USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 804 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 31 MET CE :methyl 137:sc= -1.36 (180deg=-1.08) USER MOD Set 1.2: A 105 THR OG1 : rot -150:sc= -1.12 USER MOD Set 2.1: A 14 SER OG : rot 64:sc= 0.135 USER MOD Set 2.2: A 96 SER OG : rot -18:sc= 0.544 USER MOD Set 3.1: A 95 THR OG1 : rot 180:sc= 0.106 USER MOD Set 3.2: A 100 ASN : amide:sc= -0.726 K(o=-0.62,f=-6.6!) USER MOD Set 4.1: A 44 ASN :FLIP amide:sc= -0.377 F(o=-0.88,f=-0.15) USER MOD Set 4.2: A 57 THR OG1 : rot 133:sc= 0.224 USER MOD Single : A 1 MET CE :methyl -176:sc= 0 (180deg=-0.0103) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -134:sc= 0 (180deg=-0.344) USER MOD Single : A 7 SER OG : rot 180:sc= -0.757 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.0762 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 41:sc= 0.00227 USER MOD Single : A 27 MET CE :methyl -133:sc= -0.843 (180deg=-5.16!) USER MOD Single : A 32 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.0107) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 38 SER OG : rot 59:sc= 0.0503 USER MOD Single : A 39 SER OG : rot 48:sc= 0.162 USER MOD Single : A 59 GLN : amide:sc= -0.471 K(o=-0.47,f=-3.3!) USER MOD Single : A 63 ASN : amide:sc= -0.315 X(o=-0.31,f=-0.75) USER MOD Single : A 64 ASN : amide:sc= -0.141 K(o=-0.14,f=-2.2!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 24:sc= 0.0696 USER MOD Single : A 73 SER OG : rot -119:sc= -0.502! USER MOD Single : A 77 ASN : amide:sc= -0.494 X(o=-0.49,f=-0.044) USER MOD Single : A 83 ASN : amide:sc= -2.24! C(o=-2.2!,f=-5.4!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc=-0.00462 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 ASN : amide:sc= -0.215 K(o=-0.22,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.656 2.018 -4.210 1.00 0.00 N ATOM 2 CA MET A 1 7.895 0.910 -4.853 1.00 0.00 C ATOM 3 C MET A 1 6.632 0.619 -4.041 1.00 0.00 C ATOM 4 O MET A 1 6.637 -0.192 -3.137 1.00 0.00 O ATOM 5 CB MET A 1 8.766 -0.346 -4.904 1.00 0.00 C ATOM 6 CG MET A 1 9.725 -0.255 -6.093 1.00 0.00 C ATOM 7 SD MET A 1 9.499 -1.697 -7.164 1.00 0.00 S ATOM 8 CE MET A 1 10.348 -2.899 -6.112 1.00 0.00 C ATOM 0 H1 MET A 1 9.515 2.216 -4.762 1.00 0.00 H new ATOM 0 H2 MET A 1 8.063 2.872 -4.175 1.00 0.00 H new ATOM 0 H3 MET A 1 8.922 1.741 -3.244 1.00 0.00 H new ATOM 0 HA MET A 1 7.618 1.202 -5.866 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.329 -0.449 -3.976 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.139 -1.233 -4.996 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.539 0.661 -6.654 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.755 -0.209 -5.740 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.390 -3.862 -6.621 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.361 -2.552 -5.907 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.805 -3.008 -5.173 1.00 0.00 H new ATOM 20 N LYS A 2 5.548 1.274 -4.356 1.00 0.00 N ATOM 21 CA LYS A 2 4.284 1.033 -3.604 1.00 0.00 C ATOM 22 C LYS A 2 3.265 0.365 -4.530 1.00 0.00 C ATOM 23 O LYS A 2 3.208 0.647 -5.712 1.00 0.00 O ATOM 24 CB LYS A 2 3.730 2.367 -3.101 1.00 0.00 C ATOM 25 CG LYS A 2 4.885 3.236 -2.596 1.00 0.00 C ATOM 26 CD LYS A 2 4.468 3.946 -1.307 1.00 0.00 C ATOM 27 CE LYS A 2 5.715 4.371 -0.530 1.00 0.00 C ATOM 28 NZ LYS A 2 5.317 4.853 0.822 1.00 0.00 N ATOM 0 H LYS A 2 5.483 1.966 -5.102 1.00 0.00 H new ATOM 0 HA LYS A 2 4.480 0.381 -2.752 1.00 0.00 H new ATOM 0 HB2 LYS A 2 3.198 2.879 -3.903 1.00 0.00 H new ATOM 0 HB3 LYS A 2 3.011 2.196 -2.300 1.00 0.00 H new ATOM 0 HG2 LYS A 2 5.765 2.619 -2.415 1.00 0.00 H new ATOM 0 HG3 LYS A 2 5.160 3.969 -3.354 1.00 0.00 H new ATOM 0 HD2 LYS A 2 3.858 4.818 -1.541 1.00 0.00 H new ATOM 0 HD3 LYS A 2 3.855 3.283 -0.696 1.00 0.00 H new ATOM 0 HE2 LYS A 2 6.404 3.531 -0.440 1.00 0.00 H new ATOM 0 HE3 LYS A 2 6.241 5.159 -1.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 5.812 5.743 1.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 4.290 5.014 0.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 5.571 4.139 1.534 1.00 0.00 H new ATOM 42 N ILE A 3 2.466 -0.528 -4.008 1.00 0.00 N ATOM 43 CA ILE A 3 1.464 -1.218 -4.870 1.00 0.00 C ATOM 44 C ILE A 3 0.050 -0.989 -4.330 1.00 0.00 C ATOM 45 O ILE A 3 -0.346 -1.559 -3.332 1.00 0.00 O ATOM 46 CB ILE A 3 1.760 -2.720 -4.889 1.00 0.00 C ATOM 47 CG1 ILE A 3 3.038 -2.978 -5.692 1.00 0.00 C ATOM 48 CG2 ILE A 3 0.593 -3.464 -5.541 1.00 0.00 C ATOM 49 CD1 ILE A 3 3.985 -3.856 -4.875 1.00 0.00 C ATOM 0 H ILE A 3 2.464 -0.808 -3.027 1.00 0.00 H new ATOM 0 HA ILE A 3 1.528 -0.813 -5.880 1.00 0.00 H new ATOM 0 HB ILE A 3 1.892 -3.075 -3.867 1.00 0.00 H new ATOM 0 HG12 ILE A 3 2.795 -3.467 -6.635 1.00 0.00 H new ATOM 0 HG13 ILE A 3 3.522 -2.033 -5.938 1.00 0.00 H new ATOM 0 HG21 ILE A 3 0.805 -4.533 -5.554 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.318 -3.282 -4.972 1.00 0.00 H new ATOM 0 HG23 ILE A 3 0.460 -3.108 -6.563 1.00 0.00 H new ATOM 0 HD11 ILE A 3 4.895 -4.040 -5.447 1.00 0.00 H new ATOM 0 HD12 ILE A 3 4.238 -3.350 -3.943 1.00 0.00 H new ATOM 0 HD13 ILE A 3 3.499 -4.806 -4.652 1.00 0.00 H new ATOM 61 N ALA A 4 -0.720 -0.170 -4.994 1.00 0.00 N ATOM 62 CA ALA A 4 -2.115 0.084 -4.538 1.00 0.00 C ATOM 63 C ALA A 4 -3.079 -0.641 -5.480 1.00 0.00 C ATOM 64 O ALA A 4 -3.210 -0.290 -6.636 1.00 0.00 O ATOM 65 CB ALA A 4 -2.401 1.586 -4.572 1.00 0.00 C ATOM 0 H ALA A 4 -0.441 0.335 -5.835 1.00 0.00 H new ATOM 0 HA ALA A 4 -2.244 -0.281 -3.519 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -3.422 1.770 -4.238 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -1.705 2.104 -3.912 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -2.280 1.956 -5.590 1.00 0.00 H new ATOM 71 N ILE A 5 -3.744 -1.656 -5.003 1.00 0.00 N ATOM 72 CA ILE A 5 -4.685 -2.405 -5.882 1.00 0.00 C ATOM 73 C ILE A 5 -6.121 -1.958 -5.606 1.00 0.00 C ATOM 74 O ILE A 5 -6.552 -1.885 -4.472 1.00 0.00 O ATOM 75 CB ILE A 5 -4.561 -3.904 -5.600 1.00 0.00 C ATOM 76 CG1 ILE A 5 -3.095 -4.252 -5.324 1.00 0.00 C ATOM 77 CG2 ILE A 5 -5.051 -4.693 -6.815 1.00 0.00 C ATOM 78 CD1 ILE A 5 -2.927 -4.620 -3.849 1.00 0.00 C ATOM 0 H ILE A 5 -3.677 -1.999 -4.045 1.00 0.00 H new ATOM 0 HA ILE A 5 -4.438 -2.204 -6.924 1.00 0.00 H new ATOM 0 HB ILE A 5 -5.166 -4.161 -4.731 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -2.783 -5.084 -5.955 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -2.456 -3.405 -5.574 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -4.963 -5.761 -6.615 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -6.094 -4.446 -7.013 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.446 -4.436 -7.684 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.884 -4.868 -3.652 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.223 -3.775 -3.227 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -3.554 -5.480 -3.615 1.00 0.00 H new ATOM 90 N ALA A 6 -6.868 -1.664 -6.636 1.00 0.00 N ATOM 91 CA ALA A 6 -8.279 -1.232 -6.431 1.00 0.00 C ATOM 92 C ALA A 6 -9.066 -2.378 -5.797 1.00 0.00 C ATOM 93 O ALA A 6 -8.901 -3.528 -6.152 1.00 0.00 O ATOM 94 CB ALA A 6 -8.902 -0.868 -7.781 1.00 0.00 C ATOM 0 H ALA A 6 -6.562 -1.704 -7.608 1.00 0.00 H new ATOM 0 HA ALA A 6 -8.306 -0.362 -5.775 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.934 -0.552 -7.632 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.336 -0.055 -8.236 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.880 -1.737 -8.438 1.00 0.00 H new ATOM 100 N SER A 7 -9.920 -2.079 -4.856 1.00 0.00 N ATOM 101 CA SER A 7 -10.708 -3.159 -4.202 1.00 0.00 C ATOM 102 C SER A 7 -12.199 -2.823 -4.266 1.00 0.00 C ATOM 103 O SER A 7 -12.587 -1.747 -4.676 1.00 0.00 O ATOM 104 CB SER A 7 -10.278 -3.288 -2.741 1.00 0.00 C ATOM 105 OG SER A 7 -10.868 -4.452 -2.178 1.00 0.00 O ATOM 0 H SER A 7 -10.105 -1.136 -4.514 1.00 0.00 H new ATOM 0 HA SER A 7 -10.529 -4.101 -4.721 1.00 0.00 H new ATOM 0 HB2 SER A 7 -9.192 -3.348 -2.674 1.00 0.00 H new ATOM 0 HB3 SER A 7 -10.584 -2.404 -2.181 1.00 0.00 H new ATOM 0 HG SER A 7 -10.592 -4.538 -1.241 1.00 0.00 H new ATOM 111 N SER A 8 -13.036 -3.738 -3.860 1.00 0.00 N ATOM 112 CA SER A 8 -14.502 -3.477 -3.893 1.00 0.00 C ATOM 113 C SER A 8 -15.077 -3.644 -2.483 1.00 0.00 C ATOM 114 O SER A 8 -16.015 -2.974 -2.101 1.00 0.00 O ATOM 115 CB SER A 8 -15.172 -4.468 -4.850 1.00 0.00 C ATOM 116 OG SER A 8 -16.278 -5.087 -4.202 1.00 0.00 O ATOM 0 H SER A 8 -12.767 -4.656 -3.506 1.00 0.00 H new ATOM 0 HA SER A 8 -14.689 -2.461 -4.240 1.00 0.00 H new ATOM 0 HB2 SER A 8 -15.508 -3.950 -5.749 1.00 0.00 H new ATOM 0 HB3 SER A 8 -14.454 -5.224 -5.167 1.00 0.00 H new ATOM 0 HG SER A 8 -16.706 -5.719 -4.817 1.00 0.00 H new ATOM 122 N GLY A 9 -14.518 -4.533 -1.707 1.00 0.00 N ATOM 123 CA GLY A 9 -15.028 -4.742 -0.323 1.00 0.00 C ATOM 124 C GLY A 9 -13.961 -4.312 0.685 1.00 0.00 C ATOM 125 O GLY A 9 -13.992 -3.214 1.204 1.00 0.00 O ATOM 0 H GLY A 9 -13.730 -5.123 -1.973 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -15.941 -4.166 -0.170 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -15.283 -5.791 -0.173 1.00 0.00 H new ATOM 129 N THR A 10 -13.017 -5.168 0.966 1.00 0.00 N ATOM 130 CA THR A 10 -11.949 -4.806 1.940 1.00 0.00 C ATOM 131 C THR A 10 -10.839 -5.860 1.900 1.00 0.00 C ATOM 132 O THR A 10 -9.706 -5.568 1.573 1.00 0.00 O ATOM 133 CB THR A 10 -12.542 -4.749 3.350 1.00 0.00 C ATOM 134 OG1 THR A 10 -13.760 -5.479 3.378 1.00 0.00 O ATOM 135 CG2 THR A 10 -12.809 -3.293 3.734 1.00 0.00 C ATOM 0 H THR A 10 -12.939 -6.102 0.563 1.00 0.00 H new ATOM 0 HA THR A 10 -11.536 -3.832 1.677 1.00 0.00 H new ATOM 0 HB THR A 10 -11.839 -5.186 4.059 1.00 0.00 H new ATOM 0 HG1 THR A 10 -14.141 -5.445 4.280 1.00 0.00 H new ATOM 0 HG21 THR A 10 -13.231 -3.253 4.738 1.00 0.00 H new ATOM 0 HG22 THR A 10 -11.874 -2.733 3.711 1.00 0.00 H new ATOM 0 HG23 THR A 10 -13.512 -2.853 3.027 1.00 0.00 H new ATOM 143 N ASP A 11 -11.155 -7.082 2.231 1.00 0.00 N ATOM 144 CA ASP A 11 -10.117 -8.151 2.214 1.00 0.00 C ATOM 145 C ASP A 11 -10.751 -9.474 1.781 1.00 0.00 C ATOM 146 O ASP A 11 -10.310 -10.108 0.843 1.00 0.00 O ATOM 147 CB ASP A 11 -9.523 -8.305 3.616 1.00 0.00 C ATOM 148 CG ASP A 11 -8.402 -7.283 3.812 1.00 0.00 C ATOM 149 OD1 ASP A 11 -7.500 -7.256 2.990 1.00 0.00 O ATOM 150 OD2 ASP A 11 -8.464 -6.544 4.781 1.00 0.00 O ATOM 0 H ASP A 11 -12.087 -7.386 2.512 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.329 -7.880 1.511 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -10.298 -8.159 4.369 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -9.136 -9.315 3.749 1.00 0.00 H new ATOM 155 N LEU A 12 -11.781 -9.898 2.459 1.00 0.00 N ATOM 156 CA LEU A 12 -12.441 -11.182 2.088 1.00 0.00 C ATOM 157 C LEU A 12 -13.292 -10.979 0.834 1.00 0.00 C ATOM 158 O LEU A 12 -13.355 -11.830 -0.029 1.00 0.00 O ATOM 159 CB LEU A 12 -13.336 -11.645 3.239 1.00 0.00 C ATOM 160 CG LEU A 12 -12.477 -11.930 4.471 1.00 0.00 C ATOM 161 CD1 LEU A 12 -12.919 -11.025 5.622 1.00 0.00 C ATOM 162 CD2 LEU A 12 -12.648 -13.395 4.880 1.00 0.00 C ATOM 0 H LEU A 12 -12.195 -9.411 3.254 1.00 0.00 H new ATOM 0 HA LEU A 12 -11.679 -11.936 1.890 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -14.077 -10.879 3.468 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -13.884 -12.542 2.949 1.00 0.00 H new ATOM 0 HG LEU A 12 -11.430 -11.735 4.238 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -12.307 -11.228 6.500 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.800 -9.981 5.330 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -13.966 -11.219 5.857 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -12.037 -13.601 5.758 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -13.695 -13.588 5.113 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -12.334 -14.041 4.060 1.00 0.00 H new ATOM 174 N GLY A 13 -13.951 -9.858 0.729 1.00 0.00 N ATOM 175 CA GLY A 13 -14.801 -9.606 -0.469 1.00 0.00 C ATOM 176 C GLY A 13 -14.055 -8.697 -1.449 1.00 0.00 C ATOM 177 O GLY A 13 -14.644 -8.110 -2.334 1.00 0.00 O ATOM 0 H GLY A 13 -13.938 -9.107 1.419 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -15.053 -10.550 -0.953 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -15.740 -9.141 -0.169 1.00 0.00 H new ATOM 181 N SER A 14 -12.764 -8.575 -1.298 1.00 0.00 N ATOM 182 CA SER A 14 -11.985 -7.702 -2.221 1.00 0.00 C ATOM 183 C SER A 14 -11.779 -8.417 -3.559 1.00 0.00 C ATOM 184 O SER A 14 -10.720 -8.948 -3.832 1.00 0.00 O ATOM 185 CB SER A 14 -10.626 -7.387 -1.597 1.00 0.00 C ATOM 186 OG SER A 14 -9.852 -8.578 -1.533 1.00 0.00 O ATOM 0 H SER A 14 -12.216 -9.042 -0.576 1.00 0.00 H new ATOM 0 HA SER A 14 -12.533 -6.775 -2.389 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.107 -6.633 -2.189 1.00 0.00 H new ATOM 0 HB3 SER A 14 -10.759 -6.972 -0.598 1.00 0.00 H new ATOM 0 HG SER A 14 -9.667 -8.897 -2.441 1.00 0.00 H new ATOM 192 N GLU A 15 -12.780 -8.433 -4.396 1.00 0.00 N ATOM 193 CA GLU A 15 -12.635 -9.111 -5.716 1.00 0.00 C ATOM 194 C GLU A 15 -11.829 -8.216 -6.662 1.00 0.00 C ATOM 195 O GLU A 15 -11.581 -8.566 -7.799 1.00 0.00 O ATOM 196 CB GLU A 15 -14.021 -9.368 -6.313 1.00 0.00 C ATOM 197 CG GLU A 15 -13.926 -10.478 -7.363 1.00 0.00 C ATOM 198 CD GLU A 15 -15.302 -10.708 -7.989 1.00 0.00 C ATOM 199 OE1 GLU A 15 -16.285 -10.356 -7.360 1.00 0.00 O ATOM 200 OE2 GLU A 15 -15.349 -11.233 -9.090 1.00 0.00 O ATOM 0 H GLU A 15 -13.691 -8.007 -4.224 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.116 -10.060 -5.583 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -14.720 -9.655 -5.527 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -14.408 -8.456 -6.767 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.206 -10.203 -8.134 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -13.566 -11.398 -6.903 1.00 0.00 H new ATOM 207 N VAL A 16 -11.420 -7.063 -6.203 1.00 0.00 N ATOM 208 CA VAL A 16 -10.632 -6.149 -7.076 1.00 0.00 C ATOM 209 C VAL A 16 -11.554 -5.511 -8.118 1.00 0.00 C ATOM 210 O VAL A 16 -11.534 -5.865 -9.280 1.00 0.00 O ATOM 211 CB VAL A 16 -9.535 -6.942 -7.788 1.00 0.00 C ATOM 212 CG1 VAL A 16 -8.436 -5.986 -8.258 1.00 0.00 C ATOM 213 CG2 VAL A 16 -8.939 -7.968 -6.821 1.00 0.00 C ATOM 0 H VAL A 16 -11.598 -6.716 -5.261 1.00 0.00 H new ATOM 0 HA VAL A 16 -10.180 -5.368 -6.465 1.00 0.00 H new ATOM 0 HB VAL A 16 -9.960 -7.457 -8.649 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.654 -6.551 -8.765 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.860 -5.255 -8.946 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -8.010 -5.470 -7.397 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -8.157 -8.534 -7.327 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -8.514 -7.452 -5.960 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.721 -8.650 -6.486 1.00 0.00 H new ATOM 223 N SER A 17 -12.363 -4.569 -7.712 1.00 0.00 N ATOM 224 CA SER A 17 -13.283 -3.911 -8.683 1.00 0.00 C ATOM 225 C SER A 17 -12.503 -3.540 -9.947 1.00 0.00 C ATOM 226 O SER A 17 -11.313 -3.300 -9.906 1.00 0.00 O ATOM 227 CB SER A 17 -13.868 -2.646 -8.055 1.00 0.00 C ATOM 228 OG SER A 17 -15.050 -2.278 -8.754 1.00 0.00 O ATOM 0 H SER A 17 -12.426 -4.228 -6.753 1.00 0.00 H new ATOM 0 HA SER A 17 -14.092 -4.595 -8.940 1.00 0.00 H new ATOM 0 HB2 SER A 17 -14.093 -2.819 -7.003 1.00 0.00 H new ATOM 0 HB3 SER A 17 -13.140 -1.836 -8.096 1.00 0.00 H new ATOM 0 HG SER A 17 -15.429 -1.468 -8.353 1.00 0.00 H new ATOM 234 N ARG A 18 -13.164 -3.493 -11.071 1.00 0.00 N ATOM 235 CA ARG A 18 -12.458 -3.141 -12.335 1.00 0.00 C ATOM 236 C ARG A 18 -12.811 -1.707 -12.739 1.00 0.00 C ATOM 237 O ARG A 18 -12.865 -1.378 -13.908 1.00 0.00 O ATOM 238 CB ARG A 18 -12.891 -4.102 -13.445 1.00 0.00 C ATOM 239 CG ARG A 18 -14.334 -3.795 -13.851 1.00 0.00 C ATOM 240 CD ARG A 18 -15.082 -5.105 -14.103 1.00 0.00 C ATOM 241 NE ARG A 18 -14.534 -5.764 -15.321 1.00 0.00 N ATOM 242 CZ ARG A 18 -14.393 -7.060 -15.353 1.00 0.00 C ATOM 243 NH1 ARG A 18 -15.117 -7.813 -14.573 1.00 0.00 N ATOM 244 NH2 ARG A 18 -13.528 -7.603 -16.167 1.00 0.00 N ATOM 0 H ARG A 18 -14.161 -3.683 -11.169 1.00 0.00 H new ATOM 0 HA ARG A 18 -11.382 -3.220 -12.182 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -12.230 -4.001 -14.306 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -12.810 -5.133 -13.100 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -14.831 -3.225 -13.066 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -14.347 -3.178 -14.749 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -14.980 -5.766 -13.242 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -16.147 -4.909 -14.230 1.00 0.00 H new ATOM 0 HE ARG A 18 -14.269 -5.202 -16.130 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -15.793 -7.388 -13.938 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -15.007 -8.827 -14.597 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -12.963 -7.013 -16.778 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -13.418 -8.617 -16.192 1.00 0.00 H new ATOM 258 N PHE A 19 -13.053 -0.852 -11.784 1.00 0.00 N ATOM 259 CA PHE A 19 -13.403 0.557 -12.119 1.00 0.00 C ATOM 260 C PHE A 19 -12.360 1.499 -11.518 1.00 0.00 C ATOM 261 O PHE A 19 -12.218 1.600 -10.315 1.00 0.00 O ATOM 262 CB PHE A 19 -14.782 0.888 -11.547 1.00 0.00 C ATOM 263 CG PHE A 19 -15.841 0.133 -12.315 1.00 0.00 C ATOM 264 CD1 PHE A 19 -16.011 -1.241 -12.106 1.00 0.00 C ATOM 265 CD2 PHE A 19 -16.653 0.809 -13.235 1.00 0.00 C ATOM 266 CE1 PHE A 19 -16.994 -1.942 -12.819 1.00 0.00 C ATOM 267 CE2 PHE A 19 -17.636 0.108 -13.948 1.00 0.00 C ATOM 268 CZ PHE A 19 -17.806 -1.267 -13.740 1.00 0.00 C ATOM 0 H PHE A 19 -13.024 -1.068 -10.787 1.00 0.00 H new ATOM 0 HA PHE A 19 -13.420 0.680 -13.202 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -14.823 0.620 -10.491 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -14.966 1.960 -11.611 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -15.385 -1.761 -11.396 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -16.522 1.869 -13.395 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -17.125 -3.002 -12.658 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -18.262 0.628 -14.658 1.00 0.00 H new ATOM 0 HZ PHE A 19 -18.563 -1.807 -14.290 1.00 0.00 H new ATOM 278 N PHE A 20 -11.629 2.195 -12.347 1.00 0.00 N ATOM 279 CA PHE A 20 -10.598 3.132 -11.823 1.00 0.00 C ATOM 280 C PHE A 20 -11.217 4.521 -11.648 1.00 0.00 C ATOM 281 O PHE A 20 -11.020 5.406 -12.457 1.00 0.00 O ATOM 282 CB PHE A 20 -9.431 3.213 -12.810 1.00 0.00 C ATOM 283 CG PHE A 20 -8.343 4.085 -12.231 1.00 0.00 C ATOM 284 CD1 PHE A 20 -7.870 3.844 -10.934 1.00 0.00 C ATOM 285 CD2 PHE A 20 -7.810 5.136 -12.987 1.00 0.00 C ATOM 286 CE1 PHE A 20 -6.861 4.652 -10.395 1.00 0.00 C ATOM 287 CE2 PHE A 20 -6.801 5.945 -12.448 1.00 0.00 C ATOM 288 CZ PHE A 20 -6.327 5.703 -11.152 1.00 0.00 C ATOM 0 H PHE A 20 -11.702 2.154 -13.364 1.00 0.00 H new ATOM 0 HA PHE A 20 -10.233 2.771 -10.861 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -9.043 2.215 -13.013 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -9.772 3.622 -13.761 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -8.284 3.035 -10.350 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -8.177 5.323 -13.986 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -6.495 4.465 -9.396 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.389 6.755 -13.031 1.00 0.00 H new ATOM 0 HZ PHE A 20 -5.550 6.327 -10.736 1.00 0.00 H new ATOM 298 N GLY A 21 -11.968 4.715 -10.598 1.00 0.00 N ATOM 299 CA GLY A 21 -12.603 6.043 -10.370 1.00 0.00 C ATOM 300 C GLY A 21 -13.875 5.860 -9.538 1.00 0.00 C ATOM 301 O GLY A 21 -14.355 6.781 -8.908 1.00 0.00 O ATOM 0 H GLY A 21 -12.169 4.010 -9.888 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -11.909 6.707 -9.854 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -12.843 6.513 -11.324 1.00 0.00 H new ATOM 305 N ARG A 22 -14.420 4.675 -9.530 1.00 0.00 N ATOM 306 CA ARG A 22 -15.658 4.430 -8.738 1.00 0.00 C ATOM 307 C ARG A 22 -15.330 3.512 -7.559 1.00 0.00 C ATOM 308 O ARG A 22 -15.813 3.701 -6.461 1.00 0.00 O ATOM 309 CB ARG A 22 -16.709 3.761 -9.627 1.00 0.00 C ATOM 310 CG ARG A 22 -18.066 4.436 -9.411 1.00 0.00 C ATOM 311 CD ARG A 22 -19.147 3.662 -10.166 1.00 0.00 C ATOM 312 NE ARG A 22 -19.133 4.063 -11.601 1.00 0.00 N ATOM 313 CZ ARG A 22 -19.178 5.327 -11.926 1.00 0.00 C ATOM 314 NH1 ARG A 22 -20.305 5.980 -11.850 1.00 0.00 N ATOM 315 NH2 ARG A 22 -18.096 5.936 -12.327 1.00 0.00 N ATOM 0 H ARG A 22 -14.062 3.866 -10.037 1.00 0.00 H new ATOM 0 HA ARG A 22 -16.048 5.378 -8.367 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -16.416 3.836 -10.674 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -16.778 2.699 -9.391 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -18.303 4.468 -8.348 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -18.031 5.468 -9.761 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -18.973 2.590 -10.075 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -20.126 3.864 -9.730 1.00 0.00 H new ATOM 0 HE ARG A 22 -19.088 3.350 -12.329 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -21.151 5.503 -11.537 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -20.340 6.967 -12.104 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -17.215 5.425 -12.387 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -18.131 6.923 -12.581 1.00 0.00 H new ATOM 329 N ALA A 23 -14.508 2.520 -7.783 1.00 0.00 N ATOM 330 CA ALA A 23 -14.142 1.584 -6.681 1.00 0.00 C ATOM 331 C ALA A 23 -13.901 2.376 -5.391 1.00 0.00 C ATOM 332 O ALA A 23 -12.858 2.979 -5.226 1.00 0.00 O ATOM 333 CB ALA A 23 -12.864 0.834 -7.061 1.00 0.00 C ATOM 0 H ALA A 23 -14.074 2.318 -8.684 1.00 0.00 H new ATOM 0 HA ALA A 23 -14.954 0.874 -6.523 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -12.592 0.148 -6.258 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -13.032 0.270 -7.979 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -12.056 1.548 -7.217 1.00 0.00 H new ATOM 339 N PRO A 24 -14.875 2.354 -4.513 1.00 0.00 N ATOM 340 CA PRO A 24 -14.798 3.066 -3.223 1.00 0.00 C ATOM 341 C PRO A 24 -13.976 2.265 -2.204 1.00 0.00 C ATOM 342 O PRO A 24 -14.325 2.184 -1.043 1.00 0.00 O ATOM 343 CB PRO A 24 -16.261 3.156 -2.780 1.00 0.00 C ATOM 344 CG PRO A 24 -17.012 2.021 -3.517 1.00 0.00 C ATOM 345 CD PRO A 24 -16.143 1.626 -4.724 1.00 0.00 C ATOM 0 HA PRO A 24 -14.313 4.039 -3.304 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -16.347 3.041 -1.700 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -16.684 4.129 -3.032 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -17.168 1.168 -2.857 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -17.997 2.356 -3.842 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -15.982 0.549 -4.763 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -16.614 1.912 -5.664 1.00 0.00 H new ATOM 353 N TYR A 25 -12.889 1.674 -2.622 1.00 0.00 N ATOM 354 CA TYR A 25 -12.058 0.886 -1.669 1.00 0.00 C ATOM 355 C TYR A 25 -10.650 0.718 -2.240 1.00 0.00 C ATOM 356 O TYR A 25 -10.258 -0.358 -2.647 1.00 0.00 O ATOM 357 CB TYR A 25 -12.693 -0.489 -1.455 1.00 0.00 C ATOM 358 CG TYR A 25 -13.411 -0.504 -0.127 1.00 0.00 C ATOM 359 CD1 TYR A 25 -12.770 -0.017 1.019 1.00 0.00 C ATOM 360 CD2 TYR A 25 -14.718 -1.002 -0.042 1.00 0.00 C ATOM 361 CE1 TYR A 25 -13.435 -0.026 2.252 1.00 0.00 C ATOM 362 CE2 TYR A 25 -15.384 -1.012 1.192 1.00 0.00 C ATOM 363 CZ TYR A 25 -14.742 -0.524 2.338 1.00 0.00 C ATOM 364 OH TYR A 25 -15.399 -0.534 3.552 1.00 0.00 O ATOM 0 H TYR A 25 -12.542 1.703 -3.581 1.00 0.00 H new ATOM 0 HA TYR A 25 -12.001 1.410 -0.715 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -13.392 -0.710 -2.262 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -11.927 -1.264 -1.476 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -11.762 0.366 0.952 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -15.212 -1.378 -0.926 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -12.941 0.351 3.135 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -16.391 -1.396 1.259 1.00 0.00 H new ATOM 0 HH TYR A 25 -15.211 0.299 4.033 1.00 0.00 H new ATOM 374 N PHE A 26 -9.886 1.774 -2.274 1.00 0.00 N ATOM 375 CA PHE A 26 -8.503 1.677 -2.820 1.00 0.00 C ATOM 376 C PHE A 26 -7.576 1.076 -1.762 1.00 0.00 C ATOM 377 O PHE A 26 -7.371 1.644 -0.707 1.00 0.00 O ATOM 378 CB PHE A 26 -8.008 3.075 -3.196 1.00 0.00 C ATOM 379 CG PHE A 26 -7.417 3.045 -4.584 1.00 0.00 C ATOM 380 CD1 PHE A 26 -8.203 2.641 -5.672 1.00 0.00 C ATOM 381 CD2 PHE A 26 -6.082 3.419 -4.784 1.00 0.00 C ATOM 382 CE1 PHE A 26 -7.653 2.613 -6.961 1.00 0.00 C ATOM 383 CE2 PHE A 26 -5.533 3.391 -6.072 1.00 0.00 C ATOM 384 CZ PHE A 26 -6.318 2.987 -7.161 1.00 0.00 C ATOM 0 H PHE A 26 -10.159 2.701 -1.947 1.00 0.00 H new ATOM 0 HA PHE A 26 -8.505 1.039 -3.704 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.832 3.787 -3.156 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -7.260 3.413 -2.478 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -9.232 2.351 -5.517 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -5.476 3.729 -3.945 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -8.258 2.303 -7.800 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.504 3.681 -6.226 1.00 0.00 H new ATOM 0 HZ PHE A 26 -5.894 2.964 -8.154 1.00 0.00 H new ATOM 394 N MET A 27 -7.011 -0.070 -2.035 1.00 0.00 N ATOM 395 CA MET A 27 -6.097 -0.705 -1.044 1.00 0.00 C ATOM 396 C MET A 27 -4.651 -0.339 -1.383 1.00 0.00 C ATOM 397 O MET A 27 -4.069 -0.866 -2.311 1.00 0.00 O ATOM 398 CB MET A 27 -6.263 -2.224 -1.093 1.00 0.00 C ATOM 399 CG MET A 27 -5.238 -2.881 -0.167 1.00 0.00 C ATOM 400 SD MET A 27 -5.693 -4.610 0.108 1.00 0.00 S ATOM 401 CE MET A 27 -5.851 -4.519 1.909 1.00 0.00 C ATOM 0 H MET A 27 -7.143 -0.593 -2.901 1.00 0.00 H new ATOM 0 HA MET A 27 -6.340 -0.348 -0.043 1.00 0.00 H new ATOM 0 HB2 MET A 27 -7.273 -2.500 -0.789 1.00 0.00 H new ATOM 0 HB3 MET A 27 -6.129 -2.582 -2.114 1.00 0.00 H new ATOM 0 HG2 MET A 27 -4.243 -2.822 -0.608 1.00 0.00 H new ATOM 0 HG3 MET A 27 -5.197 -2.349 0.784 1.00 0.00 H new ATOM 0 HE1 MET A 27 -5.327 -5.360 2.363 1.00 0.00 H new ATOM 0 HE2 MET A 27 -5.417 -3.585 2.266 1.00 0.00 H new ATOM 0 HE3 MET A 27 -6.905 -4.557 2.184 1.00 0.00 H new ATOM 411 N ILE A 28 -4.067 0.561 -0.641 1.00 0.00 N ATOM 412 CA ILE A 28 -2.660 0.962 -0.925 1.00 0.00 C ATOM 413 C ILE A 28 -1.716 0.258 0.051 1.00 0.00 C ATOM 414 O ILE A 28 -1.879 0.335 1.253 1.00 0.00 O ATOM 415 CB ILE A 28 -2.523 2.477 -0.768 1.00 0.00 C ATOM 416 CG1 ILE A 28 -3.608 3.172 -1.594 1.00 0.00 C ATOM 417 CG2 ILE A 28 -1.144 2.920 -1.264 1.00 0.00 C ATOM 418 CD1 ILE A 28 -3.432 4.689 -1.496 1.00 0.00 C ATOM 0 H ILE A 28 -4.503 1.036 0.149 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.400 0.676 -1.944 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.634 2.746 0.282 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.546 2.855 -2.635 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.595 2.886 -1.231 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.047 4.000 -1.152 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -0.370 2.423 -0.679 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.032 2.653 -2.315 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -4.205 5.184 -2.084 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.515 4.998 -0.454 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.450 4.967 -1.880 1.00 0.00 H new ATOM 430 N VAL A 29 -0.727 -0.427 -0.457 1.00 0.00 N ATOM 431 CA VAL A 29 0.229 -1.132 0.441 1.00 0.00 C ATOM 432 C VAL A 29 1.653 -0.663 0.134 1.00 0.00 C ATOM 433 O VAL A 29 2.154 -0.840 -0.959 1.00 0.00 O ATOM 434 CB VAL A 29 0.128 -2.642 0.212 1.00 0.00 C ATOM 435 CG1 VAL A 29 1.190 -3.356 1.050 1.00 0.00 C ATOM 436 CG2 VAL A 29 -1.261 -3.127 0.630 1.00 0.00 C ATOM 0 H VAL A 29 -0.541 -0.528 -1.455 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.013 -0.907 1.480 1.00 0.00 H new ATOM 0 HB VAL A 29 0.289 -2.862 -0.843 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.119 -4.432 0.888 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.180 -3.009 0.755 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.029 -3.137 2.105 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.335 -4.202 0.468 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.421 -2.908 1.686 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.019 -2.617 0.035 1.00 0.00 H new ATOM 446 N GLU A 30 2.307 -0.059 1.088 1.00 0.00 N ATOM 447 CA GLU A 30 3.695 0.426 0.850 1.00 0.00 C ATOM 448 C GLU A 30 4.685 -0.721 1.069 1.00 0.00 C ATOM 449 O GLU A 30 4.820 -1.236 2.162 1.00 0.00 O ATOM 450 CB GLU A 30 4.012 1.566 1.820 1.00 0.00 C ATOM 451 CG GLU A 30 2.846 2.557 1.842 1.00 0.00 C ATOM 452 CD GLU A 30 2.883 3.361 3.143 1.00 0.00 C ATOM 453 OE1 GLU A 30 3.949 3.846 3.486 1.00 0.00 O ATOM 454 OE2 GLU A 30 1.846 3.479 3.774 1.00 0.00 O ATOM 0 H GLU A 30 1.939 0.119 2.023 1.00 0.00 H new ATOM 0 HA GLU A 30 3.780 0.787 -0.175 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.185 1.169 2.820 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.928 2.073 1.516 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.909 3.228 0.986 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.899 2.023 1.759 1.00 0.00 H new ATOM 461 N MET A 31 5.379 -1.124 0.040 1.00 0.00 N ATOM 462 CA MET A 31 6.360 -2.234 0.189 1.00 0.00 C ATOM 463 C MET A 31 7.761 -1.654 0.392 1.00 0.00 C ATOM 464 O MET A 31 8.145 -0.697 -0.250 1.00 0.00 O ATOM 465 CB MET A 31 6.345 -3.103 -1.071 1.00 0.00 C ATOM 466 CG MET A 31 5.578 -4.396 -0.790 1.00 0.00 C ATOM 467 SD MET A 31 6.336 -5.758 -1.710 1.00 0.00 S ATOM 468 CE MET A 31 4.802 -6.516 -2.298 1.00 0.00 C ATOM 0 H MET A 31 5.308 -0.731 -0.899 1.00 0.00 H new ATOM 0 HA MET A 31 6.090 -2.842 1.052 1.00 0.00 H new ATOM 0 HB2 MET A 31 5.877 -2.562 -1.893 1.00 0.00 H new ATOM 0 HB3 MET A 31 7.365 -3.332 -1.380 1.00 0.00 H new ATOM 0 HG2 MET A 31 5.589 -4.614 0.278 1.00 0.00 H new ATOM 0 HG3 MET A 31 4.534 -4.283 -1.081 1.00 0.00 H new ATOM 0 HE1 MET A 31 4.914 -6.798 -3.345 1.00 0.00 H new ATOM 0 HE2 MET A 31 4.584 -7.404 -1.704 1.00 0.00 H new ATOM 0 HE3 MET A 31 3.983 -5.803 -2.200 1.00 0.00 H new ATOM 478 N LYS A 32 8.528 -2.227 1.278 1.00 0.00 N ATOM 479 CA LYS A 32 9.904 -1.710 1.521 1.00 0.00 C ATOM 480 C LYS A 32 10.905 -2.535 0.711 1.00 0.00 C ATOM 481 O LYS A 32 11.581 -2.028 -0.162 1.00 0.00 O ATOM 482 CB LYS A 32 10.235 -1.827 3.011 1.00 0.00 C ATOM 483 CG LYS A 32 11.548 -1.101 3.304 1.00 0.00 C ATOM 484 CD LYS A 32 11.270 0.127 4.173 1.00 0.00 C ATOM 485 CE LYS A 32 12.381 1.157 3.971 1.00 0.00 C ATOM 486 NZ LYS A 32 12.120 1.932 2.726 1.00 0.00 N ATOM 0 H LYS A 32 8.261 -3.032 1.845 1.00 0.00 H new ATOM 0 HA LYS A 32 9.961 -0.665 1.216 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.430 -1.398 3.607 1.00 0.00 H new ATOM 0 HB3 LYS A 32 10.317 -2.876 3.294 1.00 0.00 H new ATOM 0 HG2 LYS A 32 12.240 -1.771 3.814 1.00 0.00 H new ATOM 0 HG3 LYS A 32 12.025 -0.799 2.371 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.305 0.561 3.910 1.00 0.00 H new ATOM 0 HD3 LYS A 32 11.214 -0.162 5.222 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.428 1.830 4.827 1.00 0.00 H new ATOM 0 HE3 LYS A 32 13.347 0.657 3.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 13.015 2.321 2.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.701 1.306 2.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 11.462 2.711 2.933 1.00 0.00 H new ATOM 500 N LYS A 33 11.001 -3.805 0.990 1.00 0.00 N ATOM 501 CA LYS A 33 11.952 -4.668 0.235 1.00 0.00 C ATOM 502 C LYS A 33 11.291 -6.019 -0.044 1.00 0.00 C ATOM 503 O LYS A 33 11.401 -6.946 0.734 1.00 0.00 O ATOM 504 CB LYS A 33 13.218 -4.882 1.066 1.00 0.00 C ATOM 505 CG LYS A 33 14.394 -4.165 0.402 1.00 0.00 C ATOM 506 CD LYS A 33 14.679 -2.857 1.143 1.00 0.00 C ATOM 507 CE LYS A 33 16.183 -2.727 1.392 1.00 0.00 C ATOM 508 NZ LYS A 33 16.413 -2.009 2.678 1.00 0.00 N ATOM 0 H LYS A 33 10.460 -4.284 1.710 1.00 0.00 H new ATOM 0 HA LYS A 33 12.215 -4.186 -0.707 1.00 0.00 H new ATOM 0 HB2 LYS A 33 13.071 -4.501 2.077 1.00 0.00 H new ATOM 0 HB3 LYS A 33 13.431 -5.947 1.155 1.00 0.00 H new ATOM 0 HG2 LYS A 33 15.278 -4.803 0.416 1.00 0.00 H new ATOM 0 HG3 LYS A 33 14.165 -3.960 -0.644 1.00 0.00 H new ATOM 0 HD2 LYS A 33 14.322 -2.010 0.557 1.00 0.00 H new ATOM 0 HD3 LYS A 33 14.140 -2.839 2.090 1.00 0.00 H new ATOM 0 HE2 LYS A 33 16.643 -3.714 1.427 1.00 0.00 H new ATOM 0 HE3 LYS A 33 16.653 -2.185 0.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 17.435 -1.920 2.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 15.987 -1.062 2.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 15.978 -2.544 3.457 1.00 0.00 H new ATOM 522 N GLY A 34 10.602 -6.138 -1.146 1.00 0.00 N ATOM 523 CA GLY A 34 9.932 -7.430 -1.465 1.00 0.00 C ATOM 524 C GLY A 34 9.211 -7.946 -0.220 1.00 0.00 C ATOM 525 O GLY A 34 9.069 -9.136 -0.019 1.00 0.00 O ATOM 0 H GLY A 34 10.474 -5.399 -1.837 1.00 0.00 H new ATOM 0 HA2 GLY A 34 9.221 -7.293 -2.280 1.00 0.00 H new ATOM 0 HA3 GLY A 34 10.667 -8.161 -1.803 1.00 0.00 H new ATOM 529 N ASN A 35 8.755 -7.057 0.621 1.00 0.00 N ATOM 530 CA ASN A 35 8.045 -7.494 1.856 1.00 0.00 C ATOM 531 C ASN A 35 7.023 -6.430 2.263 1.00 0.00 C ATOM 532 O ASN A 35 7.374 -5.324 2.625 1.00 0.00 O ATOM 533 CB ASN A 35 9.059 -7.681 2.985 1.00 0.00 C ATOM 534 CG ASN A 35 9.185 -9.169 3.317 1.00 0.00 C ATOM 535 OD1 ASN A 35 8.210 -9.815 3.646 1.00 0.00 O ATOM 536 ND2 ASN A 35 10.353 -9.744 3.243 1.00 0.00 N ATOM 0 H ASN A 35 8.844 -6.047 0.506 1.00 0.00 H new ATOM 0 HA ASN A 35 7.532 -8.436 1.665 1.00 0.00 H new ATOM 0 HB2 ASN A 35 10.028 -7.281 2.688 1.00 0.00 H new ATOM 0 HB3 ASN A 35 8.742 -7.126 3.868 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.448 -10.736 3.461 1.00 0.00 H new ATOM 0 HD22 ASN A 35 11.172 -9.202 2.967 1.00 0.00 H new ATOM 543 N ILE A 36 5.760 -6.754 2.210 1.00 0.00 N ATOM 544 CA ILE A 36 4.718 -5.761 2.596 1.00 0.00 C ATOM 545 C ILE A 36 5.016 -5.231 4.000 1.00 0.00 C ATOM 546 O ILE A 36 5.280 -5.985 4.915 1.00 0.00 O ATOM 547 CB ILE A 36 3.344 -6.434 2.591 1.00 0.00 C ATOM 548 CG1 ILE A 36 2.922 -6.723 1.149 1.00 0.00 C ATOM 549 CG2 ILE A 36 2.318 -5.506 3.246 1.00 0.00 C ATOM 550 CD1 ILE A 36 2.798 -8.235 0.947 1.00 0.00 C ATOM 0 H ILE A 36 5.405 -7.664 1.916 1.00 0.00 H new ATOM 0 HA ILE A 36 4.722 -4.936 1.884 1.00 0.00 H new ATOM 0 HB ILE A 36 3.396 -7.369 3.149 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.970 -6.237 0.933 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.655 -6.311 0.455 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.339 -5.986 3.242 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.617 -5.300 4.274 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.266 -4.571 2.689 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.497 -8.441 -0.080 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.759 -8.709 1.146 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.049 -8.633 1.631 1.00 0.00 H new ATOM 562 N GLU A 37 4.974 -3.939 4.178 1.00 0.00 N ATOM 563 CA GLU A 37 5.253 -3.364 5.524 1.00 0.00 C ATOM 564 C GLU A 37 4.184 -2.324 5.863 1.00 0.00 C ATOM 565 O GLU A 37 4.322 -1.559 6.797 1.00 0.00 O ATOM 566 CB GLU A 37 6.632 -2.698 5.521 1.00 0.00 C ATOM 567 CG GLU A 37 7.314 -2.929 6.871 1.00 0.00 C ATOM 568 CD GLU A 37 8.830 -2.972 6.678 1.00 0.00 C ATOM 569 OE1 GLU A 37 9.310 -3.957 6.140 1.00 0.00 O ATOM 570 OE2 GLU A 37 9.486 -2.022 7.071 1.00 0.00 O ATOM 0 H GLU A 37 4.759 -3.257 3.450 1.00 0.00 H new ATOM 0 HA GLU A 37 5.237 -4.159 6.270 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.244 -3.108 4.718 1.00 0.00 H new ATOM 0 HB3 GLU A 37 6.531 -1.629 5.331 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.048 -2.132 7.565 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.966 -3.864 7.310 1.00 0.00 H new ATOM 577 N SER A 38 3.117 -2.288 5.113 1.00 0.00 N ATOM 578 CA SER A 38 2.041 -1.296 5.394 1.00 0.00 C ATOM 579 C SER A 38 0.851 -1.557 4.468 1.00 0.00 C ATOM 580 O SER A 38 0.955 -1.451 3.262 1.00 0.00 O ATOM 581 CB SER A 38 2.573 0.117 5.152 1.00 0.00 C ATOM 582 OG SER A 38 2.567 0.836 6.377 1.00 0.00 O ATOM 0 H SER A 38 2.944 -2.903 4.318 1.00 0.00 H new ATOM 0 HA SER A 38 1.722 -1.392 6.432 1.00 0.00 H new ATOM 0 HB2 SER A 38 3.584 0.073 4.748 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.956 0.629 4.413 1.00 0.00 H new ATOM 0 HG SER A 38 3.127 0.370 7.032 1.00 0.00 H new ATOM 588 N SER A 39 -0.280 -1.898 5.023 1.00 0.00 N ATOM 589 CA SER A 39 -1.475 -2.164 4.175 1.00 0.00 C ATOM 590 C SER A 39 -2.668 -1.370 4.709 1.00 0.00 C ATOM 591 O SER A 39 -3.264 -1.721 5.708 1.00 0.00 O ATOM 592 CB SER A 39 -1.803 -3.657 4.211 1.00 0.00 C ATOM 593 OG SER A 39 -1.668 -4.137 5.541 1.00 0.00 O ATOM 0 H SER A 39 -0.427 -2.004 6.027 1.00 0.00 H new ATOM 0 HA SER A 39 -1.266 -1.861 3.149 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.818 -3.826 3.853 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.135 -4.204 3.546 1.00 0.00 H new ATOM 0 HG SER A 39 -2.139 -3.536 6.155 1.00 0.00 H new ATOM 599 N GLU A 40 -3.020 -0.303 4.048 1.00 0.00 N ATOM 600 CA GLU A 40 -4.175 0.516 4.513 1.00 0.00 C ATOM 601 C GLU A 40 -5.209 0.619 3.390 1.00 0.00 C ATOM 602 O GLU A 40 -4.870 0.774 2.233 1.00 0.00 O ATOM 603 CB GLU A 40 -3.688 1.918 4.889 1.00 0.00 C ATOM 604 CG GLU A 40 -3.881 2.139 6.392 1.00 0.00 C ATOM 605 CD GLU A 40 -2.959 3.263 6.866 1.00 0.00 C ATOM 606 OE1 GLU A 40 -2.697 4.160 6.081 1.00 0.00 O ATOM 607 OE2 GLU A 40 -2.530 3.209 8.008 1.00 0.00 O ATOM 0 H GLU A 40 -2.558 0.038 3.205 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.629 0.044 5.384 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.636 2.032 4.626 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.241 2.670 4.326 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.920 2.394 6.602 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.661 1.221 6.936 1.00 0.00 H new ATOM 614 N VAL A 41 -6.469 0.532 3.720 1.00 0.00 N ATOM 615 CA VAL A 41 -7.524 0.624 2.672 1.00 0.00 C ATOM 616 C VAL A 41 -8.349 1.894 2.887 1.00 0.00 C ATOM 617 O VAL A 41 -8.974 2.073 3.914 1.00 0.00 O ATOM 618 CB VAL A 41 -8.437 -0.600 2.762 1.00 0.00 C ATOM 619 CG1 VAL A 41 -9.608 -0.439 1.791 1.00 0.00 C ATOM 620 CG2 VAL A 41 -7.643 -1.856 2.394 1.00 0.00 C ATOM 0 H VAL A 41 -6.813 0.401 4.671 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.057 0.659 1.688 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.818 -0.693 3.779 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -10.258 -1.312 1.856 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.175 0.455 2.050 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.227 -0.346 0.774 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -8.293 -2.729 2.458 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.262 -1.761 1.377 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.808 -1.974 3.085 1.00 0.00 H new ATOM 630 N ILE A 42 -8.357 2.778 1.927 1.00 0.00 N ATOM 631 CA ILE A 42 -9.141 4.037 2.077 1.00 0.00 C ATOM 632 C ILE A 42 -10.217 4.097 0.991 1.00 0.00 C ATOM 633 O ILE A 42 -10.003 3.686 -0.132 1.00 0.00 O ATOM 634 CB ILE A 42 -8.208 5.242 1.936 1.00 0.00 C ATOM 635 CG1 ILE A 42 -6.824 4.886 2.486 1.00 0.00 C ATOM 636 CG2 ILE A 42 -8.777 6.426 2.722 1.00 0.00 C ATOM 637 CD1 ILE A 42 -5.823 5.975 2.096 1.00 0.00 C ATOM 0 H ILE A 42 -7.854 2.683 1.045 1.00 0.00 H new ATOM 0 HA ILE A 42 -9.612 4.057 3.060 1.00 0.00 H new ATOM 0 HB ILE A 42 -8.123 5.511 0.883 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.866 4.788 3.571 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.501 3.923 2.091 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -8.112 7.283 2.621 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -9.762 6.683 2.331 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -8.863 6.156 3.775 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -4.838 5.721 2.488 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.773 6.051 1.010 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -6.144 6.930 2.512 1.00 0.00 H new ATOM 649 N GLU A 43 -11.374 4.608 1.314 1.00 0.00 N ATOM 650 CA GLU A 43 -12.459 4.694 0.297 1.00 0.00 C ATOM 651 C GLU A 43 -12.302 5.987 -0.505 1.00 0.00 C ATOM 652 O GLU A 43 -12.357 7.074 0.036 1.00 0.00 O ATOM 653 CB GLU A 43 -13.819 4.692 0.999 1.00 0.00 C ATOM 654 CG GLU A 43 -14.085 3.308 1.592 1.00 0.00 C ATOM 655 CD GLU A 43 -13.782 3.327 3.092 1.00 0.00 C ATOM 656 OE1 GLU A 43 -13.359 4.364 3.576 1.00 0.00 O ATOM 657 OE2 GLU A 43 -13.978 2.306 3.729 1.00 0.00 O ATOM 0 H GLU A 43 -11.614 4.969 2.237 1.00 0.00 H new ATOM 0 HA GLU A 43 -12.396 3.838 -0.375 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.835 5.446 1.786 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -14.606 4.953 0.291 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -15.123 3.022 1.424 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -13.465 2.562 1.095 1.00 0.00 H new ATOM 664 N ASN A 44 -12.105 5.880 -1.790 1.00 0.00 N ATOM 665 CA ASN A 44 -11.943 7.106 -2.622 1.00 0.00 C ATOM 666 C ASN A 44 -13.004 8.137 -2.220 1.00 0.00 C ATOM 667 O ASN A 44 -14.131 7.782 -1.936 1.00 0.00 O ATOM 668 CB ASN A 44 -12.117 6.745 -4.098 1.00 0.00 C ATOM 669 CG ASN A 44 -10.940 7.301 -4.900 1.00 0.00 C ATOM 670 OD1 ASN A 44 -11.165 7.883 -6.046 1.00 0.00 O flip ATOM 671 ND2 ASN A 44 -9.804 7.202 -4.482 1.00 0.00 N flip ATOM 0 H ASN A 44 -12.049 4.998 -2.300 1.00 0.00 H new ATOM 0 HA ASN A 44 -10.949 7.525 -2.465 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -12.172 5.663 -4.215 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -13.054 7.154 -4.476 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -9.628 6.747 -3.586 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -9.026 7.574 -5.027 1.00 0.00 H new ATOM 769 N GLY A 54 -14.794 9.730 -13.136 1.00 0.00 N ATOM 770 CA GLY A 54 -14.068 9.472 -11.859 1.00 0.00 C ATOM 771 C GLY A 54 -12.579 9.269 -12.146 1.00 0.00 C ATOM 772 O GLY A 54 -11.851 8.719 -11.344 1.00 0.00 O ATOM 0 HA2 GLY A 54 -14.206 10.310 -11.175 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -14.478 8.589 -11.368 1.00 0.00 H new ATOM 776 N ILE A 55 -12.121 9.709 -13.286 1.00 0.00 N ATOM 777 CA ILE A 55 -10.680 9.540 -13.626 1.00 0.00 C ATOM 778 C ILE A 55 -9.848 10.568 -12.857 1.00 0.00 C ATOM 779 O ILE A 55 -8.641 10.457 -12.759 1.00 0.00 O ATOM 780 CB ILE A 55 -10.486 9.750 -15.129 1.00 0.00 C ATOM 781 CG1 ILE A 55 -11.273 8.684 -15.897 1.00 0.00 C ATOM 782 CG2 ILE A 55 -9.001 9.634 -15.476 1.00 0.00 C ATOM 783 CD1 ILE A 55 -10.971 7.304 -15.307 1.00 0.00 C ATOM 0 H ILE A 55 -12.682 10.178 -13.997 1.00 0.00 H new ATOM 0 HA ILE A 55 -10.357 8.536 -13.352 1.00 0.00 H new ATOM 0 HB ILE A 55 -10.846 10.741 -15.406 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -12.341 8.891 -15.837 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -11.003 8.707 -16.953 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -8.865 9.784 -16.547 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -8.439 10.391 -14.929 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -8.639 8.644 -15.199 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -11.531 6.544 -15.853 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -9.904 7.098 -15.390 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -11.263 7.285 -14.257 1.00 0.00 H new ATOM 795 N ARG A 56 -10.482 11.568 -12.309 1.00 0.00 N ATOM 796 CA ARG A 56 -9.726 12.603 -11.547 1.00 0.00 C ATOM 797 C ARG A 56 -8.963 11.941 -10.397 1.00 0.00 C ATOM 798 O ARG A 56 -8.046 12.511 -9.838 1.00 0.00 O ATOM 799 CB ARG A 56 -10.707 13.632 -10.980 1.00 0.00 C ATOM 800 CG ARG A 56 -11.808 12.911 -10.200 1.00 0.00 C ATOM 801 CD ARG A 56 -13.107 13.713 -10.289 1.00 0.00 C ATOM 802 NE ARG A 56 -13.216 14.612 -9.107 1.00 0.00 N ATOM 803 CZ ARG A 56 -13.041 15.898 -9.247 1.00 0.00 C ATOM 804 NH1 ARG A 56 -14.036 16.653 -9.626 1.00 0.00 N ATOM 805 NH2 ARG A 56 -11.871 16.427 -9.014 1.00 0.00 N ATOM 0 H ARG A 56 -11.490 11.714 -12.356 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.019 13.098 -12.212 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.182 14.330 -10.328 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -11.144 14.218 -11.789 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -11.958 11.910 -10.604 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -11.512 12.793 -9.158 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -13.123 14.299 -11.208 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -13.962 13.038 -10.326 1.00 0.00 H new ATOM 0 HE ARG A 56 -13.427 14.223 -8.188 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -14.949 16.238 -9.812 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -13.901 17.658 -9.736 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -11.093 15.836 -8.722 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -11.735 17.432 -9.124 1.00 0.00 H new ATOM 819 N THR A 57 -9.335 10.744 -10.035 1.00 0.00 N ATOM 820 CA THR A 57 -8.634 10.047 -8.918 1.00 0.00 C ATOM 821 C THR A 57 -7.172 9.802 -9.296 1.00 0.00 C ATOM 822 O THR A 57 -6.284 9.894 -8.472 1.00 0.00 O ATOM 823 CB THR A 57 -9.318 8.705 -8.646 1.00 0.00 C ATOM 824 OG1 THR A 57 -8.614 8.016 -7.623 1.00 0.00 O ATOM 825 CG2 THR A 57 -9.318 7.865 -9.923 1.00 0.00 C ATOM 0 H THR A 57 -10.095 10.217 -10.465 1.00 0.00 H new ATOM 0 HA THR A 57 -8.676 10.669 -8.024 1.00 0.00 H new ATOM 0 HB THR A 57 -10.346 8.877 -8.327 1.00 0.00 H new ATOM 0 HG1 THR A 57 -9.251 7.669 -6.964 1.00 0.00 H new ATOM 0 HG21 THR A 57 -9.805 6.909 -9.730 1.00 0.00 H new ATOM 0 HG22 THR A 57 -9.858 8.395 -10.707 1.00 0.00 H new ATOM 0 HG23 THR A 57 -8.291 7.691 -10.244 1.00 0.00 H new ATOM 833 N ALA A 58 -6.914 9.481 -10.534 1.00 0.00 N ATOM 834 CA ALA A 58 -5.510 9.221 -10.962 1.00 0.00 C ATOM 835 C ALA A 58 -4.587 10.309 -10.404 1.00 0.00 C ATOM 836 O ALA A 58 -3.447 10.056 -10.070 1.00 0.00 O ATOM 837 CB ALA A 58 -5.437 9.224 -12.491 1.00 0.00 C ATOM 0 H ALA A 58 -7.615 9.387 -11.269 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.191 8.251 -10.582 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.411 9.034 -12.807 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -6.089 8.446 -12.888 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.759 10.194 -12.869 1.00 0.00 H new ATOM 843 N GLN A 59 -5.068 11.518 -10.307 1.00 0.00 N ATOM 844 CA GLN A 59 -4.213 12.620 -9.778 1.00 0.00 C ATOM 845 C GLN A 59 -3.791 12.306 -8.340 1.00 0.00 C ATOM 846 O GLN A 59 -2.624 12.130 -8.051 1.00 0.00 O ATOM 847 CB GLN A 59 -5.001 13.932 -9.802 1.00 0.00 C ATOM 848 CG GLN A 59 -4.036 15.104 -9.990 1.00 0.00 C ATOM 849 CD GLN A 59 -4.360 15.827 -11.298 1.00 0.00 C ATOM 850 OE1 GLN A 59 -5.412 15.629 -11.873 1.00 0.00 O ATOM 851 NE2 GLN A 59 -3.493 16.666 -11.797 1.00 0.00 N ATOM 0 H GLN A 59 -6.015 11.791 -10.571 1.00 0.00 H new ATOM 0 HA GLN A 59 -3.324 12.715 -10.401 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -5.731 13.915 -10.611 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.558 14.051 -8.873 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -4.118 15.794 -9.151 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -3.008 14.743 -10.007 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -2.610 16.833 -11.315 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -3.699 17.154 -12.668 1.00 0.00 H new ATOM 860 N ILE A 60 -4.729 12.245 -7.435 1.00 0.00 N ATOM 861 CA ILE A 60 -4.380 11.952 -6.015 1.00 0.00 C ATOM 862 C ILE A 60 -3.668 10.600 -5.921 1.00 0.00 C ATOM 863 O ILE A 60 -3.010 10.304 -4.943 1.00 0.00 O ATOM 864 CB ILE A 60 -5.660 11.910 -5.179 1.00 0.00 C ATOM 865 CG1 ILE A 60 -5.303 11.624 -3.718 1.00 0.00 C ATOM 866 CG2 ILE A 60 -6.577 10.806 -5.704 1.00 0.00 C ATOM 867 CD1 ILE A 60 -5.917 12.702 -2.822 1.00 0.00 C ATOM 0 H ILE A 60 -5.723 12.385 -7.617 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.718 12.732 -5.639 1.00 0.00 H new ATOM 0 HB ILE A 60 -6.172 12.870 -5.249 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -5.673 10.641 -3.428 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.220 11.606 -3.594 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -7.489 10.776 -5.108 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.830 11.008 -6.745 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -6.067 9.845 -5.634 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -5.663 12.499 -1.782 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -5.525 13.678 -3.107 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -7.001 12.698 -2.938 1.00 0.00 H new ATOM 879 N ILE A 61 -3.795 9.776 -6.924 1.00 0.00 N ATOM 880 CA ILE A 61 -3.124 8.446 -6.881 1.00 0.00 C ATOM 881 C ILE A 61 -1.626 8.616 -7.139 1.00 0.00 C ATOM 882 O ILE A 61 -0.806 7.925 -6.567 1.00 0.00 O ATOM 883 CB ILE A 61 -3.729 7.537 -7.954 1.00 0.00 C ATOM 884 CG1 ILE A 61 -5.135 7.112 -7.525 1.00 0.00 C ATOM 885 CG2 ILE A 61 -2.854 6.294 -8.128 1.00 0.00 C ATOM 886 CD1 ILE A 61 -5.058 6.349 -6.202 1.00 0.00 C ATOM 0 H ILE A 61 -4.333 9.965 -7.770 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.271 7.998 -5.898 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.782 8.078 -8.899 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.773 7.989 -7.414 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -5.586 6.484 -8.293 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.287 5.648 -8.892 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.851 6.595 -8.432 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.800 5.752 -7.184 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.060 6.047 -5.897 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.435 5.464 -6.328 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.624 6.992 -5.436 1.00 0.00 H new ATOM 898 N ALA A 62 -1.261 9.527 -7.999 1.00 0.00 N ATOM 899 CA ALA A 62 0.185 9.735 -8.294 1.00 0.00 C ATOM 900 C ALA A 62 0.858 10.439 -7.113 1.00 0.00 C ATOM 901 O ALA A 62 2.040 10.277 -6.874 1.00 0.00 O ATOM 902 CB ALA A 62 0.329 10.600 -9.549 1.00 0.00 C ATOM 0 H ALA A 62 -1.901 10.136 -8.510 1.00 0.00 H new ATOM 0 HA ALA A 62 0.662 8.768 -8.457 1.00 0.00 H new ATOM 0 HB1 ALA A 62 1.386 10.753 -9.766 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -0.146 10.099 -10.393 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.151 11.565 -9.383 1.00 0.00 H new ATOM 908 N ASN A 63 0.122 11.223 -6.373 1.00 0.00 N ATOM 909 CA ASN A 63 0.728 11.939 -5.213 1.00 0.00 C ATOM 910 C ASN A 63 0.905 10.973 -4.039 1.00 0.00 C ATOM 911 O ASN A 63 1.538 11.293 -3.053 1.00 0.00 O ATOM 912 CB ASN A 63 -0.187 13.089 -4.787 1.00 0.00 C ATOM 913 CG ASN A 63 0.429 13.813 -3.588 1.00 0.00 C ATOM 914 OD1 ASN A 63 1.614 14.077 -3.566 1.00 0.00 O ATOM 915 ND2 ASN A 63 -0.332 14.147 -2.581 1.00 0.00 N ATOM 0 H ASN A 63 -0.872 11.399 -6.521 1.00 0.00 H new ATOM 0 HA ASN A 63 1.701 12.333 -5.506 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -0.324 13.785 -5.615 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -1.174 12.706 -4.526 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.069 14.629 -1.777 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -1.328 13.926 -2.599 1.00 0.00 H new ATOM 922 N ASN A 64 0.352 9.795 -4.132 1.00 0.00 N ATOM 923 CA ASN A 64 0.493 8.820 -3.013 1.00 0.00 C ATOM 924 C ASN A 64 1.770 7.998 -3.205 1.00 0.00 C ATOM 925 O ASN A 64 2.025 7.052 -2.485 1.00 0.00 O ATOM 926 CB ASN A 64 -0.721 7.888 -2.992 1.00 0.00 C ATOM 927 CG ASN A 64 -1.897 8.603 -2.322 1.00 0.00 C ATOM 928 OD1 ASN A 64 -1.770 9.733 -1.893 1.00 0.00 O ATOM 929 ND2 ASN A 64 -3.043 7.989 -2.213 1.00 0.00 N ATOM 0 H ASN A 64 -0.190 9.466 -4.931 1.00 0.00 H new ATOM 0 HA ASN A 64 0.552 9.359 -2.068 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -0.988 7.598 -4.008 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -0.482 6.972 -2.451 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -3.832 8.457 -1.768 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.150 7.041 -2.573 1.00 0.00 H new ATOM 936 N GLY A 65 2.580 8.354 -4.165 1.00 0.00 N ATOM 937 CA GLY A 65 3.843 7.597 -4.396 1.00 0.00 C ATOM 938 C GLY A 65 3.522 6.203 -4.938 1.00 0.00 C ATOM 939 O GLY A 65 4.381 5.348 -5.021 1.00 0.00 O ATOM 0 H GLY A 65 2.421 9.137 -4.799 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.476 8.135 -5.102 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.403 7.515 -3.465 1.00 0.00 H new ATOM 943 N VAL A 66 2.294 5.966 -5.311 1.00 0.00 N ATOM 944 CA VAL A 66 1.925 4.626 -5.850 1.00 0.00 C ATOM 945 C VAL A 66 2.610 4.415 -7.198 1.00 0.00 C ATOM 946 O VAL A 66 2.069 4.732 -8.238 1.00 0.00 O ATOM 947 CB VAL A 66 0.408 4.549 -6.026 1.00 0.00 C ATOM 948 CG1 VAL A 66 -0.037 3.087 -5.983 1.00 0.00 C ATOM 949 CG2 VAL A 66 -0.275 5.320 -4.895 1.00 0.00 C ATOM 0 H VAL A 66 1.531 6.641 -5.266 1.00 0.00 H new ATOM 0 HA VAL A 66 2.248 3.851 -5.155 1.00 0.00 H new ATOM 0 HB VAL A 66 0.131 4.986 -6.985 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.118 3.032 -6.108 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.450 2.535 -6.787 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.240 2.651 -5.023 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.357 5.266 -5.019 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.003 4.882 -3.936 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.042 6.363 -4.922 1.00 0.00 H new ATOM 959 N LYS A 67 3.796 3.873 -7.188 1.00 0.00 N ATOM 960 CA LYS A 67 4.512 3.634 -8.468 1.00 0.00 C ATOM 961 C LYS A 67 3.960 2.364 -9.115 1.00 0.00 C ATOM 962 O LYS A 67 4.288 2.035 -10.238 1.00 0.00 O ATOM 963 CB LYS A 67 6.008 3.462 -8.194 1.00 0.00 C ATOM 964 CG LYS A 67 6.791 3.661 -9.494 1.00 0.00 C ATOM 965 CD LYS A 67 7.957 4.622 -9.247 1.00 0.00 C ATOM 966 CE LYS A 67 7.564 6.029 -9.700 1.00 0.00 C ATOM 967 NZ LYS A 67 8.763 6.730 -10.239 1.00 0.00 N ATOM 0 H LYS A 67 4.299 3.586 -6.348 1.00 0.00 H new ATOM 0 HA LYS A 67 4.366 4.482 -9.137 1.00 0.00 H new ATOM 0 HB2 LYS A 67 6.337 4.183 -7.445 1.00 0.00 H new ATOM 0 HB3 LYS A 67 6.202 2.469 -7.788 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.166 2.703 -9.855 1.00 0.00 H new ATOM 0 HG3 LYS A 67 6.135 4.059 -10.268 1.00 0.00 H new ATOM 0 HD2 LYS A 67 8.218 4.629 -8.189 1.00 0.00 H new ATOM 0 HD3 LYS A 67 8.840 4.287 -9.791 1.00 0.00 H new ATOM 0 HE2 LYS A 67 6.788 5.973 -10.464 1.00 0.00 H new ATOM 0 HE3 LYS A 67 7.148 6.589 -8.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.496 7.687 -10.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 9.490 6.795 -9.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.141 6.198 -11.049 1.00 0.00 H new ATOM 981 N ALA A 68 3.116 1.648 -8.419 1.00 0.00 N ATOM 982 CA ALA A 68 2.542 0.403 -9.003 1.00 0.00 C ATOM 983 C ALA A 68 1.050 0.334 -8.677 1.00 0.00 C ATOM 984 O ALA A 68 0.664 0.026 -7.571 1.00 0.00 O ATOM 985 CB ALA A 68 3.252 -0.814 -8.408 1.00 0.00 C ATOM 0 H ALA A 68 2.801 1.872 -7.475 1.00 0.00 H new ATOM 0 HA ALA A 68 2.680 0.409 -10.084 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.832 -1.725 -8.835 1.00 0.00 H new ATOM 0 HB2 ALA A 68 4.316 -0.763 -8.638 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.114 -0.823 -7.327 1.00 0.00 H new ATOM 991 N VAL A 69 0.205 0.622 -9.629 1.00 0.00 N ATOM 992 CA VAL A 69 -1.259 0.574 -9.358 1.00 0.00 C ATOM 993 C VAL A 69 -1.893 -0.578 -10.138 1.00 0.00 C ATOM 994 O VAL A 69 -1.659 -0.744 -11.318 1.00 0.00 O ATOM 995 CB VAL A 69 -1.900 1.895 -9.789 1.00 0.00 C ATOM 996 CG1 VAL A 69 -3.423 1.768 -9.728 1.00 0.00 C ATOM 997 CG2 VAL A 69 -1.446 3.012 -8.847 1.00 0.00 C ATOM 0 H VAL A 69 0.464 0.887 -10.579 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.422 0.419 -8.292 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.595 2.130 -10.809 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.879 2.709 -10.035 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -3.749 0.972 -10.397 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.728 1.533 -8.708 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.902 3.954 -9.153 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.752 2.775 -7.828 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.361 3.104 -8.888 1.00 0.00 H new ATOM 1007 N ILE A 70 -2.697 -1.373 -9.487 1.00 0.00 N ATOM 1008 CA ILE A 70 -3.351 -2.512 -10.190 1.00 0.00 C ATOM 1009 C ILE A 70 -4.821 -2.168 -10.447 1.00 0.00 C ATOM 1010 O ILE A 70 -5.609 -2.049 -9.528 1.00 0.00 O ATOM 1011 CB ILE A 70 -3.263 -3.767 -9.320 1.00 0.00 C ATOM 1012 CG1 ILE A 70 -1.815 -4.264 -9.287 1.00 0.00 C ATOM 1013 CG2 ILE A 70 -4.162 -4.858 -9.903 1.00 0.00 C ATOM 1014 CD1 ILE A 70 -0.997 -3.392 -8.332 1.00 0.00 C ATOM 0 H ILE A 70 -2.929 -1.283 -8.498 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.847 -2.695 -11.139 1.00 0.00 H new ATOM 0 HB ILE A 70 -3.590 -3.530 -8.308 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.784 -5.304 -8.963 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.384 -4.229 -10.288 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -4.099 -5.752 -9.282 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -5.193 -4.505 -9.927 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.836 -5.096 -10.916 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.034 -3.746 -8.309 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.018 -2.358 -8.676 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.423 -3.450 -7.331 1.00 0.00 H new ATOM 1026 N ALA A 71 -5.196 -2.001 -11.685 1.00 0.00 N ATOM 1027 CA ALA A 71 -6.612 -1.656 -11.995 1.00 0.00 C ATOM 1028 C ALA A 71 -7.001 -2.224 -13.358 1.00 0.00 C ATOM 1029 O ALA A 71 -6.224 -2.887 -14.017 1.00 0.00 O ATOM 1030 CB ALA A 71 -6.770 -0.135 -12.016 1.00 0.00 C ATOM 0 H ALA A 71 -4.583 -2.089 -12.496 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.260 -2.084 -11.231 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -7.805 0.120 -12.243 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -6.501 0.272 -11.041 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -6.117 0.288 -12.779 1.00 0.00 H new ATOM 1036 N SER A 72 -8.206 -1.965 -13.779 1.00 0.00 N ATOM 1037 CA SER A 72 -8.670 -2.478 -15.099 1.00 0.00 C ATOM 1038 C SER A 72 -9.628 -1.465 -15.734 1.00 0.00 C ATOM 1039 O SER A 72 -10.687 -1.814 -16.215 1.00 0.00 O ATOM 1040 CB SER A 72 -9.397 -3.809 -14.903 1.00 0.00 C ATOM 1041 OG SER A 72 -8.459 -4.874 -14.990 1.00 0.00 O ATOM 0 H SER A 72 -8.894 -1.417 -13.263 1.00 0.00 H new ATOM 0 HA SER A 72 -7.810 -2.625 -15.752 1.00 0.00 H new ATOM 0 HB2 SER A 72 -9.894 -3.825 -13.933 1.00 0.00 H new ATOM 0 HB3 SER A 72 -10.172 -3.928 -15.661 1.00 0.00 H new ATOM 0 HG SER A 72 -7.564 -4.540 -14.773 1.00 0.00 H new ATOM 1047 N SER A 73 -9.265 -0.210 -15.734 1.00 0.00 N ATOM 1048 CA SER A 73 -10.155 0.825 -16.333 1.00 0.00 C ATOM 1049 C SER A 73 -10.678 0.333 -17.687 1.00 0.00 C ATOM 1050 O SER A 73 -10.029 -0.447 -18.354 1.00 0.00 O ATOM 1051 CB SER A 73 -9.370 2.123 -16.530 1.00 0.00 C ATOM 1052 OG SER A 73 -8.046 1.813 -16.946 1.00 0.00 O ATOM 0 H SER A 73 -8.390 0.143 -15.345 1.00 0.00 H new ATOM 0 HA SER A 73 -10.997 1.008 -15.665 1.00 0.00 H new ATOM 0 HB2 SER A 73 -9.861 2.749 -17.276 1.00 0.00 H new ATOM 0 HB3 SER A 73 -9.348 2.693 -15.601 1.00 0.00 H new ATOM 0 HG SER A 73 -7.407 2.154 -16.285 1.00 0.00 H new ATOM 1058 N PRO A 74 -11.843 0.809 -18.050 1.00 0.00 N ATOM 1059 CA PRO A 74 -12.493 0.441 -19.320 1.00 0.00 C ATOM 1060 C PRO A 74 -11.860 1.201 -20.490 1.00 0.00 C ATOM 1061 O PRO A 74 -11.888 0.754 -21.620 1.00 0.00 O ATOM 1062 CB PRO A 74 -13.948 0.870 -19.116 1.00 0.00 C ATOM 1063 CG PRO A 74 -13.933 1.949 -18.007 1.00 0.00 C ATOM 1064 CD PRO A 74 -12.620 1.758 -17.225 1.00 0.00 C ATOM 0 HA PRO A 74 -12.394 -0.618 -19.559 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -14.369 1.268 -20.039 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -14.566 0.021 -18.824 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -13.985 2.949 -18.438 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -14.795 1.840 -17.349 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -12.090 2.702 -17.099 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -12.805 1.360 -16.227 1.00 0.00 H new ATOM 1072 N GLY A 75 -11.293 2.348 -20.231 1.00 0.00 N ATOM 1073 CA GLY A 75 -10.664 3.132 -21.332 1.00 0.00 C ATOM 1074 C GLY A 75 -9.185 3.369 -21.014 1.00 0.00 C ATOM 1075 O GLY A 75 -8.801 3.415 -19.862 1.00 0.00 O ATOM 0 H GLY A 75 -11.238 2.775 -19.306 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -10.762 2.596 -22.276 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.178 4.086 -21.452 1.00 0.00 H new ATOM 1079 N PRO A 76 -8.401 3.514 -22.051 1.00 0.00 N ATOM 1080 CA PRO A 76 -6.952 3.751 -21.924 1.00 0.00 C ATOM 1081 C PRO A 76 -6.678 5.213 -21.564 1.00 0.00 C ATOM 1082 O PRO A 76 -5.602 5.563 -21.125 1.00 0.00 O ATOM 1083 CB PRO A 76 -6.413 3.423 -23.320 1.00 0.00 C ATOM 1084 CG PRO A 76 -7.606 3.573 -24.295 1.00 0.00 C ATOM 1085 CD PRO A 76 -8.885 3.455 -23.445 1.00 0.00 C ATOM 0 HA PRO A 76 -6.487 3.154 -21.140 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -5.602 4.099 -23.592 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.009 2.411 -23.353 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -7.569 4.534 -24.808 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -7.578 2.800 -25.063 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -9.582 4.266 -23.659 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -9.411 2.521 -23.645 1.00 0.00 H new ATOM 1093 N ASN A 77 -7.646 6.071 -21.748 1.00 0.00 N ATOM 1094 CA ASN A 77 -7.441 7.509 -21.417 1.00 0.00 C ATOM 1095 C ASN A 77 -6.793 7.631 -20.037 1.00 0.00 C ATOM 1096 O ASN A 77 -5.842 8.364 -19.849 1.00 0.00 O ATOM 1097 CB ASN A 77 -8.791 8.226 -21.408 1.00 0.00 C ATOM 1098 CG ASN A 77 -8.637 9.615 -22.033 1.00 0.00 C ATOM 1099 OD1 ASN A 77 -9.542 10.108 -22.676 1.00 0.00 O ATOM 1100 ND2 ASN A 77 -7.521 10.269 -21.868 1.00 0.00 N ATOM 0 H ASN A 77 -8.569 5.837 -22.113 1.00 0.00 H new ATOM 0 HA ASN A 77 -6.790 7.963 -22.165 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -9.527 7.645 -21.964 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -9.161 8.314 -20.386 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -7.407 11.196 -22.279 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -6.762 9.854 -21.328 1.00 0.00 H new ATOM 1107 N ALA A 78 -7.302 6.920 -19.068 1.00 0.00 N ATOM 1108 CA ALA A 78 -6.717 7.000 -17.699 1.00 0.00 C ATOM 1109 C ALA A 78 -5.312 6.393 -17.704 1.00 0.00 C ATOM 1110 O ALA A 78 -4.429 6.844 -17.002 1.00 0.00 O ATOM 1111 CB ALA A 78 -7.604 6.227 -16.721 1.00 0.00 C ATOM 0 H ALA A 78 -8.097 6.288 -19.165 1.00 0.00 H new ATOM 0 HA ALA A 78 -6.658 8.044 -17.391 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.178 6.285 -15.720 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -8.604 6.661 -16.715 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.664 5.184 -17.031 1.00 0.00 H new ATOM 1117 N PHE A 79 -5.098 5.372 -18.486 1.00 0.00 N ATOM 1118 CA PHE A 79 -3.750 4.739 -18.529 1.00 0.00 C ATOM 1119 C PHE A 79 -2.768 5.669 -19.244 1.00 0.00 C ATOM 1120 O PHE A 79 -1.567 5.526 -19.129 1.00 0.00 O ATOM 1121 CB PHE A 79 -3.835 3.407 -19.281 1.00 0.00 C ATOM 1122 CG PHE A 79 -4.429 2.341 -18.383 1.00 0.00 C ATOM 1123 CD1 PHE A 79 -4.984 2.687 -17.141 1.00 0.00 C ATOM 1124 CD2 PHE A 79 -4.425 1.002 -18.797 1.00 0.00 C ATOM 1125 CE1 PHE A 79 -5.532 1.696 -16.317 1.00 0.00 C ATOM 1126 CE2 PHE A 79 -4.973 0.011 -17.971 1.00 0.00 C ATOM 1127 CZ PHE A 79 -5.527 0.357 -16.732 1.00 0.00 C ATOM 0 H PHE A 79 -5.797 4.949 -19.097 1.00 0.00 H new ATOM 0 HA PHE A 79 -3.402 4.560 -17.512 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -4.447 3.523 -20.175 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -2.842 3.103 -19.612 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -4.988 3.718 -16.821 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -4.000 0.734 -19.753 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -5.959 1.963 -15.362 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -4.968 -1.021 -18.290 1.00 0.00 H new ATOM 0 HZ PHE A 79 -5.950 -0.407 -16.097 1.00 0.00 H new ATOM 1137 N GLU A 80 -3.266 6.628 -19.975 1.00 0.00 N ATOM 1138 CA GLU A 80 -2.356 7.568 -20.688 1.00 0.00 C ATOM 1139 C GLU A 80 -1.725 8.518 -19.669 1.00 0.00 C ATOM 1140 O GLU A 80 -0.543 8.798 -19.715 1.00 0.00 O ATOM 1141 CB GLU A 80 -3.154 8.373 -21.715 1.00 0.00 C ATOM 1142 CG GLU A 80 -3.277 7.571 -23.012 1.00 0.00 C ATOM 1143 CD GLU A 80 -2.157 7.975 -23.972 1.00 0.00 C ATOM 1144 OE1 GLU A 80 -2.224 9.070 -24.504 1.00 0.00 O ATOM 1145 OE2 GLU A 80 -1.249 7.181 -24.157 1.00 0.00 O ATOM 0 H GLU A 80 -4.262 6.801 -20.109 1.00 0.00 H new ATOM 0 HA GLU A 80 -1.575 7.007 -21.202 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.144 8.603 -21.322 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -2.660 9.325 -21.910 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -3.220 6.504 -22.798 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -4.248 7.752 -23.473 1.00 0.00 H new ATOM 1152 N VAL A 81 -2.505 9.009 -18.746 1.00 0.00 N ATOM 1153 CA VAL A 81 -1.955 9.935 -17.719 1.00 0.00 C ATOM 1154 C VAL A 81 -1.173 9.129 -16.680 1.00 0.00 C ATOM 1155 O VAL A 81 -0.226 9.609 -16.089 1.00 0.00 O ATOM 1156 CB VAL A 81 -3.106 10.673 -17.031 1.00 0.00 C ATOM 1157 CG1 VAL A 81 -2.581 11.963 -16.400 1.00 0.00 C ATOM 1158 CG2 VAL A 81 -4.182 11.011 -18.063 1.00 0.00 C ATOM 0 H VAL A 81 -3.501 8.808 -18.659 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.293 10.658 -18.195 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.533 10.038 -16.255 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.401 12.488 -15.910 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.813 11.722 -15.664 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.154 12.599 -17.175 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.002 11.537 -17.574 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.755 11.646 -18.839 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -4.557 10.091 -18.512 1.00 0.00 H new ATOM 1168 N LEU A 82 -1.565 7.904 -16.454 1.00 0.00 N ATOM 1169 CA LEU A 82 -0.849 7.062 -15.455 1.00 0.00 C ATOM 1170 C LEU A 82 0.607 6.875 -15.891 1.00 0.00 C ATOM 1171 O LEU A 82 1.528 7.186 -15.163 1.00 0.00 O ATOM 1172 CB LEU A 82 -1.531 5.694 -15.361 1.00 0.00 C ATOM 1173 CG LEU A 82 -2.517 5.689 -14.189 1.00 0.00 C ATOM 1174 CD1 LEU A 82 -3.364 6.961 -14.222 1.00 0.00 C ATOM 1175 CD2 LEU A 82 -3.432 4.467 -14.302 1.00 0.00 C ATOM 0 H LEU A 82 -2.351 7.450 -16.919 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.876 7.552 -14.482 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -2.055 5.473 -16.291 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.783 4.913 -15.223 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.963 5.649 -13.251 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.064 6.954 -13.387 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.714 7.833 -14.143 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.918 7.005 -15.160 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.135 4.461 -13.469 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.983 4.511 -15.242 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.830 3.558 -14.276 1.00 0.00 H new ATOM 1187 N ASN A 83 0.820 6.367 -17.075 1.00 0.00 N ATOM 1188 CA ASN A 83 2.216 6.158 -17.557 1.00 0.00 C ATOM 1189 C ASN A 83 2.875 7.514 -17.824 1.00 0.00 C ATOM 1190 O ASN A 83 4.076 7.611 -17.981 1.00 0.00 O ATOM 1191 CB ASN A 83 2.191 5.337 -18.850 1.00 0.00 C ATOM 1192 CG ASN A 83 1.703 6.212 -20.007 1.00 0.00 C ATOM 1193 OD1 ASN A 83 0.619 6.758 -19.956 1.00 0.00 O ATOM 1194 ND2 ASN A 83 2.464 6.370 -21.055 1.00 0.00 N ATOM 0 H ASN A 83 0.089 6.088 -17.729 1.00 0.00 H new ATOM 0 HA ASN A 83 2.786 5.623 -16.797 1.00 0.00 H new ATOM 0 HB2 ASN A 83 3.187 4.952 -19.067 1.00 0.00 H new ATOM 0 HB3 ASN A 83 1.535 4.474 -18.732 1.00 0.00 H new ATOM 0 HD21 ASN A 83 2.149 6.952 -21.831 1.00 0.00 H new ATOM 0 HD22 ASN A 83 3.374 5.912 -21.098 1.00 0.00 H new ATOM 1201 N GLU A 84 2.098 8.560 -17.880 1.00 0.00 N ATOM 1202 CA GLU A 84 2.679 9.907 -18.140 1.00 0.00 C ATOM 1203 C GLU A 84 3.340 10.436 -16.865 1.00 0.00 C ATOM 1204 O GLU A 84 4.360 11.095 -16.910 1.00 0.00 O ATOM 1205 CB GLU A 84 1.570 10.867 -18.574 1.00 0.00 C ATOM 1206 CG GLU A 84 1.904 11.444 -19.952 1.00 0.00 C ATOM 1207 CD GLU A 84 3.080 12.414 -19.828 1.00 0.00 C ATOM 1208 OE1 GLU A 84 3.288 12.926 -18.740 1.00 0.00 O ATOM 1209 OE2 GLU A 84 3.751 12.629 -20.823 1.00 0.00 O ATOM 0 H GLU A 84 1.086 8.540 -17.757 1.00 0.00 H new ATOM 0 HA GLU A 84 3.425 9.832 -18.931 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.615 10.344 -18.609 1.00 0.00 H new ATOM 0 HB3 GLU A 84 1.466 11.672 -17.846 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.154 10.640 -20.644 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.036 11.959 -20.362 1.00 0.00 H new ATOM 1216 N LEU A 85 2.766 10.156 -15.727 1.00 0.00 N ATOM 1217 CA LEU A 85 3.361 10.649 -14.454 1.00 0.00 C ATOM 1218 C LEU A 85 4.424 9.662 -13.966 1.00 0.00 C ATOM 1219 O LEU A 85 4.890 9.740 -12.846 1.00 0.00 O ATOM 1220 CB LEU A 85 2.263 10.789 -13.397 1.00 0.00 C ATOM 1221 CG LEU A 85 1.254 11.846 -13.852 1.00 0.00 C ATOM 1222 CD1 LEU A 85 0.199 12.050 -12.763 1.00 0.00 C ATOM 1223 CD2 LEU A 85 1.982 13.167 -14.109 1.00 0.00 C ATOM 0 H LEU A 85 1.912 9.608 -15.624 1.00 0.00 H new ATOM 0 HA LEU A 85 3.825 11.621 -14.624 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.762 9.832 -13.247 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.699 11.074 -12.439 1.00 0.00 H new ATOM 0 HG LEU A 85 0.768 11.512 -14.769 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.519 12.803 -13.088 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.320 11.109 -12.579 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.683 12.383 -11.845 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.264 13.921 -14.433 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.468 13.499 -13.192 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.733 13.023 -14.886 1.00 0.00 H new ATOM 1235 N GLY A 86 4.818 8.737 -14.799 1.00 0.00 N ATOM 1236 CA GLY A 86 5.857 7.752 -14.383 1.00 0.00 C ATOM 1237 C GLY A 86 5.214 6.640 -13.553 1.00 0.00 C ATOM 1238 O GLY A 86 5.892 5.814 -12.976 1.00 0.00 O ATOM 0 H GLY A 86 4.465 8.621 -15.749 1.00 0.00 H new ATOM 0 HA2 GLY A 86 6.342 7.328 -15.262 1.00 0.00 H new ATOM 0 HA3 GLY A 86 6.632 8.251 -13.801 1.00 0.00 H new ATOM 1242 N ILE A 87 3.911 6.611 -13.486 1.00 0.00 N ATOM 1243 CA ILE A 87 3.232 5.551 -12.689 1.00 0.00 C ATOM 1244 C ILE A 87 3.154 4.262 -13.510 1.00 0.00 C ATOM 1245 O ILE A 87 2.984 4.289 -14.712 1.00 0.00 O ATOM 1246 CB ILE A 87 1.819 6.012 -12.330 1.00 0.00 C ATOM 1247 CG1 ILE A 87 1.881 7.416 -11.724 1.00 0.00 C ATOM 1248 CG2 ILE A 87 1.207 5.045 -11.314 1.00 0.00 C ATOM 1249 CD1 ILE A 87 0.516 8.093 -11.862 1.00 0.00 C ATOM 0 H ILE A 87 3.289 7.274 -13.948 1.00 0.00 H new ATOM 0 HA ILE A 87 3.798 5.365 -11.777 1.00 0.00 H new ATOM 0 HB ILE A 87 1.203 6.029 -13.229 1.00 0.00 H new ATOM 0 HG12 ILE A 87 2.165 7.358 -10.673 1.00 0.00 H new ATOM 0 HG13 ILE A 87 2.645 8.008 -12.228 1.00 0.00 H new ATOM 0 HG21 ILE A 87 0.200 5.375 -11.059 1.00 0.00 H new ATOM 0 HG22 ILE A 87 1.163 4.045 -11.745 1.00 0.00 H new ATOM 0 HG23 ILE A 87 1.821 5.026 -10.414 1.00 0.00 H new ATOM 0 HD11 ILE A 87 0.560 9.093 -11.430 1.00 0.00 H new ATOM 0 HD12 ILE A 87 0.250 8.165 -12.917 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -0.237 7.504 -11.337 1.00 0.00 H new ATOM 1261 N LYS A 88 3.274 3.131 -12.869 1.00 0.00 N ATOM 1262 CA LYS A 88 3.203 1.841 -13.610 1.00 0.00 C ATOM 1263 C LYS A 88 1.758 1.335 -13.604 1.00 0.00 C ATOM 1264 O LYS A 88 1.128 1.246 -12.569 1.00 0.00 O ATOM 1265 CB LYS A 88 4.108 0.810 -12.930 1.00 0.00 C ATOM 1266 CG LYS A 88 5.458 1.452 -12.601 1.00 0.00 C ATOM 1267 CD LYS A 88 6.281 0.495 -11.735 1.00 0.00 C ATOM 1268 CE LYS A 88 7.760 0.882 -11.811 1.00 0.00 C ATOM 1269 NZ LYS A 88 8.592 -0.352 -11.892 1.00 0.00 N ATOM 0 H LYS A 88 3.418 3.046 -11.863 1.00 0.00 H new ATOM 0 HA LYS A 88 3.535 1.991 -14.638 1.00 0.00 H new ATOM 0 HB2 LYS A 88 3.637 0.442 -12.019 1.00 0.00 H new ATOM 0 HB3 LYS A 88 4.252 -0.050 -13.584 1.00 0.00 H new ATOM 0 HG2 LYS A 88 5.997 1.682 -13.520 1.00 0.00 H new ATOM 0 HG3 LYS A 88 5.306 2.395 -12.076 1.00 0.00 H new ATOM 0 HD2 LYS A 88 5.936 0.535 -10.702 1.00 0.00 H new ATOM 0 HD3 LYS A 88 6.144 -0.531 -12.077 1.00 0.00 H new ATOM 0 HE2 LYS A 88 7.938 1.512 -12.683 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.040 1.466 -10.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 9.597 -0.090 -11.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.429 -0.936 -11.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 8.331 -0.892 -12.742 1.00 0.00 H new ATOM 1283 N ILE A 89 1.226 1.004 -14.750 1.00 0.00 N ATOM 1284 CA ILE A 89 -0.179 0.507 -14.799 1.00 0.00 C ATOM 1285 C ILE A 89 -0.180 -1.020 -14.876 1.00 0.00 C ATOM 1286 O ILE A 89 0.483 -1.610 -15.705 1.00 0.00 O ATOM 1287 CB ILE A 89 -0.879 1.077 -16.033 1.00 0.00 C ATOM 1288 CG1 ILE A 89 -0.856 2.606 -15.974 1.00 0.00 C ATOM 1289 CG2 ILE A 89 -2.329 0.592 -16.064 1.00 0.00 C ATOM 1290 CD1 ILE A 89 -0.269 3.157 -17.274 1.00 0.00 C ATOM 0 H ILE A 89 1.701 1.056 -15.651 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.706 0.826 -13.900 1.00 0.00 H new ATOM 0 HB ILE A 89 -0.362 0.740 -16.931 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.865 2.990 -15.827 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.261 2.939 -15.124 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.830 0.998 -16.943 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -2.348 -0.497 -16.106 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.845 0.929 -15.165 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.252 4.246 -17.233 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.747 2.783 -17.402 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.883 2.835 -18.115 1.00 0.00 H new ATOM 1302 N TYR A 90 -0.921 -1.662 -14.013 1.00 0.00 N ATOM 1303 CA TYR A 90 -0.973 -3.153 -14.028 1.00 0.00 C ATOM 1304 C TYR A 90 -2.407 -3.602 -14.324 1.00 0.00 C ATOM 1305 O TYR A 90 -3.357 -2.905 -14.026 1.00 0.00 O ATOM 1306 CB TYR A 90 -0.544 -3.691 -12.659 1.00 0.00 C ATOM 1307 CG TYR A 90 0.928 -4.036 -12.684 1.00 0.00 C ATOM 1308 CD1 TYR A 90 1.819 -3.265 -13.444 1.00 0.00 C ATOM 1309 CD2 TYR A 90 1.403 -5.126 -11.942 1.00 0.00 C ATOM 1310 CE1 TYR A 90 3.182 -3.586 -13.464 1.00 0.00 C ATOM 1311 CE2 TYR A 90 2.767 -5.447 -11.963 1.00 0.00 C ATOM 1312 CZ TYR A 90 3.657 -4.676 -12.724 1.00 0.00 C ATOM 1313 OH TYR A 90 5.000 -4.992 -12.744 1.00 0.00 O ATOM 0 H TYR A 90 -1.494 -1.217 -13.296 1.00 0.00 H new ATOM 0 HA TYR A 90 -0.301 -3.537 -14.796 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -0.740 -2.946 -11.888 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -1.130 -4.574 -12.405 1.00 0.00 H new ATOM 0 HD1 TYR A 90 1.454 -2.423 -14.014 1.00 0.00 H new ATOM 0 HD2 TYR A 90 0.718 -5.719 -11.354 1.00 0.00 H new ATOM 0 HE1 TYR A 90 3.867 -2.992 -14.051 1.00 0.00 H new ATOM 0 HE2 TYR A 90 3.133 -6.288 -11.393 1.00 0.00 H new ATOM 0 HH TYR A 90 5.160 -5.774 -12.176 1.00 0.00 H new ATOM 1323 N ARG A 91 -2.574 -4.757 -14.912 1.00 0.00 N ATOM 1324 CA ARG A 91 -3.951 -5.237 -15.228 1.00 0.00 C ATOM 1325 C ARG A 91 -4.414 -6.221 -14.152 1.00 0.00 C ATOM 1326 O ARG A 91 -3.806 -7.251 -13.935 1.00 0.00 O ATOM 1327 CB ARG A 91 -3.950 -5.937 -16.589 1.00 0.00 C ATOM 1328 CG ARG A 91 -5.389 -6.270 -16.992 1.00 0.00 C ATOM 1329 CD ARG A 91 -5.871 -5.267 -18.042 1.00 0.00 C ATOM 1330 NE ARG A 91 -7.232 -5.653 -18.511 1.00 0.00 N ATOM 1331 CZ ARG A 91 -7.827 -4.954 -19.439 1.00 0.00 C ATOM 1332 NH1 ARG A 91 -7.205 -4.689 -20.555 1.00 0.00 N ATOM 1333 NH2 ARG A 91 -9.043 -4.518 -19.250 1.00 0.00 N ATOM 0 H ARG A 91 -1.820 -5.387 -15.186 1.00 0.00 H new ATOM 0 HA ARG A 91 -4.630 -4.385 -15.256 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.490 -5.295 -17.340 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -3.354 -6.848 -16.541 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -5.441 -7.283 -17.391 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -6.039 -6.238 -16.118 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -5.892 -4.263 -17.618 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -5.178 -5.244 -18.883 1.00 0.00 H new ATOM 0 HE ARG A 91 -7.699 -6.464 -18.106 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -6.254 -5.028 -20.702 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -7.670 -4.143 -21.280 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -9.529 -4.724 -18.377 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -9.507 -3.972 -19.975 1.00 0.00 H new ATOM 1347 N ALA A 92 -5.490 -5.915 -13.479 1.00 0.00 N ATOM 1348 CA ALA A 92 -5.993 -6.836 -12.420 1.00 0.00 C ATOM 1349 C ALA A 92 -6.895 -7.898 -13.053 1.00 0.00 C ATOM 1350 O ALA A 92 -7.774 -7.594 -13.835 1.00 0.00 O ATOM 1351 CB ALA A 92 -6.791 -6.039 -11.386 1.00 0.00 C ATOM 0 H ALA A 92 -6.042 -5.068 -13.616 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.149 -7.321 -11.931 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.159 -6.713 -10.612 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.148 -5.283 -10.934 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.635 -5.552 -11.874 1.00 0.00 H new ATOM 1357 N THR A 93 -6.686 -9.143 -12.720 1.00 0.00 N ATOM 1358 CA THR A 93 -7.531 -10.224 -13.302 1.00 0.00 C ATOM 1359 C THR A 93 -8.933 -10.157 -12.693 1.00 0.00 C ATOM 1360 O THR A 93 -9.923 -10.371 -13.364 1.00 0.00 O ATOM 1361 CB THR A 93 -6.904 -11.585 -12.990 1.00 0.00 C ATOM 1362 OG1 THR A 93 -5.496 -11.504 -13.156 1.00 0.00 O ATOM 1363 CG2 THR A 93 -7.473 -12.642 -13.938 1.00 0.00 C ATOM 0 H THR A 93 -5.966 -9.458 -12.070 1.00 0.00 H new ATOM 0 HA THR A 93 -7.597 -10.093 -14.382 1.00 0.00 H new ATOM 0 HB THR A 93 -7.133 -11.864 -11.962 1.00 0.00 H new ATOM 0 HG1 THR A 93 -5.092 -12.374 -12.955 1.00 0.00 H new ATOM 0 HG21 THR A 93 -7.025 -13.610 -13.714 1.00 0.00 H new ATOM 0 HG22 THR A 93 -8.554 -12.703 -13.808 1.00 0.00 H new ATOM 0 HG23 THR A 93 -7.246 -12.367 -14.968 1.00 0.00 H new ATOM 1371 N GLY A 94 -9.025 -9.859 -11.426 1.00 0.00 N ATOM 1372 CA GLY A 94 -10.364 -9.776 -10.776 1.00 0.00 C ATOM 1373 C GLY A 94 -10.498 -10.889 -9.736 1.00 0.00 C ATOM 1374 O GLY A 94 -11.578 -11.182 -9.263 1.00 0.00 O ATOM 0 H GLY A 94 -8.232 -9.670 -10.813 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -10.489 -8.803 -10.301 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -11.150 -9.868 -11.526 1.00 0.00 H new ATOM 1378 N THR A 95 -9.409 -11.510 -9.373 1.00 0.00 N ATOM 1379 CA THR A 95 -9.478 -12.603 -8.362 1.00 0.00 C ATOM 1380 C THR A 95 -9.562 -11.991 -6.963 1.00 0.00 C ATOM 1381 O THR A 95 -10.574 -12.079 -6.295 1.00 0.00 O ATOM 1382 CB THR A 95 -8.225 -13.477 -8.465 1.00 0.00 C ATOM 1383 OG1 THR A 95 -7.400 -12.998 -9.518 1.00 0.00 O ATOM 1384 CG2 THR A 95 -8.632 -14.924 -8.750 1.00 0.00 C ATOM 0 H THR A 95 -8.476 -11.308 -9.732 1.00 0.00 H new ATOM 0 HA THR A 95 -10.360 -13.216 -8.546 1.00 0.00 H new ATOM 0 HB THR A 95 -7.675 -13.436 -7.525 1.00 0.00 H new ATOM 0 HG1 THR A 95 -6.597 -13.556 -9.584 1.00 0.00 H new ATOM 0 HG21 THR A 95 -7.739 -15.545 -8.823 1.00 0.00 H new ATOM 0 HG22 THR A 95 -9.264 -15.290 -7.941 1.00 0.00 H new ATOM 0 HG23 THR A 95 -9.183 -14.969 -9.689 1.00 0.00 H new ATOM 1392 N SER A 96 -8.506 -11.371 -6.512 1.00 0.00 N ATOM 1393 CA SER A 96 -8.525 -10.752 -5.157 1.00 0.00 C ATOM 1394 C SER A 96 -7.261 -9.912 -4.966 1.00 0.00 C ATOM 1395 O SER A 96 -6.164 -10.347 -5.255 1.00 0.00 O ATOM 1396 CB SER A 96 -8.573 -11.851 -4.095 1.00 0.00 C ATOM 1397 OG SER A 96 -9.704 -11.645 -3.259 1.00 0.00 O ATOM 0 H SER A 96 -7.630 -11.266 -7.024 1.00 0.00 H new ATOM 0 HA SER A 96 -9.404 -10.115 -5.059 1.00 0.00 H new ATOM 0 HB2 SER A 96 -8.631 -12.830 -4.570 1.00 0.00 H new ATOM 0 HB3 SER A 96 -7.659 -11.839 -3.501 1.00 0.00 H new ATOM 0 HG SER A 96 -10.024 -10.724 -3.362 1.00 0.00 H new ATOM 1403 N VAL A 97 -7.406 -8.708 -4.484 1.00 0.00 N ATOM 1404 CA VAL A 97 -6.213 -7.839 -4.275 1.00 0.00 C ATOM 1405 C VAL A 97 -5.215 -8.552 -3.362 1.00 0.00 C ATOM 1406 O VAL A 97 -4.034 -8.268 -3.376 1.00 0.00 O ATOM 1407 CB VAL A 97 -6.647 -6.525 -3.625 1.00 0.00 C ATOM 1408 CG1 VAL A 97 -7.690 -5.837 -4.508 1.00 0.00 C ATOM 1409 CG2 VAL A 97 -7.254 -6.815 -2.250 1.00 0.00 C ATOM 0 H VAL A 97 -8.299 -8.288 -4.226 1.00 0.00 H new ATOM 0 HA VAL A 97 -5.743 -7.632 -5.236 1.00 0.00 H new ATOM 0 HB VAL A 97 -5.782 -5.872 -3.512 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -7.999 -4.900 -4.044 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -7.259 -5.632 -5.488 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -8.557 -6.488 -4.622 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -7.564 -5.879 -1.785 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -8.119 -7.468 -2.365 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -6.511 -7.305 -1.620 1.00 0.00 H new ATOM 1419 N GLU A 98 -5.680 -9.474 -2.565 1.00 0.00 N ATOM 1420 CA GLU A 98 -4.756 -10.201 -1.650 1.00 0.00 C ATOM 1421 C GLU A 98 -3.828 -11.099 -2.471 1.00 0.00 C ATOM 1422 O GLU A 98 -2.657 -11.231 -2.176 1.00 0.00 O ATOM 1423 CB GLU A 98 -5.570 -11.061 -0.680 1.00 0.00 C ATOM 1424 CG GLU A 98 -4.649 -11.608 0.413 1.00 0.00 C ATOM 1425 CD GLU A 98 -5.066 -13.037 0.765 1.00 0.00 C ATOM 1426 OE1 GLU A 98 -5.954 -13.189 1.588 1.00 0.00 O ATOM 1427 OE2 GLU A 98 -4.490 -13.956 0.205 1.00 0.00 O ATOM 0 H GLU A 98 -6.659 -9.755 -2.508 1.00 0.00 H new ATOM 0 HA GLU A 98 -4.162 -9.481 -1.087 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.369 -10.468 -0.234 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -6.044 -11.883 -1.216 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -3.614 -11.594 0.072 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.702 -10.974 1.298 1.00 0.00 H new ATOM 1434 N GLU A 99 -4.340 -11.716 -3.500 1.00 0.00 N ATOM 1435 CA GLU A 99 -3.486 -12.605 -4.338 1.00 0.00 C ATOM 1436 C GLU A 99 -2.609 -11.756 -5.262 1.00 0.00 C ATOM 1437 O GLU A 99 -1.440 -12.032 -5.448 1.00 0.00 O ATOM 1438 CB GLU A 99 -4.377 -13.522 -5.179 1.00 0.00 C ATOM 1439 CG GLU A 99 -3.502 -14.452 -6.022 1.00 0.00 C ATOM 1440 CD GLU A 99 -3.907 -15.905 -5.768 1.00 0.00 C ATOM 1441 OE1 GLU A 99 -3.524 -16.434 -4.737 1.00 0.00 O ATOM 1442 OE2 GLU A 99 -4.593 -16.465 -6.608 1.00 0.00 O ATOM 0 H GLU A 99 -5.313 -11.643 -3.797 1.00 0.00 H new ATOM 0 HA GLU A 99 -2.849 -13.209 -3.692 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -5.029 -14.108 -4.531 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -5.022 -12.927 -5.826 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -3.612 -14.212 -7.080 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -2.451 -14.307 -5.770 1.00 0.00 H new ATOM 1449 N ASN A 100 -3.163 -10.728 -5.845 1.00 0.00 N ATOM 1450 CA ASN A 100 -2.361 -9.867 -6.759 1.00 0.00 C ATOM 1451 C ASN A 100 -1.254 -9.166 -5.968 1.00 0.00 C ATOM 1452 O ASN A 100 -0.214 -8.832 -6.500 1.00 0.00 O ATOM 1453 CB ASN A 100 -3.271 -8.816 -7.399 1.00 0.00 C ATOM 1454 CG ASN A 100 -4.408 -9.514 -8.149 1.00 0.00 C ATOM 1455 OD1 ASN A 100 -4.903 -10.534 -7.711 1.00 0.00 O ATOM 1456 ND2 ASN A 100 -4.844 -9.006 -9.268 1.00 0.00 N ATOM 0 H ASN A 100 -4.137 -10.447 -5.728 1.00 0.00 H new ATOM 0 HA ASN A 100 -1.914 -10.486 -7.537 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -3.678 -8.156 -6.632 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -2.698 -8.192 -8.085 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -5.600 -9.465 -9.776 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -4.429 -8.150 -9.636 1.00 0.00 H new ATOM 1463 N LEU A 101 -1.469 -8.937 -4.702 1.00 0.00 N ATOM 1464 CA LEU A 101 -0.428 -8.256 -3.882 1.00 0.00 C ATOM 1465 C LEU A 101 0.861 -9.080 -3.900 1.00 0.00 C ATOM 1466 O LEU A 101 1.891 -8.627 -4.355 1.00 0.00 O ATOM 1467 CB LEU A 101 -0.924 -8.114 -2.442 1.00 0.00 C ATOM 1468 CG LEU A 101 -0.317 -6.859 -1.816 1.00 0.00 C ATOM 1469 CD1 LEU A 101 -0.600 -6.847 -0.312 1.00 0.00 C ATOM 1470 CD2 LEU A 101 1.195 -6.855 -2.048 1.00 0.00 C ATOM 0 H LEU A 101 -2.320 -9.192 -4.200 1.00 0.00 H new ATOM 0 HA LEU A 101 -0.230 -7.268 -4.297 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -2.012 -8.052 -2.425 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -0.646 -8.994 -1.862 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.760 -5.975 -2.275 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -0.166 -5.951 0.133 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -1.677 -6.850 -0.144 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -0.158 -7.731 0.148 1.00 0.00 H new ATOM 0 HD21 LEU A 101 1.629 -5.960 -1.602 1.00 0.00 H new ATOM 0 HD22 LEU A 101 1.636 -7.740 -1.589 1.00 0.00 H new ATOM 0 HD23 LEU A 101 1.399 -6.862 -3.119 1.00 0.00 H new ATOM 1482 N LYS A 102 0.812 -10.288 -3.409 1.00 0.00 N ATOM 1483 CA LYS A 102 2.036 -11.138 -3.402 1.00 0.00 C ATOM 1484 C LYS A 102 2.458 -11.434 -4.842 1.00 0.00 C ATOM 1485 O LYS A 102 3.622 -11.640 -5.129 1.00 0.00 O ATOM 1486 CB LYS A 102 1.743 -12.452 -2.673 1.00 0.00 C ATOM 1487 CG LYS A 102 2.472 -12.463 -1.328 1.00 0.00 C ATOM 1488 CD LYS A 102 1.452 -12.585 -0.194 1.00 0.00 C ATOM 1489 CE LYS A 102 0.731 -11.248 -0.008 1.00 0.00 C ATOM 1490 NZ LYS A 102 -0.375 -11.414 0.978 1.00 0.00 N ATOM 0 H LYS A 102 -0.021 -10.723 -3.013 1.00 0.00 H new ATOM 0 HA LYS A 102 2.841 -10.612 -2.889 1.00 0.00 H new ATOM 0 HB2 LYS A 102 0.670 -12.563 -2.518 1.00 0.00 H new ATOM 0 HB3 LYS A 102 2.066 -13.297 -3.281 1.00 0.00 H new ATOM 0 HG2 LYS A 102 3.175 -13.296 -1.290 1.00 0.00 H new ATOM 0 HG3 LYS A 102 3.054 -11.549 -1.211 1.00 0.00 H new ATOM 0 HD2 LYS A 102 0.731 -13.370 -0.422 1.00 0.00 H new ATOM 0 HD3 LYS A 102 1.953 -12.871 0.731 1.00 0.00 H new ATOM 0 HE2 LYS A 102 1.432 -10.490 0.340 1.00 0.00 H new ATOM 0 HE3 LYS A 102 0.334 -10.901 -0.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -0.866 -10.506 1.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -1.048 -12.125 0.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 0.016 -11.727 1.889 1.00 0.00 H new ATOM 1504 N LEU A 103 1.521 -11.459 -5.751 1.00 0.00 N ATOM 1505 CA LEU A 103 1.866 -11.743 -7.172 1.00 0.00 C ATOM 1506 C LEU A 103 2.706 -10.594 -7.738 1.00 0.00 C ATOM 1507 O LEU A 103 3.517 -10.783 -8.623 1.00 0.00 O ATOM 1508 CB LEU A 103 0.579 -11.882 -7.989 1.00 0.00 C ATOM 1509 CG LEU A 103 0.648 -13.151 -8.840 1.00 0.00 C ATOM 1510 CD1 LEU A 103 0.334 -14.369 -7.970 1.00 0.00 C ATOM 1511 CD2 LEU A 103 -0.376 -13.058 -9.973 1.00 0.00 C ATOM 0 H LEU A 103 0.531 -11.295 -5.570 1.00 0.00 H new ATOM 0 HA LEU A 103 2.437 -12.670 -7.227 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -0.284 -11.924 -7.324 1.00 0.00 H new ATOM 0 HB3 LEU A 103 0.446 -11.009 -8.629 1.00 0.00 H new ATOM 0 HG LEU A 103 1.649 -13.253 -9.259 1.00 0.00 H new ATOM 0 HD11 LEU A 103 0.383 -15.273 -8.578 1.00 0.00 H new ATOM 0 HD12 LEU A 103 1.061 -14.435 -7.161 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -0.667 -14.268 -7.551 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -0.329 -13.961 -10.581 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -1.376 -12.956 -9.552 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.153 -12.190 -10.594 1.00 0.00 H new ATOM 1523 N PHE A 104 2.518 -9.403 -7.236 1.00 0.00 N ATOM 1524 CA PHE A 104 3.305 -8.245 -7.749 1.00 0.00 C ATOM 1525 C PHE A 104 4.733 -8.311 -7.202 1.00 0.00 C ATOM 1526 O PHE A 104 5.661 -7.807 -7.803 1.00 0.00 O ATOM 1527 CB PHE A 104 2.646 -6.942 -7.292 1.00 0.00 C ATOM 1528 CG PHE A 104 3.395 -5.766 -7.876 1.00 0.00 C ATOM 1529 CD1 PHE A 104 4.684 -5.460 -7.418 1.00 0.00 C ATOM 1530 CD2 PHE A 104 2.801 -4.984 -8.874 1.00 0.00 C ATOM 1531 CE1 PHE A 104 5.378 -4.370 -7.960 1.00 0.00 C ATOM 1532 CE2 PHE A 104 3.497 -3.894 -9.417 1.00 0.00 C ATOM 1533 CZ PHE A 104 4.785 -3.587 -8.959 1.00 0.00 C ATOM 0 H PHE A 104 1.854 -9.182 -6.494 1.00 0.00 H new ATOM 0 HA PHE A 104 3.333 -8.280 -8.838 1.00 0.00 H new ATOM 0 HB2 PHE A 104 1.604 -6.918 -7.611 1.00 0.00 H new ATOM 0 HB3 PHE A 104 2.648 -6.884 -6.204 1.00 0.00 H new ATOM 0 HD1 PHE A 104 5.142 -6.064 -6.648 1.00 0.00 H new ATOM 0 HD2 PHE A 104 1.807 -5.220 -9.226 1.00 0.00 H new ATOM 0 HE1 PHE A 104 6.371 -4.133 -7.607 1.00 0.00 H new ATOM 0 HE2 PHE A 104 3.040 -3.291 -10.188 1.00 0.00 H new ATOM 0 HZ PHE A 104 5.321 -2.747 -9.376 1.00 0.00 H new ATOM 1543 N THR A 105 4.917 -8.927 -6.068 1.00 0.00 N ATOM 1544 CA THR A 105 6.285 -9.019 -5.483 1.00 0.00 C ATOM 1545 C THR A 105 7.194 -9.821 -6.418 1.00 0.00 C ATOM 1546 O THR A 105 8.403 -9.722 -6.357 1.00 0.00 O ATOM 1547 CB THR A 105 6.214 -9.714 -4.121 1.00 0.00 C ATOM 1548 OG1 THR A 105 5.174 -9.130 -3.349 1.00 0.00 O ATOM 1549 CG2 THR A 105 7.548 -9.550 -3.393 1.00 0.00 C ATOM 0 H THR A 105 4.180 -9.371 -5.520 1.00 0.00 H new ATOM 0 HA THR A 105 6.691 -8.015 -5.359 1.00 0.00 H new ATOM 0 HB THR A 105 6.010 -10.775 -4.263 1.00 0.00 H new ATOM 0 HG1 THR A 105 5.399 -9.191 -2.397 1.00 0.00 H new ATOM 0 HG21 THR A 105 7.497 -10.045 -2.423 1.00 0.00 H new ATOM 0 HG22 THR A 105 8.344 -9.998 -3.987 1.00 0.00 H new ATOM 0 HG23 THR A 105 7.756 -8.490 -3.248 1.00 0.00 H new ATOM 1557 N GLU A 106 6.624 -10.613 -7.284 1.00 0.00 N ATOM 1558 CA GLU A 106 7.461 -11.418 -8.220 1.00 0.00 C ATOM 1559 C GLU A 106 7.424 -10.783 -9.611 1.00 0.00 C ATOM 1560 O GLU A 106 8.370 -10.869 -10.369 1.00 0.00 O ATOM 1561 CB GLU A 106 6.916 -12.846 -8.291 1.00 0.00 C ATOM 1562 CG GLU A 106 6.994 -13.490 -6.906 1.00 0.00 C ATOM 1563 CD GLU A 106 7.319 -14.978 -7.052 1.00 0.00 C ATOM 1564 OE1 GLU A 106 6.413 -15.734 -7.360 1.00 0.00 O ATOM 1565 OE2 GLU A 106 8.468 -15.336 -6.853 1.00 0.00 O ATOM 0 H GLU A 106 5.617 -10.738 -7.384 1.00 0.00 H new ATOM 0 HA GLU A 106 8.490 -11.442 -7.861 1.00 0.00 H new ATOM 0 HB2 GLU A 106 5.884 -12.836 -8.642 1.00 0.00 H new ATOM 0 HB3 GLU A 106 7.491 -13.431 -9.009 1.00 0.00 H new ATOM 0 HG2 GLU A 106 7.759 -12.997 -6.307 1.00 0.00 H new ATOM 0 HG3 GLU A 106 6.047 -13.364 -6.381 1.00 0.00 H new ATOM 1572 N GLY A 107 6.340 -10.142 -9.954 1.00 0.00 N ATOM 1573 CA GLY A 107 6.246 -9.500 -11.295 1.00 0.00 C ATOM 1574 C GLY A 107 5.715 -10.509 -12.315 1.00 0.00 C ATOM 1575 O GLY A 107 6.190 -10.587 -13.430 1.00 0.00 O ATOM 0 H GLY A 107 5.515 -10.035 -9.363 1.00 0.00 H new ATOM 0 HA2 GLY A 107 5.586 -8.634 -11.249 1.00 0.00 H new ATOM 0 HA3 GLY A 107 7.226 -9.137 -11.605 1.00 0.00 H new ATOM 1579 N ASN A 108 4.731 -11.282 -11.943 1.00 0.00 N ATOM 1580 CA ASN A 108 4.169 -12.282 -12.895 1.00 0.00 C ATOM 1581 C ASN A 108 2.942 -11.687 -13.588 1.00 0.00 C ATOM 1582 O ASN A 108 2.531 -12.135 -14.640 1.00 0.00 O ATOM 1583 CB ASN A 108 3.765 -13.544 -12.132 1.00 0.00 C ATOM 1584 CG ASN A 108 4.958 -14.500 -12.060 1.00 0.00 C ATOM 1585 OD1 ASN A 108 5.725 -14.604 -12.998 1.00 0.00 O ATOM 1586 ND2 ASN A 108 5.148 -15.207 -10.980 1.00 0.00 N ATOM 0 H ASN A 108 4.293 -11.264 -11.022 1.00 0.00 H new ATOM 0 HA ASN A 108 4.921 -12.538 -13.642 1.00 0.00 H new ATOM 0 HB2 ASN A 108 3.433 -13.284 -11.127 1.00 0.00 H new ATOM 0 HB3 ASN A 108 2.926 -14.030 -12.629 1.00 0.00 H new ATOM 0 HD21 ASN A 108 5.940 -15.847 -10.922 1.00 0.00 H new ATOM 0 HD22 ASN A 108 4.505 -15.120 -10.193 1.00 0.00 H new ATOM 1593 N LEU A 109 2.359 -10.677 -13.006 1.00 0.00 N ATOM 1594 CA LEU A 109 1.161 -10.044 -13.626 1.00 0.00 C ATOM 1595 C LEU A 109 1.392 -8.536 -13.732 1.00 0.00 C ATOM 1596 O LEU A 109 1.994 -7.931 -12.867 1.00 0.00 O ATOM 1597 CB LEU A 109 -0.067 -10.312 -12.752 1.00 0.00 C ATOM 1598 CG LEU A 109 -1.249 -10.701 -13.639 1.00 0.00 C ATOM 1599 CD1 LEU A 109 -1.461 -12.214 -13.573 1.00 0.00 C ATOM 1600 CD2 LEU A 109 -2.511 -9.989 -13.144 1.00 0.00 C ATOM 0 H LEU A 109 2.661 -10.261 -12.125 1.00 0.00 H new ATOM 0 HA LEU A 109 0.996 -10.462 -14.619 1.00 0.00 H new ATOM 0 HB2 LEU A 109 0.146 -11.111 -12.042 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.313 -9.424 -12.169 1.00 0.00 H new ATOM 0 HG LEU A 109 -1.043 -10.408 -14.668 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -2.304 -12.491 -14.206 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -0.563 -12.723 -13.922 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -1.668 -12.508 -12.544 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.356 -10.265 -13.775 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -2.715 -10.284 -12.115 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -2.362 -8.910 -13.189 1.00 0.00 H new ATOM 1612 N GLU A 110 0.926 -7.922 -14.786 1.00 0.00 N ATOM 1613 CA GLU A 110 1.134 -6.454 -14.933 1.00 0.00 C ATOM 1614 C GLU A 110 0.344 -5.934 -16.137 1.00 0.00 C ATOM 1615 O GLU A 110 -0.620 -6.537 -16.568 1.00 0.00 O ATOM 1616 CB GLU A 110 2.625 -6.177 -15.143 1.00 0.00 C ATOM 1617 CG GLU A 110 3.085 -6.824 -16.452 1.00 0.00 C ATOM 1618 CD GLU A 110 4.558 -7.218 -16.336 1.00 0.00 C ATOM 1619 OE1 GLU A 110 5.386 -6.325 -16.262 1.00 0.00 O ATOM 1620 OE2 GLU A 110 4.834 -8.407 -16.325 1.00 0.00 O ATOM 0 H GLU A 110 0.414 -8.370 -15.546 1.00 0.00 H new ATOM 0 HA GLU A 110 0.787 -5.947 -14.033 1.00 0.00 H new ATOM 0 HB2 GLU A 110 2.805 -5.102 -15.173 1.00 0.00 H new ATOM 0 HB3 GLU A 110 3.201 -6.574 -14.307 1.00 0.00 H new ATOM 0 HG2 GLU A 110 2.478 -7.703 -16.668 1.00 0.00 H new ATOM 0 HG3 GLU A 110 2.947 -6.130 -17.281 1.00 0.00 H new ATOM 1627 N GLU A 111 0.746 -4.818 -16.681 1.00 0.00 N ATOM 1628 CA GLU A 111 0.026 -4.252 -17.855 1.00 0.00 C ATOM 1629 C GLU A 111 0.953 -3.298 -18.606 1.00 0.00 C ATOM 1630 O GLU A 111 1.846 -3.714 -19.318 1.00 0.00 O ATOM 1631 CB GLU A 111 -1.233 -3.520 -17.382 1.00 0.00 C ATOM 1632 CG GLU A 111 -1.912 -2.846 -18.577 1.00 0.00 C ATOM 1633 CD GLU A 111 -3.408 -3.164 -18.562 1.00 0.00 C ATOM 1634 OE1 GLU A 111 -3.972 -3.218 -17.481 1.00 0.00 O ATOM 1635 OE2 GLU A 111 -3.966 -3.349 -19.632 1.00 0.00 O ATOM 0 H GLU A 111 1.546 -4.272 -16.361 1.00 0.00 H new ATOM 0 HA GLU A 111 -0.272 -5.055 -18.529 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -1.919 -4.223 -16.909 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -0.972 -2.775 -16.630 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -1.758 -1.768 -18.535 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -1.465 -3.196 -19.507 1.00 0.00 H new ATOM 1642 N ILE A 112 0.749 -2.030 -18.457 1.00 0.00 N ATOM 1643 CA ILE A 112 1.616 -1.044 -19.163 1.00 0.00 C ATOM 1644 C ILE A 112 2.773 -0.632 -18.250 1.00 0.00 C ATOM 1645 O ILE A 112 2.583 0.032 -17.250 1.00 0.00 O ATOM 1646 CB ILE A 112 0.792 0.192 -19.531 1.00 0.00 C ATOM 1647 CG1 ILE A 112 -0.332 -0.214 -20.487 1.00 0.00 C ATOM 1648 CG2 ILE A 112 1.692 1.223 -20.213 1.00 0.00 C ATOM 1649 CD1 ILE A 112 0.271 -0.773 -21.776 1.00 0.00 C ATOM 0 H ILE A 112 0.017 -1.624 -17.875 1.00 0.00 H new ATOM 0 HA ILE A 112 2.014 -1.498 -20.070 1.00 0.00 H new ATOM 0 HB ILE A 112 0.365 0.626 -18.627 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -0.970 -0.962 -20.017 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -0.962 0.647 -20.711 1.00 0.00 H new ATOM 0 HG21 ILE A 112 1.104 2.103 -20.475 1.00 0.00 H new ATOM 0 HG22 ILE A 112 2.494 1.512 -19.534 1.00 0.00 H new ATOM 0 HG23 ILE A 112 2.120 0.791 -21.117 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -0.530 -1.062 -22.457 1.00 0.00 H new ATOM 0 HD12 ILE A 112 0.891 -0.011 -22.248 1.00 0.00 H new ATOM 0 HD13 ILE A 112 0.882 -1.645 -21.543 1.00 0.00 H new ATOM 1661 N ARG A 113 3.971 -1.023 -18.587 1.00 0.00 N ATOM 1662 CA ARG A 113 5.143 -0.655 -17.742 1.00 0.00 C ATOM 1663 C ARG A 113 6.236 -0.047 -18.624 1.00 0.00 C ATOM 1664 O ARG A 113 6.955 0.842 -18.214 1.00 0.00 O ATOM 1665 CB ARG A 113 5.683 -1.905 -17.042 1.00 0.00 C ATOM 1666 CG ARG A 113 6.371 -2.810 -18.067 1.00 0.00 C ATOM 1667 CD ARG A 113 7.088 -3.950 -17.340 1.00 0.00 C ATOM 1668 NE ARG A 113 8.537 -3.931 -17.692 1.00 0.00 N ATOM 1669 CZ ARG A 113 9.139 -5.037 -18.038 1.00 0.00 C ATOM 1670 NH1 ARG A 113 8.863 -5.599 -19.183 1.00 0.00 N ATOM 1671 NH2 ARG A 113 10.017 -5.579 -17.239 1.00 0.00 N ATOM 0 H ARG A 113 4.190 -1.582 -19.412 1.00 0.00 H new ATOM 0 HA ARG A 113 4.836 0.074 -16.992 1.00 0.00 H new ATOM 0 HB2 ARG A 113 6.388 -1.621 -16.261 1.00 0.00 H new ATOM 0 HB3 ARG A 113 4.869 -2.442 -16.556 1.00 0.00 H new ATOM 0 HG2 ARG A 113 5.636 -3.214 -18.763 1.00 0.00 H new ATOM 0 HG3 ARG A 113 7.085 -2.234 -18.656 1.00 0.00 H new ATOM 0 HD2 ARG A 113 6.963 -3.844 -16.262 1.00 0.00 H new ATOM 0 HD3 ARG A 113 6.648 -4.907 -17.619 1.00 0.00 H new ATOM 0 HE ARG A 113 9.058 -3.054 -17.663 1.00 0.00 H new ATOM 0 HH11 ARG A 113 8.177 -5.174 -19.807 1.00 0.00 H new ATOM 0 HH12 ARG A 113 9.333 -6.463 -19.454 1.00 0.00 H new ATOM 0 HH21 ARG A 113 10.233 -5.139 -16.345 1.00 0.00 H new ATOM 0 HH22 ARG A 113 10.487 -6.443 -17.509 1.00 0.00 H new