASN A 35 6.547 5.695 -3.030 1.00 0.00 C ATOM 524 C ASN A 35 7.208 4.368 -2.654 1.00 0.00 C ATOM 525 O ASN A 35 7.250 4.003 -1.480 1.00 0.00 O ATOM 526 CB ASN A 35 5.696 6.154 -1.845 1.00 0.00 C ATOM 527 CG ASN A 35 5.050 4.959 -1.139 1.00 0.00 C ATOM 528 OD1 ASN A 35 4.853 4.949 0.065 1.00 0.00 O ATOM 529 ND2 ASN A 35 4.734 3.956 -1.953 1.00 0.00 N ATOM 0 H ASN A 35 4.733 5.383 -4.034 1.00 0.00 H new ATOM 0 HA ASN A 35 7.295 6.456 -3.253 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.316 6.706 -1.139 1.00 0.00 H new ATOM 0 HB3 ASN A 35 4.922 6.838 -2.192 1.00 0.00 H new ATOM 0 HD21 ASN A 35 4.299 3.113 -1.578 1.00 0.00 H new ATOM 0 HD22 ASN A 35 4.927 4.030 -2.952 1.00 0.00 H new ATOM 536 N THR A 36 7.708 3.683 -3.671 1.00 0.00 N ATOM 537 CA THR A 36 8.365 2.405 -3.462 1.00 0.00 C ATOM 538 C THR A 36 9.204 2.439 -2.182 1.00 0.00 C ATOM 539 O THR A 36 9.385 1.415 -1.525 1.00 0.00 O ATOM 540 CB THR A 36 9.181 2.081 -4.714 1.00 0.00 C ATOM 541 OG1 THR A 36 10.202 1.204 -4.248 1.00 0.00 O ATOM 542 CG2 THR A 36 9.947 3.295 -5.244 1.00 0.00 C ATOM 0 H THR A 36 7.671 3.989 -4.643 1.00 0.00 H new ATOM 0 HA THR A 36 7.637 1.607 -3.316 1.00 0.00 H new ATOM 0 HB THR A 36 8.517 1.703 -5.491 1.00 0.00 H new ATOM 0 HG1 THR A 36 10.777 0.943 -4.998 1.00 0.00 H new ATOM 0 HG21 THR A 36 10.510 3.010 -6.133 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.243 4.087 -5.498 1.00 0.00 H new ATOM 0 HG23 THR A 36 10.635 3.654 -4.479 1.00 0.00 H new ATOM 550 N ASP A 37 9.694 3.629 -1.867 1.00 0.00 N ATOM 551 CA ASP A 37 10.510 3.811 -0.678 1.00 0.00 C ATOM 552 C ASP A 37 9.915 2.997 0.472 1.00 0.00 C ATOM 553 O ASP A 37 10.463 1.963 0.854 1.00 0.00 O ATOM 554 CB ASP A 37 10.541 5.281 -0.251 1.00 0.00 C ATOM 555 CG ASP A 37 11.788 6.054 -0.684 1.00 0.00 C ATOM 556 OD1 ASP A 37 12.172 5.897 -1.863 1.00 0.00 O ATOM 557 OD2 ASP A 37 12.329 6.783 0.174 1.00 0.00 O ATOM 0 H ASP A 37 9.542 4.476 -2.414 1.00 0.00 H new ATOM 0 HA ASP A 37 11.523 3.481 -0.910 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.662 5.781 -0.659 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.460 5.330 0.835 1.00 0.00 H new ATOM 562 N ASN A 38 8.803 3.493 0.994 1.00 0.00 N ATOM 563 CA ASN A 38 8.128 2.824 2.093 1.00 0.00 C ATOM 564 C ASN A 38 6.813 2.225 1.590 1.00 0.00 C ATOM 565 O ASN A 38 5.782 2.343 2.250 1.00 0.00 O ATOM 566 CB ASN A 38 7.800 3.808 3.218 1.00 0.00 C ATOM 567 CG ASN A 38 7.366 5.163 2.653 1.00 0.00 C ATOM 568 OD1 ASN A 38 8.012 5.741 1.796 1.00 0.00 O ATOM 569 ND2 ASN A 38 6.239 5.632 3.180 1.00 0.00 N ATOM 0 H ASN A 38 8.352 4.351 0.676 1.00 0.00 H new ATOM 0 HA ASN A 38 8.792 2.048 2.474 1.00 0.00 H new ATOM 0 HB2 ASN A 38 7.006 3.400 3.843 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.673 3.939 3.857 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.865 6.529 2.869 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.748 5.095 3.895 1.00 0.00 H new ATOM 576 N ALA A 39 6.893 1.597 0.427 1.00 0.00 N ATOM 577 CA ALA A 39 5.721 0.979 -0.172 1.00 0.00 C ATOM 578 C ALA A 39 5.667 -0.497 0.230 1.00 0.00 C ATOM 579 O ALA A 39 4.714 -0.933 0.875 1.00 0.00 O ATOM 580 CB ALA A 39 5.764 1.169 -1.689 1.00 0.00 C ATOM 0 H ALA A 39 7.750 1.502 -0.117 1.00 0.00 H new ATOM 0 HA ALA A 39 4.809 1.453 0.190 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.886 0.706 -2.139 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.772 2.234 -1.922 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.665 0.703 -2.089 1.00 0.00 H new ATOM 586 N ASP A 40 6.700 -1.224 -0.169 1.00 0.00 N ATOM 587 CA ASP A 40 6.781 -2.641 0.140 1.00 0.00 C ATOM 588 C ASP A 40 6.881 -2.822 1.656 1.00 0.00 C ATOM 589 O ASP A 40 7.325 -1.920 2.365 1.00 0.00 O ATOM 590 CB ASP A 40 8.022 -3.273 -0.494 1.00 0.00 C ATOM 591 CG ASP A 40 8.346 -4.687 -0.010 1.00 0.00 C ATOM 592 OD1 ASP A 40 7.379 -5.423 0.286 1.00 0.00 O ATOM 593 OD2 ASP A 40 9.554 -5.002 0.055 1.00 0.00 O ATOM 0 H ASP A 40 7.488 -0.858 -0.704 1.00 0.00 H new ATOM 0 HA ASP A 40 5.888 -3.124 -0.256 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.887 -3.297 -1.575 1.00 0.00 H new ATOM 0 HB3 ASP A 40 8.880 -2.631 -0.295 1.00 0.00 H new ATOM 598 N LEU A 41 6.463 -3.994 2.109 1.00 0.00 N ATOM 599 CA LEU A 41 6.500 -4.306 3.527 1.00 0.00 C ATOM 600 C LEU A 41 6.588 -5.822 3.711 1.00 0.00 C ATOM 601 O LEU A 41 6.194 -6.350 4.750 1.00 0.00 O ATOM 602 CB LEU A 41 5.310 -3.667 4.247 1.00 0.00 C ATOM 603 CG LEU A 41 5.171 -2.151 4.098 1.00 0.00 C ATOM 604 CD1 LEU A 41 3.796 -1.677 4.575 1.00 0.00 C ATOM 605 CD2 LEU A 41 6.309 -1.423 4.816 1.00 0.00 C ATOM 0 H LEU A 41 6.096 -4.740 1.518 1.00 0.00 H new ATOM 0 HA LEU A 41 7.390 -3.878 3.988 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.396 -4.133 3.880 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.384 -3.902 5.309 1.00 0.00 H new ATOM 0 HG LEU A 41 5.248 -1.903 3.039 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.723 -0.596 4.458 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.019 -2.159 3.982 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.665 -1.938 5.625 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.186 -0.347 4.694 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.289 -1.673 5.877 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.264 -1.730 4.389 1.00 0.00 H new ATOM 617 N ASN A 42 7.107 -6.481 2.685 1.00 0.00 N ATOM 618 CA ASN A 42 7.251 -7.927 2.720 1.00 0.00 C ATOM 619 C ASN A 42 8.013 -8.389 1.475 1.00 0.00 C ATOM 620 O ASN A 42 7.709 -9.439 0.912 1.00 0.00 O ATOM 621 CB ASN A 42 5.886 -8.617 2.723 1.00 0.00 C ATOM 622 CG ASN A 42 5.104 -8.289 1.449 1.00 0.00 C ATOM 623 OD1 ASN A 42 5.130 -7.179 0.942 1.00 0.00 O ATOM 624 ND2 ASN A 42 4.408 -9.312 0.963 1.00 0.00 N ATOM 0 H ASN A 42 7.433 -6.041 1.825 1.00 0.00 H new ATOM 0 HA ASN A 42 7.789 -8.191 3.630 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.020 -9.696 2.805 1.00 0.00 H new ATOM 0 HB3 ASN A 42 5.316 -8.300 3.596 1.00 0.00 H new ATOM 0 HD21 ASN A 42 3.852 -9.194 0.116 1.00 0.00 H new ATOM 0 HD22 ASN A 42 4.430 -10.215 1.437 1.00 0.00 H new ATOM 631 N GLU A 43 8.987 -7.581 1.084 1.00 0.00 N ATOM 632 CA GLU A 43 9.794 -7.894 -0.084 1.00 0.00 C ATOM 633 C GLU A 43 8.897 -8.288 -1.259 1.00 0.00 C ATOM 634 O GLU A 43 9.188 -9.246 -1.973 1.00 0.00 O ATOM 635 CB GLU A 43 10.805 -8.999 0.229 1.00 0.00 C ATOM 636 CG GLU A 43 11.847 -8.519 1.241 1.00 0.00 C ATOM 637 CD GLU A 43 12.847 -9.630 1.568 1.00 0.00 C ATOM 638 OE1 GLU A 43 13.607 -9.999 0.648 1.00 0.00 O ATOM 639 OE2 GLU A 43 12.827 -10.086 2.732 1.00 0.00 O ATOM 0 H GLU A 43 9.236 -6.711 1.554 1.00 0.00 H new ATOM 0 HA GLU A 43 10.355 -7.002 -0.364 1.00 0.00 H new ATOM 0 HB2 GLU A 43 10.285 -9.872 0.624 1.00 0.00 H new ATOM 0 HB3 GLU A 43 11.302 -9.313 -0.689 1.00 0.00 H new ATOM 0 HG2 GLU A 43 12.377 -7.655 0.841 1.00 0.00 H new ATOM 0 HG3 GLU A 43 11.349 -8.193 2.154 1.00 0.00 H new ATOM 646 N ASP A 44 7.824 -7.528 -1.424 1.00 0.00 N ATOM 647 CA ASP A 44 6.883 -7.786 -2.500 1.00 0.00 C ATOM 648 C ASP A 44 6.842 -6.576 -3.437 1.00 0.00 C ATOM 649 O ASP A 44 6.700 -6.730 -4.649 1.00 0.00 O ATOM 650 CB ASP A 44 5.471 -8.010 -1.955 1.00 0.00 C ATOM 651 CG ASP A 44 4.530 -6.811 -2.086 1.00 0.00 C ATOM 652 OD1 ASP A 44 4.145 -6.514 -3.239 1.00 0.00 O ATOM 653 OD2 ASP A 44 4.216 -6.218 -1.032 1.00 0.00 O ATOM 0 H ASP A 44 7.586 -6.734 -0.830 1.00 0.00 H new ATOM 0 HA ASP A 44 7.212 -8.681 -3.028 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.028 -8.859 -2.475 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.543 -8.283 -0.902 1.00 0.00 H new ATOM 658 N GLY A 45 6.969 -5.401 -2.839 1.00 0.00 N ATOM 659 CA GLY A 45 6.948 -4.166 -3.605 1.00 0.00 C ATOM 660 C GLY A 45 5.952 -3.169 -3.010 1.00 0.00 C ATOM 661 O GLY A 45 6.343 -2.105 -2.532 1.00 0.00 O ATOM 0 H GLY A 45 7.087 -5.278 -1.833 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.945 -3.725 -3.619 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.680 -4.380 -4.640 1.00 0.00 H new ATOM 665 N ARG A 46 4.683 -3.549 -3.058 1.00 0.00 N ATOM 666 CA ARG A 46 3.629 -2.701 -2.529 1.00 0.00 C ATOM 667 C ARG A 46 2.483 -3.557 -1.984 1.00 0.00 C ATOM 668 O ARG A 46 2.105 -3.426 -0.821 1.00 0.00 O ATOM 669 CB ARG A 46 3.086 -1.761 -3.608 1.00 0.00 C ATOM 670 CG ARG A 46 3.770 -2.014 -4.951 1.00 0.00 C ATOM 671 CD ARG A 46 3.096 -3.165 -5.702 1.00 0.00 C ATOM 672 NE ARG A 46 3.911 -4.394 -5.583 1.00 0.00 N ATOM 673 CZ ARG A 46 3.463 -5.623 -5.871 1.00 0.00 C ATOM 674 NH1 ARG A 46 2.204 -5.795 -6.299 1.00 0.00 N ATOM 675 NH2 ARG A 46 4.273 -6.681 -5.733 1.00 0.00 N ATOM 0 H ARG A 46 4.362 -4.432 -3.455 1.00 0.00 H new ATOM 0 HA ARG A 46 4.056 -2.104 -1.723 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.010 -1.903 -3.711 1.00 0.00 H new ATOM 0 HB3 ARG A 46 3.243 -0.726 -3.306 1.00 0.00 H new ATOM 0 HG2 ARG A 46 3.734 -1.109 -5.558 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.822 -2.248 -4.789 1.00 0.00 H new ATOM 0 HD2 ARG A 46 2.099 -3.340 -5.297 1.00 0.00 H new ATOM 0 HD3 ARG A 46 2.972 -2.901 -6.752 1.00 0.00 H new ATOM 0 HE ARG A 46 4.874 -4.299 -5.262 1.00 0.00 H new ATOM 0 HH11 ARG A 46 1.587 -4.990 -6.405 1.00 0.00 H new ATOM 0 HH12 ARG A 46 1.863 -6.731 -6.518 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.231 -6.551 -5.409 1.00 0.00 H new ATOM 0 HH22 ARG A 46 3.932 -7.617 -5.952 1.00 0.00 H new ATOM 689 N VAL A 47 1.962 -4.413 -2.851 1.00 0.00 N ATOM 690 CA VAL A 47 0.868 -5.289 -2.471 1.00 0.00 C ATOM 691 C VAL A 47 0.851 -6.508 -3.397 1.00 0.00 C ATOM 692 O VAL A 47 0.487 -6.398 -4.566 1.00 0.00 O ATOM 693 CB VAL A 47 -0.451 -4.514 -2.480 1.00 0.00 C ATOM 694 CG1 VAL A 47 -1.641 -5.459 -2.658 1.00 0.00 C ATOM 695 CG2 VAL A 47 -0.602 -3.676 -1.209 1.00 0.00 C ATOM 0 H VAL A 47 2.278 -4.518 -3.815 1.00 0.00 H new ATOM 0 HA VAL A 47 1.008 -5.655 -1.454 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.434 -3.833 -3.331 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.566 -4.883 -2.661 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.543 -5.993 -3.603 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.663 -6.176 -1.837 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.548 -3.135 -1.240 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.587 -4.331 -0.338 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.221 -2.965 -1.142 1.00 0.00 H new ATOM 705 N ASN A 48 1.249 -7.641 -2.838 1.00 0.00 N ATOM 706 CA ASN A 48 1.284 -8.878 -3.599 1.00 0.00 C ATOM 707 C ASN A 48 -0.056 -9.601 -3.452 1.00 0.00 C ATOM 708 O ASN A 48 -0.653 -10.019 -4.443 1.00 0.00 O ATOM 709 CB ASN A 48 2.383 -9.810 -3.084 1.00 0.00 C ATOM 710 CG ASN A 48 3.377 -10.153 -4.196 1.00 0.00 C ATOM 711 OD1 ASN A 48 4.141 -9.132 -4.572 1.00 0.00 O flip ATOM 712 ND2 ASN A 48 3.444 -11.271 -4.681 1.00 0.00 N flip ATOM 0 H ASN A 48 1.550 -7.728 -1.867 1.00 0.00 H new ATOM 0 HA ASN A 48 1.482 -8.627 -4.641 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.908 -9.335 -2.255 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.936 -10.725 -2.696 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.827 -12.010 -4.345 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.117 -11.466 -5.422 1.00 0.00 H new ATOM 719 N SER A 49 -0.490 -9.727 -2.207 1.00 0.00 N ATOM 720 CA SER A 49 -1.749 -10.393 -1.916 1.00 0.00 C ATOM 721 C SER A 49 -1.994 -10.413 -0.406 1.00 0.00 C ATOM 722 O SER A 49 -3.130 -10.275 0.044 1.00 0.00 O ATOM 723 CB SER A 49 -1.761 -11.816 -2.475 1.00 0.00 C ATOM 724 OG SER A 49 -0.762 -12.635 -1.873 1.00 0.00 O ATOM 0 H SER A 49 0.008 -9.379 -1.387 1.00 0.00 H new ATOM 0 HA SER A 49 -2.551 -9.835 -2.400 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.742 -12.262 -2.311 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.602 -11.783 -3.553 1.00 0.00 H new ATOM 0 HG SER A 49 -0.804 -13.536 -2.256 1.00 0.00 H new ATOM 730 N THR A 50 -0.910 -10.586 0.335 1.00 0.00 N ATOM 731 CA THR A 50 -0.992 -10.626 1.785 1.00 0.00 C ATOM 732 C THR A 50 -0.976 -9.209 2.360 1.00 0.00 C ATOM 733 O THR A 50 -1.688 -8.916 3.320 1.00 0.00 O ATOM 734 CB THR A 50 0.150 -11.504 2.300 1.00 0.00 C ATOM 735 OG1 THR A 50 -0.194 -12.816 1.862 1.00 0.00 O ATOM 736 CG2 THR A 50 0.165 -11.612 3.826 1.00 0.00 C ATOM 0 H THR A 50 0.031 -10.700 -0.042 1.00 0.00 H new ATOM 0 HA THR A 50 -1.933 -11.066 2.115 1.00 0.00 H new ATOM 0 HB THR A 50 1.101 -11.098 1.956 1.00 0.00 H new ATOM 0 HG1 THR A 50 0.495 -13.449 2.152 1.00 0.00 H new ATOM 0 HG21 THR A 50 0.995 -12.246 4.138 1.00 0.00 H new ATOM 0 HG22 THR A 50 0.284 -10.619 4.260 1.00 0.00 H new ATOM 0 HG23 THR A 50 -0.773 -12.048 4.169 1.00 0.00 H new ATOM 744 N ASP A 51 -0.156 -8.366 1.749 1.00 0.00 N ATOM 745 CA ASP A 51 -0.038 -6.986 2.189 1.00 0.00 C ATOM 746 C ASP A 51 -1.349 -6.251 1.903 1.00 0.00 C ATOM 747 O ASP A 51 -1.698 -5.302 2.604 1.00 0.00 O ATOM 748 CB ASP A 51 1.082 -6.263 1.438 1.00 0.00 C ATOM 749 CG ASP A 51 2.304 -5.906 2.287 1.00 0.00 C ATOM 750 OD1 ASP A 51 2.283 -4.802 2.874 1.00 0.00 O ATOM 751 OD2 ASP A 51 3.230 -6.745 2.330 1.00 0.00 O ATOM 0 H ASP A 51 0.433 -8.612 0.953 1.00 0.00 H new ATOM 0 HA ASP A 51 0.186 -6.990 3.256 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.406 -6.890 0.608 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.678 -5.347 1.007 1.00 0.00 H new ATOM 756 N LEU A 52 -2.040 -6.717 0.874 1.00 0.00 N ATOM 757 CA LEU A 52 -3.306 -6.115 0.488 1.00 0.00 C ATOM 758 C LEU A 52 -4.223 -6.038 1.710 1.00 0.00 C ATOM 759 O LEU A 52 -4.848 -5.008 1.957 1.00 0.00 O ATOM 760 CB LEU A 52 -3.918 -6.869 -0.694 1.00 0.00 C ATOM 761 CG LEU A 52 -5.305 -7.470 -0.460 1.00 0.00 C ATOM 762 CD1 LEU A 52 -6.391 -6.394 -0.537 1.00 0.00 C ATOM 763 CD2 LEU A 52 -5.573 -8.624 -1.429 1.00 0.00 C ATOM 0 H LEU A 52 -1.748 -7.504 0.295 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.152 -5.093 0.140 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -3.978 -6.187 -1.543 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.239 -7.673 -0.978 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.332 -7.882 0.549 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.367 -6.849 -0.367 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -6.207 -5.636 0.224 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.374 -5.930 -1.523 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.566 -9.034 -1.241 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.519 -8.258 -2.454 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.825 -9.403 -1.282 1.00 0.00 H new ATOM 775 N GLY A 53 -4.274 -7.142 2.442 1.00 0.00 N ATOM 776 CA GLY A 53 -5.104 -7.212 3.633 1.00 0.00 C ATOM 777 C GLY A 53 -4.635 -6.208 4.689 1.00 0.00 C ATOM 778 O GLY A 53 -5.377 -5.302 5.061 1.00 0.00 O ATOM 0 H GLY A 53 -3.754 -7.995 2.233 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.142 -7.010 3.369 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -5.071 -8.221 4.045 1.00 0.00 H new ATOM 782 N ILE A 54 -3.405 -6.405 5.140 1.00 0.00 N ATOM 783 CA ILE A 54 -2.828 -5.529 6.145 1.00 0.00 C ATOM 784 C ILE A 54 -3.175 -4.077 5.810 1.00 0.00 C ATOM 785 O ILE A 54 -3.590 -3.316 6.683 1.00 0.00 O ATOM 786 CB ILE A 54 -1.326 -5.785 6.282 1.00 0.00 C ATOM 787 CG1 ILE A 54 -1.054 -6.967 7.216 1.00 0.00 C ATOM 788 CG2 ILE A 54 -0.591 -4.520 6.730 1.00 0.00 C ATOM 789 CD1 ILE A 54 -1.156 -6.541 8.682 1.00 0.00 C ATOM 0 H ILE A 54 -2.792 -7.158 4.828 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.255 -5.742 7.125 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.935 -6.053 5.300 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.768 -7.766 7.015 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.061 -7.370 7.019 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.475 -4.731 6.819 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.744 -3.730 5.995 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.979 -4.197 7.696 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.959 -7.399 9.325 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.424 -5.759 8.885 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.158 -6.161 8.882 1.00 0.00 H new ATOM 801 N LEU A 55 -2.992 -3.736 4.543 1.00 0.00 N ATOM 802 CA LEU A 55 -3.280 -2.388 4.081 1.00 0.00 C ATOM 803 C LEU A 55 -4.762 -2.083 4.306 1.00 0.00 C ATOM 804 O LEU A 55 -5.105 -1.164 5.050 1.00 0.00 O ATOM 805 CB LEU A 55 -2.829 -2.211 2.629 1.00 0.00 C ATOM 806 CG LEU A 55 -1.382 -1.757 2.427 1.00 0.00 C ATOM 807 CD1 LEU A 55 -1.230 -0.264 2.720 1.00 0.00 C ATOM 808 CD2 LEU A 55 -0.420 -2.606 3.261 1.00 0.00 C ATOM 0 H LEU A 55 -2.648 -4.370 3.822 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.712 -1.658 4.658 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.968 -3.158 2.108 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.487 -1.485 2.151 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.120 -1.908 1.380 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.192 0.033 2.569 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.872 0.306 2.048 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.518 -0.065 3.752 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.602 -2.263 3.099 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.672 -2.510 4.317 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.504 -3.651 2.961 1.00 0.00 H new ATOM 820 N LYS A 56 -5.602 -2.871 3.651 1.00 0.00 N ATOM 821 CA LYS A 56 -7.040 -2.697 3.770 1.00 0.00 C ATOM 822 C LYS A 56 -7.462 -2.955 5.218 1.00 0.00 C ATOM 823 O LYS A 56 -8.640 -2.847 5.553 1.00 0.00 O ATOM 824 CB LYS A 56 -7.771 -3.571 2.750 1.00 0.00 C ATOM 825 CG LYS A 56 -9.282 -3.559 3.001 1.00 0.00 C ATOM 826 CD LYS A 56 -10.050 -3.954 1.739 1.00 0.00 C ATOM 827 CE LYS A 56 -11.140 -4.979 2.059 1.00 0.00 C ATOM 828 NZ LYS A 56 -10.940 -6.215 1.269 1.00 0.00 N ATOM 0 H LYS A 56 -5.314 -3.632 3.036 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.321 -1.671 3.534 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -7.563 -3.212 1.742 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.397 -4.593 2.807 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.525 -4.248 3.810 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -9.593 -2.565 3.324 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -10.499 -3.068 1.290 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -9.360 -4.369 1.004 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.124 -5.214 3.123 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -12.120 -4.556 1.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -11.689 -6.899 1.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -10.978 -5.989 0.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -10.013 -6.627 1.498 1.00 0.00 H new ATOM 842 N ARG A 57 -6.477 -3.291 6.037 1.00 0.00 N ATOM 843 CA ARG A 57 -6.731 -3.566 7.441 1.00 0.00 C ATOM 844 C ARG A 57 -6.599 -2.284 8.265 1.00 0.00 C ATOM 845 O ARG A 57 -7.509 -1.926 9.010 1.00 0.00 O ATOM 846 CB ARG A 57 -5.757 -4.615 7.983 1.00 0.00 C ATOM 847 CG ARG A 57 -6.504 -5.863 8.457 1.00 0.00 C ATOM 848 CD ARG A 57 -5.603 -7.099 8.387 1.00 0.00 C ATOM 849 NE ARG A 57 -6.264 -8.244 9.052 1.00 0.00 N ATOM 850 CZ ARG A 57 -5.779 -9.493 9.057 1.00 0.00 C ATOM 851 NH1 ARG A 57 -4.625 -9.765 8.431 1.00 0.00 N ATOM 852 NH2 ARG A 57 -6.446 -10.470 9.686 1.00 0.00 N ATOM 0 H ARG A 57 -5.501 -3.379 5.755 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.747 -3.953 7.524 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -5.042 -4.888 7.207 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -5.185 -4.193 8.810 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.850 -5.718 9.480 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.389 -6.018 7.840 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -5.390 -7.345 7.347 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -4.647 -6.891 8.868 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.144 -8.071 9.537 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -4.117 -9.021 7.952 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -4.255 -10.715 8.434 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -7.324 -10.263 10.162 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -6.076 -11.420 9.689 1.00 0.00 H new ATOM 866 N TYR A 58 -5.459 -1.628 8.103 1.00 0.00 N ATOM 867 CA TYR A 58 -5.197 -0.394 8.823 1.00 0.00 C ATOM 868 C TYR A 58 -5.669 0.820 8.019 1.00 0.00 C ATOM 869 O TYR A 58 -6.013 1.852 8.592 1.00 0.00 O ATOM 870 CB TYR A 58 -3.679 -0.320 8.993 1.00 0.00 C ATOM 871 CG TYR A 58 -2.947 0.291 7.795 1.00 0.00 C ATOM 872 CD1 TYR A 58 -2.955 1.658 7.607 1.00 0.00 C ATOM 873 CD2 TYR A 58 -2.281 -0.525 6.905 1.00 0.00 C ATOM 874 CE1 TYR A 58 -2.266 2.232 6.480 1.00 0.00 C ATOM 875 CE2 TYR A 58 -1.592 0.049 5.778 1.00 0.00 C ATOM 876 CZ TYR A 58 -1.618 1.399 5.622 1.00 0.00 C ATOM 877 OH TYR A 58 -0.968 1.942 4.557 1.00 0.00 O ATOM 0 H TYR A 58 -4.706 -1.928 7.483 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.725 -0.386 9.776 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -3.452 0.267 9.883 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -3.294 -1.325 9.167 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -3.477 2.297 8.304 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -2.276 -1.595 7.053 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -2.264 3.300 6.320 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -1.067 -0.579 5.073 1.00 0.00 H new ATOM 0 HH TYR A 58 -0.013 2.018 4.761 1.00 0.00 H new ATOM 887 N ILE A 59 -5.669 0.656 6.704 1.00 0.00 N ATOM 888 CA ILE A 59 -6.091 1.725 5.816 1.00 0.00 C ATOM 889 C ILE A 59 -7.615 1.847 5.862 1.00 0.00 C ATOM 890 O ILE A 59 -8.193 2.704 5.197 1.00 0.00 O ATOM 891 CB ILE A 59 -5.535 1.503 4.408 1.00 0.00 C ATOM 892 CG1 ILE A 59 -6.430 0.554 3.608 1.00 0.00 C ATOM 893 CG2 ILE A 59 -4.086 1.014 4.461 1.00 0.00 C ATOM 894 CD1 ILE A 59 -7.115 1.290 2.454 1.00 0.00 C ATOM 0 H ILE A 59 -5.383 -0.202 6.232 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.683 2.680 6.148 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.533 2.461 3.887 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.834 -0.270 3.216 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -7.183 0.118 4.265 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.715 0.864 3.447 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.469 1.757 4.967 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -4.040 0.072 5.007 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.745 0.593 1.901 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -7.729 2.098 2.851 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -6.359 1.704 1.786 1.00 0.00 H new ATOM 906 N LEU A 60 -8.223 0.979 6.657 1.00 0.00 N ATOM 907 CA LEU A 60 -9.670 0.980 6.800 1.00 0.00 C ATOM 908 C LEU A 60 -10.100 2.226 7.576 1.00 0.00 C ATOM 909 O LEU A 60 -10.959 2.979 7.121 1.00 0.00 O ATOM 910 CB LEU A 60 -10.147 -0.332 7.427 1.00 0.00 C ATOM 911 CG LEU A 60 -11.620 -0.682 7.210 1.00 0.00 C ATOM 912 CD1 LEU A 60 -11.886 -1.056 5.751 1.00 0.00 C ATOM 913 CD2 LEU A 60 -12.070 -1.782 8.175 1.00 0.00 C ATOM 0 H LEU A 60 -7.740 0.270 7.209 1.00 0.00 H new ATOM 0 HA LEU A 60 -10.150 1.032 5.823 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.539 -1.144 7.029 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.959 -0.289 8.500 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.217 0.203 7.429 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.941 -1.300 5.624 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -11.629 -0.215 5.107 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -11.279 -1.920 5.480 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.121 -2.012 8.000 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.470 -2.677 8.011 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -11.940 -1.441 9.202 1.00 0.00 H new ATOM 925 N LYS A 61 -9.485 2.403 8.736 1.00 0.00 N ATOM 926 CA LYS A 61 -9.794 3.544 9.581 1.00 0.00 C ATOM 927 C LYS A 61 -8.893 3.517 10.816 1.00 0.00 C ATOM 928 O LYS A 61 -8.508 4.567 11.331 1.00 0.00 O ATOM 929 CB LYS A 61 -11.288 3.579 9.908 1.00 0.00 C ATOM 930 CG LYS A 61 -11.645 2.515 10.949 1.00 0.00 C ATOM 931 CD LYS A 61 -11.848 1.150 10.290 1.00 0.00 C ATOM 932 CE LYS A 61 -13.247 0.602 10.582 1.00 0.00 C ATOM 933 NZ LYS A 61 -14.191 0.998 9.514 1.00 0.00 N ATOM 0 H LYS A 61 -8.774 1.775 9.111 1.00 0.00 H new ATOM 0 HA LYS A 61 -9.585 4.476 9.055 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -11.559 4.566 10.283 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -11.867 3.413 9.000 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -10.852 2.449 11.694 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -12.553 2.807 11.476 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -11.705 1.238 9.213 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -11.096 0.451 10.655 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -13.210 -0.485 10.658 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -13.598 0.977 11.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -15.165 0.799 9.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -14.090 2.015 9.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -13.983 0.459 8.649 1.00 0.00 H new ATOM 947 N GLU A 62 -8.583 2.307 11.257 1.00 0.00 N ATOM 948 CA GLU A 62 -7.734 2.131 12.424 1.00 0.00 C ATOM 949 C GLU A 62 -6.287 2.493 12.087 1.00 0.00 C ATOM 950 O GLU A 62 -5.395 2.344 12.921 1.00 0.00 O ATOM 951 CB GLU A 62 -7.831 0.701 12.960 1.00 0.00 C ATOM 952 CG GLU A 62 -8.422 0.683 14.371 1.00 0.00 C ATOM 953 CD GLU A 62 -9.157 -0.631 14.642 1.00 0.00 C ATOM 954 OE1 GLU A 62 -10.297 -0.756 14.147 1.00 0.00 O ATOM 955 OE2 GLU A 62 -8.559 -1.482 15.337 1.00 0.00 O ATOM 0 H GLU A 62 -8.904 1.439 10.828 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.082 2.803 13.208 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.451 0.101 12.294 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -6.841 0.245 12.971 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.626 0.816 15.104 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.110 1.520 14.492 1.00 0.00 H new ATOM 962 N ILE A 63 -6.098 2.964 10.863 1.00 0.00 N ATOM 963 CA ILE A 63 -4.773 3.349 10.405 1.00 0.00 C ATOM 964 C ILE A 63 -3.985 3.937 11.576 1.00 0.00 C ATOM 965 O ILE A 63 -4.489 4.795 12.300 1.00 0.00 O ATOM 966 CB ILE A 63 -4.874 4.285 9.200 1.00 0.00 C ATOM 967 CG1 ILE A 63 -3.631 5.169 9.086 1.00 0.00 C ATOM 968 CG2 ILE A 63 -6.162 5.110 9.253 1.00 0.00 C ATOM 969 CD1 ILE A 63 -3.405 5.616 7.641 1.00 0.00 C ATOM 0 H ILE A 63 -6.840 3.088 10.174 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.222 2.476 10.056 1.00 0.00 H new ATOM 0 HB ILE A 63 -4.919 3.676 8.297 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.742 6.043 9.727 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.758 4.622 9.442 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.209 5.767 8.385 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.023 4.441 9.249 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -6.173 5.710 10.163 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.515 6.243 7.589 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.269 4.740 7.006 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.269 6.184 7.296 1.00 0.00 H new ATOM 981 N ASP A 64 -2.761 3.452 11.728 1.00 0.00 N ATOM 982 CA ASP A 64 -1.898 3.921 12.799 1.00 0.00 C ATOM 983 C ASP A 64 -0.765 2.914 13.012 1.00 0.00 C ATOM 984 O ASP A 64 -0.455 2.553 14.146 1.00 0.00 O ATOM 985 CB ASP A 64 -2.672 4.046 14.114 1.00 0.00 C ATOM 986 CG ASP A 64 -3.189 5.452 14.427 1.00 0.00 C ATOM 987 OD1 ASP A 64 -2.684 6.398 13.788 1.00 0.00 O ATOM 988 OD2 ASP A 64 -4.080 5.546 15.299 1.00 0.00 O ATOM 0 H ASP A 64 -2.347 2.739 11.127 1.00 0.00 H new ATOM 0 HA ASP A 64 -1.507 4.898 12.515 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.519 3.361 14.086 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.027 3.722 14.931 1.00 0.00 H new ATOM 993 N THR A 65 -0.178 2.490 11.902 1.00 0.00 N ATOM 994 CA THR A 65 0.913 1.532 11.952 1.00 0.00 C ATOM 995 C THR A 65 0.369 0.103 12.003 1.00 0.00 C ATOM 996 O THR A 65 0.195 -0.461 13.082 1.00 0.00 O ATOM 997 CB THR A 65 1.799 1.887 13.149 1.00 0.00 C ATOM 998 OG1 THR A 65 1.799 3.312 13.170 1.00 0.00 O ATOM 999 CG2 THR A 65 3.266 1.517 12.922 1.00 0.00 C ATOM 0 H THR A 65 -0.438 2.792 10.963 1.00 0.00 H new ATOM 0 HA THR A 65 1.523 1.581 11.050 1.00 0.00 H new ATOM 0 HB THR A 65 1.430 1.376 14.038 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.349 3.628 13.917 1.00 0.00 H new ATOM 0 HG21 THR A 65 3.850 1.790 13.801 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.348 0.444 12.751 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.646 2.053 12.053 1.00 0.00 H new ATOM 1007 N LEU A 66 0.113 -0.441 10.822 1.00 0.00 N ATOM 1008 CA LEU A 66 -0.409 -1.792 10.717 1.00 0.00 C ATOM 1009 C LEU A 66 0.455 -2.734 11.557 1.00 0.00 C ATOM 1010 O LEU A 66 1.629 -2.455 11.799 1.00 0.00 O ATOM 1011 CB LEU A 66 -0.527 -2.209 9.250 1.00 0.00 C ATOM 1012 CG LEU A 66 0.692 -1.922 8.371 1.00 0.00 C ATOM 1013 CD1 LEU A 66 0.603 -0.526 7.751 1.00 0.00 C ATOM 1014 CD2 LEU A 66 1.992 -2.120 9.154 1.00 0.00 C ATOM 0 H LEU A 66 0.258 0.030 9.929 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.421 -1.842 11.120 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.733 -3.279 9.212 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.390 -1.702 8.817 1.00 0.00 H new ATOM 0 HG LEU A 66 0.699 -2.640 7.550 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.481 -0.347 7.131 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.295 -0.457 7.137 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.559 0.222 8.543 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.843 -1.910 8.506 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.010 -1.442 10.007 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.051 -3.150 9.507 1.00 0.00 H new ATOM 1026 N PRO A 67 -0.173 -3.860 11.989 1.00 0.00 N ATOM 1027 CA PRO A 67 0.526 -4.845 12.796 1.00 0.00 C ATOM 1028 C PRO A 67 1.490 -5.671 11.941 1.00 0.00 C ATOM 1029 O PRO A 67 1.425 -6.899 11.936 1.00 0.00 O ATOM 1030 CB PRO A 67 -0.571 -5.684 13.432 1.00 0.00 C ATOM 1031 CG PRO A 67 -1.819 -5.438 12.598 1.00 0.00 C ATOM 1032 CD PRO A 67 -1.562 -4.224 11.721 1.00 0.00 C ATOM 0 HA PRO A 67 1.156 -4.391 13.561 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -0.304 -6.741 13.433 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -0.732 -5.395 14.471 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -2.047 -6.310 11.985 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -2.681 -5.268 13.243 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -1.714 -4.458 10.667 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -2.240 -3.407 11.967 1.00 0.00 H new ATOM 1040 N TYR A 68 2.362 -4.963 11.239 1.00 0.00 N ATOM 1041 CA TYR A 68 3.338 -5.614 10.383 1.00 0.00 C ATOM 1042 C TYR A 68 4.054 -6.743 11.126 1.00 0.00 C ATOM 1043 O TYR A 68 5.027 -6.501 11.841 1.00 0.00 O ATOM 1044 CB TYR A 68 4.359 -4.537 10.010 1.00 0.00 C ATOM 1045 CG TYR A 68 5.599 -5.075 9.295 1.00 0.00 C ATOM 1046 CD1 TYR A 68 5.475 -6.087 8.365 1.00 0.00 C ATOM 1047 CD2 TYR A 68 6.842 -4.548 9.579 1.00 0.00 C ATOM 1048 CE1 TYR A 68 6.642 -6.594 7.691 1.00 0.00 C ATOM 1049 CE2 TYR A 68 8.010 -5.055 8.905 1.00 0.00 C ATOM 1050 CZ TYR A 68 7.852 -6.053 7.995 1.00 0.00 C ATOM 1051 OH TYR A 68 8.955 -6.531 7.358 1.00 0.00 O ATOM 0 H TYR A 68 2.413 -3.944 11.246 1.00 0.00 H new ATOM 0 HA TYR A 68 2.851 -6.049 9.510 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.875 -3.799 9.370 1.00 0.00 H new ATOM 0 HB3 TYR A 68 4.671 -4.018 10.916 1.00 0.00 H new ATOM 0 HD1 TYR A 68 4.502 -6.499 8.143 1.00 0.00 H new ATOM 0 HD2 TYR A 68 6.939 -3.756 10.306 1.00 0.00 H new ATOM 0 HE1 TYR A 68 6.558 -7.386 6.961 1.00 0.00 H new ATOM 0 HE2 TYR A 68 8.989 -4.652 9.118 1.00 0.00 H new ATOM 0 HH TYR A 68 9.749 -6.051 7.674 1.00 0.00 H new ATOM 1061 N LYS A 69 3.546 -7.951 10.933 1.00 0.00 N ATOM 1062 CA LYS A 69 4.125 -9.118 11.578 1.00 0.00 C ATOM 1063 C LYS A 69 3.665 -10.380 10.846 1.00 0.00 C ATOM 1064 O LYS A 69 2.896 -10.301 9.889 1.00 0.00 O ATOM 1065 CB LYS A 69 3.801 -9.120 13.073 1.00 0.00 C ATOM 1066 CG LYS A 69 4.959 -8.539 13.886 1.00 0.00 C ATOM 1067 CD LYS A 69 4.483 -7.383 14.768 1.00 0.00 C ATOM 1068 CE LYS A 69 5.582 -6.944 15.738 1.00 0.00 C ATOM 1069 NZ LYS A 69 5.099 -5.848 16.607 1.00 0.00 N ATOM 0 H LYS A 69 2.740 -8.147 10.339 1.00 0.00 H new ATOM 0 HA LYS A 69 5.213 -9.090 11.512 1.00 0.00 H new ATOM 0 HB2 LYS A 69 2.897 -8.538 13.254 1.00 0.00 H new ATOM 0 HB3 LYS A 69 3.595 -10.138 13.403 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.399 -9.319 14.508 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.742 -8.189 13.213 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.188 -6.541 14.142 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.599 -7.688 15.328 1.00 0.00 H new ATOM 0 HE2 LYS A 69 5.894 -7.790 16.350 1.00 0.00 H new ATOM 0 HE3 LYS A 69 6.458 -6.614 15.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 5.857 -5.562 17.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 4.823 -5.035 16.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.277 -6.175 17.154 1.00 0.00 H new ATOM 1083 N ASN A 70 4.154 -11.514 11.324 1.00 0.00 N ATOM 1084 CA ASN A 70 3.802 -12.791 10.728 1.00 0.00 C ATOM 1085 C ASN A 70 4.023 -12.722 9.216 1.00 0.00 C ATOM 1086 O ASN A 70 3.163 -12.239 8.481 1.00 0.00 O ATOM 1087 CB ASN A 70 2.331 -13.129 10.976 1.00 0.00 C ATOM 1088 CG ASN A 70 2.099 -13.539 12.431 1.00 0.00 C ATOM 1089 OD1 ASN A 70 2.470 -12.846 13.365 1.00 0.00 O ATOM 1090 ND2 ASN A 70 1.468 -14.700 12.572 1.00 0.00 N ATOM 0 H ASN A 70 4.792 -11.575 12.118 1.00 0.00 H new ATOM 0 HA ASN A 70 4.429 -13.558 11.182 1.00 0.00 H new ATOM 0 HB2 ASN A 70 1.710 -12.266 10.735 1.00 0.00 H new ATOM 0 HB3 ASN A 70 2.024 -13.938 10.313 1.00 0.00 H new ATOM 0 HD21 ASN A 70 1.267 -15.061 13.504 1.00 0.00 H new ATOM 0 HD22 ASN A 70 1.185 -15.230 11.748 1.00 0.00 H new ATOM 1097 N GLY A 71 5.181 -13.210 8.796 1.00 0.00 N ATOM 1098 CA GLY A 71 5.526 -13.208 7.384 1.00 0.00 C ATOM 1099 C GLY A 71 7.028 -13.426 7.187 1.00 0.00 C ATOM 1100 O GLY A 71 7.736 -13.780 8.128 1.00 0.00 O ATOM 0 H GLY A 71 5.892 -13.609 9.408 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.970 -13.992 6.869 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.230 -12.260 6.935 1.00 0.00 H new TER 1104 GLY A 71 HETATM 1105 CA CA A 72 -3.648 6.151 -2.129 1.00 0.00 CA HETATM 1106 CA CA A 73 4.298 -4.618 0.769 1.00 0.00 CA