USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 465 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 1 THR OG1 : rot 180:sc= -0.106 USER MOD Set 1.2: A 3 TYR OH : rot 180:sc= -0.702 USER MOD Single : A 1 THR N :NH3+ -173:sc= 1.27 (180deg=1.15) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -155:sc= -0.392 (180deg=-1.6!) USER MOD Single : A 8 ASN : amide:sc= -0.0109 K(o=-0.011,f=-1.8!) USER MOD Single : A 10 LYS NZ :NH3+ 156:sc= -0.0318 (180deg=-0.306) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 144:sc= -0.271 (180deg=-1.63!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 160:sc= -0.0187 (180deg=-0.155) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.146 X(o=-0.15,f=-0.0065) USER MOD Single : A 37 LYS NZ :NH3+ 139:sc= -1.93 (180deg=-2.95!) USER MOD Single : A 38 THR OG1 : rot -44:sc= 0.214 USER MOD Single : A 44 THR OG1 : rot 180:sc=-0.00357 USER MOD Single : A 45 TYR OH : rot 113:sc= -1.08 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0171) USER MOD Single : A 51 THR OG1 : rot 180:sc= -1.02 USER MOD Single : A 53 THR OG1 : rot -160:sc= -1.13 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 5.238 -13.955 5.104 1.00 0.00 N ATOM 2 CA THR A 1 4.441 -13.425 3.967 1.00 0.00 C ATOM 3 C THR A 1 4.999 -12.092 3.476 1.00 0.00 C ATOM 4 O THR A 1 5.691 -11.389 4.213 1.00 0.00 O ATOM 5 CB THR A 1 2.992 -13.254 4.424 1.00 0.00 C ATOM 6 OG1 THR A 1 2.940 -12.798 5.765 1.00 0.00 O ATOM 7 CG2 THR A 1 2.184 -14.532 4.342 1.00 0.00 C ATOM 0 H1 THR A 1 4.911 -14.914 5.340 1.00 0.00 H new ATOM 0 H2 THR A 1 6.243 -13.987 4.838 1.00 0.00 H new ATOM 0 H3 THR A 1 5.118 -13.335 5.931 1.00 0.00 H new ATOM 0 HA THR A 1 4.492 -14.129 3.136 1.00 0.00 H new ATOM 0 HB THR A 1 2.557 -12.524 3.741 1.00 0.00 H new ATOM 0 HG1 THR A 1 2.005 -12.693 6.039 1.00 0.00 H new ATOM 0 HG21 THR A 1 1.166 -14.341 4.681 1.00 0.00 H new ATOM 0 HG22 THR A 1 2.163 -14.884 3.311 1.00 0.00 H new ATOM 0 HG23 THR A 1 2.640 -15.292 4.976 1.00 0.00 H new ATOM 17 N THR A 2 4.692 -11.752 2.230 1.00 0.00 N ATOM 18 CA THR A 2 5.163 -10.503 1.641 1.00 0.00 C ATOM 19 C THR A 2 4.010 -9.733 1.005 1.00 0.00 C ATOM 20 O THR A 2 3.350 -10.225 0.090 1.00 0.00 O ATOM 21 CB THR A 2 6.243 -10.783 0.595 1.00 0.00 C ATOM 22 OG1 THR A 2 6.866 -12.032 0.838 1.00 0.00 O ATOM 23 CG2 THR A 2 7.329 -9.729 0.556 1.00 0.00 C ATOM 0 H THR A 2 4.120 -12.323 1.608 1.00 0.00 H new ATOM 0 HA THR A 2 5.589 -9.893 2.437 1.00 0.00 H new ATOM 0 HB THR A 2 5.723 -10.780 -0.363 1.00 0.00 H new ATOM 0 HG1 THR A 2 7.552 -12.193 0.157 1.00 0.00 H new ATOM 0 HG21 THR A 2 8.062 -9.990 -0.207 1.00 0.00 H new ATOM 0 HG22 THR A 2 6.888 -8.761 0.320 1.00 0.00 H new ATOM 0 HG23 THR A 2 7.820 -9.677 1.528 1.00 0.00 H new ATOM 31 N TYR A 3 3.773 -8.520 1.496 1.00 0.00 N ATOM 32 CA TYR A 3 2.699 -7.681 0.977 1.00 0.00 C ATOM 33 C TYR A 3 3.262 -6.416 0.334 1.00 0.00 C ATOM 34 O TYR A 3 4.310 -5.916 0.742 1.00 0.00 O ATOM 35 CB TYR A 3 1.726 -7.312 2.097 1.00 0.00 C ATOM 36 CG TYR A 3 1.136 -8.513 2.802 1.00 0.00 C ATOM 37 CD1 TYR A 3 1.877 -9.225 3.738 1.00 0.00 C ATOM 38 CD2 TYR A 3 -0.160 -8.935 2.531 1.00 0.00 C ATOM 39 CE1 TYR A 3 1.341 -10.323 4.384 1.00 0.00 C ATOM 40 CE2 TYR A 3 -0.701 -10.031 3.175 1.00 0.00 C ATOM 41 CZ TYR A 3 0.053 -10.721 4.099 1.00 0.00 C ATOM 42 OH TYR A 3 -0.482 -11.814 4.742 1.00 0.00 O ATOM 0 H TYR A 3 4.311 -8.097 2.252 1.00 0.00 H new ATOM 0 HA TYR A 3 2.163 -8.246 0.214 1.00 0.00 H new ATOM 0 HB2 TYR A 3 2.244 -6.690 2.827 1.00 0.00 H new ATOM 0 HB3 TYR A 3 0.917 -6.711 1.682 1.00 0.00 H new ATOM 0 HD1 TYR A 3 2.887 -8.916 3.964 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -0.753 -8.398 1.806 1.00 0.00 H new ATOM 0 HE1 TYR A 3 1.929 -10.866 5.109 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -1.711 -10.346 2.955 1.00 0.00 H new ATOM 0 HH TYR A 3 -1.399 -11.961 4.429 1.00 0.00 H new ATOM 52 N LYS A 4 2.562 -5.904 -0.675 1.00 0.00 N ATOM 53 CA LYS A 4 3.001 -4.699 -1.371 1.00 0.00 C ATOM 54 C LYS A 4 1.848 -3.721 -1.558 1.00 0.00 C ATOM 55 O LYS A 4 0.690 -4.121 -1.679 1.00 0.00 O ATOM 56 CB LYS A 4 3.606 -5.062 -2.727 1.00 0.00 C ATOM 57 CG LYS A 4 4.756 -6.054 -2.632 1.00 0.00 C ATOM 58 CD LYS A 4 4.377 -7.409 -3.207 1.00 0.00 C ATOM 59 CE LYS A 4 5.564 -8.359 -3.228 1.00 0.00 C ATOM 60 NZ LYS A 4 5.654 -9.106 -4.512 1.00 0.00 N ATOM 0 H LYS A 4 1.692 -6.303 -1.027 1.00 0.00 H new ATOM 0 HA LYS A 4 3.762 -4.215 -0.759 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.827 -5.481 -3.363 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.960 -4.153 -3.213 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.621 -5.661 -3.166 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.051 -6.171 -1.589 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.572 -7.844 -2.615 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.994 -7.281 -4.220 1.00 0.00 H new ATOM 0 HE2 LYS A 4 6.483 -7.795 -3.071 1.00 0.00 H new ATOM 0 HE3 LYS A 4 5.478 -9.065 -2.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 6.163 -10.000 -4.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 4.696 -9.309 -4.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 6.165 -8.532 -5.212 1.00 0.00 H new ATOM 74 N LEU A 5 2.179 -2.435 -1.570 1.00 0.00 N ATOM 75 CA LEU A 5 1.182 -1.390 -1.731 1.00 0.00 C ATOM 76 C LEU A 5 1.528 -0.474 -2.903 1.00 0.00 C ATOM 77 O LEU A 5 2.596 0.136 -2.933 1.00 0.00 O ATOM 78 CB LEU A 5 1.073 -0.582 -0.432 1.00 0.00 C ATOM 79 CG LEU A 5 0.528 0.844 -0.584 1.00 0.00 C ATOM 80 CD1 LEU A 5 -0.756 0.840 -1.399 1.00 0.00 C ATOM 81 CD2 LEU A 5 0.292 1.475 0.781 1.00 0.00 C ATOM 0 H LEU A 5 3.135 -2.093 -1.470 1.00 0.00 H new ATOM 0 HA LEU A 5 0.221 -1.856 -1.948 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.430 -1.126 0.261 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.061 -0.528 0.025 1.00 0.00 H new ATOM 0 HG LEU A 5 1.270 1.441 -1.114 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -1.128 1.860 -1.497 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.557 0.430 -2.389 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.504 0.227 -0.896 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -0.094 2.486 0.653 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.431 0.878 1.338 1.00 0.00 H new ATOM 0 HD23 LEU A 5 1.232 1.513 1.332 1.00 0.00 H new ATOM 93 N ILE A 6 0.614 -0.381 -3.865 1.00 0.00 N ATOM 94 CA ILE A 6 0.819 0.462 -5.035 1.00 0.00 C ATOM 95 C ILE A 6 0.063 1.781 -4.894 1.00 0.00 C ATOM 96 O ILE A 6 -1.167 1.802 -4.834 1.00 0.00 O ATOM 97 CB ILE A 6 0.373 -0.251 -6.332 1.00 0.00 C ATOM 98 CG1 ILE A 6 1.212 -1.511 -6.557 1.00 0.00 C ATOM 99 CG2 ILE A 6 0.489 0.682 -7.529 1.00 0.00 C ATOM 100 CD1 ILE A 6 0.919 -2.625 -5.574 1.00 0.00 C ATOM 0 H ILE A 6 -0.276 -0.880 -3.856 1.00 0.00 H new ATOM 0 HA ILE A 6 1.888 0.666 -5.100 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.673 -0.538 -6.224 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.037 -1.877 -7.569 1.00 0.00 H new ATOM 0 HG13 ILE A 6 2.268 -1.249 -6.491 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.170 0.159 -8.430 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.145 1.555 -7.373 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.525 1.001 -7.642 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.552 -3.484 -5.798 1.00 0.00 H new ATOM 0 HD12 ILE A 6 1.122 -2.279 -4.561 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.128 -2.916 -5.655 1.00 0.00 H new ATOM 112 N LEU A 7 0.808 2.880 -4.833 1.00 0.00 N ATOM 113 CA LEU A 7 0.213 4.203 -4.692 1.00 0.00 C ATOM 114 C LEU A 7 0.156 4.921 -6.037 1.00 0.00 C ATOM 115 O LEU A 7 1.172 5.064 -6.719 1.00 0.00 O ATOM 116 CB LEU A 7 1.010 5.040 -3.691 1.00 0.00 C ATOM 117 CG LEU A 7 1.431 4.302 -2.418 1.00 0.00 C ATOM 118 CD1 LEU A 7 2.802 4.769 -1.956 1.00 0.00 C ATOM 119 CD2 LEU A 7 0.398 4.505 -1.320 1.00 0.00 C ATOM 0 H LEU A 7 1.827 2.880 -4.879 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.805 4.077 -4.323 1.00 0.00 H new ATOM 0 HB2 LEU A 7 1.905 5.417 -4.187 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.413 5.907 -3.409 1.00 0.00 H new ATOM 0 HG LEU A 7 1.491 3.237 -2.642 1.00 0.00 H new ATOM 0 HD11 LEU A 7 3.083 4.232 -1.050 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.536 4.571 -2.737 1.00 0.00 H new ATOM 0 HD13 LEU A 7 2.771 5.839 -1.749 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.713 3.974 -0.422 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.306 5.568 -1.099 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.566 4.119 -1.651 1.00 0.00 H new ATOM 131 N ASN A 8 -1.037 5.371 -6.411 1.00 0.00 N ATOM 132 CA ASN A 8 -1.228 6.076 -7.674 1.00 0.00 C ATOM 133 C ASN A 8 -1.904 7.424 -7.446 1.00 0.00 C ATOM 134 O ASN A 8 -3.119 7.495 -7.254 1.00 0.00 O ATOM 135 CB ASN A 8 -2.064 5.227 -8.634 1.00 0.00 C ATOM 136 CG ASN A 8 -1.949 5.715 -10.076 1.00 0.00 C ATOM 137 OD1 ASN A 8 -1.243 6.681 -10.345 1.00 0.00 O ATOM 138 ND2 ASN A 8 -2.635 5.054 -11.019 1.00 0.00 N ATOM 0 H ASN A 8 -1.887 5.260 -5.858 1.00 0.00 H new ATOM 0 HA ASN A 8 -0.248 6.252 -8.117 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -1.740 4.188 -8.576 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -3.109 5.252 -8.325 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -2.578 5.351 -11.993 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -3.213 4.254 -10.762 1.00 0.00 H new ATOM 145 N LEU A 9 -1.112 8.483 -7.465 1.00 0.00 N ATOM 146 CA LEU A 9 -1.634 9.827 -7.260 1.00 0.00 C ATOM 147 C LEU A 9 -1.667 10.611 -8.575 1.00 0.00 C ATOM 148 O LEU A 9 -1.270 10.096 -9.621 1.00 0.00 O ATOM 149 CB LEU A 9 -0.784 10.581 -6.233 1.00 0.00 C ATOM 150 CG LEU A 9 -0.708 9.917 -4.853 1.00 0.00 C ATOM 151 CD1 LEU A 9 0.736 9.825 -4.382 1.00 0.00 C ATOM 152 CD2 LEU A 9 -1.551 10.681 -3.845 1.00 0.00 C ATOM 0 H LEU A 9 -0.105 8.440 -7.620 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.653 9.734 -6.884 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.227 10.687 -6.626 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.188 11.587 -6.116 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.106 8.906 -4.937 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.769 9.351 -3.401 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.313 9.232 -5.091 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.162 10.826 -4.316 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.484 10.195 -2.872 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.184 11.704 -3.765 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.590 10.693 -4.174 1.00 0.00 H new ATOM 164 N LYS A 10 -2.145 11.844 -8.510 1.00 0.00 N ATOM 165 CA LYS A 10 -2.233 12.693 -9.694 1.00 0.00 C ATOM 166 C LYS A 10 -0.872 12.835 -10.377 1.00 0.00 C ATOM 167 O LYS A 10 -0.759 12.693 -11.593 1.00 0.00 O ATOM 168 CB LYS A 10 -2.764 14.081 -9.319 1.00 0.00 C ATOM 169 CG LYS A 10 -3.312 14.866 -10.501 1.00 0.00 C ATOM 170 CD LYS A 10 -3.623 16.302 -10.117 1.00 0.00 C ATOM 171 CE LYS A 10 -2.531 17.250 -10.581 1.00 0.00 C ATOM 172 NZ LYS A 10 -2.478 17.353 -12.065 1.00 0.00 N ATOM 0 H LYS A 10 -2.479 12.282 -7.651 1.00 0.00 H new ATOM 0 HA LYS A 10 -2.923 12.217 -10.390 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.550 13.970 -8.572 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.962 14.654 -8.854 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.587 14.854 -11.315 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.216 14.383 -10.872 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.575 16.599 -10.556 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.734 16.375 -9.035 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.703 18.238 -10.155 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.567 16.905 -10.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.043 18.258 -12.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.912 16.569 -12.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.442 17.304 -12.451 1.00 0.00 H new ATOM 186 N GLN A 11 0.159 13.098 -9.580 1.00 0.00 N ATOM 187 CA GLN A 11 1.510 13.244 -10.102 1.00 0.00 C ATOM 188 C GLN A 11 2.544 12.768 -9.084 1.00 0.00 C ATOM 189 O GLN A 11 3.423 13.524 -8.672 1.00 0.00 O ATOM 190 CB GLN A 11 1.772 14.703 -10.480 1.00 0.00 C ATOM 191 CG GLN A 11 1.556 15.001 -11.964 1.00 0.00 C ATOM 192 CD GLN A 11 2.795 15.560 -12.636 1.00 0.00 C ATOM 193 OE1 GLN A 11 3.016 16.767 -12.648 1.00 0.00 O ATOM 194 NE2 GLN A 11 3.612 14.677 -13.198 1.00 0.00 N ATOM 0 H GLN A 11 0.083 13.214 -8.570 1.00 0.00 H new ATOM 0 HA GLN A 11 1.601 12.623 -10.993 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.118 15.345 -9.890 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.797 14.960 -10.212 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.253 14.086 -12.473 1.00 0.00 H new ATOM 0 HG3 GLN A 11 0.737 15.712 -12.072 1.00 0.00 H new ATOM 0 HE21 GLN A 11 3.389 13.682 -13.164 1.00 0.00 H new ATOM 0 HE22 GLN A 11 4.463 14.993 -13.663 1.00 0.00 H new ATOM 203 N ALA A 12 2.430 11.506 -8.682 1.00 0.00 N ATOM 204 CA ALA A 12 3.354 10.925 -7.711 1.00 0.00 C ATOM 205 C ALA A 12 3.047 9.455 -7.475 1.00 0.00 C ATOM 206 O ALA A 12 2.367 9.095 -6.510 1.00 0.00 O ATOM 207 CB ALA A 12 3.297 11.703 -6.404 1.00 0.00 C ATOM 0 H ALA A 12 1.708 10.866 -9.013 1.00 0.00 H new ATOM 0 HA ALA A 12 4.364 10.992 -8.116 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.989 11.262 -5.687 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.576 12.741 -6.586 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.285 11.664 -6.001 1.00 0.00 H new ATOM 213 N LYS A 13 3.552 8.600 -8.357 1.00 0.00 N ATOM 214 CA LYS A 13 3.333 7.162 -8.243 1.00 0.00 C ATOM 215 C LYS A 13 4.526 6.486 -7.579 1.00 0.00 C ATOM 216 O LYS A 13 5.648 6.543 -8.077 1.00 0.00 O ATOM 217 CB LYS A 13 3.087 6.550 -9.623 1.00 0.00 C ATOM 218 CG LYS A 13 2.817 5.061 -9.590 1.00 0.00 C ATOM 219 CD LYS A 13 2.028 4.609 -10.809 1.00 0.00 C ATOM 220 CE LYS A 13 2.945 4.090 -11.904 1.00 0.00 C ATOM 221 NZ LYS A 13 3.388 2.693 -11.642 1.00 0.00 N ATOM 0 H LYS A 13 4.117 8.878 -9.160 1.00 0.00 H new ATOM 0 HA LYS A 13 2.452 7.000 -7.622 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.239 7.054 -10.088 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.955 6.739 -10.254 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.762 4.520 -9.546 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.264 4.811 -8.685 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.326 3.827 -10.520 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.438 5.442 -11.191 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.427 4.133 -12.862 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.817 4.738 -11.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.012 2.376 -12.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.905 2.656 -10.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.557 2.069 -11.591 1.00 0.00 H new ATOM 235 N GLU A 14 4.274 5.835 -6.448 1.00 0.00 N ATOM 236 CA GLU A 14 5.327 5.142 -5.714 1.00 0.00 C ATOM 237 C GLU A 14 4.865 3.755 -5.281 1.00 0.00 C ATOM 238 O GLU A 14 3.708 3.565 -4.906 1.00 0.00 O ATOM 239 CB GLU A 14 5.746 5.960 -4.490 1.00 0.00 C ATOM 240 CG GLU A 14 6.983 5.418 -3.792 1.00 0.00 C ATOM 241 CD GLU A 14 8.269 5.989 -4.361 1.00 0.00 C ATOM 242 OE1 GLU A 14 8.562 5.725 -5.546 1.00 0.00 O ATOM 243 OE2 GLU A 14 8.980 6.700 -3.622 1.00 0.00 O ATOM 0 H GLU A 14 3.350 5.773 -6.020 1.00 0.00 H new ATOM 0 HA GLU A 14 6.185 5.028 -6.377 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.934 6.989 -4.797 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.920 5.985 -3.780 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.926 5.649 -2.728 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.000 4.332 -3.882 1.00 0.00 H new ATOM 250 N GLU A 15 5.775 2.789 -5.335 1.00 0.00 N ATOM 251 CA GLU A 15 5.457 1.418 -4.949 1.00 0.00 C ATOM 252 C GLU A 15 6.019 1.090 -3.572 1.00 0.00 C ATOM 253 O GLU A 15 7.194 1.330 -3.293 1.00 0.00 O ATOM 254 CB GLU A 15 6.010 0.432 -5.979 1.00 0.00 C ATOM 255 CG GLU A 15 5.164 0.329 -7.237 1.00 0.00 C ATOM 256 CD GLU A 15 5.713 -0.680 -8.228 1.00 0.00 C ATOM 257 OE1 GLU A 15 6.572 -0.298 -9.050 1.00 0.00 O ATOM 258 OE2 GLU A 15 5.283 -1.852 -8.181 1.00 0.00 O ATOM 0 H GLU A 15 6.738 2.929 -5.642 1.00 0.00 H new ATOM 0 HA GLU A 15 4.371 1.327 -4.910 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.020 0.735 -6.254 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.087 -0.554 -5.521 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.147 0.048 -6.964 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.108 1.308 -7.714 1.00 0.00 H new ATOM 265 N ALA A 16 5.171 0.528 -2.716 1.00 0.00 N ATOM 266 CA ALA A 16 5.579 0.152 -1.370 1.00 0.00 C ATOM 267 C ALA A 16 5.642 -1.364 -1.236 1.00 0.00 C ATOM 268 O ALA A 16 4.795 -2.078 -1.775 1.00 0.00 O ATOM 269 CB ALA A 16 4.623 0.738 -0.343 1.00 0.00 C ATOM 0 H ALA A 16 4.196 0.323 -2.933 1.00 0.00 H new ATOM 0 HA ALA A 16 6.575 0.555 -1.185 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.942 0.448 0.658 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.624 1.825 -0.423 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.617 0.362 -0.527 1.00 0.00 H new ATOM 275 N ILE A 17 6.648 -1.856 -0.520 1.00 0.00 N ATOM 276 CA ILE A 17 6.807 -3.294 -0.328 1.00 0.00 C ATOM 277 C ILE A 17 7.515 -3.609 0.981 1.00 0.00 C ATOM 278 O ILE A 17 8.357 -2.842 1.449 1.00 0.00 O ATOM 279 CB ILE A 17 7.566 -3.948 -1.508 1.00 0.00 C ATOM 280 CG1 ILE A 17 9.052 -3.566 -1.500 1.00 0.00 C ATOM 281 CG2 ILE A 17 6.926 -3.549 -2.830 1.00 0.00 C ATOM 282 CD1 ILE A 17 9.926 -4.539 -2.264 1.00 0.00 C ATOM 0 H ILE A 17 7.361 -1.285 -0.066 1.00 0.00 H new ATOM 0 HA ILE A 17 5.803 -3.716 -0.288 1.00 0.00 H new ATOM 0 HB ILE A 17 7.499 -5.030 -1.391 1.00 0.00 H new ATOM 0 HG12 ILE A 17 9.166 -2.571 -1.930 1.00 0.00 H new ATOM 0 HG13 ILE A 17 9.400 -3.509 -0.468 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.469 -4.015 -3.652 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.888 -3.880 -2.846 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.963 -2.465 -2.939 1.00 0.00 H new ATOM 0 HD11 ILE A 17 10.964 -4.209 -2.218 1.00 0.00 H new ATOM 0 HD12 ILE A 17 9.840 -5.531 -1.820 1.00 0.00 H new ATOM 0 HD13 ILE A 17 9.604 -4.578 -3.304 1.00 0.00 H new ATOM 294 N LYS A 18 7.154 -4.742 1.572 1.00 0.00 N ATOM 295 CA LYS A 18 7.738 -5.166 2.835 1.00 0.00 C ATOM 296 C LYS A 18 7.355 -6.612 3.144 1.00 0.00 C ATOM 297 O LYS A 18 6.221 -7.027 2.906 1.00 0.00 O ATOM 298 CB LYS A 18 7.269 -4.227 3.951 1.00 0.00 C ATOM 299 CG LYS A 18 7.473 -4.775 5.359 1.00 0.00 C ATOM 300 CD LYS A 18 8.269 -3.811 6.224 1.00 0.00 C ATOM 301 CE LYS A 18 9.059 -4.545 7.294 1.00 0.00 C ATOM 302 NZ LYS A 18 9.840 -5.677 6.727 1.00 0.00 N ATOM 0 H LYS A 18 6.457 -5.384 1.194 1.00 0.00 H new ATOM 0 HA LYS A 18 8.825 -5.118 2.764 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.802 -3.280 3.861 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.210 -4.011 3.807 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.504 -4.964 5.821 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.993 -5.732 5.306 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.951 -3.236 5.597 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.591 -3.099 6.695 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.736 -3.848 7.788 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.376 -4.920 8.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.747 -5.759 7.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.302 -6.560 6.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.018 -5.504 5.717 1.00 0.00 H new ATOM 316 N GLU A 19 8.306 -7.371 3.677 1.00 0.00 N ATOM 317 CA GLU A 19 8.066 -8.768 4.019 1.00 0.00 C ATOM 318 C GLU A 19 7.906 -8.940 5.526 1.00 0.00 C ATOM 319 O GLU A 19 8.806 -8.625 6.296 1.00 0.00 O ATOM 320 CB GLU A 19 9.207 -9.641 3.513 1.00 0.00 C ATOM 321 CG GLU A 19 8.806 -11.086 3.256 1.00 0.00 C ATOM 322 CD GLU A 19 9.190 -12.008 4.401 1.00 0.00 C ATOM 323 OE1 GLU A 19 9.218 -11.537 5.557 1.00 0.00 O ATOM 324 OE2 GLU A 19 9.449 -13.199 4.138 1.00 0.00 O ATOM 0 H GLU A 19 9.250 -7.043 3.881 1.00 0.00 H new ATOM 0 HA GLU A 19 7.140 -9.080 3.536 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.598 -9.213 2.590 1.00 0.00 H new ATOM 0 HB3 GLU A 19 10.017 -9.623 4.242 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.729 -11.138 3.097 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.281 -11.434 2.339 1.00 0.00 H new ATOM 331 N ALA A 20 6.746 -9.442 5.940 1.00 0.00 N ATOM 332 CA ALA A 20 6.467 -9.655 7.355 1.00 0.00 C ATOM 333 C ALA A 20 5.955 -11.071 7.606 1.00 0.00 C ATOM 334 O ALA A 20 5.680 -11.817 6.667 1.00 0.00 O ATOM 335 CB ALA A 20 5.460 -8.631 7.854 1.00 0.00 C ATOM 0 H ALA A 20 5.985 -9.708 5.315 1.00 0.00 H new ATOM 0 HA ALA A 20 7.398 -9.530 7.907 1.00 0.00 H new ATOM 0 HB1 ALA A 20 5.261 -8.802 8.912 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.864 -7.628 7.718 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.532 -8.728 7.290 1.00 0.00 H new ATOM 341 N VAL A 21 5.833 -11.433 8.879 1.00 0.00 N ATOM 342 CA VAL A 21 5.356 -12.761 9.255 1.00 0.00 C ATOM 343 C VAL A 21 3.844 -12.771 9.489 1.00 0.00 C ATOM 344 O VAL A 21 3.317 -13.660 10.161 1.00 0.00 O ATOM 345 CB VAL A 21 6.073 -13.277 10.516 1.00 0.00 C ATOM 346 CG1 VAL A 21 5.754 -12.392 11.705 1.00 0.00 C ATOM 347 CG2 VAL A 21 5.696 -14.725 10.798 1.00 0.00 C ATOM 0 H VAL A 21 6.057 -10.827 9.668 1.00 0.00 H new ATOM 0 HA VAL A 21 5.585 -13.424 8.421 1.00 0.00 H new ATOM 0 HB VAL A 21 7.148 -13.240 10.341 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.268 -12.770 12.588 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.085 -11.374 11.500 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.679 -12.395 11.882 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.214 -15.068 11.693 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.619 -14.797 10.952 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.984 -15.348 9.951 1.00 0.00 H new ATOM 357 N ASP A 22 3.145 -11.786 8.931 1.00 0.00 N ATOM 358 CA ASP A 22 1.697 -11.695 9.084 1.00 0.00 C ATOM 359 C ASP A 22 1.117 -10.645 8.141 1.00 0.00 C ATOM 360 O ASP A 22 1.795 -10.182 7.224 1.00 0.00 O ATOM 361 CB ASP A 22 1.339 -11.354 10.532 1.00 0.00 C ATOM 362 CG ASP A 22 0.144 -12.140 11.033 1.00 0.00 C ATOM 363 OD1 ASP A 22 -0.839 -12.274 10.274 1.00 0.00 O ATOM 364 OD2 ASP A 22 0.190 -12.623 12.185 1.00 0.00 O ATOM 0 H ASP A 22 3.558 -11.041 8.370 1.00 0.00 H new ATOM 0 HA ASP A 22 1.265 -12.663 8.829 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.197 -11.556 11.173 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.127 -10.288 10.609 1.00 0.00 H new ATOM 369 N ALA A 23 -0.139 -10.272 8.370 1.00 0.00 N ATOM 370 CA ALA A 23 -0.801 -9.276 7.537 1.00 0.00 C ATOM 371 C ALA A 23 -1.160 -8.035 8.345 1.00 0.00 C ATOM 372 O ALA A 23 -1.046 -6.911 7.855 1.00 0.00 O ATOM 373 CB ALA A 23 -2.047 -9.863 6.896 1.00 0.00 C ATOM 0 H ALA A 23 -0.717 -10.644 9.124 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.106 -8.981 6.751 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.529 -9.106 6.277 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.770 -10.716 6.276 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.737 -10.189 7.674 1.00 0.00 H new ATOM 379 N GLY A 24 -1.593 -8.243 9.586 1.00 0.00 N ATOM 380 CA GLY A 24 -1.955 -7.124 10.439 1.00 0.00 C ATOM 381 C GLY A 24 -0.885 -6.050 10.457 1.00 0.00 C ATOM 382 O GLY A 24 -1.179 -4.869 10.646 1.00 0.00 O ATOM 0 H GLY A 24 -1.699 -9.162 10.015 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.894 -6.693 10.092 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.125 -7.483 11.454 1.00 0.00 H new ATOM 386 N THR A 25 0.359 -6.466 10.247 1.00 0.00 N ATOM 387 CA THR A 25 1.482 -5.543 10.228 1.00 0.00 C ATOM 388 C THR A 25 1.578 -4.848 8.876 1.00 0.00 C ATOM 389 O THR A 25 2.042 -3.713 8.783 1.00 0.00 O ATOM 390 CB THR A 25 2.787 -6.281 10.532 1.00 0.00 C ATOM 391 OG1 THR A 25 2.646 -7.094 11.684 1.00 0.00 O ATOM 392 CG2 THR A 25 3.960 -5.353 10.766 1.00 0.00 C ATOM 0 H THR A 25 0.613 -7.441 10.087 1.00 0.00 H new ATOM 0 HA THR A 25 1.318 -4.789 10.998 1.00 0.00 H new ATOM 0 HB THR A 25 2.992 -6.882 9.646 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.490 -7.559 11.861 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.853 -5.941 10.976 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.127 -4.746 9.876 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.746 -4.703 11.614 1.00 0.00 H new ATOM 400 N ALA A 26 1.129 -5.534 7.828 1.00 0.00 N ATOM 401 CA ALA A 26 1.159 -4.972 6.486 1.00 0.00 C ATOM 402 C ALA A 26 0.126 -3.860 6.352 1.00 0.00 C ATOM 403 O ALA A 26 0.383 -2.829 5.732 1.00 0.00 O ATOM 404 CB ALA A 26 0.912 -6.057 5.448 1.00 0.00 C ATOM 0 H ALA A 26 0.742 -6.476 7.884 1.00 0.00 H new ATOM 0 HA ALA A 26 2.148 -4.548 6.311 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.938 -5.619 4.450 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.685 -6.821 5.529 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.064 -6.510 5.620 1.00 0.00 H new ATOM 410 N GLU A 27 -1.042 -4.078 6.950 1.00 0.00 N ATOM 411 CA GLU A 27 -2.115 -3.092 6.911 1.00 0.00 C ATOM 412 C GLU A 27 -1.744 -1.868 7.742 1.00 0.00 C ATOM 413 O GLU A 27 -1.663 -0.754 7.224 1.00 0.00 O ATOM 414 CB GLU A 27 -3.417 -3.703 7.432 1.00 0.00 C ATOM 415 CG GLU A 27 -4.597 -2.743 7.395 1.00 0.00 C ATOM 416 CD GLU A 27 -5.882 -3.383 7.882 1.00 0.00 C ATOM 417 OE1 GLU A 27 -6.454 -4.209 7.139 1.00 0.00 O ATOM 418 OE2 GLU A 27 -6.317 -3.057 9.007 1.00 0.00 O ATOM 0 H GLU A 27 -1.268 -4.928 7.466 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.260 -2.782 5.876 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.658 -4.585 6.838 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.266 -4.040 8.457 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.372 -1.872 8.011 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.737 -2.384 6.375 1.00 0.00 H new ATOM 425 N LYS A 28 -1.514 -2.084 9.035 1.00 0.00 N ATOM 426 CA LYS A 28 -1.146 -0.998 9.941 1.00 0.00 C ATOM 427 C LYS A 28 0.082 -0.245 9.430 1.00 0.00 C ATOM 428 O LYS A 28 0.174 0.975 9.572 1.00 0.00 O ATOM 429 CB LYS A 28 -0.878 -1.548 11.344 1.00 0.00 C ATOM 430 CG LYS A 28 -1.975 -1.224 12.345 1.00 0.00 C ATOM 431 CD LYS A 28 -1.829 0.186 12.897 1.00 0.00 C ATOM 432 CE LYS A 28 -1.814 0.191 14.418 1.00 0.00 C ATOM 433 NZ LYS A 28 -0.622 -0.515 14.963 1.00 0.00 N ATOM 0 H LYS A 28 -1.576 -3.000 9.479 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.980 -0.298 9.984 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.760 -2.630 11.284 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.066 -1.144 11.709 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.948 -1.329 11.866 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.944 -1.942 13.165 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.908 0.631 12.522 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.651 0.805 12.538 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.823 1.220 14.778 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.720 -0.285 14.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.458 -0.213 15.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.786 -1.542 14.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.212 -0.284 14.386 1.00 0.00 H new ATOM 447 N TYR A 29 1.021 -0.974 8.834 1.00 0.00 N ATOM 448 CA TYR A 29 2.237 -0.362 8.303 1.00 0.00 C ATOM 449 C TYR A 29 1.930 0.422 7.032 1.00 0.00 C ATOM 450 O TYR A 29 2.336 1.576 6.889 1.00 0.00 O ATOM 451 CB TYR A 29 3.302 -1.430 8.018 1.00 0.00 C ATOM 452 CG TYR A 29 4.548 -0.886 7.353 1.00 0.00 C ATOM 453 CD1 TYR A 29 4.564 -0.602 5.994 1.00 0.00 C ATOM 454 CD2 TYR A 29 5.706 -0.655 8.085 1.00 0.00 C ATOM 455 CE1 TYR A 29 5.698 -0.105 5.381 1.00 0.00 C ATOM 456 CE2 TYR A 29 6.844 -0.158 7.481 1.00 0.00 C ATOM 457 CZ TYR A 29 6.836 0.116 6.129 1.00 0.00 C ATOM 458 OH TYR A 29 7.968 0.612 5.524 1.00 0.00 O ATOM 0 H TYR A 29 0.965 -1.984 8.706 1.00 0.00 H new ATOM 0 HA TYR A 29 2.626 0.325 9.054 1.00 0.00 H new ATOM 0 HB2 TYR A 29 3.582 -1.910 8.956 1.00 0.00 H new ATOM 0 HB3 TYR A 29 2.869 -2.201 7.381 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.674 -0.773 5.406 1.00 0.00 H new ATOM 0 HD2 TYR A 29 5.716 -0.868 9.144 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.694 0.109 4.322 1.00 0.00 H new ATOM 0 HE2 TYR A 29 7.736 0.015 8.064 1.00 0.00 H new ATOM 0 HH TYR A 29 8.679 0.710 6.191 1.00 0.00 H new ATOM 468 N PHE A 30 1.203 -0.208 6.115 1.00 0.00 N ATOM 469 CA PHE A 30 0.835 0.439 4.863 1.00 0.00 C ATOM 470 C PHE A 30 -0.019 1.670 5.147 1.00 0.00 C ATOM 471 O PHE A 30 0.172 2.726 4.545 1.00 0.00 O ATOM 472 CB PHE A 30 0.083 -0.536 3.945 1.00 0.00 C ATOM 473 CG PHE A 30 0.968 -1.489 3.178 1.00 0.00 C ATOM 474 CD1 PHE A 30 2.349 -1.324 3.138 1.00 0.00 C ATOM 475 CD2 PHE A 30 0.410 -2.556 2.491 1.00 0.00 C ATOM 476 CE1 PHE A 30 3.146 -2.205 2.430 1.00 0.00 C ATOM 477 CE2 PHE A 30 1.204 -3.439 1.781 1.00 0.00 C ATOM 478 CZ PHE A 30 2.574 -3.263 1.751 1.00 0.00 C ATOM 0 H PHE A 30 0.858 -1.163 6.216 1.00 0.00 H new ATOM 0 HA PHE A 30 1.746 0.750 4.351 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.616 -1.116 4.548 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.510 0.039 3.234 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.804 -0.499 3.666 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.660 -2.700 2.510 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.217 -2.066 2.408 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.753 -4.265 1.251 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.196 -3.951 1.198 1.00 0.00 H new ATOM 488 N LYS A 31 -0.957 1.529 6.080 1.00 0.00 N ATOM 489 CA LYS A 31 -1.829 2.634 6.455 1.00 0.00 C ATOM 490 C LYS A 31 -1.018 3.826 6.970 1.00 0.00 C ATOM 491 O LYS A 31 -1.393 4.978 6.755 1.00 0.00 O ATOM 492 CB LYS A 31 -2.827 2.182 7.524 1.00 0.00 C ATOM 493 CG LYS A 31 -4.112 2.996 7.543 1.00 0.00 C ATOM 494 CD LYS A 31 -4.307 3.706 8.872 1.00 0.00 C ATOM 495 CE LYS A 31 -5.326 4.828 8.760 1.00 0.00 C ATOM 496 NZ LYS A 31 -6.696 4.375 9.134 1.00 0.00 N ATOM 0 H LYS A 31 -1.131 0.662 6.588 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.374 2.949 5.565 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.074 1.133 7.358 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.352 2.247 8.503 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.090 3.730 6.738 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.961 2.340 7.353 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.635 2.989 9.624 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.354 4.111 9.212 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.028 5.654 9.405 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.336 5.209 7.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.361 5.170 9.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.991 3.603 8.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.693 4.035 10.117 1.00 0.00 H new ATOM 510 N LEU A 32 0.092 3.542 7.651 1.00 0.00 N ATOM 511 CA LEU A 32 0.945 4.591 8.195 1.00 0.00 C ATOM 512 C LEU A 32 1.642 5.372 7.082 1.00 0.00 C ATOM 513 O LEU A 32 1.799 6.590 7.173 1.00 0.00 O ATOM 514 CB LEU A 32 1.985 3.986 9.143 1.00 0.00 C ATOM 515 CG LEU A 32 1.440 3.443 10.474 1.00 0.00 C ATOM 516 CD1 LEU A 32 2.131 4.127 11.640 1.00 0.00 C ATOM 517 CD2 LEU A 32 -0.071 3.623 10.581 1.00 0.00 C ATOM 0 H LEU A 32 0.419 2.594 7.837 1.00 0.00 H new ATOM 0 HA LEU A 32 0.313 5.285 8.750 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.495 3.175 8.623 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.735 4.746 9.362 1.00 0.00 H new ATOM 0 HG LEU A 32 1.650 2.374 10.506 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.737 3.735 12.577 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.203 3.938 11.589 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.950 5.201 11.591 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.418 3.227 11.535 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.317 4.683 10.517 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.560 3.088 9.767 1.00 0.00 H new ATOM 529 N ILE A 33 2.052 4.670 6.026 1.00 0.00 N ATOM 530 CA ILE A 33 2.726 5.312 4.905 1.00 0.00 C ATOM 531 C ILE A 33 1.717 5.980 3.976 1.00 0.00 C ATOM 532 O ILE A 33 1.975 7.053 3.429 1.00 0.00 O ATOM 533 CB ILE A 33 3.582 4.309 4.105 1.00 0.00 C ATOM 534 CG1 ILE A 33 4.360 5.030 3.001 1.00 0.00 C ATOM 535 CG2 ILE A 33 2.713 3.209 3.515 1.00 0.00 C ATOM 536 CD1 ILE A 33 5.528 5.843 3.517 1.00 0.00 C ATOM 0 H ILE A 33 1.929 3.662 5.926 1.00 0.00 H new ATOM 0 HA ILE A 33 3.388 6.071 5.322 1.00 0.00 H new ATOM 0 HB ILE A 33 4.297 3.849 4.787 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.728 4.294 2.286 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.681 5.688 2.459 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.337 2.513 2.955 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.206 2.675 4.319 1.00 0.00 H new ATOM 0 HG23 ILE A 33 1.972 3.649 2.848 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.033 6.326 2.680 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.165 6.603 4.209 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.228 5.187 4.034 1.00 0.00 H new ATOM 548 N ALA A 34 0.562 5.343 3.807 1.00 0.00 N ATOM 549 CA ALA A 34 -0.487 5.883 2.953 1.00 0.00 C ATOM 550 C ALA A 34 -0.918 7.259 3.439 1.00 0.00 C ATOM 551 O ALA A 34 -0.657 8.270 2.786 1.00 0.00 O ATOM 552 CB ALA A 34 -1.676 4.937 2.911 1.00 0.00 C ATOM 0 H ALA A 34 0.330 4.454 4.250 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.090 5.985 1.943 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.451 5.355 2.269 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.359 3.972 2.516 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.072 4.805 3.918 1.00 0.00 H new ATOM 558 N ASN A 35 -1.573 7.294 4.594 1.00 0.00 N ATOM 559 CA ASN A 35 -2.035 8.550 5.177 1.00 0.00 C ATOM 560 C ASN A 35 -0.878 9.534 5.344 1.00 0.00 C ATOM 561 O ASN A 35 -1.060 10.745 5.220 1.00 0.00 O ATOM 562 CB ASN A 35 -2.703 8.293 6.531 1.00 0.00 C ATOM 563 CG ASN A 35 -3.929 9.161 6.750 1.00 0.00 C ATOM 564 OD1 ASN A 35 -4.914 8.719 7.343 1.00 0.00 O ATOM 565 ND2 ASN A 35 -3.879 10.402 6.274 1.00 0.00 N ATOM 0 H ASN A 35 -1.797 6.466 5.146 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.765 8.990 4.497 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.989 7.243 6.598 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.983 8.479 7.328 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.676 11.027 6.394 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -3.044 10.729 5.789 1.00 0.00 H new ATOM 572 N ALA A 36 0.313 9.008 5.627 1.00 0.00 N ATOM 573 CA ALA A 36 1.494 9.842 5.809 1.00 0.00 C ATOM 574 C ALA A 36 1.800 10.653 4.555 1.00 0.00 C ATOM 575 O ALA A 36 2.433 11.707 4.626 1.00 0.00 O ATOM 576 CB ALA A 36 2.691 8.985 6.189 1.00 0.00 C ATOM 0 H ALA A 36 0.483 8.008 5.735 1.00 0.00 H new ATOM 0 HA ALA A 36 1.288 10.543 6.618 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.566 9.621 6.322 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.481 8.458 7.120 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.886 8.261 5.398 1.00 0.00 H new ATOM 582 N LYS A 37 1.348 10.159 3.405 1.00 0.00 N ATOM 583 CA LYS A 37 1.578 10.849 2.138 1.00 0.00 C ATOM 584 C LYS A 37 0.485 10.517 1.126 1.00 0.00 C ATOM 585 O LYS A 37 0.764 10.267 -0.048 1.00 0.00 O ATOM 586 CB LYS A 37 2.958 10.485 1.571 1.00 0.00 C ATOM 587 CG LYS A 37 3.083 9.042 1.103 1.00 0.00 C ATOM 588 CD LYS A 37 4.100 8.909 -0.019 1.00 0.00 C ATOM 589 CE LYS A 37 5.506 9.220 0.465 1.00 0.00 C ATOM 590 NZ LYS A 37 5.842 8.478 1.712 1.00 0.00 N ATOM 0 H LYS A 37 0.823 9.288 3.324 1.00 0.00 H new ATOM 0 HA LYS A 37 1.549 11.922 2.329 1.00 0.00 H new ATOM 0 HB2 LYS A 37 3.180 11.147 0.734 1.00 0.00 H new ATOM 0 HB3 LYS A 37 3.713 10.674 2.335 1.00 0.00 H new ATOM 0 HG2 LYS A 37 3.379 8.410 1.941 1.00 0.00 H new ATOM 0 HG3 LYS A 37 2.112 8.684 0.761 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.068 7.897 -0.422 1.00 0.00 H new ATOM 0 HD3 LYS A 37 3.836 9.585 -0.833 1.00 0.00 H new ATOM 0 HE2 LYS A 37 6.223 8.963 -0.315 1.00 0.00 H new ATOM 0 HE3 LYS A 37 5.600 10.291 0.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 6.820 8.129 1.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 5.747 9.113 2.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 5.193 7.673 1.822 1.00 0.00 H new ATOM 604 N THR A 38 -0.761 10.523 1.588 1.00 0.00 N ATOM 605 CA THR A 38 -1.902 10.226 0.730 1.00 0.00 C ATOM 606 C THR A 38 -3.207 10.648 1.398 1.00 0.00 C ATOM 607 O THR A 38 -3.565 10.134 2.459 1.00 0.00 O ATOM 608 CB THR A 38 -1.948 8.733 0.399 1.00 0.00 C ATOM 609 OG1 THR A 38 -0.650 8.238 0.124 1.00 0.00 O ATOM 610 CG2 THR A 38 -2.823 8.412 -0.794 1.00 0.00 C ATOM 0 H THR A 38 -1.007 10.731 2.556 1.00 0.00 H new ATOM 0 HA THR A 38 -1.784 10.792 -0.194 1.00 0.00 H new ATOM 0 HB THR A 38 -2.373 8.255 1.282 1.00 0.00 H new ATOM 0 HG1 THR A 38 -0.179 8.865 -0.463 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.812 7.337 -0.975 1.00 0.00 H new ATOM 0 HG22 THR A 38 -3.844 8.736 -0.594 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.444 8.932 -1.674 1.00 0.00 H new ATOM 618 N VAL A 39 -3.912 11.586 0.775 1.00 0.00 N ATOM 619 CA VAL A 39 -5.177 12.072 1.314 1.00 0.00 C ATOM 620 C VAL A 39 -6.319 11.861 0.325 1.00 0.00 C ATOM 621 O VAL A 39 -7.306 12.594 0.340 1.00 0.00 O ATOM 622 CB VAL A 39 -5.095 13.568 1.672 1.00 0.00 C ATOM 623 CG1 VAL A 39 -4.194 13.777 2.880 1.00 0.00 C ATOM 624 CG2 VAL A 39 -4.602 14.374 0.482 1.00 0.00 C ATOM 0 H VAL A 39 -3.630 12.024 -0.102 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.375 11.497 2.218 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.095 13.919 1.929 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.147 14.839 3.119 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.596 13.230 3.733 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.192 13.411 2.654 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.550 15.428 0.753 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.611 14.025 0.192 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.291 14.248 -0.353 1.00 0.00 H new ATOM 634 N GLU A 40 -6.181 10.852 -0.530 1.00 0.00 N ATOM 635 CA GLU A 40 -7.205 10.548 -1.524 1.00 0.00 C ATOM 636 C GLU A 40 -6.793 9.358 -2.385 1.00 0.00 C ATOM 637 O GLU A 40 -5.774 9.405 -3.075 1.00 0.00 O ATOM 638 CB GLU A 40 -7.467 11.767 -2.410 1.00 0.00 C ATOM 639 CG GLU A 40 -8.911 12.244 -2.380 1.00 0.00 C ATOM 640 CD GLU A 40 -9.896 11.136 -2.701 1.00 0.00 C ATOM 641 OE1 GLU A 40 -9.718 10.467 -3.740 1.00 0.00 O ATOM 642 OE2 GLU A 40 -10.844 10.941 -1.913 1.00 0.00 O ATOM 0 H GLU A 40 -5.371 10.232 -0.555 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.122 10.290 -0.994 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.817 12.583 -2.092 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.195 11.524 -3.437 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.135 12.651 -1.394 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.037 13.056 -3.096 1.00 0.00 H new ATOM 649 N GLY A 41 -7.590 8.295 -2.343 1.00 0.00 N ATOM 650 CA GLY A 41 -7.286 7.114 -3.129 1.00 0.00 C ATOM 651 C GLY A 41 -8.327 6.023 -2.970 1.00 0.00 C ATOM 652 O GLY A 41 -9.142 6.062 -2.048 1.00 0.00 O ATOM 0 H GLY A 41 -8.438 8.231 -1.780 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.213 7.391 -4.181 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.311 6.727 -2.833 1.00 0.00 H new ATOM 656 N VAL A 42 -8.293 5.044 -3.868 1.00 0.00 N ATOM 657 CA VAL A 42 -9.228 3.930 -3.825 1.00 0.00 C ATOM 658 C VAL A 42 -8.515 2.662 -3.388 1.00 0.00 C ATOM 659 O VAL A 42 -7.745 2.070 -4.146 1.00 0.00 O ATOM 660 CB VAL A 42 -9.908 3.692 -5.188 1.00 0.00 C ATOM 661 CG1 VAL A 42 -11.083 2.736 -5.037 1.00 0.00 C ATOM 662 CG2 VAL A 42 -10.358 5.011 -5.803 1.00 0.00 C ATOM 0 H VAL A 42 -7.624 5.001 -4.637 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.002 4.188 -3.103 1.00 0.00 H new ATOM 0 HB VAL A 42 -9.181 3.237 -5.861 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.552 2.579 -6.009 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -10.728 1.782 -4.647 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -11.812 3.161 -4.347 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -10.835 4.820 -6.764 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -11.068 5.500 -5.136 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -9.493 5.658 -5.949 1.00 0.00 H new ATOM 672 N TRP A 43 -8.772 2.269 -2.150 1.00 0.00 N ATOM 673 CA TRP A 43 -8.176 1.097 -1.558 1.00 0.00 C ATOM 674 C TRP A 43 -8.622 -0.178 -2.269 1.00 0.00 C ATOM 675 O TRP A 43 -9.817 -0.429 -2.428 1.00 0.00 O ATOM 676 CB TRP A 43 -8.590 1.058 -0.092 1.00 0.00 C ATOM 677 CG TRP A 43 -7.627 1.763 0.826 1.00 0.00 C ATOM 678 CD1 TRP A 43 -7.522 3.117 0.999 1.00 0.00 C ATOM 679 CD2 TRP A 43 -6.637 1.172 1.691 1.00 0.00 C ATOM 680 NE1 TRP A 43 -6.542 3.404 1.911 1.00 0.00 N ATOM 681 CE2 TRP A 43 -5.983 2.235 2.351 1.00 0.00 C ATOM 682 CE3 TRP A 43 -6.238 -0.144 1.978 1.00 0.00 C ATOM 683 CZ2 TRP A 43 -4.961 2.031 3.272 1.00 0.00 C ATOM 684 CZ3 TRP A 43 -5.203 -0.342 2.909 1.00 0.00 C ATOM 685 CH2 TRP A 43 -4.587 0.746 3.538 1.00 0.00 C ATOM 0 H TRP A 43 -9.409 2.766 -1.527 1.00 0.00 H new ATOM 0 HA TRP A 43 -7.091 1.150 -1.653 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -9.575 1.512 0.011 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -8.684 0.019 0.223 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -8.126 3.853 0.489 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -6.272 4.340 2.214 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -6.715 -0.984 1.495 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -4.478 2.864 3.762 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -4.879 -1.346 3.142 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.797 0.564 4.251 1.00 0.00 H new ATOM 696 N THR A 44 -7.652 -0.984 -2.683 1.00 0.00 N ATOM 697 CA THR A 44 -7.937 -2.242 -3.366 1.00 0.00 C ATOM 698 C THR A 44 -6.822 -3.250 -3.110 1.00 0.00 C ATOM 699 O THR A 44 -5.759 -2.890 -2.608 1.00 0.00 O ATOM 700 CB THR A 44 -8.126 -2.017 -4.872 1.00 0.00 C ATOM 701 OG1 THR A 44 -8.694 -3.162 -5.480 1.00 0.00 O ATOM 702 CG2 THR A 44 -6.844 -1.696 -5.617 1.00 0.00 C ATOM 0 H THR A 44 -6.659 -0.789 -2.558 1.00 0.00 H new ATOM 0 HA THR A 44 -8.868 -2.644 -2.966 1.00 0.00 H new ATOM 0 HB THR A 44 -8.785 -1.152 -4.943 1.00 0.00 H new ATOM 0 HG1 THR A 44 -8.809 -3.000 -6.440 1.00 0.00 H new ATOM 0 HG21 THR A 44 -7.064 -1.551 -6.675 1.00 0.00 H new ATOM 0 HG22 THR A 44 -6.405 -0.785 -5.210 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.140 -2.521 -5.502 1.00 0.00 H new ATOM 710 N TYR A 45 -7.065 -4.511 -3.452 1.00 0.00 N ATOM 711 CA TYR A 45 -6.064 -5.553 -3.248 1.00 0.00 C ATOM 712 C TYR A 45 -6.085 -6.571 -4.385 1.00 0.00 C ATOM 713 O TYR A 45 -7.148 -6.967 -4.863 1.00 0.00 O ATOM 714 CB TYR A 45 -6.266 -6.235 -1.879 1.00 0.00 C ATOM 715 CG TYR A 45 -5.785 -7.671 -1.799 1.00 0.00 C ATOM 716 CD1 TYR A 45 -6.484 -8.699 -2.421 1.00 0.00 C ATOM 717 CD2 TYR A 45 -4.636 -7.994 -1.091 1.00 0.00 C ATOM 718 CE1 TYR A 45 -6.050 -10.009 -2.339 1.00 0.00 C ATOM 719 CE2 TYR A 45 -4.196 -9.302 -1.002 1.00 0.00 C ATOM 720 CZ TYR A 45 -4.906 -10.304 -1.629 1.00 0.00 C ATOM 721 OH TYR A 45 -4.470 -11.605 -1.544 1.00 0.00 O ATOM 0 H TYR A 45 -7.938 -4.835 -3.868 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.080 -5.085 -3.251 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.746 -5.651 -1.119 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.327 -6.209 -1.630 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.381 -8.471 -2.978 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -4.076 -7.211 -0.601 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -6.604 -10.796 -2.828 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -3.301 -9.537 -0.445 1.00 0.00 H new ATOM 0 HH TYR A 45 -3.622 -11.698 -2.026 1.00 0.00 H new ATOM 731 N LYS A 46 -4.895 -6.990 -4.808 1.00 0.00 N ATOM 732 CA LYS A 46 -4.762 -7.965 -5.884 1.00 0.00 C ATOM 733 C LYS A 46 -4.437 -9.346 -5.329 1.00 0.00 C ATOM 734 O LYS A 46 -3.582 -9.488 -4.446 1.00 0.00 O ATOM 735 CB LYS A 46 -3.673 -7.532 -6.873 1.00 0.00 C ATOM 736 CG LYS A 46 -3.656 -6.037 -7.149 1.00 0.00 C ATOM 737 CD LYS A 46 -3.281 -5.741 -8.593 1.00 0.00 C ATOM 738 CE LYS A 46 -1.884 -6.237 -8.915 1.00 0.00 C ATOM 739 NZ LYS A 46 -1.879 -7.133 -10.111 1.00 0.00 N ATOM 0 H LYS A 46 -4.008 -6.668 -4.420 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.716 -8.016 -6.408 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.700 -7.831 -6.482 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.816 -8.064 -7.813 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -4.637 -5.615 -6.933 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.946 -5.551 -6.480 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.000 -6.215 -9.262 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.338 -4.667 -8.773 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.228 -5.386 -9.095 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.481 -6.774 -8.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.908 -7.453 -10.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.486 -7.958 -9.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.240 -6.613 -10.936 1.00 0.00 H new ATOM 753 N ASP A 47 -5.125 -10.358 -5.853 1.00 0.00 N ATOM 754 CA ASP A 47 -4.923 -11.736 -5.422 1.00 0.00 C ATOM 755 C ASP A 47 -3.834 -12.406 -6.242 1.00 0.00 C ATOM 756 O ASP A 47 -3.962 -12.555 -7.464 1.00 0.00 O ATOM 757 CB ASP A 47 -6.228 -12.527 -5.539 1.00 0.00 C ATOM 758 CG ASP A 47 -7.415 -11.776 -4.969 1.00 0.00 C ATOM 759 OD1 ASP A 47 -7.669 -10.638 -5.418 1.00 0.00 O ATOM 760 OD2 ASP A 47 -8.091 -12.326 -4.075 1.00 0.00 O ATOM 0 H ASP A 47 -5.831 -10.246 -6.581 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.609 -11.721 -4.378 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.417 -12.757 -6.588 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.120 -13.479 -5.019 1.00 0.00 H new ATOM 765 N GLU A 48 -2.762 -12.817 -5.577 1.00 0.00 N ATOM 766 CA GLU A 48 -1.632 -13.480 -6.230 1.00 0.00 C ATOM 767 C GLU A 48 -0.427 -13.504 -5.298 1.00 0.00 C ATOM 768 O GLU A 48 0.022 -14.566 -4.866 1.00 0.00 O ATOM 769 CB GLU A 48 -1.261 -12.786 -7.550 1.00 0.00 C ATOM 770 CG GLU A 48 -1.413 -11.271 -7.531 1.00 0.00 C ATOM 771 CD GLU A 48 -0.118 -10.549 -7.847 1.00 0.00 C ATOM 772 OE1 GLU A 48 0.469 -10.823 -8.918 1.00 0.00 O ATOM 773 OE2 GLU A 48 0.311 -9.711 -7.023 1.00 0.00 O ATOM 0 H GLU A 48 -2.648 -12.702 -4.570 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.932 -14.503 -6.459 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.228 -13.032 -7.797 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.885 -13.191 -8.347 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.174 -10.977 -8.254 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.769 -10.958 -6.549 1.00 0.00 H new ATOM 780 N ILE A 49 0.080 -12.322 -4.972 1.00 0.00 N ATOM 781 CA ILE A 49 1.221 -12.198 -4.073 1.00 0.00 C ATOM 782 C ILE A 49 0.879 -11.278 -2.905 1.00 0.00 C ATOM 783 O ILE A 49 1.763 -10.676 -2.296 1.00 0.00 O ATOM 784 CB ILE A 49 2.466 -11.653 -4.801 1.00 0.00 C ATOM 785 CG1 ILE A 49 2.693 -12.405 -6.114 1.00 0.00 C ATOM 786 CG2 ILE A 49 3.693 -11.758 -3.904 1.00 0.00 C ATOM 787 CD1 ILE A 49 3.099 -11.504 -7.259 1.00 0.00 C ATOM 0 H ILE A 49 -0.282 -11.433 -5.318 1.00 0.00 H new ATOM 0 HA ILE A 49 1.450 -13.197 -3.702 1.00 0.00 H new ATOM 0 HB ILE A 49 2.298 -10.602 -5.034 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.465 -13.159 -5.963 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.779 -12.934 -6.384 1.00 0.00 H new ATOM 0 HG21 ILE A 49 4.564 -11.369 -4.432 1.00 0.00 H new ATOM 0 HG22 ILE A 49 3.530 -11.178 -2.996 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.864 -12.802 -3.642 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.244 -12.102 -8.159 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.317 -10.765 -7.436 1.00 0.00 H new ATOM 0 HD13 ILE A 49 4.029 -10.994 -7.009 1.00 0.00 H new ATOM 799 N LYS A 50 -0.414 -11.173 -2.602 1.00 0.00 N ATOM 800 CA LYS A 50 -0.879 -10.324 -1.511 1.00 0.00 C ATOM 801 C LYS A 50 -0.453 -8.878 -1.737 1.00 0.00 C ATOM 802 O LYS A 50 0.619 -8.461 -1.295 1.00 0.00 O ATOM 803 CB LYS A 50 -0.335 -10.826 -0.171 1.00 0.00 C ATOM 804 CG LYS A 50 -0.342 -12.342 -0.035 1.00 0.00 C ATOM 805 CD LYS A 50 -1.232 -12.799 1.110 1.00 0.00 C ATOM 806 CE LYS A 50 -2.704 -12.729 0.739 1.00 0.00 C ATOM 807 NZ LYS A 50 -3.537 -12.213 1.860 1.00 0.00 N ATOM 0 H LYS A 50 -1.157 -11.666 -3.098 1.00 0.00 H new ATOM 0 HA LYS A 50 -1.968 -10.368 -1.487 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.685 -10.464 -0.045 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.928 -10.395 0.636 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.689 -12.789 -0.967 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.675 -12.697 0.130 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.974 -13.822 1.386 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.047 -12.177 1.986 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.828 -12.085 -0.132 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.054 -13.721 0.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.541 -12.245 1.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.387 -12.802 2.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.266 -11.231 2.070 1.00 0.00 H new ATOM 821 N THR A 51 -1.287 -8.112 -2.436 1.00 0.00 N ATOM 822 CA THR A 51 -0.958 -6.717 -2.712 1.00 0.00 C ATOM 823 C THR A 51 -2.176 -5.810 -2.621 1.00 0.00 C ATOM 824 O THR A 51 -3.292 -6.208 -2.948 1.00 0.00 O ATOM 825 CB THR A 51 -0.318 -6.590 -4.094 1.00 0.00 C ATOM 826 OG1 THR A 51 -1.063 -7.309 -5.059 1.00 0.00 O ATOM 827 CG2 THR A 51 1.107 -7.098 -4.144 1.00 0.00 C ATOM 0 H THR A 51 -2.180 -8.426 -2.816 1.00 0.00 H new ATOM 0 HA THR A 51 -0.250 -6.395 -1.948 1.00 0.00 H new ATOM 0 HB THR A 51 -0.314 -5.522 -4.312 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.638 -7.214 -5.937 1.00 0.00 H new ATOM 0 HG21 THR A 51 1.501 -6.978 -5.153 1.00 0.00 H new ATOM 0 HG22 THR A 51 1.721 -6.529 -3.445 1.00 0.00 H new ATOM 0 HG23 THR A 51 1.127 -8.153 -3.869 1.00 0.00 H new ATOM 835 N PHE A 52 -1.937 -4.578 -2.182 1.00 0.00 N ATOM 836 CA PHE A 52 -2.989 -3.577 -2.051 1.00 0.00 C ATOM 837 C PHE A 52 -2.633 -2.339 -2.867 1.00 0.00 C ATOM 838 O PHE A 52 -1.464 -2.100 -3.159 1.00 0.00 O ATOM 839 CB PHE A 52 -3.189 -3.197 -0.582 1.00 0.00 C ATOM 840 CG PHE A 52 -3.181 -4.371 0.354 1.00 0.00 C ATOM 841 CD1 PHE A 52 -1.985 -4.929 0.776 1.00 0.00 C ATOM 842 CD2 PHE A 52 -4.370 -4.916 0.813 1.00 0.00 C ATOM 843 CE1 PHE A 52 -1.974 -6.008 1.638 1.00 0.00 C ATOM 844 CE2 PHE A 52 -4.366 -5.996 1.675 1.00 0.00 C ATOM 845 CZ PHE A 52 -3.166 -6.543 2.088 1.00 0.00 C ATOM 0 H PHE A 52 -1.012 -4.247 -1.908 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.920 -3.999 -2.429 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.403 -2.503 -0.286 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.137 -2.668 -0.479 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.050 -4.515 0.427 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.310 -4.492 0.493 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.035 -6.433 1.960 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.299 -6.412 2.025 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.160 -7.387 2.761 1.00 0.00 H new ATOM 855 N THR A 53 -3.637 -1.555 -3.243 1.00 0.00 N ATOM 856 CA THR A 53 -3.388 -0.353 -4.030 1.00 0.00 C ATOM 857 C THR A 53 -4.373 0.761 -3.682 1.00 0.00 C ATOM 858 O THR A 53 -5.495 0.502 -3.252 1.00 0.00 O ATOM 859 CB THR A 53 -3.464 -0.683 -5.531 1.00 0.00 C ATOM 860 OG1 THR A 53 -2.526 -1.689 -5.874 1.00 0.00 O ATOM 861 CG2 THR A 53 -3.216 0.504 -6.449 1.00 0.00 C ATOM 0 H THR A 53 -4.617 -1.726 -3.020 1.00 0.00 H new ATOM 0 HA THR A 53 -2.387 0.005 -3.789 1.00 0.00 H new ATOM 0 HB THR A 53 -4.490 -1.018 -5.684 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.359 -1.665 -6.839 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.288 0.182 -7.488 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.961 1.276 -6.255 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.220 0.906 -6.263 1.00 0.00 H new ATOM 869 N VAL A 54 -3.938 1.999 -3.887 1.00 0.00 N ATOM 870 CA VAL A 54 -4.771 3.167 -3.615 1.00 0.00 C ATOM 871 C VAL A 54 -4.669 4.169 -4.768 1.00 0.00 C ATOM 872 O VAL A 54 -3.648 4.831 -4.948 1.00 0.00 O ATOM 873 CB VAL A 54 -4.398 3.834 -2.259 1.00 0.00 C ATOM 874 CG1 VAL A 54 -3.364 4.947 -2.417 1.00 0.00 C ATOM 875 CG2 VAL A 54 -5.648 4.365 -1.578 1.00 0.00 C ATOM 0 H VAL A 54 -3.008 2.221 -4.243 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.805 2.833 -3.534 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.942 3.065 -1.636 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.141 5.377 -1.441 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.452 4.537 -2.850 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.761 5.722 -3.073 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.376 4.830 -0.630 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.126 5.104 -2.221 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.339 3.543 -1.394 1.00 0.00 H new ATOM 885 N THR A 55 -5.728 4.251 -5.565 1.00 0.00 N ATOM 886 CA THR A 55 -5.750 5.152 -6.715 1.00 0.00 C ATOM 887 C THR A 55 -6.712 6.317 -6.493 1.00 0.00 C ATOM 888 O THR A 55 -7.880 6.117 -6.160 1.00 0.00 O ATOM 889 CB THR A 55 -6.147 4.387 -7.978 1.00 0.00 C ATOM 890 OG1 THR A 55 -5.283 3.283 -8.186 1.00 0.00 O ATOM 891 CG2 THR A 55 -6.115 5.239 -9.228 1.00 0.00 C ATOM 0 H THR A 55 -6.581 3.707 -5.438 1.00 0.00 H new ATOM 0 HA THR A 55 -4.746 5.558 -6.837 1.00 0.00 H new ATOM 0 HB THR A 55 -7.173 4.059 -7.809 1.00 0.00 H new ATOM 0 HG1 THR A 55 -5.553 2.804 -8.997 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.407 4.635 -10.087 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.808 6.073 -9.118 1.00 0.00 H new ATOM 0 HG23 THR A 55 -5.107 5.623 -9.381 1.00 0.00 H new ATOM 899 N GLU A 56 -6.213 7.534 -6.686 1.00 0.00 N ATOM 900 CA GLU A 56 -7.027 8.732 -6.514 1.00 0.00 C ATOM 901 C GLU A 56 -7.854 9.008 -7.764 1.00 0.00 C ATOM 902 O GLU A 56 -7.351 8.745 -8.877 1.00 0.00 O ATOM 903 CB GLU A 56 -6.139 9.930 -6.191 1.00 0.00 C ATOM 904 CG GLU A 56 -6.903 11.239 -6.045 1.00 0.00 C ATOM 905 CD GLU A 56 -6.883 12.071 -7.309 1.00 0.00 C ATOM 906 OE1 GLU A 56 -6.749 11.485 -8.404 1.00 0.00 O ATOM 907 OE2 GLU A 56 -6.997 13.312 -7.206 1.00 0.00 O ATOM 908 OXT GLU A 56 -8.997 9.491 -7.621 1.00 0.00 O ATOM 0 H GLU A 56 -5.248 7.716 -6.962 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.711 8.566 -5.682 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.598 9.731 -5.266 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.394 10.041 -6.979 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.936 11.023 -5.773 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.472 11.817 -5.227 1.00 0.00 H new TER 915 GLU A 56