USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=14 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 3 TYR OH : rot 180:sc= -0.788 USER MOD Set 1.2: A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 18 LYS NZ :NH3+ 179:sc= 0.764 (180deg=0.764) USER MOD Set 2.2: A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 THR N :NH3+ -143:sc= 0.374 (180deg=0.00501) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.182 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.598 K(o=-0.6,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -2.88! K(o=-2.9!,f=-1.4) USER MOD Single : A 37 LYS NZ :NH3+ 155:sc= -0.559 (180deg=-1.63) USER MOD Single : A 38 THR OG1 : rot 176:sc= -0.164 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 16:sc= 0.667 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -2:sc= -1.73! USER MOD Single : A 53 THR OG1 : rot 180:sc= -1.35 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.145 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 3.428 -13.140 3.929 1.00 0.00 N ATOM 2 CA THR A 1 4.880 -13.295 3.658 1.00 0.00 C ATOM 3 C THR A 1 5.472 -12.012 3.081 1.00 0.00 C ATOM 4 O THR A 1 6.312 -11.367 3.710 1.00 0.00 O ATOM 5 CB THR A 1 5.072 -14.452 2.678 1.00 0.00 C ATOM 6 OG1 THR A 1 3.940 -14.592 1.839 1.00 0.00 O ATOM 7 CG2 THR A 1 5.304 -15.782 3.360 1.00 0.00 C ATOM 0 H1 THR A 1 3.181 -13.652 4.800 1.00 0.00 H new ATOM 0 H2 THR A 1 3.202 -12.131 4.044 1.00 0.00 H new ATOM 0 H3 THR A 1 2.883 -13.528 3.133 1.00 0.00 H new ATOM 0 HA THR A 1 5.399 -13.505 4.593 1.00 0.00 H new ATOM 0 HB THR A 1 5.962 -14.197 2.102 1.00 0.00 H new ATOM 0 HG1 THR A 1 4.083 -15.336 1.218 1.00 0.00 H new ATOM 0 HG21 THR A 1 5.432 -16.560 2.607 1.00 0.00 H new ATOM 0 HG22 THR A 1 6.201 -15.723 3.977 1.00 0.00 H new ATOM 0 HG23 THR A 1 4.446 -16.023 3.988 1.00 0.00 H new ATOM 17 N THR A 2 5.029 -11.649 1.882 1.00 0.00 N ATOM 18 CA THR A 2 5.514 -10.444 1.221 1.00 0.00 C ATOM 19 C THR A 2 4.356 -9.631 0.651 1.00 0.00 C ATOM 20 O THR A 2 3.768 -9.999 -0.366 1.00 0.00 O ATOM 21 CB THR A 2 6.493 -10.811 0.103 1.00 0.00 C ATOM 22 OG1 THR A 2 7.131 -12.045 0.381 1.00 0.00 O ATOM 23 CG2 THR A 2 7.573 -9.772 -0.111 1.00 0.00 C ATOM 0 H THR A 2 4.335 -12.172 1.348 1.00 0.00 H new ATOM 0 HA THR A 2 6.030 -9.835 1.963 1.00 0.00 H new ATOM 0 HB THR A 2 5.889 -10.874 -0.802 1.00 0.00 H new ATOM 0 HG1 THR A 2 7.751 -12.263 -0.345 1.00 0.00 H new ATOM 0 HG21 THR A 2 8.233 -10.094 -0.917 1.00 0.00 H new ATOM 0 HG22 THR A 2 7.114 -8.819 -0.376 1.00 0.00 H new ATOM 0 HG23 THR A 2 8.151 -9.654 0.806 1.00 0.00 H new ATOM 31 N TYR A 3 4.037 -8.525 1.313 1.00 0.00 N ATOM 32 CA TYR A 3 2.950 -7.658 0.873 1.00 0.00 C ATOM 33 C TYR A 3 3.494 -6.419 0.168 1.00 0.00 C ATOM 34 O TYR A 3 4.583 -5.942 0.486 1.00 0.00 O ATOM 35 CB TYR A 3 2.087 -7.242 2.066 1.00 0.00 C ATOM 36 CG TYR A 3 1.250 -8.370 2.630 1.00 0.00 C ATOM 37 CD1 TYR A 3 1.819 -9.340 3.445 1.00 0.00 C ATOM 38 CD2 TYR A 3 -0.106 -8.462 2.348 1.00 0.00 C ATOM 39 CE1 TYR A 3 1.059 -10.371 3.963 1.00 0.00 C ATOM 40 CE2 TYR A 3 -0.874 -9.489 2.863 1.00 0.00 C ATOM 41 CZ TYR A 3 -0.287 -10.442 3.669 1.00 0.00 C ATOM 42 OH TYR A 3 -1.048 -11.466 4.184 1.00 0.00 O ATOM 0 H TYR A 3 4.515 -8.207 2.156 1.00 0.00 H new ATOM 0 HA TYR A 3 2.336 -8.216 0.166 1.00 0.00 H new ATOM 0 HB2 TYR A 3 2.733 -6.851 2.852 1.00 0.00 H new ATOM 0 HB3 TYR A 3 1.428 -6.429 1.761 1.00 0.00 H new ATOM 0 HD1 TYR A 3 2.872 -9.288 3.678 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -0.569 -7.719 1.716 1.00 0.00 H new ATOM 0 HE1 TYR A 3 1.516 -11.118 4.595 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -1.928 -9.545 2.636 1.00 0.00 H new ATOM 0 HH TYR A 3 -1.975 -11.369 3.882 1.00 0.00 H new ATOM 52 N LYS A 4 2.731 -5.905 -0.792 1.00 0.00 N ATOM 53 CA LYS A 4 3.143 -4.723 -1.542 1.00 0.00 C ATOM 54 C LYS A 4 1.983 -3.752 -1.713 1.00 0.00 C ATOM 55 O LYS A 4 0.821 -4.155 -1.759 1.00 0.00 O ATOM 56 CB LYS A 4 3.695 -5.132 -2.909 1.00 0.00 C ATOM 57 CG LYS A 4 5.024 -5.866 -2.832 1.00 0.00 C ATOM 58 CD LYS A 4 4.842 -7.371 -2.974 1.00 0.00 C ATOM 59 CE LYS A 4 5.429 -7.884 -4.280 1.00 0.00 C ATOM 60 NZ LYS A 4 5.583 -9.365 -4.276 1.00 0.00 N ATOM 0 H LYS A 4 1.827 -6.287 -1.068 1.00 0.00 H new ATOM 0 HA LYS A 4 3.927 -4.219 -0.978 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.966 -5.769 -3.411 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.817 -4.241 -3.524 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.687 -5.503 -3.618 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.507 -5.646 -1.880 1.00 0.00 H new ATOM 0 HD2 LYS A 4 5.321 -7.877 -2.136 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.781 -7.616 -2.930 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.785 -7.588 -5.108 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.400 -7.419 -4.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.986 -9.675 -5.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.218 -9.646 -3.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 4.653 -9.810 -4.140 1.00 0.00 H new ATOM 74 N LEU A 5 2.310 -2.467 -1.796 1.00 0.00 N ATOM 75 CA LEU A 5 1.301 -1.431 -1.951 1.00 0.00 C ATOM 76 C LEU A 5 1.608 -0.544 -3.155 1.00 0.00 C ATOM 77 O LEU A 5 2.713 -0.017 -3.287 1.00 0.00 O ATOM 78 CB LEU A 5 1.220 -0.595 -0.671 1.00 0.00 C ATOM 79 CG LEU A 5 0.664 0.825 -0.839 1.00 0.00 C ATOM 80 CD1 LEU A 5 -0.653 0.802 -1.603 1.00 0.00 C ATOM 81 CD2 LEU A 5 0.481 1.491 0.518 1.00 0.00 C ATOM 0 H LEU A 5 3.268 -2.120 -1.758 1.00 0.00 H new ATOM 0 HA LEU A 5 0.336 -1.906 -2.127 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.598 -1.126 0.049 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.219 -0.526 -0.240 1.00 0.00 H new ATOM 0 HG LEU A 5 1.383 1.406 -1.416 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -1.029 1.819 -1.710 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.494 0.368 -2.590 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.380 0.202 -1.056 1.00 0.00 H new ATOM 0 HD21 LEU A 5 0.086 2.497 0.379 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.216 0.907 1.119 1.00 0.00 H new ATOM 0 HD23 LEU A 5 1.442 1.546 1.029 1.00 0.00 H new ATOM 93 N ILE A 6 0.619 -0.381 -4.030 1.00 0.00 N ATOM 94 CA ILE A 6 0.776 0.445 -5.222 1.00 0.00 C ATOM 95 C ILE A 6 0.065 1.783 -5.057 1.00 0.00 C ATOM 96 O ILE A 6 -1.162 1.842 -4.977 1.00 0.00 O ATOM 97 CB ILE A 6 0.238 -0.270 -6.476 1.00 0.00 C ATOM 98 CG1 ILE A 6 0.881 -1.647 -6.619 1.00 0.00 C ATOM 99 CG2 ILE A 6 0.491 0.568 -7.722 1.00 0.00 C ATOM 100 CD1 ILE A 6 2.385 -1.588 -6.728 1.00 0.00 C ATOM 0 H ILE A 6 -0.301 -0.811 -3.935 1.00 0.00 H new ATOM 0 HA ILE A 6 1.844 0.621 -5.351 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.838 -0.399 -6.363 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.608 -2.260 -5.760 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.477 -2.140 -7.503 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.104 0.046 -8.597 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.012 1.530 -7.622 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.562 0.729 -7.841 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.783 -2.598 -6.827 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.664 -1.001 -7.603 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.797 -1.122 -5.833 1.00 0.00 H new ATOM 112 N LEU A 7 0.847 2.857 -4.999 1.00 0.00 N ATOM 113 CA LEU A 7 0.298 4.198 -4.837 1.00 0.00 C ATOM 114 C LEU A 7 0.227 4.925 -6.175 1.00 0.00 C ATOM 115 O LEU A 7 1.202 4.962 -6.926 1.00 0.00 O ATOM 116 CB LEU A 7 1.149 5.002 -3.852 1.00 0.00 C ATOM 117 CG LEU A 7 1.612 4.230 -2.613 1.00 0.00 C ATOM 118 CD1 LEU A 7 3.077 4.514 -2.322 1.00 0.00 C ATOM 119 CD2 LEU A 7 0.750 4.587 -1.411 1.00 0.00 C ATOM 0 H LEU A 7 1.865 2.824 -5.062 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.714 4.104 -4.443 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.028 5.377 -4.377 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.577 5.871 -3.527 1.00 0.00 H new ATOM 0 HG LEU A 7 1.503 3.164 -2.812 1.00 0.00 H new ATOM 0 HD11 LEU A 7 3.387 3.956 -1.438 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.683 4.209 -3.175 1.00 0.00 H new ATOM 0 HD13 LEU A 7 3.212 5.581 -2.144 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.093 4.030 -0.539 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.828 5.656 -1.212 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.289 4.332 -1.620 1.00 0.00 H new ATOM 131 N ASN A 8 -0.932 5.508 -6.465 1.00 0.00 N ATOM 132 CA ASN A 8 -1.130 6.240 -7.710 1.00 0.00 C ATOM 133 C ASN A 8 -1.661 7.643 -7.434 1.00 0.00 C ATOM 134 O ASN A 8 -2.848 7.828 -7.169 1.00 0.00 O ATOM 135 CB ASN A 8 -2.097 5.485 -8.629 1.00 0.00 C ATOM 136 CG ASN A 8 -1.708 5.591 -10.091 1.00 0.00 C ATOM 137 OD1 ASN A 8 -1.776 4.612 -10.834 1.00 0.00 O ATOM 138 ND2 ASN A 8 -1.297 6.776 -10.510 1.00 0.00 N ATOM 0 H ASN A 8 -1.748 5.487 -5.854 1.00 0.00 H new ATOM 0 HA ASN A 8 -0.165 6.326 -8.209 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -2.124 4.435 -8.339 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -3.104 5.879 -8.494 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -1.021 6.905 -11.483 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -1.256 7.561 -9.860 1.00 0.00 H new ATOM 145 N LEU A 9 -0.772 8.629 -7.500 1.00 0.00 N ATOM 146 CA LEU A 9 -1.152 10.015 -7.257 1.00 0.00 C ATOM 147 C LEU A 9 -1.016 10.845 -8.528 1.00 0.00 C ATOM 148 O LEU A 9 -0.280 10.484 -9.446 1.00 0.00 O ATOM 149 CB LEU A 9 -0.287 10.618 -6.146 1.00 0.00 C ATOM 150 CG LEU A 9 -0.326 9.854 -4.814 1.00 0.00 C ATOM 151 CD1 LEU A 9 1.081 9.623 -4.285 1.00 0.00 C ATOM 152 CD2 LEU A 9 -1.162 10.618 -3.795 1.00 0.00 C ATOM 0 H LEU A 9 0.215 8.494 -7.719 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.196 10.029 -6.943 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.745 10.663 -6.493 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.610 11.644 -5.970 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.787 8.881 -4.986 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.030 9.080 -3.341 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.651 9.040 -5.009 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.572 10.583 -4.126 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.183 10.067 -2.855 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.724 11.602 -3.629 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.179 10.732 -4.171 1.00 0.00 H new ATOM 164 N LYS A 10 -1.733 11.961 -8.574 1.00 0.00 N ATOM 165 CA LYS A 10 -1.695 12.847 -9.734 1.00 0.00 C ATOM 166 C LYS A 10 -0.265 13.276 -10.052 1.00 0.00 C ATOM 167 O LYS A 10 0.121 13.371 -11.219 1.00 0.00 O ATOM 168 CB LYS A 10 -2.566 14.083 -9.490 1.00 0.00 C ATOM 169 CG LYS A 10 -3.271 14.587 -10.737 1.00 0.00 C ATOM 170 CD LYS A 10 -2.624 15.857 -11.273 1.00 0.00 C ATOM 171 CE LYS A 10 -2.251 15.721 -12.742 1.00 0.00 C ATOM 172 NZ LYS A 10 -2.536 16.967 -13.507 1.00 0.00 N ATOM 0 H LYS A 10 -2.348 12.275 -7.823 1.00 0.00 H new ATOM 0 HA LYS A 10 -2.087 12.295 -10.588 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.312 13.847 -8.731 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.943 14.882 -9.087 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.249 13.814 -11.506 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.319 14.780 -10.510 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.309 16.695 -11.147 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.731 16.085 -10.690 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.192 15.478 -12.826 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.804 14.891 -13.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.268 16.832 -14.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.551 17.186 -13.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.989 17.754 -13.105 1.00 0.00 H new ATOM 186 N GLN A 11 0.519 13.541 -9.011 1.00 0.00 N ATOM 187 CA GLN A 11 1.905 13.966 -9.185 1.00 0.00 C ATOM 188 C GLN A 11 2.740 12.854 -9.812 1.00 0.00 C ATOM 189 O GLN A 11 3.284 13.011 -10.903 1.00 0.00 O ATOM 190 CB GLN A 11 2.504 14.375 -7.837 1.00 0.00 C ATOM 191 CG GLN A 11 3.119 15.772 -7.849 1.00 0.00 C ATOM 192 CD GLN A 11 4.597 15.765 -7.514 1.00 0.00 C ATOM 193 OE1 GLN A 11 4.981 15.765 -6.345 1.00 0.00 O ATOM 194 NE2 GLN A 11 5.438 15.757 -8.541 1.00 0.00 N ATOM 0 H GLN A 11 0.219 13.469 -8.039 1.00 0.00 H new ATOM 0 HA GLN A 11 1.917 14.825 -9.856 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.726 14.334 -7.074 1.00 0.00 H new ATOM 0 HB3 GLN A 11 3.268 13.652 -7.552 1.00 0.00 H new ATOM 0 HG2 GLN A 11 2.976 16.219 -8.833 1.00 0.00 H new ATOM 0 HG3 GLN A 11 2.592 16.403 -7.133 1.00 0.00 H new ATOM 0 HE21 GLN A 11 5.078 15.757 -9.495 1.00 0.00 H new ATOM 0 HE22 GLN A 11 6.445 15.751 -8.376 1.00 0.00 H new ATOM 203 N ALA A 12 2.835 11.722 -9.110 1.00 0.00 N ATOM 204 CA ALA A 12 3.605 10.583 -9.599 1.00 0.00 C ATOM 205 C ALA A 12 3.159 9.292 -8.932 1.00 0.00 C ATOM 206 O ALA A 12 2.200 9.283 -8.162 1.00 0.00 O ATOM 207 CB ALA A 12 5.092 10.814 -9.372 1.00 0.00 C ATOM 0 H ALA A 12 2.389 11.573 -8.205 1.00 0.00 H new ATOM 0 HA ALA A 12 3.424 10.487 -10.670 1.00 0.00 H new ATOM 0 HB1 ALA A 12 5.654 9.956 -9.742 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.406 11.711 -9.905 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.282 10.940 -8.306 1.00 0.00 H new ATOM 213 N LYS A 13 3.858 8.203 -9.235 1.00 0.00 N ATOM 214 CA LYS A 13 3.535 6.903 -8.669 1.00 0.00 C ATOM 215 C LYS A 13 4.653 6.417 -7.752 1.00 0.00 C ATOM 216 O LYS A 13 5.834 6.572 -8.061 1.00 0.00 O ATOM 217 CB LYS A 13 3.294 5.889 -9.787 1.00 0.00 C ATOM 218 CG LYS A 13 2.961 4.496 -9.284 1.00 0.00 C ATOM 219 CD LYS A 13 3.200 3.444 -10.355 1.00 0.00 C ATOM 220 CE LYS A 13 2.130 3.495 -11.434 1.00 0.00 C ATOM 221 NZ LYS A 13 2.661 3.088 -12.756 1.00 0.00 N ATOM 0 H LYS A 13 4.654 8.198 -9.872 1.00 0.00 H new ATOM 0 HA LYS A 13 2.626 7.003 -8.076 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.478 6.243 -10.417 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.183 5.836 -10.416 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.569 4.269 -8.408 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.919 4.462 -8.966 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.180 3.598 -10.806 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.211 2.454 -9.898 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.303 2.841 -11.157 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.728 4.506 -11.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 1.902 3.136 -13.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.433 3.728 -13.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.022 2.114 -12.700 1.00 0.00 H new ATOM 235 N GLU A 14 4.272 5.824 -6.626 1.00 0.00 N ATOM 236 CA GLU A 14 5.240 5.310 -5.664 1.00 0.00 C ATOM 237 C GLU A 14 4.942 3.853 -5.320 1.00 0.00 C ATOM 238 O GLU A 14 3.782 3.449 -5.250 1.00 0.00 O ATOM 239 CB GLU A 14 5.232 6.163 -4.393 1.00 0.00 C ATOM 240 CG GLU A 14 6.452 7.060 -4.255 1.00 0.00 C ATOM 241 CD GLU A 14 6.272 8.397 -4.944 1.00 0.00 C ATOM 242 OE1 GLU A 14 5.164 8.964 -4.852 1.00 0.00 O ATOM 243 OE2 GLU A 14 7.238 8.867 -5.573 1.00 0.00 O ATOM 0 H GLU A 14 3.298 5.687 -6.357 1.00 0.00 H new ATOM 0 HA GLU A 14 6.230 5.361 -6.118 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.334 6.781 -4.386 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.174 5.506 -3.525 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.659 7.225 -3.198 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.321 6.553 -4.675 1.00 0.00 H new ATOM 250 N GLU A 15 5.994 3.069 -5.110 1.00 0.00 N ATOM 251 CA GLU A 15 5.838 1.658 -4.779 1.00 0.00 C ATOM 252 C GLU A 15 6.227 1.381 -3.333 1.00 0.00 C ATOM 253 O GLU A 15 7.349 1.665 -2.913 1.00 0.00 O ATOM 254 CB GLU A 15 6.687 0.793 -5.711 1.00 0.00 C ATOM 255 CG GLU A 15 6.128 0.685 -7.119 1.00 0.00 C ATOM 256 CD GLU A 15 6.684 -0.503 -7.879 1.00 0.00 C ATOM 257 OE1 GLU A 15 7.746 -1.021 -7.476 1.00 0.00 O ATOM 258 OE2 GLU A 15 6.058 -0.915 -8.878 1.00 0.00 O ATOM 0 H GLU A 15 6.962 3.386 -5.163 1.00 0.00 H new ATOM 0 HA GLU A 15 4.786 1.405 -4.908 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.694 1.207 -5.760 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.774 -0.207 -5.286 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.042 0.604 -7.069 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.354 1.600 -7.667 1.00 0.00 H new ATOM 265 N ALA A 16 5.297 0.808 -2.580 1.00 0.00 N ATOM 266 CA ALA A 16 5.540 0.469 -1.185 1.00 0.00 C ATOM 267 C ALA A 16 5.630 -1.042 -1.018 1.00 0.00 C ATOM 268 O ALA A 16 4.800 -1.781 -1.545 1.00 0.00 O ATOM 269 CB ALA A 16 4.444 1.040 -0.298 1.00 0.00 C ATOM 0 H ALA A 16 4.364 0.568 -2.914 1.00 0.00 H new ATOM 0 HA ALA A 16 6.490 0.909 -0.881 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.642 0.776 0.741 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.422 2.125 -0.399 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.481 0.628 -0.599 1.00 0.00 H new ATOM 275 N ILE A 17 6.645 -1.499 -0.295 1.00 0.00 N ATOM 276 CA ILE A 17 6.833 -2.929 -0.081 1.00 0.00 C ATOM 277 C ILE A 17 7.266 -3.228 1.348 1.00 0.00 C ATOM 278 O ILE A 17 7.796 -2.362 2.045 1.00 0.00 O ATOM 279 CB ILE A 17 7.869 -3.511 -1.066 1.00 0.00 C ATOM 280 CG1 ILE A 17 9.261 -2.934 -0.792 1.00 0.00 C ATOM 281 CG2 ILE A 17 7.447 -3.233 -2.504 1.00 0.00 C ATOM 282 CD1 ILE A 17 9.377 -1.454 -1.089 1.00 0.00 C ATOM 0 H ILE A 17 7.346 -0.906 0.150 1.00 0.00 H new ATOM 0 HA ILE A 17 5.869 -3.404 -0.260 1.00 0.00 H new ATOM 0 HB ILE A 17 7.914 -4.590 -0.920 1.00 0.00 H new ATOM 0 HG12 ILE A 17 9.517 -3.107 0.253 1.00 0.00 H new ATOM 0 HG13 ILE A 17 9.993 -3.474 -1.392 1.00 0.00 H new ATOM 0 HG21 ILE A 17 8.187 -3.649 -3.187 1.00 0.00 H new ATOM 0 HG22 ILE A 17 6.478 -3.694 -2.694 1.00 0.00 H new ATOM 0 HG23 ILE A 17 7.374 -2.157 -2.660 1.00 0.00 H new ATOM 0 HD11 ILE A 17 10.391 -1.117 -0.871 1.00 0.00 H new ATOM 0 HD12 ILE A 17 9.154 -1.275 -2.141 1.00 0.00 H new ATOM 0 HD13 ILE A 17 8.670 -0.902 -0.469 1.00 0.00 H new ATOM 294 N LYS A 18 7.026 -4.460 1.777 1.00 0.00 N ATOM 295 CA LYS A 18 7.377 -4.885 3.124 1.00 0.00 C ATOM 296 C LYS A 18 7.248 -6.401 3.260 1.00 0.00 C ATOM 297 O LYS A 18 6.356 -7.013 2.672 1.00 0.00 O ATOM 298 CB LYS A 18 6.472 -4.173 4.138 1.00 0.00 C ATOM 299 CG LYS A 18 6.423 -4.840 5.505 1.00 0.00 C ATOM 300 CD LYS A 18 6.449 -3.816 6.630 1.00 0.00 C ATOM 301 CE LYS A 18 7.837 -3.696 7.240 1.00 0.00 C ATOM 302 NZ LYS A 18 8.721 -2.805 6.438 1.00 0.00 N ATOM 0 H LYS A 18 6.588 -5.185 1.208 1.00 0.00 H new ATOM 0 HA LYS A 18 8.415 -4.617 3.323 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.818 -3.146 4.259 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.461 -4.123 3.734 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.519 -5.444 5.583 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.270 -5.518 5.610 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.133 -2.845 6.248 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.734 -4.103 7.402 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.755 -3.308 8.255 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.288 -4.685 7.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.652 -2.736 6.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.834 -3.198 5.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.295 -1.858 6.376 1.00 0.00 H new ATOM 316 N GLU A 19 8.143 -7.001 4.037 1.00 0.00 N ATOM 317 CA GLU A 19 8.128 -8.445 4.245 1.00 0.00 C ATOM 318 C GLU A 19 7.715 -8.787 5.674 1.00 0.00 C ATOM 319 O GLU A 19 8.419 -8.465 6.628 1.00 0.00 O ATOM 320 CB GLU A 19 9.503 -9.040 3.943 1.00 0.00 C ATOM 321 CG GLU A 19 10.644 -8.293 4.606 1.00 0.00 C ATOM 322 CD GLU A 19 11.994 -8.900 4.288 1.00 0.00 C ATOM 323 OE1 GLU A 19 12.604 -8.502 3.272 1.00 0.00 O ATOM 324 OE2 GLU A 19 12.453 -9.775 5.057 1.00 0.00 O ATOM 0 H GLU A 19 8.887 -6.511 4.533 1.00 0.00 H new ATOM 0 HA GLU A 19 7.396 -8.876 3.562 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.520 -10.079 4.271 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.660 -9.044 2.864 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.631 -7.253 4.281 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.495 -8.291 5.686 1.00 0.00 H new ATOM 331 N ALA A 20 6.566 -9.441 5.811 1.00 0.00 N ATOM 332 CA ALA A 20 6.059 -9.830 7.122 1.00 0.00 C ATOM 333 C ALA A 20 5.445 -11.225 7.080 1.00 0.00 C ATOM 334 O ALA A 20 5.111 -11.736 6.012 1.00 0.00 O ATOM 335 CB ALA A 20 5.035 -8.816 7.612 1.00 0.00 C ATOM 0 H ALA A 20 5.968 -9.713 5.030 1.00 0.00 H new ATOM 0 HA ALA A 20 6.897 -9.851 7.818 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.664 -9.118 8.592 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.503 -7.834 7.688 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.204 -8.769 6.908 1.00 0.00 H new ATOM 341 N VAL A 21 5.302 -11.838 8.252 1.00 0.00 N ATOM 342 CA VAL A 21 4.730 -13.178 8.349 1.00 0.00 C ATOM 343 C VAL A 21 3.220 -13.132 8.579 1.00 0.00 C ATOM 344 O VAL A 21 2.631 -14.102 9.055 1.00 0.00 O ATOM 345 CB VAL A 21 5.384 -13.985 9.487 1.00 0.00 C ATOM 346 CG1 VAL A 21 6.827 -14.318 9.145 1.00 0.00 C ATOM 347 CG2 VAL A 21 5.303 -13.218 10.799 1.00 0.00 C ATOM 0 H VAL A 21 5.574 -11.429 9.146 1.00 0.00 H new ATOM 0 HA VAL A 21 4.929 -13.669 7.396 1.00 0.00 H new ATOM 0 HB VAL A 21 4.838 -14.921 9.605 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.272 -14.888 9.961 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.857 -14.910 8.230 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.388 -13.395 8.999 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.770 -13.803 11.592 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.823 -12.266 10.696 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.258 -13.036 11.050 1.00 0.00 H new ATOM 357 N ASP A 22 2.597 -12.008 8.237 1.00 0.00 N ATOM 358 CA ASP A 22 1.157 -11.851 8.410 1.00 0.00 C ATOM 359 C ASP A 22 0.637 -10.687 7.571 1.00 0.00 C ATOM 360 O ASP A 22 1.332 -10.191 6.684 1.00 0.00 O ATOM 361 CB ASP A 22 0.822 -11.630 9.887 1.00 0.00 C ATOM 362 CG ASP A 22 -0.061 -12.726 10.450 1.00 0.00 C ATOM 363 OD1 ASP A 22 -1.046 -13.099 9.777 1.00 0.00 O ATOM 364 OD2 ASP A 22 0.232 -13.212 11.562 1.00 0.00 O ATOM 0 H ASP A 22 3.066 -11.194 7.839 1.00 0.00 H new ATOM 0 HA ASP A 22 0.669 -12.765 8.071 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.746 -11.580 10.463 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.322 -10.669 10.003 1.00 0.00 H new ATOM 369 N ALA A 23 -0.589 -10.253 7.855 1.00 0.00 N ATOM 370 CA ALA A 23 -1.194 -9.146 7.124 1.00 0.00 C ATOM 371 C ALA A 23 -1.432 -7.950 8.036 1.00 0.00 C ATOM 372 O ALA A 23 -1.251 -6.803 7.627 1.00 0.00 O ATOM 373 CB ALA A 23 -2.498 -9.587 6.482 1.00 0.00 C ATOM 0 H ALA A 23 -1.180 -10.651 8.585 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.500 -8.841 6.341 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.938 -8.750 5.940 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.304 -10.406 5.789 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.189 -9.922 7.255 1.00 0.00 H new ATOM 379 N GLY A 24 -1.837 -8.221 9.274 1.00 0.00 N ATOM 380 CA GLY A 24 -2.087 -7.149 10.223 1.00 0.00 C ATOM 381 C GLY A 24 -0.943 -6.156 10.276 1.00 0.00 C ATOM 382 O GLY A 24 -1.148 -4.968 10.524 1.00 0.00 O ATOM 0 H GLY A 24 -1.996 -9.161 9.636 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.005 -6.629 9.949 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.245 -7.573 11.215 1.00 0.00 H new ATOM 386 N THR A 25 0.265 -6.649 10.030 1.00 0.00 N ATOM 387 CA THR A 25 1.454 -5.808 10.036 1.00 0.00 C ATOM 388 C THR A 25 1.594 -5.072 8.710 1.00 0.00 C ATOM 389 O THR A 25 2.160 -3.981 8.653 1.00 0.00 O ATOM 390 CB THR A 25 2.701 -6.652 10.301 1.00 0.00 C ATOM 391 OG1 THR A 25 2.514 -7.484 11.432 1.00 0.00 O ATOM 392 CG2 THR A 25 3.944 -5.823 10.541 1.00 0.00 C ATOM 0 H THR A 25 0.446 -7.631 9.823 1.00 0.00 H new ATOM 0 HA THR A 25 1.350 -5.073 10.834 1.00 0.00 H new ATOM 0 HB THR A 25 2.847 -7.243 9.397 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.322 -8.017 11.583 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.792 -6.483 10.723 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.145 -5.207 9.665 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.791 -5.181 11.409 1.00 0.00 H new ATOM 400 N ALA A 26 1.067 -5.671 7.644 1.00 0.00 N ATOM 401 CA ALA A 26 1.129 -5.062 6.322 1.00 0.00 C ATOM 402 C ALA A 26 0.108 -3.939 6.200 1.00 0.00 C ATOM 403 O ALA A 26 0.391 -2.884 5.633 1.00 0.00 O ATOM 404 CB ALA A 26 0.900 -6.112 5.245 1.00 0.00 C ATOM 0 H ALA A 26 0.594 -6.574 7.672 1.00 0.00 H new ATOM 0 HA ALA A 26 2.123 -4.636 6.185 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.949 -5.642 4.263 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.668 -6.882 5.318 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.082 -6.565 5.382 1.00 0.00 H new ATOM 410 N GLU A 27 -1.082 -4.171 6.747 1.00 0.00 N ATOM 411 CA GLU A 27 -2.148 -3.178 6.710 1.00 0.00 C ATOM 412 C GLU A 27 -1.788 -1.977 7.578 1.00 0.00 C ATOM 413 O GLU A 27 -1.699 -0.850 7.092 1.00 0.00 O ATOM 414 CB GLU A 27 -3.464 -3.791 7.185 1.00 0.00 C ATOM 415 CG GLU A 27 -4.636 -2.824 7.150 1.00 0.00 C ATOM 416 CD GLU A 27 -5.963 -3.505 7.425 1.00 0.00 C ATOM 417 OE1 GLU A 27 -6.577 -4.019 6.468 1.00 0.00 O ATOM 418 OE2 GLU A 27 -6.387 -3.523 8.599 1.00 0.00 O ATOM 0 H GLU A 27 -1.331 -5.039 7.221 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.269 -2.842 5.680 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.698 -4.654 6.562 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.337 -4.158 8.204 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.476 -2.038 7.888 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.675 -2.342 6.173 1.00 0.00 H new ATOM 425 N LYS A 28 -1.580 -2.228 8.869 1.00 0.00 N ATOM 426 CA LYS A 28 -1.227 -1.168 9.810 1.00 0.00 C ATOM 427 C LYS A 28 0.010 -0.402 9.341 1.00 0.00 C ATOM 428 O LYS A 28 0.097 0.814 9.510 1.00 0.00 O ATOM 429 CB LYS A 28 -0.980 -1.755 11.201 1.00 0.00 C ATOM 430 CG LYS A 28 -2.174 -1.631 12.134 1.00 0.00 C ATOM 431 CD LYS A 28 -2.450 -0.179 12.493 1.00 0.00 C ATOM 432 CE LYS A 28 -1.315 0.419 13.308 1.00 0.00 C ATOM 433 NZ LYS A 28 -1.682 1.741 13.888 1.00 0.00 N ATOM 0 H LYS A 28 -1.650 -3.156 9.287 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.063 -0.470 9.858 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.716 -2.808 11.100 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.124 -1.253 11.651 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.055 -2.064 11.660 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.988 -2.203 13.043 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.590 0.402 11.581 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.379 -0.113 13.059 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.044 -0.267 14.111 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.435 0.532 12.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.881 2.114 14.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.916 2.404 13.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.506 1.629 14.512 1.00 0.00 H new ATOM 447 N TYR A 29 0.963 -1.118 8.752 1.00 0.00 N ATOM 448 CA TYR A 29 2.191 -0.498 8.261 1.00 0.00 C ATOM 449 C TYR A 29 1.908 0.334 7.013 1.00 0.00 C ATOM 450 O TYR A 29 2.263 1.511 6.945 1.00 0.00 O ATOM 451 CB TYR A 29 3.249 -1.567 7.954 1.00 0.00 C ATOM 452 CG TYR A 29 4.489 -1.023 7.279 1.00 0.00 C ATOM 453 CD1 TYR A 29 4.493 -0.730 5.921 1.00 0.00 C ATOM 454 CD2 TYR A 29 5.656 -0.803 8.000 1.00 0.00 C ATOM 455 CE1 TYR A 29 5.623 -0.233 5.301 1.00 0.00 C ATOM 456 CE2 TYR A 29 6.792 -0.307 7.387 1.00 0.00 C ATOM 457 CZ TYR A 29 6.769 -0.023 6.039 1.00 0.00 C ATOM 458 OH TYR A 29 7.897 0.471 5.424 1.00 0.00 O ATOM 0 H TYR A 29 0.910 -2.126 8.603 1.00 0.00 H new ATOM 0 HA TYR A 29 2.576 0.160 9.040 1.00 0.00 H new ATOM 0 HB2 TYR A 29 3.538 -2.056 8.884 1.00 0.00 H new ATOM 0 HB3 TYR A 29 2.805 -2.331 7.316 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.597 -0.894 5.340 1.00 0.00 H new ATOM 0 HD2 TYR A 29 5.676 -1.023 9.057 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.609 -0.010 4.244 1.00 0.00 H new ATOM 0 HE2 TYR A 29 7.692 -0.143 7.961 1.00 0.00 H new ATOM 0 HH TYR A 29 8.616 0.562 6.084 1.00 0.00 H new ATOM 468 N PHE A 30 1.259 -0.283 6.029 1.00 0.00 N ATOM 469 CA PHE A 30 0.924 0.407 4.790 1.00 0.00 C ATOM 470 C PHE A 30 0.033 1.605 5.089 1.00 0.00 C ATOM 471 O PHE A 30 0.219 2.687 4.531 1.00 0.00 O ATOM 472 CB PHE A 30 0.228 -0.545 3.808 1.00 0.00 C ATOM 473 CG PHE A 30 1.180 -1.393 2.996 1.00 0.00 C ATOM 474 CD1 PHE A 30 2.417 -0.895 2.605 1.00 0.00 C ATOM 475 CD2 PHE A 30 0.838 -2.689 2.619 1.00 0.00 C ATOM 476 CE1 PHE A 30 3.289 -1.668 1.861 1.00 0.00 C ATOM 477 CE2 PHE A 30 1.710 -3.462 1.875 1.00 0.00 C ATOM 478 CZ PHE A 30 2.936 -2.952 1.496 1.00 0.00 C ATOM 0 H PHE A 30 0.956 -1.256 6.067 1.00 0.00 H new ATOM 0 HA PHE A 30 1.846 0.757 4.326 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.441 -1.200 4.366 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.392 0.040 3.128 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.701 0.108 2.886 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.119 -3.095 2.911 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.247 -1.267 1.565 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.432 -4.466 1.590 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.617 -3.556 0.915 1.00 0.00 H new ATOM 488 N LYS A 31 -0.931 1.409 5.984 1.00 0.00 N ATOM 489 CA LYS A 31 -1.841 2.479 6.367 1.00 0.00 C ATOM 490 C LYS A 31 -1.071 3.674 6.935 1.00 0.00 C ATOM 491 O LYS A 31 -1.481 4.823 6.761 1.00 0.00 O ATOM 492 CB LYS A 31 -2.852 1.973 7.398 1.00 0.00 C ATOM 493 CG LYS A 31 -4.175 2.721 7.371 1.00 0.00 C ATOM 494 CD LYS A 31 -4.032 4.132 7.918 1.00 0.00 C ATOM 495 CE LYS A 31 -5.091 4.432 8.968 1.00 0.00 C ATOM 496 NZ LYS A 31 -4.631 4.076 10.338 1.00 0.00 N ATOM 0 H LYS A 31 -1.100 0.521 6.456 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.375 2.805 5.474 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.039 0.914 7.221 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.416 2.058 8.394 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.549 2.763 6.348 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.914 2.176 7.958 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.041 4.256 8.354 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.113 4.850 7.102 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.346 5.491 8.934 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.000 3.878 8.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.381 4.296 11.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.412 3.060 10.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.778 4.623 10.571 1.00 0.00 H new ATOM 510 N LEU A 32 0.041 3.400 7.617 1.00 0.00 N ATOM 511 CA LEU A 32 0.855 4.453 8.209 1.00 0.00 C ATOM 512 C LEU A 32 1.547 5.289 7.134 1.00 0.00 C ATOM 513 O LEU A 32 1.627 6.512 7.247 1.00 0.00 O ATOM 514 CB LEU A 32 1.890 3.844 9.159 1.00 0.00 C ATOM 515 CG LEU A 32 1.334 3.270 10.473 1.00 0.00 C ATOM 516 CD1 LEU A 32 2.005 3.932 11.660 1.00 0.00 C ATOM 517 CD2 LEU A 32 -0.179 3.435 10.567 1.00 0.00 C ATOM 0 H LEU A 32 0.396 2.456 7.771 1.00 0.00 H new ATOM 0 HA LEU A 32 0.198 5.114 8.774 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.417 3.049 8.631 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.628 4.609 9.402 1.00 0.00 H new ATOM 0 HG LEU A 32 1.553 2.202 10.484 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.602 3.517 12.584 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.079 3.751 11.619 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.817 5.005 11.632 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.533 3.017 11.509 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.433 4.494 10.522 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.654 2.912 9.737 1.00 0.00 H new ATOM 529 N ILE A 33 2.039 4.632 6.084 1.00 0.00 N ATOM 530 CA ILE A 33 2.711 5.338 5.002 1.00 0.00 C ATOM 531 C ILE A 33 1.694 6.044 4.111 1.00 0.00 C ATOM 532 O ILE A 33 1.932 7.157 3.639 1.00 0.00 O ATOM 533 CB ILE A 33 3.580 4.388 4.148 1.00 0.00 C ATOM 534 CG1 ILE A 33 4.350 5.175 3.084 1.00 0.00 C ATOM 535 CG2 ILE A 33 2.724 3.309 3.501 1.00 0.00 C ATOM 536 CD1 ILE A 33 5.771 5.505 3.489 1.00 0.00 C ATOM 0 H ILE A 33 1.984 3.621 5.963 1.00 0.00 H new ATOM 0 HA ILE A 33 3.368 6.078 5.459 1.00 0.00 H new ATOM 0 HB ILE A 33 4.301 3.902 4.805 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.369 4.598 2.159 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.817 6.101 2.871 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.357 2.652 2.905 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.225 2.727 4.276 1.00 0.00 H new ATOM 0 HG23 ILE A 33 1.976 3.774 2.858 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.257 6.063 2.689 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.760 6.108 4.397 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.320 4.582 3.674 1.00 0.00 H new ATOM 548 N ALA A 34 0.552 5.397 3.900 1.00 0.00 N ATOM 549 CA ALA A 34 -0.507 5.971 3.082 1.00 0.00 C ATOM 550 C ALA A 34 -0.926 7.328 3.629 1.00 0.00 C ATOM 551 O ALA A 34 -0.600 8.367 3.059 1.00 0.00 O ATOM 552 CB ALA A 34 -1.701 5.030 3.021 1.00 0.00 C ATOM 0 H ALA A 34 0.338 4.477 4.284 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.125 6.110 2.071 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.483 5.474 2.406 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.393 4.079 2.586 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.083 4.861 4.028 1.00 0.00 H new ATOM 558 N ASN A 35 -1.640 7.315 4.749 1.00 0.00 N ATOM 559 CA ASN A 35 -2.090 8.552 5.378 1.00 0.00 C ATOM 560 C ASN A 35 -0.923 9.522 5.566 1.00 0.00 C ATOM 561 O ASN A 35 -1.115 10.737 5.613 1.00 0.00 O ATOM 562 CB ASN A 35 -2.744 8.251 6.731 1.00 0.00 C ATOM 563 CG ASN A 35 -4.241 8.506 6.723 1.00 0.00 C ATOM 564 OD1 ASN A 35 -4.803 8.979 7.711 1.00 0.00 O ATOM 565 ND2 ASN A 35 -4.898 8.193 5.609 1.00 0.00 N ATOM 0 H ASN A 35 -1.919 6.465 5.239 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.825 9.019 4.723 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.557 7.211 6.998 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -2.278 8.866 7.501 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.905 8.343 5.552 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.394 7.803 4.812 1.00 0.00 H new ATOM 572 N ALA A 36 0.285 8.979 5.678 1.00 0.00 N ATOM 573 CA ALA A 36 1.476 9.800 5.866 1.00 0.00 C ATOM 574 C ALA A 36 2.148 10.150 4.537 1.00 0.00 C ATOM 575 O ALA A 36 3.240 10.719 4.526 1.00 0.00 O ATOM 576 CB ALA A 36 2.463 9.089 6.779 1.00 0.00 C ATOM 0 H ALA A 36 0.465 7.976 5.642 1.00 0.00 H new ATOM 0 HA ALA A 36 1.159 10.734 6.329 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.348 9.711 6.912 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.997 8.908 7.748 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.752 8.138 6.332 1.00 0.00 H new ATOM 582 N LYS A 37 1.510 9.811 3.416 1.00 0.00 N ATOM 583 CA LYS A 37 2.092 10.107 2.107 1.00 0.00 C ATOM 584 C LYS A 37 1.033 10.403 1.039 1.00 0.00 C ATOM 585 O LYS A 37 1.336 10.396 -0.153 1.00 0.00 O ATOM 586 CB LYS A 37 2.997 8.950 1.655 1.00 0.00 C ATOM 587 CG LYS A 37 2.261 7.791 0.992 1.00 0.00 C ATOM 588 CD LYS A 37 2.624 7.667 -0.479 1.00 0.00 C ATOM 589 CE LYS A 37 4.115 7.439 -0.671 1.00 0.00 C ATOM 590 NZ LYS A 37 4.654 6.443 0.295 1.00 0.00 N ATOM 0 H LYS A 37 0.606 9.340 3.387 1.00 0.00 H new ATOM 0 HA LYS A 37 2.687 11.013 2.221 1.00 0.00 H new ATOM 0 HB2 LYS A 37 3.740 9.338 0.958 1.00 0.00 H new ATOM 0 HB3 LYS A 37 3.540 8.571 2.521 1.00 0.00 H new ATOM 0 HG2 LYS A 37 2.505 6.862 1.507 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.185 7.938 1.091 1.00 0.00 H new ATOM 0 HD2 LYS A 37 2.069 6.840 -0.923 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.323 8.572 -1.006 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.301 7.095 -1.688 1.00 0.00 H new ATOM 0 HE3 LYS A 37 4.645 8.384 -0.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.508 6.002 -0.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 4.893 6.920 1.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 3.938 5.711 0.475 1.00 0.00 H new ATOM 604 N THR A 38 -0.199 10.679 1.460 1.00 0.00 N ATOM 605 CA THR A 38 -1.273 10.991 0.513 1.00 0.00 C ATOM 606 C THR A 38 -2.610 11.190 1.225 1.00 0.00 C ATOM 607 O THR A 38 -3.066 12.313 1.399 1.00 0.00 O ATOM 608 CB THR A 38 -1.401 9.898 -0.558 1.00 0.00 C ATOM 609 OG1 THR A 38 -2.730 9.816 -1.044 1.00 0.00 O ATOM 610 CG2 THR A 38 -1.008 8.525 -0.069 1.00 0.00 C ATOM 0 H THR A 38 -0.480 10.694 2.441 1.00 0.00 H new ATOM 0 HA THR A 38 -1.007 11.928 0.024 1.00 0.00 H new ATOM 0 HB THR A 38 -0.710 10.195 -1.347 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.773 9.159 -1.770 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.123 7.804 -0.878 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.031 8.539 0.259 1.00 0.00 H new ATOM 0 HG23 THR A 38 -1.648 8.239 0.766 1.00 0.00 H new ATOM 618 N VAL A 39 -3.234 10.087 1.632 1.00 0.00 N ATOM 619 CA VAL A 39 -4.525 10.136 2.322 1.00 0.00 C ATOM 620 C VAL A 39 -5.670 10.324 1.331 1.00 0.00 C ATOM 621 O VAL A 39 -6.670 10.971 1.640 1.00 0.00 O ATOM 622 CB VAL A 39 -4.586 11.270 3.369 1.00 0.00 C ATOM 623 CG1 VAL A 39 -5.752 11.049 4.322 1.00 0.00 C ATOM 624 CG2 VAL A 39 -3.274 11.378 4.134 1.00 0.00 C ATOM 0 H VAL A 39 -2.867 9.145 1.496 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.631 9.180 2.835 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.743 12.212 2.844 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.782 11.856 5.054 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.685 11.036 3.759 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.625 10.097 4.837 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.344 12.184 4.865 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.074 10.438 4.649 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.463 11.589 3.437 1.00 0.00 H new ATOM 634 N GLU A 40 -5.521 9.753 0.140 1.00 0.00 N ATOM 635 CA GLU A 40 -6.548 9.862 -0.891 1.00 0.00 C ATOM 636 C GLU A 40 -6.330 8.832 -1.995 1.00 0.00 C ATOM 637 O GLU A 40 -5.237 8.727 -2.551 1.00 0.00 O ATOM 638 CB GLU A 40 -6.553 11.269 -1.487 1.00 0.00 C ATOM 639 CG GLU A 40 -7.947 11.837 -1.696 1.00 0.00 C ATOM 640 CD GLU A 40 -8.740 11.923 -0.407 1.00 0.00 C ATOM 641 OE1 GLU A 40 -8.383 12.751 0.457 1.00 0.00 O ATOM 642 OE2 GLU A 40 -9.719 11.162 -0.262 1.00 0.00 O ATOM 0 H GLU A 40 -4.702 9.211 -0.135 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.514 9.666 -0.425 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.993 11.935 -0.830 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.030 11.251 -2.443 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.868 12.831 -2.137 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.486 11.214 -2.409 1.00 0.00 H new ATOM 649 N GLY A 41 -7.376 8.074 -2.307 1.00 0.00 N ATOM 650 CA GLY A 41 -7.271 7.062 -3.346 1.00 0.00 C ATOM 651 C GLY A 41 -8.291 5.952 -3.184 1.00 0.00 C ATOM 652 O GLY A 41 -9.090 5.962 -2.249 1.00 0.00 O ATOM 0 H GLY A 41 -8.291 8.140 -1.862 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.403 7.532 -4.321 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.269 6.634 -3.331 1.00 0.00 H new ATOM 656 N VAL A 42 -8.253 4.984 -4.095 1.00 0.00 N ATOM 657 CA VAL A 42 -9.167 3.852 -4.051 1.00 0.00 C ATOM 658 C VAL A 42 -8.445 2.611 -3.551 1.00 0.00 C ATOM 659 O VAL A 42 -7.611 2.035 -4.254 1.00 0.00 O ATOM 660 CB VAL A 42 -9.790 3.559 -5.430 1.00 0.00 C ATOM 661 CG1 VAL A 42 -10.954 2.587 -5.295 1.00 0.00 C ATOM 662 CG2 VAL A 42 -10.241 4.849 -6.100 1.00 0.00 C ATOM 0 H VAL A 42 -7.596 4.963 -4.875 1.00 0.00 H new ATOM 0 HA VAL A 42 -9.972 4.115 -3.365 1.00 0.00 H new ATOM 0 HB VAL A 42 -9.029 3.097 -6.059 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.381 2.392 -6.279 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -10.599 1.652 -4.862 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -11.717 3.020 -4.648 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -10.678 4.621 -7.072 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -10.985 5.343 -5.475 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -9.384 5.509 -6.234 1.00 0.00 H new ATOM 672 N TRP A 43 -8.763 2.225 -2.325 1.00 0.00 N ATOM 673 CA TRP A 43 -8.164 1.079 -1.683 1.00 0.00 C ATOM 674 C TRP A 43 -8.595 -0.226 -2.347 1.00 0.00 C ATOM 675 O TRP A 43 -9.785 -0.470 -2.548 1.00 0.00 O ATOM 676 CB TRP A 43 -8.586 1.093 -0.220 1.00 0.00 C ATOM 677 CG TRP A 43 -7.592 1.765 0.691 1.00 0.00 C ATOM 678 CD1 TRP A 43 -7.445 3.115 0.873 1.00 0.00 C ATOM 679 CD2 TRP A 43 -6.613 1.140 1.544 1.00 0.00 C ATOM 680 NE1 TRP A 43 -6.447 3.365 1.777 1.00 0.00 N ATOM 681 CE2 TRP A 43 -5.920 2.176 2.204 1.00 0.00 C ATOM 682 CE3 TRP A 43 -6.251 -0.189 1.817 1.00 0.00 C ATOM 683 CZ2 TRP A 43 -4.898 1.936 3.113 1.00 0.00 C ATOM 684 CZ3 TRP A 43 -5.213 -0.426 2.737 1.00 0.00 C ATOM 685 CH2 TRP A 43 -4.559 0.638 3.366 1.00 0.00 C ATOM 0 H TRP A 43 -9.452 2.707 -1.747 1.00 0.00 H new ATOM 0 HA TRP A 43 -7.079 1.137 -1.773 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -9.546 1.601 -0.133 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -8.737 0.067 0.115 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -8.032 3.873 0.375 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -6.145 4.290 2.083 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -6.758 -1.010 1.332 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -4.387 2.751 3.605 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -4.918 -1.441 2.960 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.767 0.428 4.069 1.00 0.00 H new ATOM 696 N THR A 44 -7.618 -1.062 -2.677 1.00 0.00 N ATOM 697 CA THR A 44 -7.881 -2.349 -3.310 1.00 0.00 C ATOM 698 C THR A 44 -6.788 -3.345 -2.945 1.00 0.00 C ATOM 699 O THR A 44 -5.638 -2.960 -2.752 1.00 0.00 O ATOM 700 CB THR A 44 -7.962 -2.191 -4.830 1.00 0.00 C ATOM 701 OG1 THR A 44 -7.159 -1.108 -5.264 1.00 0.00 O ATOM 702 CG2 THR A 44 -9.370 -1.952 -5.333 1.00 0.00 C ATOM 0 H THR A 44 -6.629 -0.870 -2.515 1.00 0.00 H new ATOM 0 HA THR A 44 -8.838 -2.725 -2.948 1.00 0.00 H new ATOM 0 HB THR A 44 -7.604 -3.136 -5.239 1.00 0.00 H new ATOM 0 HG1 THR A 44 -7.222 -1.024 -6.238 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.356 -1.849 -6.418 1.00 0.00 H new ATOM 0 HG22 THR A 44 -10.003 -2.795 -5.057 1.00 0.00 H new ATOM 0 HG23 THR A 44 -9.766 -1.040 -4.887 1.00 0.00 H new ATOM 710 N TYR A 45 -7.144 -4.622 -2.848 1.00 0.00 N ATOM 711 CA TYR A 45 -6.169 -5.655 -2.502 1.00 0.00 C ATOM 712 C TYR A 45 -6.435 -6.951 -3.262 1.00 0.00 C ATOM 713 O TYR A 45 -7.582 -7.366 -3.431 1.00 0.00 O ATOM 714 CB TYR A 45 -6.162 -5.912 -0.984 1.00 0.00 C ATOM 715 CG TYR A 45 -5.640 -7.277 -0.583 1.00 0.00 C ATOM 716 CD1 TYR A 45 -6.498 -8.363 -0.473 1.00 0.00 C ATOM 717 CD2 TYR A 45 -4.292 -7.474 -0.314 1.00 0.00 C ATOM 718 CE1 TYR A 45 -6.027 -9.609 -0.102 1.00 0.00 C ATOM 719 CE2 TYR A 45 -3.812 -8.717 0.056 1.00 0.00 C ATOM 720 CZ TYR A 45 -4.683 -9.781 0.159 1.00 0.00 C ATOM 721 OH TYR A 45 -4.209 -11.019 0.527 1.00 0.00 O ATOM 0 H TYR A 45 -8.092 -4.966 -3.002 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.185 -5.291 -2.797 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.553 -5.147 -0.501 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.177 -5.799 -0.604 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.550 -8.233 -0.680 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -3.607 -6.643 -0.395 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -6.708 -10.443 -0.017 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -2.761 -8.854 0.263 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.880 -11.702 0.317 1.00 0.00 H new ATOM 731 N LYS A 46 -5.358 -7.588 -3.706 1.00 0.00 N ATOM 732 CA LYS A 46 -5.449 -8.845 -4.438 1.00 0.00 C ATOM 733 C LYS A 46 -4.691 -9.945 -3.701 1.00 0.00 C ATOM 734 O LYS A 46 -3.479 -9.847 -3.496 1.00 0.00 O ATOM 735 CB LYS A 46 -4.888 -8.677 -5.853 1.00 0.00 C ATOM 736 CG LYS A 46 -3.426 -8.264 -5.881 1.00 0.00 C ATOM 737 CD LYS A 46 -3.180 -7.149 -6.885 1.00 0.00 C ATOM 738 CE LYS A 46 -3.247 -7.660 -8.313 1.00 0.00 C ATOM 739 NZ LYS A 46 -3.122 -6.555 -9.306 1.00 0.00 N ATOM 0 H LYS A 46 -4.405 -7.251 -3.570 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.499 -9.130 -4.508 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -5.002 -9.616 -6.394 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -5.479 -7.930 -6.383 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.121 -7.934 -4.888 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.808 -9.126 -6.134 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.921 -6.362 -6.744 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.202 -6.703 -6.703 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.451 -8.386 -8.476 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.191 -8.182 -8.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.173 -6.946 -10.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.896 -5.875 -9.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.210 -6.073 -9.176 1.00 0.00 H new ATOM 753 N ASP A 47 -5.412 -10.986 -3.298 1.00 0.00 N ATOM 754 CA ASP A 47 -4.811 -12.103 -2.576 1.00 0.00 C ATOM 755 C ASP A 47 -3.919 -12.941 -3.488 1.00 0.00 C ATOM 756 O ASP A 47 -3.087 -13.715 -3.015 1.00 0.00 O ATOM 757 CB ASP A 47 -5.900 -12.982 -1.962 1.00 0.00 C ATOM 758 CG ASP A 47 -5.352 -13.936 -0.918 1.00 0.00 C ATOM 759 OD1 ASP A 47 -5.261 -13.536 0.263 1.00 0.00 O ATOM 760 OD2 ASP A 47 -5.013 -15.083 -1.280 1.00 0.00 O ATOM 0 H ASP A 47 -6.415 -11.080 -3.459 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.190 -11.690 -1.781 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.661 -12.348 -1.507 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.390 -13.553 -2.751 1.00 0.00 H new ATOM 765 N GLU A 48 -4.098 -12.789 -4.798 1.00 0.00 N ATOM 766 CA GLU A 48 -3.299 -13.546 -5.765 1.00 0.00 C ATOM 767 C GLU A 48 -1.804 -13.336 -5.514 1.00 0.00 C ATOM 768 O GLU A 48 -0.996 -14.221 -5.806 1.00 0.00 O ATOM 769 CB GLU A 48 -3.635 -13.155 -7.220 1.00 0.00 C ATOM 770 CG GLU A 48 -5.126 -13.126 -7.569 1.00 0.00 C ATOM 771 CD GLU A 48 -5.798 -11.825 -7.179 1.00 0.00 C ATOM 772 OE1 GLU A 48 -6.287 -11.732 -6.034 1.00 0.00 O ATOM 773 OE2 GLU A 48 -5.836 -10.901 -8.017 1.00 0.00 O ATOM 0 H GLU A 48 -4.781 -12.156 -5.214 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.547 -14.598 -5.627 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.214 -12.169 -7.419 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.137 -13.856 -7.890 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.246 -13.284 -8.641 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.628 -13.953 -7.067 1.00 0.00 H new ATOM 780 N ILE A 49 -1.440 -12.173 -4.992 1.00 0.00 N ATOM 781 CA ILE A 49 -0.040 -11.871 -4.717 1.00 0.00 C ATOM 782 C ILE A 49 0.114 -10.999 -3.472 1.00 0.00 C ATOM 783 O ILE A 49 1.155 -10.373 -3.272 1.00 0.00 O ATOM 784 CB ILE A 49 0.623 -11.157 -5.910 1.00 0.00 C ATOM 785 CG1 ILE A 49 -0.164 -9.900 -6.286 1.00 0.00 C ATOM 786 CG2 ILE A 49 0.727 -12.099 -7.095 1.00 0.00 C ATOM 787 CD1 ILE A 49 0.709 -8.682 -6.492 1.00 0.00 C ATOM 0 H ILE A 49 -2.091 -11.425 -4.751 1.00 0.00 H new ATOM 0 HA ILE A 49 0.455 -12.827 -4.546 1.00 0.00 H new ATOM 0 HB ILE A 49 1.630 -10.855 -5.620 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.727 -10.093 -7.199 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.891 -9.688 -5.502 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.197 -11.581 -7.931 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.329 -12.965 -6.820 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.270 -12.428 -7.387 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.085 -7.828 -6.756 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.252 -8.464 -5.573 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.419 -8.875 -7.296 1.00 0.00 H new ATOM 799 N LYS A 50 -0.923 -10.961 -2.638 1.00 0.00 N ATOM 800 CA LYS A 50 -0.895 -10.167 -1.411 1.00 0.00 C ATOM 801 C LYS A 50 -0.371 -8.756 -1.679 1.00 0.00 C ATOM 802 O LYS A 50 0.791 -8.450 -1.406 1.00 0.00 O ATOM 803 CB LYS A 50 -0.022 -10.851 -0.355 1.00 0.00 C ATOM 804 CG LYS A 50 -0.423 -12.291 -0.077 1.00 0.00 C ATOM 805 CD LYS A 50 -1.154 -12.421 1.251 1.00 0.00 C ATOM 806 CE LYS A 50 -2.048 -13.649 1.276 1.00 0.00 C ATOM 807 NZ LYS A 50 -2.031 -14.322 2.604 1.00 0.00 N ATOM 0 H LYS A 50 -1.793 -11.471 -2.789 1.00 0.00 H new ATOM 0 HA LYS A 50 -1.917 -10.090 -1.039 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.017 -10.829 -0.684 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.075 -10.282 0.573 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.062 -12.653 -0.882 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.466 -12.922 -0.067 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.429 -12.481 2.062 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.755 -11.529 1.426 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.069 -13.359 1.029 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.721 -14.351 0.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.653 -15.155 2.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.061 -14.621 2.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.367 -13.660 3.333 1.00 0.00 H new ATOM 821 N THR A 51 -1.233 -7.901 -2.219 1.00 0.00 N ATOM 822 CA THR A 51 -0.844 -6.530 -2.523 1.00 0.00 C ATOM 823 C THR A 51 -2.048 -5.598 -2.547 1.00 0.00 C ATOM 824 O THR A 51 -3.092 -5.922 -3.113 1.00 0.00 O ATOM 825 CB THR A 51 -0.111 -6.477 -3.868 1.00 0.00 C ATOM 826 OG1 THR A 51 1.052 -7.286 -3.835 1.00 0.00 O ATOM 827 CG2 THR A 51 0.315 -5.082 -4.272 1.00 0.00 C ATOM 0 H THR A 51 -2.199 -8.131 -2.454 1.00 0.00 H new ATOM 0 HA THR A 51 -0.175 -6.190 -1.732 1.00 0.00 H new ATOM 0 HB THR A 51 -0.831 -6.842 -4.600 1.00 0.00 H new ATOM 0 HG1 THR A 51 1.154 -7.676 -2.942 1.00 0.00 H new ATOM 0 HG21 THR A 51 0.827 -5.122 -5.233 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.564 -4.443 -4.356 1.00 0.00 H new ATOM 0 HG23 THR A 51 0.989 -4.675 -3.518 1.00 0.00 H new ATOM 835 N PHE A 52 -1.881 -4.431 -1.934 1.00 0.00 N ATOM 836 CA PHE A 52 -2.940 -3.430 -1.883 1.00 0.00 C ATOM 837 C PHE A 52 -2.592 -2.243 -2.776 1.00 0.00 C ATOM 838 O PHE A 52 -1.430 -2.034 -3.114 1.00 0.00 O ATOM 839 CB PHE A 52 -3.165 -2.943 -0.445 1.00 0.00 C ATOM 840 CG PHE A 52 -2.915 -3.990 0.608 1.00 0.00 C ATOM 841 CD1 PHE A 52 -1.626 -4.406 0.900 1.00 0.00 C ATOM 842 CD2 PHE A 52 -3.971 -4.552 1.307 1.00 0.00 C ATOM 843 CE1 PHE A 52 -1.395 -5.365 1.867 1.00 0.00 C ATOM 844 CE2 PHE A 52 -3.745 -5.512 2.276 1.00 0.00 C ATOM 845 CZ PHE A 52 -2.456 -5.919 2.555 1.00 0.00 C ATOM 0 H PHE A 52 -1.019 -4.155 -1.464 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.858 -3.895 -2.243 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.513 -2.091 -0.256 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.191 -2.586 -0.350 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.792 -3.975 0.365 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.982 -4.237 1.093 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.385 -5.681 2.085 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.576 -5.943 2.814 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.278 -6.670 3.311 1.00 0.00 H new ATOM 855 N THR A 53 -3.599 -1.467 -3.161 1.00 0.00 N ATOM 856 CA THR A 53 -3.368 -0.308 -4.012 1.00 0.00 C ATOM 857 C THR A 53 -4.341 0.822 -3.684 1.00 0.00 C ATOM 858 O THR A 53 -5.470 0.580 -3.258 1.00 0.00 O ATOM 859 CB THR A 53 -3.492 -0.702 -5.493 1.00 0.00 C ATOM 860 OG1 THR A 53 -2.519 -1.671 -5.832 1.00 0.00 O ATOM 861 CG2 THR A 53 -3.339 0.461 -6.462 1.00 0.00 C ATOM 0 H THR A 53 -4.573 -1.618 -2.900 1.00 0.00 H new ATOM 0 HA THR A 53 -2.357 0.052 -3.823 1.00 0.00 H new ATOM 0 HB THR A 53 -4.504 -1.093 -5.594 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.613 -1.912 -6.777 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.440 0.098 -7.485 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.111 1.204 -6.263 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.357 0.915 -6.333 1.00 0.00 H new ATOM 869 N VAL A 54 -3.893 2.054 -3.896 1.00 0.00 N ATOM 870 CA VAL A 54 -4.719 3.228 -3.638 1.00 0.00 C ATOM 871 C VAL A 54 -4.599 4.224 -4.795 1.00 0.00 C ATOM 872 O VAL A 54 -3.591 4.918 -4.940 1.00 0.00 O ATOM 873 CB VAL A 54 -4.354 3.893 -2.280 1.00 0.00 C ATOM 874 CG1 VAL A 54 -3.355 5.034 -2.435 1.00 0.00 C ATOM 875 CG2 VAL A 54 -5.613 4.382 -1.581 1.00 0.00 C ATOM 0 H VAL A 54 -2.959 2.266 -4.247 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.758 2.906 -3.568 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.871 3.131 -1.669 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.136 5.461 -1.456 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.435 4.654 -2.879 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.779 5.803 -3.081 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.345 4.846 -0.632 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.119 5.113 -2.212 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.278 3.538 -1.398 1.00 0.00 H new ATOM 885 N THR A 55 -5.626 4.268 -5.636 1.00 0.00 N ATOM 886 CA THR A 55 -5.627 5.160 -6.791 1.00 0.00 C ATOM 887 C THR A 55 -6.457 6.412 -6.526 1.00 0.00 C ATOM 888 O THR A 55 -7.640 6.328 -6.193 1.00 0.00 O ATOM 889 CB THR A 55 -6.166 4.431 -8.024 1.00 0.00 C ATOM 890 OG1 THR A 55 -7.318 3.674 -7.697 1.00 0.00 O ATOM 891 CG2 THR A 55 -5.159 3.490 -8.650 1.00 0.00 C ATOM 0 H THR A 55 -6.467 3.698 -5.541 1.00 0.00 H new ATOM 0 HA THR A 55 -4.597 5.467 -6.974 1.00 0.00 H new ATOM 0 HB THR A 55 -6.402 5.216 -8.743 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.648 3.217 -8.499 1.00 0.00 H new ATOM 0 HG21 THR A 55 -5.605 3.006 -9.519 1.00 0.00 H new ATOM 0 HG22 THR A 55 -4.279 4.053 -8.960 1.00 0.00 H new ATOM 0 HG23 THR A 55 -4.867 2.733 -7.922 1.00 0.00 H new ATOM 899 N GLU A 56 -5.832 7.576 -6.682 1.00 0.00 N ATOM 900 CA GLU A 56 -6.512 8.848 -6.466 1.00 0.00 C ATOM 901 C GLU A 56 -6.881 9.496 -7.793 1.00 0.00 C ATOM 902 O GLU A 56 -8.043 9.934 -7.936 1.00 0.00 O ATOM 903 CB GLU A 56 -5.628 9.785 -5.645 1.00 0.00 C ATOM 904 CG GLU A 56 -6.256 11.150 -5.396 1.00 0.00 C ATOM 905 CD GLU A 56 -5.843 12.183 -6.430 1.00 0.00 C ATOM 906 OE1 GLU A 56 -5.388 11.780 -7.522 1.00 0.00 O ATOM 907 OE2 GLU A 56 -5.974 13.392 -6.147 1.00 0.00 O ATOM 908 OXT GLU A 56 -6.004 9.567 -8.679 1.00 0.00 O ATOM 0 H GLU A 56 -4.854 7.664 -6.958 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.432 8.657 -5.913 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.406 9.316 -4.687 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.677 9.920 -6.161 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.342 11.052 -5.400 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.971 11.501 -4.404 1.00 0.00 H new TER 915 GLU A 56