USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 475 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 Single : A 1 THR N :NH3+ -127:sc= 0.00118 (180deg=-0.116) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.0154 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= -0.0144 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.017 K(o=-0.017,f=-1.1) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0.82 K(o=0.82,f=-0.66) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 175:sc= 0.936 (180deg=0.911) 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= -0.0177 K(o=-0.018,f=-0.99) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.555 USER MOD Single : A 44 THR OG1 : rot 72:sc= 0.462 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 157:sc= 1.19 (180deg=0.821) USER MOD Single : A 50 LYS NZ :NH3+ 155:sc= 1.07 (180deg=0.653) USER MOD Single : A 51 THR OG1 : rot -24:sc= 0.974 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot -6:sc= 0.178 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 1.662 20.646 -6.814 1.00 0.00 N ATOM 2 CA THR A 1 2.103 19.662 -5.833 1.00 0.00 C ATOM 3 C THR A 1 1.175 19.632 -4.626 1.00 0.00 C ATOM 4 O THR A 1 1.613 19.796 -3.488 1.00 0.00 O ATOM 5 CB THR A 1 3.540 19.945 -5.356 1.00 0.00 C ATOM 6 OG1 THR A 1 3.647 21.311 -4.938 1.00 0.00 O ATOM 7 CG2 THR A 1 4.535 19.680 -6.475 1.00 0.00 C ATOM 0 H1 THR A 1 1.574 20.192 -7.746 1.00 0.00 H new ATOM 0 H2 THR A 1 0.740 21.032 -6.528 1.00 0.00 H new ATOM 0 H3 THR A 1 2.358 21.417 -6.869 1.00 0.00 H new ATOM 0 HA THR A 1 2.079 18.692 -6.329 1.00 0.00 H new ATOM 0 HB THR A 1 3.766 19.284 -4.519 1.00 0.00 H new ATOM 0 HG1 THR A 1 4.561 21.489 -4.633 1.00 0.00 H new ATOM 0 HG21 THR A 1 5.545 19.885 -6.120 1.00 0.00 H new ATOM 0 HG22 THR A 1 4.464 18.638 -6.785 1.00 0.00 H new ATOM 0 HG23 THR A 1 4.310 20.327 -7.323 1.00 0.00 H new ATOM 17 N THR A 2 -0.113 19.422 -4.880 1.00 0.00 N ATOM 18 CA THR A 2 -1.106 19.369 -3.816 1.00 0.00 C ATOM 19 C THR A 2 -0.761 18.293 -2.793 1.00 0.00 C ATOM 20 O THR A 2 -1.020 18.451 -1.600 1.00 0.00 O ATOM 21 CB THR A 2 -2.517 19.102 -4.371 1.00 0.00 C ATOM 22 OG1 THR A 2 -2.902 20.174 -5.242 1.00 0.00 O ATOM 23 CG2 THR A 2 -3.525 18.988 -3.237 1.00 0.00 C ATOM 0 H THR A 2 -0.493 19.286 -5.817 1.00 0.00 H new ATOM 0 HA THR A 2 -1.096 20.345 -3.330 1.00 0.00 H new ATOM 0 HB THR A 2 -2.501 18.163 -4.924 1.00 0.00 H new ATOM 0 HG1 THR A 2 -3.800 20.002 -5.596 1.00 0.00 H new ATOM 0 HG21 THR A 2 -4.516 18.799 -3.649 1.00 0.00 H new ATOM 0 HG22 THR A 2 -3.242 18.165 -2.580 1.00 0.00 H new ATOM 0 HG23 THR A 2 -3.539 19.918 -2.668 1.00 0.00 H new ATOM 31 N TYR A 3 -0.177 17.199 -3.270 1.00 0.00 N ATOM 32 CA TYR A 3 0.116 16.053 -2.415 1.00 0.00 C ATOM 33 C TYR A 3 1.107 16.423 -1.320 1.00 0.00 C ATOM 34 O TYR A 3 1.146 15.791 -0.264 1.00 0.00 O ATOM 35 CB TYR A 3 0.660 14.891 -3.247 1.00 0.00 C ATOM 36 CG TYR A 3 2.006 15.168 -3.880 1.00 0.00 C ATOM 37 CD1 TYR A 3 2.096 15.807 -5.107 1.00 0.00 C ATOM 38 CD2 TYR A 3 3.181 14.788 -3.251 1.00 0.00 C ATOM 39 CE1 TYR A 3 3.321 16.062 -5.691 1.00 0.00 C ATOM 40 CE2 TYR A 3 4.414 15.038 -3.824 1.00 0.00 C ATOM 41 CZ TYR A 3 4.479 15.677 -5.047 1.00 0.00 C ATOM 42 OH TYR A 3 5.701 15.927 -5.624 1.00 0.00 O ATOM 0 H TYR A 3 0.103 17.081 -4.244 1.00 0.00 H new ATOM 0 HA TYR A 3 -0.815 15.743 -1.941 1.00 0.00 H new ATOM 0 HB2 TYR A 3 0.743 14.009 -2.611 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -0.057 14.652 -4.032 1.00 0.00 H new ATOM 0 HD1 TYR A 3 1.192 16.111 -5.615 1.00 0.00 H new ATOM 0 HD2 TYR A 3 3.132 14.287 -2.295 1.00 0.00 H new ATOM 0 HE1 TYR A 3 3.373 16.561 -6.648 1.00 0.00 H new ATOM 0 HE2 TYR A 3 5.320 14.736 -3.319 1.00 0.00 H new ATOM 0 HH TYR A 3 6.413 15.593 -5.040 1.00 0.00 H new ATOM 52 N LYS A 4 1.910 17.450 -1.578 1.00 0.00 N ATOM 53 CA LYS A 4 2.865 17.943 -0.591 1.00 0.00 C ATOM 54 C LYS A 4 2.156 18.657 0.552 1.00 0.00 C ATOM 55 O LYS A 4 2.684 18.751 1.661 1.00 0.00 O ATOM 56 CB LYS A 4 3.878 18.881 -1.250 1.00 0.00 C ATOM 57 CG LYS A 4 4.878 18.185 -2.164 1.00 0.00 C ATOM 58 CD LYS A 4 5.930 19.157 -2.676 1.00 0.00 C ATOM 59 CE LYS A 4 6.947 18.456 -3.566 1.00 0.00 C ATOM 60 NZ LYS A 4 8.012 19.384 -4.031 1.00 0.00 N ATOM 0 H LYS A 4 1.919 17.958 -2.463 1.00 0.00 H new ATOM 0 HA LYS A 4 3.394 17.083 -0.179 1.00 0.00 H new ATOM 0 HB2 LYS A 4 3.338 19.632 -1.827 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.425 19.411 -0.470 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.363 17.372 -1.623 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.352 17.737 -3.008 1.00 0.00 H new ATOM 0 HD2 LYS A 4 5.446 19.958 -3.235 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.441 19.620 -1.832 1.00 0.00 H new ATOM 0 HE2 LYS A 4 7.400 17.630 -3.018 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.438 18.026 -4.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.684 18.867 -4.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.583 20.159 -4.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 8.515 19.775 -3.209 1.00 0.00 H new ATOM 74 N LEU A 5 0.958 19.162 0.276 1.00 0.00 N ATOM 75 CA LEU A 5 0.146 19.811 1.299 1.00 0.00 C ATOM 76 C LEU A 5 -0.676 18.794 2.078 1.00 0.00 C ATOM 77 O LEU A 5 -1.337 19.136 3.059 1.00 0.00 O ATOM 78 CB LEU A 5 -0.770 20.861 0.660 1.00 0.00 C ATOM 79 CG LEU A 5 -0.046 22.005 -0.065 1.00 0.00 C ATOM 80 CD1 LEU A 5 -1.059 22.911 -0.751 1.00 0.00 C ATOM 81 CD2 LEU A 5 0.790 22.791 0.934 1.00 0.00 C ATOM 0 H LEU A 5 0.528 19.134 -0.648 1.00 0.00 H new ATOM 0 HA LEU A 5 0.818 20.306 2.000 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.429 20.361 -0.050 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -1.404 21.288 1.437 1.00 0.00 H new ATOM 0 HG LEU A 5 0.615 21.592 -0.828 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.536 23.719 -1.262 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -1.632 22.333 -1.476 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.735 23.330 -0.006 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.304 23.603 0.419 1.00 0.00 H new ATOM 0 HD22 LEU A 5 0.141 23.204 1.706 1.00 0.00 H new ATOM 0 HD23 LEU A 5 1.525 22.130 1.393 1.00 0.00 H new ATOM 93 N ILE A 6 -0.632 17.542 1.635 1.00 0.00 N ATOM 94 CA ILE A 6 -1.349 16.466 2.310 1.00 0.00 C ATOM 95 C ILE A 6 -0.525 15.886 3.452 1.00 0.00 C ATOM 96 O ILE A 6 0.574 15.375 3.241 1.00 0.00 O ATOM 97 CB ILE A 6 -1.722 15.335 1.333 1.00 0.00 C ATOM 98 CG1 ILE A 6 -2.551 15.886 0.170 1.00 0.00 C ATOM 99 CG2 ILE A 6 -2.480 14.234 2.057 1.00 0.00 C ATOM 100 CD1 ILE A 6 -3.854 16.522 0.595 1.00 0.00 C ATOM 0 H ILE A 6 -0.107 17.247 0.811 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.263 16.903 2.712 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.803 14.909 0.929 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.957 16.624 -0.370 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.764 15.076 -0.528 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.735 13.443 1.351 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -1.856 13.824 2.851 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.393 14.644 2.489 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -4.384 16.888 -0.284 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.469 15.783 1.108 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -3.650 17.354 1.268 1.00 0.00 H new ATOM 112 N LEU A 7 -1.063 15.970 4.665 1.00 0.00 N ATOM 113 CA LEU A 7 -0.331 15.558 5.856 1.00 0.00 C ATOM 114 C LEU A 7 -0.206 14.042 5.931 1.00 0.00 C ATOM 115 O LEU A 7 0.647 13.515 6.644 1.00 0.00 O ATOM 116 CB LEU A 7 -1.022 16.099 7.115 1.00 0.00 C ATOM 117 CG LEU A 7 -1.027 17.628 7.251 1.00 0.00 C ATOM 118 CD1 LEU A 7 -1.826 18.039 8.481 1.00 0.00 C ATOM 119 CD2 LEU A 7 0.405 18.134 7.344 1.00 0.00 C ATOM 0 H LEU A 7 -2.003 16.320 4.848 1.00 0.00 H new ATOM 0 HA LEU A 7 0.675 15.974 5.795 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -2.053 15.746 7.124 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.531 15.674 7.991 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.499 18.071 6.374 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.824 19.125 8.570 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.852 17.685 8.383 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.374 17.602 9.371 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.402 19.220 7.441 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.891 17.694 8.215 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.950 17.852 6.443 1.00 0.00 H new ATOM 131 N ASN A 8 -1.061 13.346 5.190 1.00 0.00 N ATOM 132 CA ASN A 8 -1.030 11.889 5.151 1.00 0.00 C ATOM 133 C ASN A 8 -0.205 11.386 3.973 1.00 0.00 C ATOM 134 O ASN A 8 -0.288 10.217 3.600 1.00 0.00 O ATOM 135 CB ASN A 8 -2.431 11.306 5.097 1.00 0.00 C ATOM 136 CG ASN A 8 -3.211 11.484 6.371 1.00 0.00 C ATOM 137 OD1 ASN A 8 -2.639 11.597 7.461 1.00 0.00 O ATOM 138 ND2 ASN A 8 -4.512 11.428 6.249 1.00 0.00 N ATOM 0 H ASN A 8 -1.785 13.768 4.608 1.00 0.00 H new ATOM 0 HA ASN A 8 -0.556 11.553 6.073 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -2.978 11.774 4.278 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -2.364 10.242 4.869 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -5.105 11.478 7.078 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -4.934 11.334 5.325 1.00 0.00 H new ATOM 145 N LEU A 9 0.591 12.277 3.393 1.00 0.00 N ATOM 146 CA LEU A 9 1.477 11.911 2.293 1.00 0.00 C ATOM 147 C LEU A 9 2.449 10.814 2.711 1.00 0.00 C ATOM 148 O LEU A 9 2.468 9.732 2.125 1.00 0.00 O ATOM 149 CB LEU A 9 2.243 13.143 1.798 1.00 0.00 C ATOM 150 CG LEU A 9 3.313 12.862 0.735 1.00 0.00 C ATOM 151 CD1 LEU A 9 2.667 12.286 -0.516 1.00 0.00 C ATOM 152 CD2 LEU A 9 4.061 14.148 0.414 1.00 0.00 C ATOM 0 H LEU A 9 0.641 13.259 3.666 1.00 0.00 H new ATOM 0 HA LEU A 9 0.865 11.524 1.478 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.527 13.857 1.390 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.720 13.623 2.653 1.00 0.00 H new ATOM 0 HG LEU A 9 4.024 12.130 1.119 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.435 12.090 -1.265 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.157 11.355 -0.267 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.946 12.999 -0.914 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.821 13.948 -0.341 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.360 14.892 0.035 1.00 0.00 H new ATOM 0 HD23 LEU A 9 4.538 14.527 1.318 1.00 0.00 H new ATOM 164 N LYS A 10 3.255 11.102 3.727 1.00 0.00 N ATOM 165 CA LYS A 10 4.250 10.151 4.208 1.00 0.00 C ATOM 166 C LYS A 10 3.602 9.052 5.043 1.00 0.00 C ATOM 167 O LYS A 10 4.061 7.909 5.045 1.00 0.00 O ATOM 168 CB LYS A 10 5.325 10.867 5.027 1.00 0.00 C ATOM 169 CG LYS A 10 6.477 9.975 5.470 1.00 0.00 C ATOM 170 CD LYS A 10 7.600 10.791 6.093 1.00 0.00 C ATOM 171 CE LYS A 10 8.756 9.902 6.527 1.00 0.00 C ATOM 172 NZ LYS A 10 9.886 10.691 7.085 1.00 0.00 N ATOM 0 H LYS A 10 3.239 11.987 4.234 1.00 0.00 H new ATOM 0 HA LYS A 10 4.717 9.689 3.338 1.00 0.00 H new ATOM 0 HB2 LYS A 10 5.726 11.691 4.436 1.00 0.00 H new ATOM 0 HB3 LYS A 10 4.860 11.305 5.910 1.00 0.00 H new ATOM 0 HG2 LYS A 10 6.115 9.241 6.190 1.00 0.00 H new ATOM 0 HG3 LYS A 10 6.860 9.420 4.614 1.00 0.00 H new ATOM 0 HD2 LYS A 10 7.957 11.530 5.375 1.00 0.00 H new ATOM 0 HD3 LYS A 10 7.219 11.341 6.953 1.00 0.00 H new ATOM 0 HE2 LYS A 10 8.406 9.191 7.275 1.00 0.00 H new ATOM 0 HE3 LYS A 10 9.106 9.320 5.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 10.652 10.047 7.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 10.238 11.352 6.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 9.559 11.227 7.915 1.00 0.00 H new ATOM 186 N GLN A 11 2.535 9.404 5.750 1.00 0.00 N ATOM 187 CA GLN A 11 1.760 8.427 6.504 1.00 0.00 C ATOM 188 C GLN A 11 1.260 7.305 5.604 1.00 0.00 C ATOM 189 O GLN A 11 1.431 6.126 5.914 1.00 0.00 O ATOM 190 CB GLN A 11 0.571 9.104 7.195 1.00 0.00 C ATOM 191 CG GLN A 11 -0.270 8.168 8.045 1.00 0.00 C ATOM 192 CD GLN A 11 0.487 7.643 9.252 1.00 0.00 C ATOM 193 OE1 GLN A 11 1.320 8.343 9.831 1.00 0.00 O ATOM 194 NE2 GLN A 11 0.204 6.403 9.632 1.00 0.00 N ATOM 0 H GLN A 11 2.186 10.360 5.817 1.00 0.00 H new ATOM 0 HA GLN A 11 2.417 7.996 7.259 1.00 0.00 H new ATOM 0 HB2 GLN A 11 0.943 9.913 7.824 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.066 9.558 6.436 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.165 8.692 8.381 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.603 7.328 7.435 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.493 5.860 9.123 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.684 5.993 10.433 1.00 0.00 H new ATOM 203 N ALA A 12 0.642 7.680 4.489 1.00 0.00 N ATOM 204 CA ALA A 12 0.138 6.705 3.528 1.00 0.00 C ATOM 205 C ALA A 12 1.278 5.918 2.894 1.00 0.00 C ATOM 206 O ALA A 12 1.162 4.713 2.666 1.00 0.00 O ATOM 207 CB ALA A 12 -0.693 7.397 2.458 1.00 0.00 C ATOM 0 H ALA A 12 0.478 8.652 4.228 1.00 0.00 H new ATOM 0 HA ALA A 12 -0.498 6.000 4.063 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.062 6.656 1.748 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.537 7.905 2.925 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.076 8.126 1.933 1.00 0.00 H new ATOM 213 N LYS A 13 2.379 6.606 2.610 1.00 0.00 N ATOM 214 CA LYS A 13 3.564 5.960 2.057 1.00 0.00 C ATOM 215 C LYS A 13 4.040 4.824 2.952 1.00 0.00 C ATOM 216 O LYS A 13 4.295 3.715 2.482 1.00 0.00 O ATOM 217 CB LYS A 13 4.686 6.981 1.860 1.00 0.00 C ATOM 218 CG LYS A 13 5.975 6.396 1.296 1.00 0.00 C ATOM 219 CD LYS A 13 7.057 7.459 1.174 1.00 0.00 C ATOM 220 CE LYS A 13 8.375 6.856 0.711 1.00 0.00 C ATOM 221 NZ LYS A 13 9.467 7.866 0.679 1.00 0.00 N ATOM 0 H LYS A 13 2.475 7.611 2.754 1.00 0.00 H new ATOM 0 HA LYS A 13 3.294 5.539 1.088 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.334 7.766 1.191 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.904 7.453 2.818 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.325 5.591 1.942 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.780 5.958 0.317 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.738 8.226 0.469 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.198 7.950 2.137 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.655 6.040 1.377 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.248 6.427 -0.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 10.348 7.415 0.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.212 8.632 0.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 9.606 8.258 1.632 1.00 0.00 H new ATOM 235 N GLU A 14 4.158 5.106 4.245 1.00 0.00 N ATOM 236 CA GLU A 14 4.656 4.123 5.202 1.00 0.00 C ATOM 237 C GLU A 14 3.649 2.999 5.408 1.00 0.00 C ATOM 238 O GLU A 14 4.026 1.844 5.606 1.00 0.00 O ATOM 239 CB GLU A 14 4.978 4.793 6.538 1.00 0.00 C ATOM 240 CG GLU A 14 6.209 5.689 6.512 1.00 0.00 C ATOM 241 CD GLU A 14 6.425 6.358 7.840 1.00 0.00 C ATOM 242 OE1 GLU A 14 5.608 6.185 8.713 1.00 0.00 O ATOM 243 OE2 GLU A 14 7.463 6.950 8.023 1.00 0.00 O ATOM 0 H GLU A 14 3.916 6.008 4.655 1.00 0.00 H new ATOM 0 HA GLU A 14 5.570 3.691 4.794 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.118 5.386 6.850 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.122 4.020 7.293 1.00 0.00 H new ATOM 0 HG2 GLU A 14 7.087 5.097 6.253 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.095 6.445 5.736 1.00 0.00 H new ATOM 250 N GLU A 15 2.366 3.344 5.362 1.00 0.00 N ATOM 251 CA GLU A 15 1.302 2.353 5.478 1.00 0.00 C ATOM 252 C GLU A 15 1.264 1.442 4.257 1.00 0.00 C ATOM 253 O GLU A 15 0.960 0.254 4.366 1.00 0.00 O ATOM 254 CB GLU A 15 -0.052 3.041 5.661 1.00 0.00 C ATOM 255 CG GLU A 15 -0.251 3.679 7.030 1.00 0.00 C ATOM 256 CD GLU A 15 -1.482 4.542 7.056 1.00 0.00 C ATOM 257 OE1 GLU A 15 -2.123 4.659 6.040 1.00 0.00 O ATOM 258 OE2 GLU A 15 -1.843 4.995 8.116 1.00 0.00 O ATOM 0 H GLU A 15 2.038 4.303 5.245 1.00 0.00 H new ATOM 0 HA GLU A 15 1.510 1.741 6.355 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.162 3.809 4.896 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.843 2.310 5.495 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.334 2.900 7.788 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.622 4.280 7.284 1.00 0.00 H new ATOM 265 N ALA A 16 1.575 2.005 3.093 1.00 0.00 N ATOM 266 CA ALA A 16 1.591 1.241 1.852 1.00 0.00 C ATOM 267 C ALA A 16 2.671 0.167 1.880 1.00 0.00 C ATOM 268 O ALA A 16 2.415 -0.991 1.553 1.00 0.00 O ATOM 269 CB ALA A 16 1.793 2.169 0.662 1.00 0.00 C ATOM 0 H ALA A 16 1.820 2.989 2.984 1.00 0.00 H new ATOM 0 HA ALA A 16 0.627 0.743 1.749 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.803 1.584 -0.258 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.979 2.893 0.623 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.742 2.695 0.768 1.00 0.00 H new ATOM 275 N ILE A 17 3.877 0.558 2.273 1.00 0.00 N ATOM 276 CA ILE A 17 5.004 -0.366 2.326 1.00 0.00 C ATOM 277 C ILE A 17 4.889 -1.307 3.518 1.00 0.00 C ATOM 278 O ILE A 17 5.469 -2.393 3.522 1.00 0.00 O ATOM 279 CB ILE A 17 6.347 0.384 2.402 1.00 0.00 C ATOM 280 CG1 ILE A 17 6.422 1.215 3.685 1.00 0.00 C ATOM 281 CG2 ILE A 17 6.532 1.269 1.180 1.00 0.00 C ATOM 282 CD1 ILE A 17 7.777 1.836 3.932 1.00 0.00 C ATOM 0 H ILE A 17 4.100 1.511 2.560 1.00 0.00 H new ATOM 0 HA ILE A 17 4.977 -0.948 1.405 1.00 0.00 H new ATOM 0 HB ILE A 17 7.153 -0.350 2.419 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.673 2.006 3.639 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.163 0.581 4.533 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.486 1.792 1.250 1.00 0.00 H new ATOM 0 HG22 ILE A 17 6.521 0.654 0.280 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.722 1.997 1.132 1.00 0.00 H new ATOM 0 HD11 ILE A 17 7.751 2.409 4.859 1.00 0.00 H new ATOM 0 HD12 ILE A 17 8.528 1.050 4.012 1.00 0.00 H new ATOM 0 HD13 ILE A 17 8.031 2.498 3.104 1.00 0.00 H new ATOM 294 N LYS A 18 4.138 -0.884 4.530 1.00 0.00 N ATOM 295 CA LYS A 18 3.820 -1.746 5.661 1.00 0.00 C ATOM 296 C LYS A 18 2.965 -2.931 5.228 1.00 0.00 C ATOM 297 O LYS A 18 3.249 -4.075 5.582 1.00 0.00 O ATOM 298 CB LYS A 18 3.104 -0.953 6.755 1.00 0.00 C ATOM 299 CG LYS A 18 2.736 -1.770 7.987 1.00 0.00 C ATOM 300 CD LYS A 18 2.071 -0.906 9.046 1.00 0.00 C ATOM 301 CE LYS A 18 1.657 -1.731 10.256 1.00 0.00 C ATOM 302 NZ LYS A 18 0.955 -0.908 11.278 1.00 0.00 N ATOM 0 H LYS A 18 3.738 0.052 4.589 1.00 0.00 H new ATOM 0 HA LYS A 18 4.758 -2.131 6.060 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.741 -0.123 7.061 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.195 -0.520 6.337 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.065 -2.580 7.701 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.633 -2.231 8.401 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.757 -0.118 9.358 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.195 -0.416 8.621 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.005 -2.544 9.935 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.540 -2.188 10.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.690 -1.508 12.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.585 -0.148 11.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.098 -0.492 10.860 1.00 0.00 H new ATOM 316 N GLU A 19 1.919 -2.648 4.459 1.00 0.00 N ATOM 317 CA GLU A 19 1.014 -3.690 3.985 1.00 0.00 C ATOM 318 C GLU A 19 1.678 -4.548 2.915 1.00 0.00 C ATOM 319 O GLU A 19 1.388 -5.740 2.795 1.00 0.00 O ATOM 320 CB GLU A 19 -0.274 -3.071 3.436 1.00 0.00 C ATOM 321 CG GLU A 19 -1.169 -2.442 4.495 1.00 0.00 C ATOM 322 CD GLU A 19 -2.351 -1.752 3.871 1.00 0.00 C ATOM 323 OE1 GLU A 19 -2.426 -1.719 2.667 1.00 0.00 O ATOM 324 OE2 GLU A 19 -3.232 -1.358 4.597 1.00 0.00 O ATOM 0 H GLU A 19 1.677 -1.706 4.151 1.00 0.00 H new ATOM 0 HA GLU A 19 0.767 -4.329 4.832 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.013 -2.311 2.700 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.839 -3.842 2.911 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.516 -3.211 5.184 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.594 -1.725 5.081 1.00 0.00 H new ATOM 331 N LEU A 20 2.570 -3.940 2.142 1.00 0.00 N ATOM 332 CA LEU A 20 3.321 -4.662 1.121 1.00 0.00 C ATOM 333 C LEU A 20 4.242 -5.700 1.748 1.00 0.00 C ATOM 334 O LEU A 20 4.357 -6.821 1.253 1.00 0.00 O ATOM 335 CB LEU A 20 4.127 -3.680 0.264 1.00 0.00 C ATOM 336 CG LEU A 20 3.307 -2.869 -0.747 1.00 0.00 C ATOM 337 CD1 LEU A 20 4.164 -1.761 -1.346 1.00 0.00 C ATOM 338 CD2 LEU A 20 2.783 -3.793 -1.836 1.00 0.00 C ATOM 0 H LEU A 20 2.792 -2.946 2.203 1.00 0.00 H new ATOM 0 HA LEU A 20 2.610 -5.186 0.483 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.646 -2.987 0.926 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.892 -4.238 -0.277 1.00 0.00 H new ATOM 0 HG LEU A 20 2.459 -2.408 -0.240 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.573 -1.191 -2.063 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.509 -1.099 -0.552 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.024 -2.200 -1.852 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.200 -3.216 -2.554 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.622 -4.266 -2.346 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.151 -4.560 -1.389 1.00 0.00 H new ATOM 350 N VAL A 21 4.898 -5.320 2.840 1.00 0.00 N ATOM 351 CA VAL A 21 5.704 -6.256 3.613 1.00 0.00 C ATOM 352 C VAL A 21 4.846 -7.371 4.197 1.00 0.00 C ATOM 353 O VAL A 21 5.245 -8.536 4.207 1.00 0.00 O ATOM 354 CB VAL A 21 6.454 -5.547 4.757 1.00 0.00 C ATOM 355 CG1 VAL A 21 7.053 -6.567 5.714 1.00 0.00 C ATOM 356 CG2 VAL A 21 7.539 -4.639 4.200 1.00 0.00 C ATOM 0 H VAL A 21 4.887 -4.369 3.209 1.00 0.00 H new ATOM 0 HA VAL A 21 6.432 -6.685 2.924 1.00 0.00 H new ATOM 0 HB VAL A 21 5.741 -4.934 5.308 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.579 -6.049 6.516 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.257 -7.179 6.138 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.753 -7.205 5.174 1.00 0.00 H new ATOM 0 HG21 VAL A 21 8.058 -4.146 5.022 1.00 0.00 H new ATOM 0 HG22 VAL A 21 8.250 -5.232 3.625 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.087 -3.887 3.553 1.00 0.00 H new ATOM 366 N ASP A 22 3.662 -7.008 4.683 1.00 0.00 N ATOM 367 CA ASP A 22 2.712 -7.986 5.197 1.00 0.00 C ATOM 368 C ASP A 22 2.260 -8.942 4.101 1.00 0.00 C ATOM 369 O ASP A 22 2.025 -10.125 4.353 1.00 0.00 O ATOM 370 CB ASP A 22 1.501 -7.285 5.815 1.00 0.00 C ATOM 371 CG ASP A 22 1.781 -6.603 7.147 1.00 0.00 C ATOM 372 OD1 ASP A 22 2.818 -6.855 7.714 1.00 0.00 O ATOM 373 OD2 ASP A 22 1.038 -5.722 7.510 1.00 0.00 O ATOM 0 H ASP A 22 3.339 -6.042 4.731 1.00 0.00 H new ATOM 0 HA ASP A 22 3.217 -8.566 5.970 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.129 -6.541 5.111 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.705 -8.017 5.956 1.00 0.00 H new ATOM 378 N ALA A 23 2.138 -8.425 2.883 1.00 0.00 N ATOM 379 CA ALA A 23 1.696 -9.228 1.750 1.00 0.00 C ATOM 380 C ALA A 23 2.861 -9.986 1.123 1.00 0.00 C ATOM 381 O ALA A 23 2.661 -10.950 0.383 1.00 0.00 O ATOM 382 CB ALA A 23 1.011 -8.349 0.712 1.00 0.00 C ATOM 0 H ALA A 23 2.340 -7.451 2.655 1.00 0.00 H new ATOM 0 HA ALA A 23 0.978 -9.962 2.117 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.687 -8.963 -0.128 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.145 -7.863 1.161 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.710 -7.591 0.359 1.00 0.00 H new ATOM 388 N GLY A 24 4.077 -9.542 1.422 1.00 0.00 N ATOM 389 CA GLY A 24 5.276 -10.198 0.918 1.00 0.00 C ATOM 390 C GLY A 24 5.592 -9.755 -0.504 1.00 0.00 C ATOM 391 O GLY A 24 6.199 -10.497 -1.277 1.00 0.00 O ATOM 0 H GLY A 24 4.257 -8.730 2.012 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.120 -9.968 1.569 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.139 -11.279 0.943 1.00 0.00 H new ATOM 395 N ILE A 25 5.174 -8.540 -0.847 1.00 0.00 N ATOM 396 CA ILE A 25 5.374 -8.011 -2.190 1.00 0.00 C ATOM 397 C ILE A 25 6.632 -7.157 -2.264 1.00 0.00 C ATOM 398 O ILE A 25 6.567 -5.931 -2.170 1.00 0.00 O ATOM 399 CB ILE A 25 4.167 -7.175 -2.653 1.00 0.00 C ATOM 400 CG1 ILE A 25 2.871 -7.974 -2.493 1.00 0.00 C ATOM 401 CG2 ILE A 25 4.350 -6.732 -4.096 1.00 0.00 C ATOM 402 CD1 ILE A 25 2.845 -9.261 -3.286 1.00 0.00 C ATOM 0 H ILE A 25 4.694 -7.903 -0.211 1.00 0.00 H new ATOM 0 HA ILE A 25 5.484 -8.869 -2.853 1.00 0.00 H new ATOM 0 HB ILE A 25 4.100 -6.285 -2.027 1.00 0.00 H new ATOM 0 HG12 ILE A 25 2.726 -8.206 -1.438 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.031 -7.351 -2.801 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.488 -6.142 -4.408 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.253 -6.127 -4.179 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.441 -7.609 -4.737 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.896 -9.771 -3.121 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.958 -9.037 -4.347 1.00 0.00 H new ATOM 0 HD13 ILE A 25 3.663 -9.904 -2.962 1.00 0.00 H new ATOM 414 N ALA A 26 7.776 -7.810 -2.435 1.00 0.00 N ATOM 415 CA ALA A 26 9.062 -7.122 -2.418 1.00 0.00 C ATOM 416 C ALA A 26 9.213 -6.209 -3.628 1.00 0.00 C ATOM 417 O ALA A 26 9.674 -5.073 -3.508 1.00 0.00 O ATOM 418 CB ALA A 26 10.201 -8.129 -2.363 1.00 0.00 C ATOM 0 H ALA A 26 7.839 -8.817 -2.587 1.00 0.00 H new ATOM 0 HA ALA A 26 9.101 -6.501 -1.523 1.00 0.00 H new ATOM 0 HB1 ALA A 26 11.154 -7.600 -2.351 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.110 -8.733 -1.460 1.00 0.00 H new ATOM 0 HB3 ALA A 26 10.157 -8.777 -3.239 1.00 0.00 H new ATOM 424 N GLU A 27 8.824 -6.712 -4.795 1.00 0.00 N ATOM 425 CA GLU A 27 9.001 -5.979 -6.043 1.00 0.00 C ATOM 426 C GLU A 27 8.402 -4.580 -5.950 1.00 0.00 C ATOM 427 O GLU A 27 9.040 -3.596 -6.321 1.00 0.00 O ATOM 428 CB GLU A 27 8.371 -6.744 -7.207 1.00 0.00 C ATOM 429 CG GLU A 27 8.562 -6.087 -8.567 1.00 0.00 C ATOM 430 CD GLU A 27 7.867 -6.865 -9.652 1.00 0.00 C ATOM 431 OE1 GLU A 27 8.115 -8.041 -9.765 1.00 0.00 O ATOM 432 OE2 GLU A 27 7.007 -6.310 -10.294 1.00 0.00 O ATOM 0 H GLU A 27 8.383 -7.626 -4.902 1.00 0.00 H new ATOM 0 HA GLU A 27 10.072 -5.880 -6.223 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.796 -7.747 -7.239 1.00 0.00 H new ATOM 0 HB3 GLU A 27 7.303 -6.855 -7.017 1.00 0.00 H new ATOM 0 HG2 GLU A 27 8.173 -5.069 -8.540 1.00 0.00 H new ATOM 0 HG3 GLU A 27 9.626 -6.015 -8.792 1.00 0.00 H new ATOM 439 N LYS A 28 7.173 -4.500 -5.452 1.00 0.00 N ATOM 440 CA LYS A 28 6.458 -3.232 -5.376 1.00 0.00 C ATOM 441 C LYS A 28 6.878 -2.437 -4.147 1.00 0.00 C ATOM 442 O LYS A 28 6.852 -1.206 -4.153 1.00 0.00 O ATOM 443 CB LYS A 28 4.947 -3.468 -5.360 1.00 0.00 C ATOM 444 CG LYS A 28 4.431 -4.318 -6.512 1.00 0.00 C ATOM 445 CD LYS A 28 4.696 -3.652 -7.854 1.00 0.00 C ATOM 446 CE LYS A 28 3.938 -4.343 -8.978 1.00 0.00 C ATOM 447 NZ LYS A 28 4.431 -5.729 -9.210 1.00 0.00 N ATOM 0 H LYS A 28 6.651 -5.300 -5.094 1.00 0.00 H new ATOM 0 HA LYS A 28 6.715 -2.651 -6.262 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.677 -3.949 -4.420 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.441 -2.503 -5.381 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.911 -5.296 -6.488 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.361 -4.485 -6.392 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.401 -2.604 -7.806 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.765 -3.673 -8.067 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.876 -4.371 -8.736 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.040 -3.763 -9.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.835 -6.195 -9.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.414 -5.696 -9.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.389 -6.266 -8.320 1.00 0.00 H new ATOM 461 N TYR A 29 7.264 -3.148 -3.092 1.00 0.00 N ATOM 462 CA TYR A 29 7.838 -2.514 -1.911 1.00 0.00 C ATOM 463 C TYR A 29 9.035 -1.646 -2.277 1.00 0.00 C ATOM 464 O TYR A 29 9.164 -0.518 -1.802 1.00 0.00 O ATOM 465 CB TYR A 29 8.251 -3.572 -0.884 1.00 0.00 C ATOM 466 CG TYR A 29 9.027 -3.016 0.289 1.00 0.00 C ATOM 467 CD1 TYR A 29 8.372 -2.501 1.398 1.00 0.00 C ATOM 468 CD2 TYR A 29 10.414 -3.012 0.286 1.00 0.00 C ATOM 469 CE1 TYR A 29 9.076 -1.992 2.472 1.00 0.00 C ATOM 470 CE2 TYR A 29 11.129 -2.506 1.354 1.00 0.00 C ATOM 471 CZ TYR A 29 10.455 -1.997 2.446 1.00 0.00 C ATOM 472 OH TYR A 29 11.163 -1.493 3.514 1.00 0.00 O ATOM 0 H TYR A 29 7.190 -4.163 -3.031 1.00 0.00 H new ATOM 0 HA TYR A 29 7.074 -1.872 -1.473 1.00 0.00 H new ATOM 0 HB2 TYR A 29 7.357 -4.072 -0.512 1.00 0.00 H new ATOM 0 HB3 TYR A 29 8.856 -4.330 -1.381 1.00 0.00 H new ATOM 0 HD1 TYR A 29 7.292 -2.498 1.422 1.00 0.00 H new ATOM 0 HD2 TYR A 29 10.944 -3.411 -0.566 1.00 0.00 H new ATOM 0 HE1 TYR A 29 8.550 -1.593 3.327 1.00 0.00 H new ATOM 0 HE2 TYR A 29 12.209 -2.509 1.335 1.00 0.00 H new ATOM 0 HH TYR A 29 12.124 -1.572 3.337 1.00 0.00 H new ATOM 482 N PHE A 30 9.907 -2.178 -3.126 1.00 0.00 N ATOM 483 CA PHE A 30 11.139 -1.489 -3.492 1.00 0.00 C ATOM 484 C PHE A 30 10.906 -0.515 -4.639 1.00 0.00 C ATOM 485 O PHE A 30 11.450 0.589 -4.650 1.00 0.00 O ATOM 486 CB PHE A 30 12.224 -2.499 -3.871 1.00 0.00 C ATOM 487 CG PHE A 30 12.794 -3.245 -2.697 1.00 0.00 C ATOM 488 CD1 PHE A 30 13.551 -2.586 -1.741 1.00 0.00 C ATOM 489 CD2 PHE A 30 12.573 -4.606 -2.549 1.00 0.00 C ATOM 490 CE1 PHE A 30 14.078 -3.270 -0.662 1.00 0.00 C ATOM 491 CE2 PHE A 30 13.098 -5.292 -1.471 1.00 0.00 C ATOM 492 CZ PHE A 30 13.850 -4.625 -0.527 1.00 0.00 C ATOM 0 H PHE A 30 9.783 -3.086 -3.574 1.00 0.00 H new ATOM 0 HA PHE A 30 11.473 -0.919 -2.625 1.00 0.00 H new ATOM 0 HB2 PHE A 30 11.808 -3.216 -4.579 1.00 0.00 H new ATOM 0 HB3 PHE A 30 13.031 -1.976 -4.384 1.00 0.00 H new ATOM 0 HD1 PHE A 30 13.731 -1.526 -1.840 1.00 0.00 H new ATOM 0 HD2 PHE A 30 11.984 -5.135 -3.284 1.00 0.00 H new ATOM 0 HE1 PHE A 30 14.668 -2.745 0.075 1.00 0.00 H new ATOM 0 HE2 PHE A 30 12.919 -6.352 -1.367 1.00 0.00 H new ATOM 0 HZ PHE A 30 14.260 -5.161 0.316 1.00 0.00 H new ATOM 502 N LYS A 31 10.094 -0.930 -5.606 1.00 0.00 N ATOM 503 CA LYS A 31 9.963 -0.204 -6.862 1.00 0.00 C ATOM 504 C LYS A 31 8.743 0.709 -6.847 1.00 0.00 C ATOM 505 O LYS A 31 8.865 1.925 -6.992 1.00 0.00 O ATOM 506 CB LYS A 31 9.875 -1.178 -8.038 1.00 0.00 C ATOM 507 CG LYS A 31 11.099 -2.067 -8.209 1.00 0.00 C ATOM 508 CD LYS A 31 10.968 -2.959 -9.437 1.00 0.00 C ATOM 509 CE LYS A 31 12.161 -3.893 -9.573 1.00 0.00 C ATOM 510 NZ LYS A 31 12.043 -4.775 -10.764 1.00 0.00 N ATOM 0 H LYS A 31 9.516 -1.768 -5.542 1.00 0.00 H new ATOM 0 HA LYS A 31 10.851 0.416 -6.981 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.997 -1.810 -7.906 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.723 -0.609 -8.955 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.991 -1.447 -8.300 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.230 -2.685 -7.320 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.051 -3.545 -9.367 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.884 -2.341 -10.331 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.076 -3.305 -9.646 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.247 -4.505 -8.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.876 -5.396 -10.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.184 -5.355 -10.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 11.987 -4.192 -11.623 1.00 0.00 H new ATOM 524 N LEU A 32 7.568 0.115 -6.670 1.00 0.00 N ATOM 525 CA LEU A 32 6.312 0.814 -6.914 1.00 0.00 C ATOM 526 C LEU A 32 6.207 2.072 -6.062 1.00 0.00 C ATOM 527 O LEU A 32 5.965 3.163 -6.576 1.00 0.00 O ATOM 528 CB LEU A 32 5.124 -0.119 -6.640 1.00 0.00 C ATOM 529 CG LEU A 32 3.744 0.477 -6.945 1.00 0.00 C ATOM 530 CD1 LEU A 32 3.608 0.742 -8.437 1.00 0.00 C ATOM 531 CD2 LEU A 32 2.662 -0.479 -6.466 1.00 0.00 C ATOM 0 H LEU A 32 7.459 -0.850 -6.358 1.00 0.00 H new ATOM 0 HA LEU A 32 6.290 1.116 -7.961 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.250 -1.025 -7.232 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.150 -0.417 -5.592 1.00 0.00 H new ATOM 0 HG LEU A 32 3.633 1.425 -6.420 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.625 1.165 -8.643 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.379 1.444 -8.754 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.723 -0.193 -8.985 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.681 -0.056 -6.682 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.767 -1.434 -6.980 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.762 -0.633 -5.392 1.00 0.00 H new ATOM 543 N ILE A 33 6.388 1.912 -4.755 1.00 0.00 N ATOM 544 CA ILE A 33 6.193 3.008 -3.815 1.00 0.00 C ATOM 545 C ILE A 33 7.315 4.033 -3.923 1.00 0.00 C ATOM 546 O ILE A 33 7.105 5.225 -3.696 1.00 0.00 O ATOM 547 CB ILE A 33 6.112 2.500 -2.363 1.00 0.00 C ATOM 548 CG1 ILE A 33 4.972 1.490 -2.214 1.00 0.00 C ATOM 549 CG2 ILE A 33 5.926 3.665 -1.403 1.00 0.00 C ATOM 550 CD1 ILE A 33 3.621 2.030 -2.627 1.00 0.00 C ATOM 0 H ILE A 33 6.670 1.032 -4.323 1.00 0.00 H new ATOM 0 HA ILE A 33 5.247 3.482 -4.077 1.00 0.00 H new ATOM 0 HB ILE A 33 7.048 1.999 -2.117 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.199 0.608 -2.813 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.921 1.164 -1.175 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.871 3.289 -0.381 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.770 4.349 -1.493 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.004 4.193 -1.646 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.864 1.257 -2.493 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.371 2.894 -2.011 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.653 2.329 -3.675 1.00 0.00 H new ATOM 562 N ALA A 34 8.509 3.562 -4.271 1.00 0.00 N ATOM 563 CA ALA A 34 9.640 4.447 -4.515 1.00 0.00 C ATOM 564 C ALA A 34 9.406 5.318 -5.743 1.00 0.00 C ATOM 565 O ALA A 34 9.925 6.429 -5.837 1.00 0.00 O ATOM 566 CB ALA A 34 10.920 3.640 -4.670 1.00 0.00 C ATOM 0 H ALA A 34 8.717 2.571 -4.390 1.00 0.00 H new ATOM 0 HA ALA A 34 9.743 5.106 -3.653 1.00 0.00 H new ATOM 0 HB1 ALA A 34 11.756 4.315 -4.852 1.00 0.00 H new ATOM 0 HB2 ALA A 34 11.104 3.071 -3.758 1.00 0.00 H new ATOM 0 HB3 ALA A 34 10.818 2.954 -5.511 1.00 0.00 H new ATOM 572 N ASN A 35 8.620 4.803 -6.684 1.00 0.00 N ATOM 573 CA ASN A 35 8.308 5.535 -7.906 1.00 0.00 C ATOM 574 C ASN A 35 6.990 6.288 -7.775 1.00 0.00 C ATOM 575 O ASN A 35 6.502 6.877 -8.740 1.00 0.00 O ATOM 576 CB ASN A 35 8.270 4.613 -9.110 1.00 0.00 C ATOM 577 CG ASN A 35 9.617 4.076 -9.504 1.00 0.00 C ATOM 578 OD1 ASN A 35 10.652 4.709 -9.271 1.00 0.00 O ATOM 579 ND2 ASN A 35 9.601 2.951 -10.173 1.00 0.00 N ATOM 0 H ASN A 35 8.188 3.881 -6.623 1.00 0.00 H new ATOM 0 HA ASN A 35 9.106 6.261 -8.060 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.604 3.777 -8.895 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.842 5.152 -9.955 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.472 2.557 -10.530 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.718 2.468 -10.338 1.00 0.00 H new ATOM 586 N ALA A 36 6.418 6.265 -6.576 1.00 0.00 N ATOM 587 CA ALA A 36 5.179 6.984 -6.306 1.00 0.00 C ATOM 588 C ALA A 36 5.364 8.486 -6.481 1.00 0.00 C ATOM 589 O ALA A 36 6.363 9.054 -6.041 1.00 0.00 O ATOM 590 CB ALA A 36 4.679 6.669 -4.903 1.00 0.00 C ATOM 0 H ALA A 36 6.793 5.756 -5.776 1.00 0.00 H new ATOM 0 HA ALA A 36 4.432 6.652 -7.028 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.753 7.213 -4.716 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.495 5.598 -4.814 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.430 6.970 -4.173 1.00 0.00 H new ATOM 596 N LYS A 37 4.392 9.124 -7.125 1.00 0.00 N ATOM 597 CA LYS A 37 4.487 10.546 -7.439 1.00 0.00 C ATOM 598 C LYS A 37 3.649 11.378 -6.476 1.00 0.00 C ATOM 599 O LYS A 37 4.106 12.405 -5.971 1.00 0.00 O ATOM 600 CB LYS A 37 4.046 10.806 -8.880 1.00 0.00 C ATOM 601 CG LYS A 37 4.957 10.198 -9.937 1.00 0.00 C ATOM 602 CD LYS A 37 4.495 10.559 -11.341 1.00 0.00 C ATOM 603 CE LYS A 37 5.377 9.910 -12.399 1.00 0.00 C ATOM 604 NZ LYS A 37 4.824 10.086 -13.768 1.00 0.00 N ATOM 0 H LYS A 37 3.530 8.679 -7.440 1.00 0.00 H new ATOM 0 HA LYS A 37 5.530 10.844 -7.329 1.00 0.00 H new ATOM 0 HB2 LYS A 37 3.039 10.411 -9.015 1.00 0.00 H new ATOM 0 HB3 LYS A 37 3.991 11.883 -9.041 1.00 0.00 H new ATOM 0 HG2 LYS A 37 5.978 10.550 -9.786 1.00 0.00 H new ATOM 0 HG3 LYS A 37 4.974 9.114 -9.825 1.00 0.00 H new ATOM 0 HD2 LYS A 37 3.462 10.239 -11.480 1.00 0.00 H new ATOM 0 HD3 LYS A 37 4.513 11.642 -11.465 1.00 0.00 H new ATOM 0 HE2 LYS A 37 6.376 10.342 -12.353 1.00 0.00 H new ATOM 0 HE3 LYS A 37 5.480 8.847 -12.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.454 9.630 -14.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 3.881 9.651 -13.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 4.750 11.100 -13.985 1.00 0.00 H new ATOM 618 N THR A 38 2.425 10.932 -6.225 1.00 0.00 N ATOM 619 CA THR A 38 1.506 11.659 -5.357 1.00 0.00 C ATOM 620 C THR A 38 0.938 10.752 -4.274 1.00 0.00 C ATOM 621 O THR A 38 1.088 9.531 -4.332 1.00 0.00 O ATOM 622 CB THR A 38 0.345 12.279 -6.156 1.00 0.00 C ATOM 623 OG1 THR A 38 -0.500 11.236 -6.661 1.00 0.00 O ATOM 624 CG2 THR A 38 0.876 13.103 -7.319 1.00 0.00 C ATOM 0 H THR A 38 2.044 10.068 -6.611 1.00 0.00 H new ATOM 0 HA THR A 38 2.081 12.459 -4.891 1.00 0.00 H new ATOM 0 HB THR A 38 -0.225 12.931 -5.494 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.240 11.631 -7.168 1.00 0.00 H new ATOM 0 HG21 THR A 38 0.041 13.533 -7.872 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.510 13.904 -6.938 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.459 12.463 -7.982 1.00 0.00 H new ATOM 632 N VAL A 39 0.284 11.355 -3.287 1.00 0.00 N ATOM 633 CA VAL A 39 -0.413 10.598 -2.254 1.00 0.00 C ATOM 634 C VAL A 39 -1.644 9.900 -2.819 1.00 0.00 C ATOM 635 O VAL A 39 -2.088 8.880 -2.291 1.00 0.00 O ATOM 636 CB VAL A 39 -0.841 11.502 -1.082 1.00 0.00 C ATOM 637 CG1 VAL A 39 -2.001 12.396 -1.496 1.00 0.00 C ATOM 638 CG2 VAL A 39 -1.222 10.662 0.126 1.00 0.00 C ATOM 0 H VAL A 39 0.222 12.368 -3.181 1.00 0.00 H new ATOM 0 HA VAL A 39 0.289 9.850 -1.886 1.00 0.00 H new ATOM 0 HB VAL A 39 0.003 12.136 -0.809 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.291 13.028 -0.657 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.696 13.023 -2.334 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.848 11.778 -1.794 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.522 11.317 0.944 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.051 10.004 -0.135 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.367 10.062 0.436 1.00 0.00 H new ATOM 648 N GLU A 40 -2.190 10.454 -3.896 1.00 0.00 N ATOM 649 CA GLU A 40 -3.293 9.820 -4.609 1.00 0.00 C ATOM 650 C GLU A 40 -2.820 8.585 -5.367 1.00 0.00 C ATOM 651 O GLU A 40 -3.551 7.601 -5.485 1.00 0.00 O ATOM 652 CB GLU A 40 -3.947 10.809 -5.575 1.00 0.00 C ATOM 653 CG GLU A 40 -4.724 11.929 -4.896 1.00 0.00 C ATOM 654 CD GLU A 40 -5.276 12.899 -5.903 1.00 0.00 C ATOM 655 OE1 GLU A 40 -5.014 12.730 -7.069 1.00 0.00 O ATOM 656 OE2 GLU A 40 -6.051 13.744 -5.520 1.00 0.00 O ATOM 0 H GLU A 40 -1.886 11.342 -4.295 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.031 9.507 -3.870 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.174 11.249 -6.204 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.622 10.263 -6.234 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.540 11.505 -4.311 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.072 12.456 -4.199 1.00 0.00 H new ATOM 663 N GLY A 41 -1.595 8.642 -5.878 1.00 0.00 N ATOM 664 CA GLY A 41 -0.945 7.465 -6.442 1.00 0.00 C ATOM 665 C GLY A 41 -0.792 6.366 -5.399 1.00 0.00 C ATOM 666 O GLY A 41 -1.053 5.195 -5.676 1.00 0.00 O ATOM 0 H GLY A 41 -1.032 9.492 -5.913 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.529 7.092 -7.284 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.035 7.739 -6.831 1.00 0.00 H new ATOM 670 N VAL A 42 -0.371 6.749 -4.200 1.00 0.00 N ATOM 671 CA VAL A 42 -0.243 5.807 -3.095 1.00 0.00 C ATOM 672 C VAL A 42 -1.602 5.255 -2.681 1.00 0.00 C ATOM 673 O VAL A 42 -1.737 4.069 -2.385 1.00 0.00 O ATOM 674 CB VAL A 42 0.431 6.457 -1.872 1.00 0.00 C ATOM 675 CG1 VAL A 42 0.370 5.524 -0.672 1.00 0.00 C ATOM 676 CG2 VAL A 42 1.873 6.821 -2.188 1.00 0.00 C ATOM 0 H VAL A 42 -0.112 7.708 -3.968 1.00 0.00 H new ATOM 0 HA VAL A 42 0.384 4.990 -3.451 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.110 7.371 -1.627 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.851 5.999 0.183 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.671 5.310 -0.430 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.887 4.594 -0.908 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.333 7.279 -1.312 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.425 5.921 -2.459 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.897 7.525 -3.020 1.00 0.00 H new ATOM 686 N TRP A 43 -2.606 6.125 -2.661 1.00 0.00 N ATOM 687 CA TRP A 43 -3.966 5.716 -2.334 1.00 0.00 C ATOM 688 C TRP A 43 -4.511 4.736 -3.366 1.00 0.00 C ATOM 689 O TRP A 43 -5.272 3.829 -3.033 1.00 0.00 O ATOM 690 CB TRP A 43 -4.882 6.938 -2.240 1.00 0.00 C ATOM 691 CG TRP A 43 -4.657 7.760 -1.007 1.00 0.00 C ATOM 692 CD1 TRP A 43 -4.104 7.338 0.164 1.00 0.00 C ATOM 693 CD2 TRP A 43 -4.977 9.146 -0.825 1.00 0.00 C ATOM 694 NE1 TRP A 43 -4.061 8.372 1.067 1.00 0.00 N ATOM 695 CE2 TRP A 43 -4.590 9.495 0.480 1.00 0.00 C ATOM 696 CE3 TRP A 43 -5.552 10.125 -1.645 1.00 0.00 C ATOM 697 CZ2 TRP A 43 -4.760 10.773 0.990 1.00 0.00 C ATOM 698 CZ3 TRP A 43 -5.722 11.407 -1.133 1.00 0.00 C ATOM 699 CH2 TRP A 43 -5.337 11.721 0.144 1.00 0.00 C ATOM 0 H TRP A 43 -2.503 7.119 -2.868 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.939 5.214 -1.367 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -4.729 7.565 -3.118 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -5.920 6.607 -2.262 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -3.751 6.335 0.355 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -3.696 8.315 2.018 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -5.857 9.889 -2.654 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -4.459 11.024 1.997 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -6.166 12.170 -1.754 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -5.484 12.728 0.505 1.00 0.00 H new ATOM 710 N THR A 44 -4.113 4.924 -4.620 1.00 0.00 N ATOM 711 CA THR A 44 -4.410 3.956 -5.671 1.00 0.00 C ATOM 712 C THR A 44 -3.670 2.646 -5.436 1.00 0.00 C ATOM 713 O THR A 44 -4.219 1.565 -5.651 1.00 0.00 O ATOM 714 CB THR A 44 -4.037 4.502 -7.062 1.00 0.00 C ATOM 715 OG1 THR A 44 -4.829 5.662 -7.351 1.00 0.00 O ATOM 716 CG2 THR A 44 -4.281 3.448 -8.130 1.00 0.00 C ATOM 0 H THR A 44 -3.584 5.738 -4.934 1.00 0.00 H new ATOM 0 HA THR A 44 -5.484 3.774 -5.638 1.00 0.00 H new ATOM 0 HB THR A 44 -2.980 4.767 -7.061 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.525 6.412 -6.798 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.012 3.851 -9.107 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.672 2.569 -7.920 1.00 0.00 H new ATOM 0 HG23 THR A 44 -5.334 3.168 -8.131 1.00 0.00 H new ATOM 724 N TYR A 45 -2.422 2.746 -4.994 1.00 0.00 N ATOM 725 CA TYR A 45 -1.606 1.569 -4.722 1.00 0.00 C ATOM 726 C TYR A 45 -2.183 0.755 -3.570 1.00 0.00 C ATOM 727 O TYR A 45 -1.972 -0.454 -3.485 1.00 0.00 O ATOM 728 CB TYR A 45 -0.165 1.975 -4.408 1.00 0.00 C ATOM 729 CG TYR A 45 0.551 2.637 -5.564 1.00 0.00 C ATOM 730 CD1 TYR A 45 0.096 2.484 -6.866 1.00 0.00 C ATOM 731 CD2 TYR A 45 1.681 3.413 -5.351 1.00 0.00 C ATOM 732 CE1 TYR A 45 0.746 3.086 -7.926 1.00 0.00 C ATOM 733 CE2 TYR A 45 2.339 4.020 -6.403 1.00 0.00 C ATOM 734 CZ TYR A 45 1.868 3.853 -7.691 1.00 0.00 C ATOM 735 OH TYR A 45 2.519 4.455 -8.742 1.00 0.00 O ATOM 0 H TYR A 45 -1.952 3.633 -4.816 1.00 0.00 H new ATOM 0 HA TYR A 45 -1.610 0.947 -5.617 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.167 2.656 -3.557 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.394 1.089 -4.106 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -0.782 1.884 -7.054 1.00 0.00 H new ATOM 0 HD2 TYR A 45 2.053 3.545 -4.346 1.00 0.00 H new ATOM 0 HE1 TYR A 45 0.378 2.957 -8.933 1.00 0.00 H new ATOM 0 HE2 TYR A 45 3.217 4.622 -6.220 1.00 0.00 H new ATOM 0 HH TYR A 45 3.289 4.959 -8.404 1.00 0.00 H new ATOM 745 N LYS A 46 -2.911 1.427 -2.685 1.00 0.00 N ATOM 746 CA LYS A 46 -3.616 0.750 -1.602 1.00 0.00 C ATOM 747 C LYS A 46 -4.773 -0.084 -2.135 1.00 0.00 C ATOM 748 O LYS A 46 -5.276 -0.975 -1.451 1.00 0.00 O ATOM 749 CB LYS A 46 -4.128 1.766 -0.579 1.00 0.00 C ATOM 750 CG LYS A 46 -3.045 2.368 0.306 1.00 0.00 C ATOM 751 CD LYS A 46 -3.635 3.325 1.330 1.00 0.00 C ATOM 752 CE LYS A 46 -2.612 3.704 2.391 1.00 0.00 C ATOM 753 NZ LYS A 46 -3.212 4.531 3.473 1.00 0.00 N ATOM 0 H LYS A 46 -3.029 2.440 -2.696 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.910 0.079 -1.112 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.637 2.572 -1.108 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.871 1.282 0.055 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.507 1.571 0.818 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.319 2.896 -0.312 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.990 4.225 0.827 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.500 2.863 1.805 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.184 2.799 2.822 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.794 4.254 1.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.636 4.446 4.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.242 5.526 3.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.178 4.199 3.668 1.00 0.00 H new ATOM 767 N ASP A 47 -5.192 0.209 -3.362 1.00 0.00 N ATOM 768 CA ASP A 47 -6.184 -0.611 -4.048 1.00 0.00 C ATOM 769 C ASP A 47 -5.518 -1.646 -4.944 1.00 0.00 C ATOM 770 O ASP A 47 -6.083 -2.705 -5.211 1.00 0.00 O ATOM 771 CB ASP A 47 -7.127 0.269 -4.873 1.00 0.00 C ATOM 772 CG ASP A 47 -8.015 1.189 -4.044 1.00 0.00 C ATOM 773 OD1 ASP A 47 -8.699 0.697 -3.178 1.00 0.00 O ATOM 774 OD2 ASP A 47 -7.886 2.382 -4.176 1.00 0.00 O ATOM 0 H ASP A 47 -4.860 1.008 -3.902 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.763 -1.138 -3.290 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.533 0.876 -5.556 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -7.761 -0.373 -5.485 1.00 0.00 H new ATOM 779 N GLU A 48 -4.311 -1.334 -5.406 1.00 0.00 N ATOM 780 CA GLU A 48 -3.548 -2.255 -6.239 1.00 0.00 C ATOM 781 C GLU A 48 -3.068 -3.457 -5.436 1.00 0.00 C ATOM 782 O GLU A 48 -2.952 -4.563 -5.965 1.00 0.00 O ATOM 783 CB GLU A 48 -2.355 -1.538 -6.876 1.00 0.00 C ATOM 784 CG GLU A 48 -2.731 -0.482 -7.906 1.00 0.00 C ATOM 785 CD GLU A 48 -3.537 -1.076 -9.027 1.00 0.00 C ATOM 786 OE1 GLU A 48 -3.099 -2.046 -9.600 1.00 0.00 O ATOM 787 OE2 GLU A 48 -4.642 -0.634 -9.239 1.00 0.00 O ATOM 0 H GLU A 48 -3.840 -0.449 -5.217 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.208 -2.615 -7.028 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.768 -1.066 -6.088 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.713 -2.279 -7.352 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.303 0.311 -7.425 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.827 -0.025 -8.308 1.00 0.00 H new ATOM 794 N ILE A 49 -2.792 -3.235 -4.156 1.00 0.00 N ATOM 795 CA ILE A 49 -2.327 -4.299 -3.276 1.00 0.00 C ATOM 796 C ILE A 49 -3.394 -5.371 -3.098 1.00 0.00 C ATOM 797 O ILE A 49 -3.094 -6.501 -2.711 1.00 0.00 O ATOM 798 CB ILE A 49 -1.922 -3.754 -1.894 1.00 0.00 C ATOM 799 CG1 ILE A 49 -1.038 -4.766 -1.159 1.00 0.00 C ATOM 800 CG2 ILE A 49 -3.157 -3.426 -1.070 1.00 0.00 C ATOM 801 CD1 ILE A 49 -0.359 -4.204 0.069 1.00 0.00 C ATOM 0 H ILE A 49 -2.883 -2.325 -3.704 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.451 -4.739 -3.751 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.350 -2.837 -2.037 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.647 -5.621 -0.867 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.277 -5.136 -1.846 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.853 -3.042 -0.096 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.751 -2.673 -1.588 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.754 -4.328 -0.934 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.249 -4.979 0.535 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.278 -3.367 -0.218 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.113 -3.860 0.777 1.00 0.00 H new ATOM 813 N LYS A 50 -4.641 -5.010 -3.379 1.00 0.00 N ATOM 814 CA LYS A 50 -5.750 -5.954 -3.297 1.00 0.00 C ATOM 815 C LYS A 50 -5.622 -7.046 -4.351 1.00 0.00 C ATOM 816 O LYS A 50 -6.220 -8.115 -4.226 1.00 0.00 O ATOM 817 CB LYS A 50 -7.085 -5.227 -3.454 1.00 0.00 C ATOM 818 CG LYS A 50 -7.407 -4.251 -2.328 1.00 0.00 C ATOM 819 CD LYS A 50 -8.635 -3.415 -2.655 1.00 0.00 C ATOM 820 CE LYS A 50 -8.987 -2.477 -1.511 1.00 0.00 C ATOM 821 NZ LYS A 50 -10.033 -1.492 -1.899 1.00 0.00 N ATOM 0 H LYS A 50 -4.910 -4.069 -3.666 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.716 -6.423 -2.314 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.080 -4.684 -4.399 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.883 -5.967 -3.516 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.576 -4.803 -1.403 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.553 -3.595 -2.157 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.452 -2.835 -3.560 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.480 -4.072 -2.862 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.336 -3.060 -0.659 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.091 -1.946 -1.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.541 -1.172 -1.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.586 -0.676 -2.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -10.704 -1.939 -2.556 1.00 0.00 H new ATOM 835 N THR A 51 -4.838 -6.773 -5.387 1.00 0.00 N ATOM 836 CA THR A 51 -4.593 -7.750 -6.442 1.00 0.00 C ATOM 837 C THR A 51 -3.175 -8.297 -6.366 1.00 0.00 C ATOM 838 O THR A 51 -2.867 -9.336 -6.953 1.00 0.00 O ATOM 839 CB THR A 51 -4.824 -7.145 -7.838 1.00 0.00 C ATOM 840 OG1 THR A 51 -3.907 -6.064 -8.053 1.00 0.00 O ATOM 841 CG2 THR A 51 -6.249 -6.626 -7.966 1.00 0.00 C ATOM 0 H THR A 51 -4.360 -5.882 -5.520 1.00 0.00 H new ATOM 0 HA THR A 51 -5.302 -8.563 -6.287 1.00 0.00 H new ATOM 0 HB THR A 51 -4.662 -7.923 -8.584 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.621 -5.701 -7.189 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.394 -6.202 -8.960 1.00 0.00 H new ATOM 0 HG22 THR A 51 -6.950 -7.447 -7.816 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.425 -5.857 -7.214 1.00 0.00 H new ATOM 849 N PHE A 52 -2.311 -7.594 -5.640 1.00 0.00 N ATOM 850 CA PHE A 52 -0.952 -8.063 -5.399 1.00 0.00 C ATOM 851 C PHE A 52 -0.947 -9.328 -4.552 1.00 0.00 C ATOM 852 O PHE A 52 -0.102 -10.204 -4.731 1.00 0.00 O ATOM 853 CB PHE A 52 -0.123 -6.972 -4.719 1.00 0.00 C ATOM 854 CG PHE A 52 0.139 -5.777 -5.591 1.00 0.00 C ATOM 855 CD1 PHE A 52 -0.142 -5.818 -6.949 1.00 0.00 C ATOM 856 CD2 PHE A 52 0.668 -4.612 -5.057 1.00 0.00 C ATOM 857 CE1 PHE A 52 0.100 -4.719 -7.753 1.00 0.00 C ATOM 858 CE2 PHE A 52 0.909 -3.513 -5.858 1.00 0.00 C ATOM 859 CZ PHE A 52 0.625 -3.566 -7.208 1.00 0.00 C ATOM 0 H PHE A 52 -2.529 -6.696 -5.208 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.505 -8.299 -6.365 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.640 -6.645 -3.817 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.830 -7.396 -4.404 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.554 -6.717 -7.383 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.894 -4.563 -4.002 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.122 -4.764 -8.809 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.320 -2.612 -5.428 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.813 -2.707 -7.835 1.00 0.00 H new ATOM 869 N THR A 53 -1.897 -9.418 -3.627 1.00 0.00 N ATOM 870 CA THR A 53 -2.044 -10.605 -2.793 1.00 0.00 C ATOM 871 C THR A 53 -2.613 -11.771 -3.590 1.00 0.00 C ATOM 872 O THR A 53 -2.466 -12.931 -3.203 1.00 0.00 O ATOM 873 CB THR A 53 -2.953 -10.335 -1.579 1.00 0.00 C ATOM 874 OG1 THR A 53 -4.253 -9.934 -2.033 1.00 0.00 O ATOM 875 CG2 THR A 53 -2.366 -9.236 -0.707 1.00 0.00 C ATOM 0 H THR A 53 -2.577 -8.682 -3.436 1.00 0.00 H new ATOM 0 HA THR A 53 -1.046 -10.863 -2.438 1.00 0.00 H new ATOM 0 HB THR A 53 -3.030 -11.250 -0.991 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.831 -9.764 -1.260 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.022 -9.059 0.146 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.382 -9.541 -0.351 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.273 -8.320 -1.290 1.00 0.00 H new ATOM 883 N VAL A 54 -3.262 -11.459 -4.705 1.00 0.00 N ATOM 884 CA VAL A 54 -3.735 -12.483 -5.630 1.00 0.00 C ATOM 885 C VAL A 54 -2.596 -13.026 -6.482 1.00 0.00 C ATOM 886 O VAL A 54 -2.509 -14.230 -6.725 1.00 0.00 O ATOM 887 CB VAL A 54 -4.841 -11.942 -6.555 1.00 0.00 C ATOM 888 CG1 VAL A 54 -5.222 -12.983 -7.597 1.00 0.00 C ATOM 889 CG2 VAL A 54 -6.062 -11.531 -5.744 1.00 0.00 C ATOM 0 H VAL A 54 -3.473 -10.503 -4.992 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.145 -13.289 -5.021 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.457 -11.062 -7.071 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -6.005 -12.583 -8.242 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.348 -13.232 -8.199 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.586 -13.881 -7.098 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.833 -11.151 -6.414 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.446 -12.395 -5.202 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.782 -10.752 -5.035 1.00 0.00 H new ATOM 899 N THR A 55 -1.722 -12.132 -6.932 1.00 0.00 N ATOM 900 CA THR A 55 -0.574 -12.523 -7.741 1.00 0.00 C ATOM 901 C THR A 55 0.572 -13.019 -6.869 1.00 0.00 C ATOM 902 O THR A 55 1.507 -13.653 -7.359 1.00 0.00 O ATOM 903 CB THR A 55 -0.073 -11.355 -8.613 1.00 0.00 C ATOM 904 OG1 THR A 55 0.344 -10.272 -7.770 1.00 0.00 O ATOM 905 CG2 THR A 55 -1.175 -10.873 -9.544 1.00 0.00 C ATOM 0 H THR A 55 -1.787 -11.131 -6.750 1.00 0.00 H new ATOM 0 HA THR A 55 -0.909 -13.332 -8.390 1.00 0.00 H new ATOM 0 HB THR A 55 0.768 -11.703 -9.213 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.126 -10.480 -6.838 1.00 0.00 H new ATOM 0 HG21 THR A 55 -0.803 -10.048 -10.152 1.00 0.00 H new ATOM 0 HG22 THR A 55 -1.486 -11.691 -10.194 1.00 0.00 H new ATOM 0 HG23 THR A 55 -2.027 -10.534 -8.955 1.00 0.00 H new ATOM 913 N GLU A 56 0.492 -12.730 -5.575 1.00 0.00 N ATOM 914 CA GLU A 56 1.485 -13.208 -4.620 1.00 0.00 C ATOM 915 C GLU A 56 1.897 -14.641 -4.926 1.00 0.00 C ATOM 916 O GLU A 56 2.696 -14.865 -5.793 1.00 0.00 O ATOM 917 CB GLU A 56 0.946 -13.109 -3.192 1.00 0.00 C ATOM 918 CG GLU A 56 1.920 -13.572 -2.118 1.00 0.00 C ATOM 919 CD GLU A 56 1.303 -13.496 -0.749 1.00 0.00 C ATOM 920 OE1 GLU A 56 0.203 -13.008 -0.641 1.00 0.00 O ATOM 921 OE2 GLU A 56 1.879 -14.025 0.171 1.00 0.00 O ATOM 922 OXT GLU A 56 1.424 -15.550 -4.301 1.00 0.00 O ATOM 0 H GLU A 56 -0.251 -12.166 -5.163 1.00 0.00 H new ATOM 0 HA GLU A 56 2.367 -12.573 -4.710 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.669 -12.074 -2.992 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.035 -13.702 -3.119 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.230 -14.597 -2.323 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.818 -12.955 -2.149 1.00 0.00 H new TER 929 GLU A 56