USER MOD reduce.3.24.130724 H: found=0, std=0, add=467, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 467 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 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 49 THR OG1 : rot 60:sc= 0 USER MOD Set 1.3: A 51 THR OG1 : rot 180:sc= -0.0129 USER MOD Set 2.1: A 3 TYR OH : rot 165:sc= -5.33! USER MOD Set 2.2: A 45 TYR OH : rot 54:sc= -0.818 USER MOD Set 3.1: A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 THR N :NH3+ 127:sc= 1.57 (180deg=0.621) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.194 USER MOD Single : A 2 THR OG1 : rot 15:sc= 1 USER MOD Single : A 8 ASN : amide:sc= -1.46 K(o=-1.5,f=-6.8!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.166 K(o=-0.17,f=-2.1!) USER MOD Single : A 13 LYS NZ :NH3+ -165:sc= 0.417 (180deg=0.311) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -92:sc= -0.997 (180deg=-2.45!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.15 X(o=-0.15,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -92:sc= -2.35! USER MOD Single : A 44 THR OG1 : rot 71:sc= 0.203 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0477 USER MOD Single : A 55 THR OG1 : rot 87:sc= 0.944 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 4.124 -13.017 -1.140 1.00 0.00 N ATOM 2 CA THR A 1 3.565 -12.150 -2.211 1.00 0.00 C ATOM 3 C THR A 1 4.167 -10.749 -2.159 1.00 0.00 C ATOM 4 O THR A 1 4.142 -10.092 -1.119 1.00 0.00 O ATOM 5 CB THR A 1 2.046 -12.080 -2.040 1.00 0.00 C ATOM 6 OG1 THR A 1 1.565 -13.218 -1.349 1.00 0.00 O ATOM 7 CG2 THR A 1 1.298 -11.991 -3.354 1.00 0.00 C ATOM 0 H1 THR A 1 3.346 -13.439 -0.594 1.00 0.00 H new ATOM 0 H2 THR A 1 4.696 -13.773 -1.568 1.00 0.00 H new ATOM 0 H3 THR A 1 4.721 -12.447 -0.508 1.00 0.00 H new ATOM 0 HA THR A 1 3.814 -12.577 -3.182 1.00 0.00 H new ATOM 0 HB THR A 1 1.862 -11.167 -1.473 1.00 0.00 H new ATOM 0 HG1 THR A 1 0.592 -13.153 -1.249 1.00 0.00 H new ATOM 0 HG21 THR A 1 0.226 -11.944 -3.160 1.00 0.00 H new ATOM 0 HG22 THR A 1 1.609 -11.094 -3.890 1.00 0.00 H new ATOM 0 HG23 THR A 1 1.519 -12.870 -3.959 1.00 0.00 H new ATOM 17 N THR A 2 4.708 -10.302 -3.287 1.00 0.00 N ATOM 18 CA THR A 2 5.316 -8.979 -3.368 1.00 0.00 C ATOM 19 C THR A 2 4.259 -7.884 -3.276 1.00 0.00 C ATOM 20 O THR A 2 3.281 -7.887 -4.022 1.00 0.00 O ATOM 21 CB THR A 2 6.105 -8.840 -4.671 1.00 0.00 C ATOM 22 OG1 THR A 2 6.836 -7.628 -4.686 1.00 0.00 O ATOM 23 CG2 THR A 2 5.231 -8.864 -5.907 1.00 0.00 C ATOM 0 H THR A 2 4.738 -10.835 -4.156 1.00 0.00 H new ATOM 0 HA THR A 2 5.997 -8.866 -2.525 1.00 0.00 H new ATOM 0 HB THR A 2 6.769 -9.704 -4.700 1.00 0.00 H new ATOM 0 HG1 THR A 2 6.873 -7.257 -3.780 1.00 0.00 H new ATOM 0 HG21 THR A 2 5.854 -8.761 -6.795 1.00 0.00 H new ATOM 0 HG22 THR A 2 4.689 -9.809 -5.951 1.00 0.00 H new ATOM 0 HG23 THR A 2 4.519 -8.039 -5.865 1.00 0.00 H new ATOM 31 N TYR A 3 4.466 -6.947 -2.357 1.00 0.00 N ATOM 32 CA TYR A 3 3.531 -5.844 -2.169 1.00 0.00 C ATOM 33 C TYR A 3 4.046 -4.575 -2.837 1.00 0.00 C ATOM 34 O TYR A 3 5.247 -4.298 -2.820 1.00 0.00 O ATOM 35 CB TYR A 3 3.304 -5.597 -0.675 1.00 0.00 C ATOM 36 CG TYR A 3 2.003 -6.169 -0.172 1.00 0.00 C ATOM 37 CD1 TYR A 3 0.817 -5.456 -0.284 1.00 0.00 C ATOM 38 CD2 TYR A 3 1.957 -7.435 0.396 1.00 0.00 C ATOM 39 CE1 TYR A 3 -0.378 -5.987 0.160 1.00 0.00 C ATOM 40 CE2 TYR A 3 0.765 -7.975 0.841 1.00 0.00 C ATOM 41 CZ TYR A 3 -0.400 -7.248 0.719 1.00 0.00 C ATOM 42 OH TYR A 3 -1.588 -7.786 1.154 1.00 0.00 O ATOM 0 H TYR A 3 5.272 -6.929 -1.732 1.00 0.00 H new ATOM 0 HA TYR A 3 2.583 -6.115 -2.635 1.00 0.00 H new ATOM 0 HB2 TYR A 3 4.128 -6.034 -0.111 1.00 0.00 H new ATOM 0 HB3 TYR A 3 3.320 -4.524 -0.484 1.00 0.00 H new ATOM 0 HD1 TYR A 3 0.829 -4.470 -0.725 1.00 0.00 H new ATOM 0 HD2 TYR A 3 2.868 -8.007 0.492 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -1.291 -5.418 0.070 1.00 0.00 H new ATOM 0 HE2 TYR A 3 0.746 -8.961 1.282 1.00 0.00 H new ATOM 0 HH TYR A 3 -1.479 -8.750 1.295 1.00 0.00 H new ATOM 52 N LYS A 4 3.138 -3.805 -3.428 1.00 0.00 N ATOM 53 CA LYS A 4 3.514 -2.567 -4.104 1.00 0.00 C ATOM 54 C LYS A 4 2.818 -1.359 -3.477 1.00 0.00 C ATOM 55 O LYS A 4 1.609 -1.377 -3.244 1.00 0.00 O ATOM 56 CB LYS A 4 3.170 -2.647 -5.592 1.00 0.00 C ATOM 57 CG LYS A 4 3.644 -3.928 -6.259 1.00 0.00 C ATOM 58 CD LYS A 4 2.764 -4.297 -7.443 1.00 0.00 C ATOM 59 CE LYS A 4 3.003 -5.732 -7.888 1.00 0.00 C ATOM 60 NZ LYS A 4 2.080 -6.133 -8.984 1.00 0.00 N ATOM 0 H LYS A 4 2.140 -4.015 -3.453 1.00 0.00 H new ATOM 0 HA LYS A 4 4.591 -2.441 -3.990 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.090 -2.563 -5.711 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.614 -1.794 -6.105 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.674 -3.806 -6.594 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.639 -4.741 -5.533 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.716 -4.168 -7.173 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.965 -3.619 -8.273 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.034 -5.841 -8.223 1.00 0.00 H new ATOM 0 HE3 LYS A 4 2.871 -6.402 -7.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.274 -7.117 -9.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.096 -6.053 -8.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.223 -5.510 -9.804 1.00 0.00 H new ATOM 74 N LEU A 5 3.592 -0.310 -3.214 1.00 0.00 N ATOM 75 CA LEU A 5 3.056 0.909 -2.619 1.00 0.00 C ATOM 76 C LEU A 5 3.523 2.138 -3.395 1.00 0.00 C ATOM 77 O LEU A 5 4.699 2.257 -3.745 1.00 0.00 O ATOM 78 CB LEU A 5 3.475 1.023 -1.151 1.00 0.00 C ATOM 79 CG LEU A 5 3.152 2.363 -0.480 1.00 0.00 C ATOM 80 CD1 LEU A 5 1.656 2.629 -0.513 1.00 0.00 C ATOM 81 CD2 LEU A 5 3.669 2.378 0.949 1.00 0.00 C ATOM 0 H LEU A 5 4.594 -0.280 -3.404 1.00 0.00 H new ATOM 0 HA LEU A 5 1.968 0.859 -2.668 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.988 0.227 -0.588 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.549 0.851 -1.082 1.00 0.00 H new ATOM 0 HG LEU A 5 3.652 3.157 -1.034 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.446 3.584 -0.032 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.315 2.661 -1.548 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.133 1.833 0.017 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.432 3.336 1.412 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.197 1.575 1.515 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.749 2.234 0.947 1.00 0.00 H new ATOM 93 N ILE A 6 2.592 3.045 -3.661 1.00 0.00 N ATOM 94 CA ILE A 6 2.898 4.265 -4.398 1.00 0.00 C ATOM 95 C ILE A 6 2.369 5.491 -3.661 1.00 0.00 C ATOM 96 O ILE A 6 1.227 5.506 -3.201 1.00 0.00 O ATOM 97 CB ILE A 6 2.301 4.224 -5.827 1.00 0.00 C ATOM 98 CG1 ILE A 6 2.212 5.633 -6.423 1.00 0.00 C ATOM 99 CG2 ILE A 6 0.929 3.566 -5.815 1.00 0.00 C ATOM 100 CD1 ILE A 6 1.895 5.646 -7.904 1.00 0.00 C ATOM 0 H ILE A 6 1.616 2.959 -3.377 1.00 0.00 H new ATOM 0 HA ILE A 6 3.983 4.334 -4.474 1.00 0.00 H new ATOM 0 HB ILE A 6 2.966 3.630 -6.454 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.445 6.196 -5.891 1.00 0.00 H new ATOM 0 HG13 ILE A 6 3.158 6.149 -6.258 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.526 3.547 -6.828 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.018 2.546 -5.440 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.259 4.133 -5.169 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.848 6.676 -8.257 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.674 5.112 -8.448 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.935 5.159 -8.075 1.00 0.00 H new ATOM 112 N LEU A 7 3.204 6.521 -3.560 1.00 0.00 N ATOM 113 CA LEU A 7 2.810 7.754 -2.887 1.00 0.00 C ATOM 114 C LEU A 7 3.013 8.959 -3.798 1.00 0.00 C ATOM 115 O LEU A 7 4.052 9.098 -4.440 1.00 0.00 O ATOM 116 CB LEU A 7 3.605 7.948 -1.596 1.00 0.00 C ATOM 117 CG LEU A 7 3.432 6.847 -0.549 1.00 0.00 C ATOM 118 CD1 LEU A 7 4.509 5.785 -0.706 1.00 0.00 C ATOM 119 CD2 LEU A 7 3.466 7.438 0.854 1.00 0.00 C ATOM 0 H LEU A 7 4.153 6.527 -3.934 1.00 0.00 H new ATOM 0 HA LEU A 7 1.751 7.671 -2.641 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.663 8.023 -1.848 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.315 8.899 -1.150 1.00 0.00 H new ATOM 0 HG LEU A 7 2.461 6.376 -0.702 1.00 0.00 H new ATOM 0 HD11 LEU A 7 4.369 5.010 0.048 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.440 5.341 -1.699 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.491 6.241 -0.579 1.00 0.00 H new ATOM 0 HD21 LEU A 7 3.342 6.641 1.587 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.423 7.935 1.017 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.658 8.162 0.964 1.00 0.00 H new ATOM 131 N ASN A 8 2.009 9.832 -3.846 1.00 0.00 N ATOM 132 CA ASN A 8 2.081 11.025 -4.679 1.00 0.00 C ATOM 133 C ASN A 8 1.840 12.283 -3.852 1.00 0.00 C ATOM 134 O ASN A 8 0.734 12.518 -3.366 1.00 0.00 O ATOM 135 CB ASN A 8 1.059 10.946 -5.817 1.00 0.00 C ATOM 136 CG ASN A 8 1.060 9.593 -6.504 1.00 0.00 C ATOM 137 OD1 ASN A 8 0.981 8.551 -5.851 1.00 0.00 O ATOM 138 ND2 ASN A 8 1.152 9.602 -7.826 1.00 0.00 N ATOM 0 H ASN A 8 1.141 9.734 -3.320 1.00 0.00 H new ATOM 0 HA ASN A 8 3.083 11.077 -5.104 1.00 0.00 H new ATOM 0 HB2 ASN A 8 0.064 11.149 -5.422 1.00 0.00 H new ATOM 0 HB3 ASN A 8 1.275 11.723 -6.550 1.00 0.00 H new ATOM 0 HD21 ASN A 8 1.159 8.723 -8.343 1.00 0.00 H new ATOM 0 HD22 ASN A 8 1.215 10.488 -8.327 1.00 0.00 H new ATOM 145 N LEU A 9 2.883 13.093 -3.698 1.00 0.00 N ATOM 146 CA LEU A 9 2.783 14.331 -2.932 1.00 0.00 C ATOM 147 C LEU A 9 2.736 15.540 -3.861 1.00 0.00 C ATOM 148 O LEU A 9 2.879 15.402 -5.076 1.00 0.00 O ATOM 149 CB LEU A 9 3.963 14.459 -1.969 1.00 0.00 C ATOM 150 CG LEU A 9 4.057 13.384 -0.894 1.00 0.00 C ATOM 151 CD1 LEU A 9 5.336 13.533 -0.084 1.00 0.00 C ATOM 152 CD2 LEU A 9 2.839 13.443 0.018 1.00 0.00 C ATOM 0 H LEU A 9 3.806 12.915 -4.093 1.00 0.00 H new ATOM 0 HA LEU A 9 1.858 14.299 -2.356 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.885 14.448 -2.550 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.906 15.432 -1.480 1.00 0.00 H new ATOM 0 HG LEU A 9 4.081 12.411 -1.385 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.378 12.753 0.676 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.198 13.442 -0.745 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.350 14.511 0.398 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.919 12.670 0.782 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.789 14.421 0.496 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.936 13.280 -0.570 1.00 0.00 H new ATOM 164 N LYS A 10 2.533 16.717 -3.281 1.00 0.00 N ATOM 165 CA LYS A 10 2.473 17.939 -4.059 1.00 0.00 C ATOM 166 C LYS A 10 3.871 18.511 -4.323 1.00 0.00 C ATOM 167 O LYS A 10 4.016 19.561 -4.925 1.00 0.00 O ATOM 168 CB LYS A 10 1.625 18.987 -3.332 1.00 0.00 C ATOM 169 CG LYS A 10 0.733 19.798 -4.258 1.00 0.00 C ATOM 170 CD LYS A 10 -0.706 19.314 -4.219 1.00 0.00 C ATOM 171 CE LYS A 10 -1.539 20.094 -3.214 1.00 0.00 C ATOM 172 NZ LYS A 10 -1.984 21.397 -3.768 1.00 0.00 N ATOM 0 H LYS A 10 2.408 16.846 -2.277 1.00 0.00 H new ATOM 0 HA LYS A 10 2.016 17.694 -5.018 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.004 18.487 -2.589 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.285 19.665 -2.792 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.771 20.849 -3.971 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.112 19.732 -5.278 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.149 19.411 -5.210 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.726 18.255 -3.963 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.409 19.504 -2.926 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.955 20.263 -2.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.549 21.902 -3.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.153 21.969 -4.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.562 21.234 -4.617 1.00 0.00 H new ATOM 186 N GLN A 11 4.892 17.789 -3.865 1.00 0.00 N ATOM 187 CA GLN A 11 6.271 18.224 -4.055 1.00 0.00 C ATOM 188 C GLN A 11 7.250 17.101 -3.722 1.00 0.00 C ATOM 189 O GLN A 11 8.357 17.356 -3.245 1.00 0.00 O ATOM 190 CB GLN A 11 6.568 19.451 -3.186 1.00 0.00 C ATOM 191 CG GLN A 11 6.484 19.169 -1.694 1.00 0.00 C ATOM 192 CD GLN A 11 6.108 20.387 -0.889 1.00 0.00 C ATOM 193 OE1 GLN A 11 5.505 21.327 -1.411 1.00 0.00 O ATOM 194 NE2 GLN A 11 6.459 20.396 0.392 1.00 0.00 N ATOM 0 H GLN A 11 4.790 16.907 -3.363 1.00 0.00 H new ATOM 0 HA GLN A 11 6.398 18.491 -5.104 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.565 19.822 -3.423 1.00 0.00 H new ATOM 0 HB3 GLN A 11 5.865 20.245 -3.438 1.00 0.00 H new ATOM 0 HG2 GLN A 11 5.750 18.382 -1.518 1.00 0.00 H new ATOM 0 HG3 GLN A 11 7.445 18.792 -1.346 1.00 0.00 H new ATOM 0 HE21 GLN A 11 6.957 19.600 0.790 1.00 0.00 H new ATOM 0 HE22 GLN A 11 6.230 21.199 0.978 1.00 0.00 H new ATOM 203 N ALA A 12 6.841 15.869 -3.978 1.00 0.00 N ATOM 204 CA ALA A 12 7.685 14.711 -3.706 1.00 0.00 C ATOM 205 C ALA A 12 7.016 13.415 -4.159 1.00 0.00 C ATOM 206 O ALA A 12 6.167 12.866 -3.462 1.00 0.00 O ATOM 207 CB ALA A 12 8.016 14.641 -2.221 1.00 0.00 C ATOM 0 H ALA A 12 5.929 15.642 -4.374 1.00 0.00 H new ATOM 0 HA ALA A 12 8.608 14.827 -4.274 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.646 13.773 -2.029 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.545 15.546 -1.923 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.094 14.554 -1.646 1.00 0.00 H new ATOM 213 N LYS A 13 7.409 12.935 -5.334 1.00 0.00 N ATOM 214 CA LYS A 13 6.854 11.704 -5.881 1.00 0.00 C ATOM 215 C LYS A 13 7.750 10.511 -5.555 1.00 0.00 C ATOM 216 O LYS A 13 8.938 10.513 -5.887 1.00 0.00 O ATOM 217 CB LYS A 13 6.674 11.826 -7.394 1.00 0.00 C ATOM 218 CG LYS A 13 5.529 10.990 -7.942 1.00 0.00 C ATOM 219 CD LYS A 13 6.033 9.722 -8.615 1.00 0.00 C ATOM 220 CE LYS A 13 6.946 10.042 -9.790 1.00 0.00 C ATOM 221 NZ LYS A 13 6.696 9.133 -10.945 1.00 0.00 N ATOM 0 H LYS A 13 8.110 13.381 -5.926 1.00 0.00 H new ATOM 0 HA LYS A 13 5.879 11.539 -5.421 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.502 12.872 -7.647 1.00 0.00 H new ATOM 0 HB3 LYS A 13 7.599 11.526 -7.886 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.850 10.727 -7.131 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.957 11.580 -8.658 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.572 9.113 -7.889 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.185 9.131 -8.961 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.792 11.076 -10.100 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.986 9.955 -9.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.485 9.203 -11.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.617 8.153 -10.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.812 9.408 -11.418 1.00 0.00 H new ATOM 235 N GLU A 14 7.185 9.507 -4.903 1.00 0.00 N ATOM 236 CA GLU A 14 7.944 8.316 -4.535 1.00 0.00 C ATOM 237 C GLU A 14 7.134 7.049 -4.787 1.00 0.00 C ATOM 238 O GLU A 14 5.970 6.954 -4.398 1.00 0.00 O ATOM 239 CB GLU A 14 8.360 8.381 -3.060 1.00 0.00 C ATOM 240 CG GLU A 14 8.624 9.786 -2.547 1.00 0.00 C ATOM 241 CD GLU A 14 8.713 9.847 -1.035 1.00 0.00 C ATOM 242 OE1 GLU A 14 7.934 9.152 -0.367 1.00 0.00 O ATOM 243 OE2 GLU A 14 9.575 10.605 -0.526 1.00 0.00 O ATOM 0 H GLU A 14 6.206 9.490 -4.617 1.00 0.00 H new ATOM 0 HA GLU A 14 8.838 8.285 -5.158 1.00 0.00 H new ATOM 0 HB2 GLU A 14 7.577 7.926 -2.453 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.259 7.781 -2.921 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.554 10.157 -2.977 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.828 10.449 -2.888 1.00 0.00 H new ATOM 250 N GLU A 15 7.762 6.075 -5.437 1.00 0.00 N ATOM 251 CA GLU A 15 7.111 4.806 -5.740 1.00 0.00 C ATOM 252 C GLU A 15 8.097 3.651 -5.592 1.00 0.00 C ATOM 253 O GLU A 15 9.220 3.719 -6.088 1.00 0.00 O ATOM 254 CB GLU A 15 6.546 4.827 -7.162 1.00 0.00 C ATOM 255 CG GLU A 15 5.379 5.783 -7.341 1.00 0.00 C ATOM 256 CD GLU A 15 5.530 6.665 -8.565 1.00 0.00 C ATOM 257 OE1 GLU A 15 6.682 6.988 -8.925 1.00 0.00 O ATOM 258 OE2 GLU A 15 4.497 7.036 -9.163 1.00 0.00 O ATOM 0 H GLU A 15 8.725 6.141 -5.765 1.00 0.00 H new ATOM 0 HA GLU A 15 6.293 4.662 -5.034 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.340 5.104 -7.855 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.225 3.821 -7.431 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.455 5.211 -7.422 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.289 6.411 -6.454 1.00 0.00 H new ATOM 265 N ALA A 16 7.677 2.595 -4.903 1.00 0.00 N ATOM 266 CA ALA A 16 8.536 1.436 -4.695 1.00 0.00 C ATOM 267 C ALA A 16 7.717 0.171 -4.456 1.00 0.00 C ATOM 268 O ALA A 16 6.494 0.219 -4.350 1.00 0.00 O ATOM 269 CB ALA A 16 9.475 1.684 -3.526 1.00 0.00 C ATOM 0 H ALA A 16 6.751 2.518 -4.481 1.00 0.00 H new ATOM 0 HA ALA A 16 9.124 1.286 -5.601 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.112 0.812 -3.380 1.00 0.00 H new ATOM 0 HB2 ALA A 16 10.095 2.555 -3.736 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.892 1.863 -2.623 1.00 0.00 H new ATOM 275 N ILE A 17 8.409 -0.964 -4.375 1.00 0.00 N ATOM 276 CA ILE A 17 7.758 -2.248 -4.148 1.00 0.00 C ATOM 277 C ILE A 17 8.485 -3.046 -3.070 1.00 0.00 C ATOM 278 O ILE A 17 9.709 -2.971 -2.948 1.00 0.00 O ATOM 279 CB ILE A 17 7.701 -3.092 -5.440 1.00 0.00 C ATOM 280 CG1 ILE A 17 7.310 -2.218 -6.635 1.00 0.00 C ATOM 281 CG2 ILE A 17 6.723 -4.244 -5.275 1.00 0.00 C ATOM 282 CD1 ILE A 17 5.948 -1.572 -6.495 1.00 0.00 C ATOM 0 H ILE A 17 9.424 -1.018 -4.464 1.00 0.00 H new ATOM 0 HA ILE A 17 6.741 -2.032 -3.820 1.00 0.00 H new ATOM 0 HB ILE A 17 8.692 -3.505 -5.629 1.00 0.00 H new ATOM 0 HG12 ILE A 17 8.061 -1.438 -6.765 1.00 0.00 H new ATOM 0 HG13 ILE A 17 7.323 -2.827 -7.539 1.00 0.00 H new ATOM 0 HG21 ILE A 17 6.693 -4.830 -6.193 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.045 -4.879 -4.449 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.729 -3.850 -5.064 1.00 0.00 H new ATOM 0 HD11 ILE A 17 5.739 -0.968 -7.378 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.187 -2.346 -6.396 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.936 -0.936 -5.610 1.00 0.00 H new ATOM 294 N LYS A 18 7.726 -3.805 -2.285 1.00 0.00 N ATOM 295 CA LYS A 18 8.301 -4.612 -1.213 1.00 0.00 C ATOM 296 C LYS A 18 7.849 -6.065 -1.326 1.00 0.00 C ATOM 297 O LYS A 18 7.003 -6.402 -2.151 1.00 0.00 O ATOM 298 CB LYS A 18 7.903 -4.054 0.158 1.00 0.00 C ATOM 299 CG LYS A 18 7.778 -2.535 0.201 1.00 0.00 C ATOM 300 CD LYS A 18 9.071 -1.876 0.654 1.00 0.00 C ATOM 301 CE LYS A 18 10.141 -1.945 -0.421 1.00 0.00 C ATOM 302 NZ LYS A 18 11.406 -1.288 0.009 1.00 0.00 N ATOM 0 H LYS A 18 6.712 -3.878 -2.371 1.00 0.00 H new ATOM 0 HA LYS A 18 9.386 -4.572 -1.311 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.951 -4.494 0.455 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.643 -4.368 0.894 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.508 -2.164 -0.788 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.971 -2.255 0.878 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.879 -0.834 0.910 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.432 -2.365 1.559 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.340 -2.988 -0.668 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.774 -1.466 -1.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 12.110 -1.357 -0.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.222 -0.286 0.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.771 -1.761 0.861 1.00 0.00 H new ATOM 316 N GLU A 19 8.425 -6.924 -0.484 1.00 0.00 N ATOM 317 CA GLU A 19 8.082 -8.342 -0.486 1.00 0.00 C ATOM 318 C GLU A 19 7.543 -8.775 0.874 1.00 0.00 C ATOM 319 O GLU A 19 8.257 -8.732 1.876 1.00 0.00 O ATOM 320 CB GLU A 19 9.307 -9.182 -0.855 1.00 0.00 C ATOM 321 CG GLU A 19 10.033 -8.686 -2.094 1.00 0.00 C ATOM 322 CD GLU A 19 10.441 -9.815 -3.023 1.00 0.00 C ATOM 323 OE1 GLU A 19 10.525 -10.969 -2.549 1.00 0.00 O ATOM 324 OE2 GLU A 19 10.674 -9.543 -4.219 1.00 0.00 O ATOM 0 H GLU A 19 9.129 -6.661 0.206 1.00 0.00 H new ATOM 0 HA GLU A 19 7.302 -8.501 -1.231 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.001 -9.186 -0.015 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.995 -10.214 -1.016 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.390 -7.991 -2.634 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.921 -8.130 -1.792 1.00 0.00 H new ATOM 331 N LEU A 20 6.282 -9.194 0.901 1.00 0.00 N ATOM 332 CA LEU A 20 5.645 -9.635 2.138 1.00 0.00 C ATOM 333 C LEU A 20 4.802 -10.884 1.896 1.00 0.00 C ATOM 334 O LEU A 20 4.862 -11.485 0.822 1.00 0.00 O ATOM 335 CB LEU A 20 4.781 -8.515 2.720 1.00 0.00 C ATOM 336 CG LEU A 20 5.528 -7.211 3.019 1.00 0.00 C ATOM 337 CD1 LEU A 20 4.710 -6.009 2.569 1.00 0.00 C ATOM 338 CD2 LEU A 20 5.855 -7.111 4.503 1.00 0.00 C ATOM 0 H LEU A 20 5.680 -9.238 0.079 1.00 0.00 H new ATOM 0 HA LEU A 20 6.427 -9.883 2.856 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.972 -8.301 2.022 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.321 -8.872 3.641 1.00 0.00 H new ATOM 0 HG LEU A 20 6.464 -7.216 2.460 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.258 -5.093 2.790 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.529 -6.073 1.496 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.757 -5.999 3.098 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.385 -6.179 4.697 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.931 -7.130 5.081 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.483 -7.953 4.795 1.00 0.00 H new ATOM 350 N VAL A 21 4.021 -11.277 2.898 1.00 0.00 N ATOM 351 CA VAL A 21 3.174 -12.461 2.785 1.00 0.00 C ATOM 352 C VAL A 21 1.692 -12.095 2.787 1.00 0.00 C ATOM 353 O VAL A 21 0.925 -12.577 1.955 1.00 0.00 O ATOM 354 CB VAL A 21 3.450 -13.461 3.924 1.00 0.00 C ATOM 355 CG1 VAL A 21 4.867 -14.004 3.828 1.00 0.00 C ATOM 356 CG2 VAL A 21 3.208 -12.811 5.279 1.00 0.00 C ATOM 0 H VAL A 21 3.957 -10.795 3.795 1.00 0.00 H new ATOM 0 HA VAL A 21 3.421 -12.929 1.832 1.00 0.00 H new ATOM 0 HB VAL A 21 2.759 -14.298 3.822 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.043 -14.708 4.641 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.998 -14.512 2.873 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.578 -13.181 3.901 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.408 -13.534 6.070 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.871 -11.953 5.395 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.171 -12.480 5.344 1.00 0.00 H new ATOM 366 N ASP A 22 1.293 -11.245 3.729 1.00 0.00 N ATOM 367 CA ASP A 22 -0.100 -10.825 3.838 1.00 0.00 C ATOM 368 C ASP A 22 -0.211 -9.304 3.850 1.00 0.00 C ATOM 369 O ASP A 22 0.797 -8.599 3.859 1.00 0.00 O ATOM 370 CB ASP A 22 -0.734 -11.404 5.103 1.00 0.00 C ATOM 371 CG ASP A 22 0.096 -11.132 6.341 1.00 0.00 C ATOM 372 OD1 ASP A 22 0.248 -9.948 6.708 1.00 0.00 O ATOM 373 OD2 ASP A 22 0.598 -12.105 6.945 1.00 0.00 O ATOM 0 H ASP A 22 1.914 -10.834 4.427 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.635 -11.204 2.967 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.729 -10.979 5.235 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.861 -12.480 4.983 1.00 0.00 H new ATOM 378 N ALA A 23 -1.443 -8.802 3.848 1.00 0.00 N ATOM 379 CA ALA A 23 -1.678 -7.365 3.860 1.00 0.00 C ATOM 380 C ALA A 23 -1.566 -6.801 5.268 1.00 0.00 C ATOM 381 O ALA A 23 -1.085 -5.687 5.462 1.00 0.00 O ATOM 382 CB ALA A 23 -3.039 -7.036 3.266 1.00 0.00 C ATOM 0 H ALA A 23 -2.291 -9.369 3.838 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.908 -6.899 3.245 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.193 -5.957 3.285 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.082 -7.390 2.236 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.819 -7.524 3.850 1.00 0.00 H new ATOM 388 N ALA A 24 -2.004 -7.577 6.256 1.00 0.00 N ATOM 389 CA ALA A 24 -1.933 -7.143 7.644 1.00 0.00 C ATOM 390 C ALA A 24 -0.530 -6.642 7.959 1.00 0.00 C ATOM 391 O ALA A 24 -0.346 -5.539 8.480 1.00 0.00 O ATOM 392 CB ALA A 24 -2.321 -8.278 8.581 1.00 0.00 C ATOM 0 H ALA A 24 -2.409 -8.503 6.121 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.639 -6.326 7.794 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.262 -7.934 9.614 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.340 -8.598 8.363 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.639 -9.117 8.438 1.00 0.00 H new ATOM 398 N THR A 25 0.460 -7.456 7.611 1.00 0.00 N ATOM 399 CA THR A 25 1.847 -7.095 7.831 1.00 0.00 C ATOM 400 C THR A 25 2.254 -6.001 6.857 1.00 0.00 C ATOM 401 O THR A 25 2.927 -5.042 7.236 1.00 0.00 O ATOM 402 CB THR A 25 2.753 -8.323 7.676 1.00 0.00 C ATOM 403 OG1 THR A 25 2.781 -9.079 8.872 1.00 0.00 O ATOM 404 CG2 THR A 25 4.189 -7.985 7.316 1.00 0.00 C ATOM 0 H THR A 25 0.324 -8.369 7.176 1.00 0.00 H new ATOM 0 HA THR A 25 1.959 -6.719 8.848 1.00 0.00 H new ATOM 0 HB THR A 25 2.318 -8.890 6.853 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.363 -9.859 8.753 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.767 -8.904 7.224 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.210 -7.447 6.368 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.623 -7.361 8.097 1.00 0.00 H new ATOM 412 N ALA A 26 1.828 -6.134 5.603 1.00 0.00 N ATOM 413 CA ALA A 26 2.141 -5.131 4.596 1.00 0.00 C ATOM 414 C ALA A 26 1.751 -3.761 5.124 1.00 0.00 C ATOM 415 O ALA A 26 2.565 -2.844 5.185 1.00 0.00 O ATOM 416 CB ALA A 26 1.418 -5.433 3.293 1.00 0.00 C ATOM 0 H ALA A 26 1.271 -6.919 5.265 1.00 0.00 H new ATOM 0 HA ALA A 26 3.211 -5.147 4.390 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.666 -4.671 2.554 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.727 -6.411 2.924 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.342 -5.434 3.466 1.00 0.00 H new ATOM 422 N GLU A 27 0.497 -3.656 5.540 1.00 0.00 N ATOM 423 CA GLU A 27 -0.039 -2.432 6.108 1.00 0.00 C ATOM 424 C GLU A 27 0.873 -1.918 7.216 1.00 0.00 C ATOM 425 O GLU A 27 1.040 -0.716 7.388 1.00 0.00 O ATOM 426 CB GLU A 27 -1.431 -2.697 6.677 1.00 0.00 C ATOM 427 CG GLU A 27 -2.519 -2.774 5.619 1.00 0.00 C ATOM 428 CD GLU A 27 -3.898 -2.971 6.213 1.00 0.00 C ATOM 429 OE1 GLU A 27 -4.233 -4.120 6.568 1.00 0.00 O ATOM 430 OE2 GLU A 27 -4.642 -1.974 6.328 1.00 0.00 O ATOM 0 H GLU A 27 -0.177 -4.420 5.492 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.101 -1.679 5.323 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.413 -3.633 7.236 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.681 -1.907 7.385 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.510 -1.859 5.027 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.300 -3.596 4.938 1.00 0.00 H new ATOM 437 N LYS A 28 1.467 -2.847 7.960 1.00 0.00 N ATOM 438 CA LYS A 28 2.367 -2.481 9.044 1.00 0.00 C ATOM 439 C LYS A 28 3.597 -1.779 8.485 1.00 0.00 C ATOM 440 O LYS A 28 3.993 -0.716 8.957 1.00 0.00 O ATOM 441 CB LYS A 28 2.784 -3.724 9.835 1.00 0.00 C ATOM 442 CG LYS A 28 3.381 -3.405 11.196 1.00 0.00 C ATOM 443 CD LYS A 28 4.898 -3.351 11.139 1.00 0.00 C ATOM 444 CE LYS A 28 5.498 -4.732 10.926 1.00 0.00 C ATOM 445 NZ LYS A 28 5.805 -4.988 9.490 1.00 0.00 N ATOM 0 H LYS A 28 1.341 -3.851 7.832 1.00 0.00 H new ATOM 0 HA LYS A 28 1.845 -1.801 9.717 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.915 -4.367 9.970 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.511 -4.289 9.252 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.995 -2.449 11.549 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.069 -4.160 11.917 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.209 -2.689 10.331 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.283 -2.925 12.066 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.410 -4.826 11.515 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.804 -5.490 11.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.990 -5.449 9.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.002 -4.086 9.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.637 -5.607 9.418 1.00 0.00 H new ATOM 459 N TYR A 29 4.187 -2.389 7.464 1.00 0.00 N ATOM 460 CA TYR A 29 5.366 -1.840 6.814 1.00 0.00 C ATOM 461 C TYR A 29 4.985 -0.663 5.919 1.00 0.00 C ATOM 462 O TYR A 29 5.412 0.471 6.139 1.00 0.00 O ATOM 463 CB TYR A 29 6.046 -2.920 5.974 1.00 0.00 C ATOM 464 CG TYR A 29 7.304 -2.445 5.285 1.00 0.00 C ATOM 465 CD1 TYR A 29 7.236 -1.575 4.203 1.00 0.00 C ATOM 466 CD2 TYR A 29 8.558 -2.860 5.712 1.00 0.00 C ATOM 467 CE1 TYR A 29 8.378 -1.135 3.569 1.00 0.00 C ATOM 468 CE2 TYR A 29 9.708 -2.424 5.083 1.00 0.00 C ATOM 469 CZ TYR A 29 9.612 -1.562 4.010 1.00 0.00 C ATOM 470 OH TYR A 29 10.754 -1.124 3.378 1.00 0.00 O ATOM 0 H TYR A 29 3.863 -3.271 7.067 1.00 0.00 H new ATOM 0 HA TYR A 29 6.054 -1.490 7.584 1.00 0.00 H new ATOM 0 HB2 TYR A 29 6.290 -3.767 6.615 1.00 0.00 H new ATOM 0 HB3 TYR A 29 5.344 -3.280 5.222 1.00 0.00 H new ATOM 0 HD1 TYR A 29 6.271 -1.238 3.853 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.636 -3.536 6.551 1.00 0.00 H new ATOM 0 HE1 TYR A 29 8.306 -0.458 2.730 1.00 0.00 H new ATOM 0 HE2 TYR A 29 10.676 -2.756 5.429 1.00 0.00 H new ATOM 0 HH TYR A 29 11.540 -1.517 3.812 1.00 0.00 H new ATOM 480 N PHE A 30 4.183 -0.960 4.905 1.00 0.00 N ATOM 481 CA PHE A 30 3.726 0.037 3.943 1.00 0.00 C ATOM 482 C PHE A 30 3.237 1.315 4.626 1.00 0.00 C ATOM 483 O PHE A 30 3.505 2.419 4.147 1.00 0.00 O ATOM 484 CB PHE A 30 2.613 -0.567 3.072 1.00 0.00 C ATOM 485 CG PHE A 30 3.073 -1.076 1.724 1.00 0.00 C ATOM 486 CD1 PHE A 30 4.376 -0.877 1.278 1.00 0.00 C ATOM 487 CD2 PHE A 30 2.192 -1.762 0.901 1.00 0.00 C ATOM 488 CE1 PHE A 30 4.782 -1.351 0.048 1.00 0.00 C ATOM 489 CE2 PHE A 30 2.595 -2.236 -0.332 1.00 0.00 C ATOM 490 CZ PHE A 30 3.892 -2.029 -0.759 1.00 0.00 C ATOM 0 H PHE A 30 3.830 -1.900 4.725 1.00 0.00 H new ATOM 0 HA PHE A 30 4.574 0.316 3.317 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.149 -1.389 3.617 1.00 0.00 H new ATOM 0 HB3 PHE A 30 1.842 0.187 2.917 1.00 0.00 H new ATOM 0 HD1 PHE A 30 5.078 -0.345 1.903 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.176 -1.928 1.229 1.00 0.00 H new ATOM 0 HE1 PHE A 30 5.797 -1.191 -0.284 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.897 -2.768 -0.961 1.00 0.00 H new ATOM 0 HZ PHE A 30 4.209 -2.397 -1.723 1.00 0.00 H new ATOM 500 N LYS A 31 2.532 1.173 5.741 1.00 0.00 N ATOM 501 CA LYS A 31 2.028 2.335 6.468 1.00 0.00 C ATOM 502 C LYS A 31 3.164 3.071 7.169 1.00 0.00 C ATOM 503 O LYS A 31 3.240 4.298 7.128 1.00 0.00 O ATOM 504 CB LYS A 31 0.969 1.918 7.489 1.00 0.00 C ATOM 505 CG LYS A 31 0.279 3.091 8.165 1.00 0.00 C ATOM 506 CD LYS A 31 -1.058 2.683 8.758 1.00 0.00 C ATOM 507 CE LYS A 31 -2.026 3.855 8.809 1.00 0.00 C ATOM 508 NZ LYS A 31 -3.418 3.439 8.482 1.00 0.00 N ATOM 0 H LYS A 31 2.297 0.273 6.160 1.00 0.00 H new ATOM 0 HA LYS A 31 1.570 3.009 5.743 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.219 1.304 6.991 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.437 1.294 8.251 1.00 0.00 H new ATOM 0 HG2 LYS A 31 0.921 3.488 8.951 1.00 0.00 H new ATOM 0 HG3 LYS A 31 0.128 3.892 7.441 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.490 1.878 8.164 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.907 2.291 9.764 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.004 4.301 9.803 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.702 4.624 8.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.047 4.266 8.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.444 3.037 7.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.736 2.724 9.166 1.00 0.00 H new ATOM 522 N LEU A 32 4.048 2.312 7.810 1.00 0.00 N ATOM 523 CA LEU A 32 5.179 2.895 8.519 1.00 0.00 C ATOM 524 C LEU A 32 6.056 3.717 7.574 1.00 0.00 C ATOM 525 O LEU A 32 6.709 4.672 7.993 1.00 0.00 O ATOM 526 CB LEU A 32 6.014 1.796 9.185 1.00 0.00 C ATOM 527 CG LEU A 32 6.096 1.880 10.710 1.00 0.00 C ATOM 528 CD1 LEU A 32 5.192 0.842 11.350 1.00 0.00 C ATOM 529 CD2 LEU A 32 7.533 1.700 11.179 1.00 0.00 C ATOM 0 H LEU A 32 4.002 1.294 7.852 1.00 0.00 H new ATOM 0 HA LEU A 32 4.787 3.560 9.288 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.596 0.827 8.912 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.025 1.833 8.779 1.00 0.00 H new ATOM 0 HG LEU A 32 5.756 2.869 11.018 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.263 0.917 12.435 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.161 1.017 11.041 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.501 -0.154 11.034 1.00 0.00 H new ATOM 0 HD21 LEU A 32 7.571 1.763 12.267 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.901 0.725 10.859 1.00 0.00 H new ATOM 0 HD23 LEU A 32 8.157 2.483 10.748 1.00 0.00 H new ATOM 541 N TYR A 33 6.062 3.339 6.299 1.00 0.00 N ATOM 542 CA TYR A 33 6.853 4.039 5.299 1.00 0.00 C ATOM 543 C TYR A 33 6.181 5.348 4.894 1.00 0.00 C ATOM 544 O TYR A 33 6.783 6.417 4.970 1.00 0.00 O ATOM 545 CB TYR A 33 7.050 3.145 4.071 1.00 0.00 C ATOM 546 CG TYR A 33 7.645 3.863 2.880 1.00 0.00 C ATOM 547 CD1 TYR A 33 6.841 4.597 2.019 1.00 0.00 C ATOM 548 CD2 TYR A 33 9.007 3.808 2.625 1.00 0.00 C ATOM 549 CE1 TYR A 33 7.381 5.256 0.931 1.00 0.00 C ATOM 550 CE2 TYR A 33 9.556 4.464 1.540 1.00 0.00 C ATOM 551 CZ TYR A 33 8.738 5.187 0.696 1.00 0.00 C ATOM 552 OH TYR A 33 9.279 5.843 -0.386 1.00 0.00 O ATOM 0 H TYR A 33 5.526 2.550 5.936 1.00 0.00 H new ATOM 0 HA TYR A 33 7.826 4.275 5.731 1.00 0.00 H new ATOM 0 HB2 TYR A 33 7.698 2.311 4.341 1.00 0.00 H new ATOM 0 HB3 TYR A 33 6.088 2.721 3.784 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.778 4.654 2.202 1.00 0.00 H new ATOM 0 HD2 TYR A 33 9.649 3.243 3.285 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.743 5.822 0.268 1.00 0.00 H new ATOM 0 HE2 TYR A 33 10.618 4.411 1.354 1.00 0.00 H new ATOM 0 HH TYR A 33 10.247 5.694 -0.408 1.00 0.00 H new ATOM 562 N ALA A 34 4.930 5.251 4.457 1.00 0.00 N ATOM 563 CA ALA A 34 4.176 6.421 4.034 1.00 0.00 C ATOM 564 C ALA A 34 3.920 7.375 5.196 1.00 0.00 C ATOM 565 O ALA A 34 3.674 8.563 4.988 1.00 0.00 O ATOM 566 CB ALA A 34 2.862 5.995 3.398 1.00 0.00 C ATOM 0 H ALA A 34 4.418 4.372 4.387 1.00 0.00 H new ATOM 0 HA ALA A 34 4.774 6.955 3.295 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.306 6.879 3.085 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.064 5.368 2.530 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.273 5.433 4.122 1.00 0.00 H new ATOM 572 N ASN A 35 3.978 6.857 6.417 1.00 0.00 N ATOM 573 CA ASN A 35 3.750 7.673 7.601 1.00 0.00 C ATOM 574 C ASN A 35 5.002 8.462 7.973 1.00 0.00 C ATOM 575 O ASN A 35 4.918 9.616 8.397 1.00 0.00 O ATOM 576 CB ASN A 35 3.321 6.796 8.778 1.00 0.00 C ATOM 577 CG ASN A 35 2.584 7.583 9.846 1.00 0.00 C ATOM 578 OD1 ASN A 35 1.361 7.505 9.959 1.00 0.00 O ATOM 579 ND2 ASN A 35 3.328 8.348 10.637 1.00 0.00 N ATOM 0 H ASN A 35 4.181 5.877 6.612 1.00 0.00 H new ATOM 0 HA ASN A 35 2.952 8.380 7.372 1.00 0.00 H new ATOM 0 HB2 ASN A 35 2.680 5.993 8.415 1.00 0.00 H new ATOM 0 HB3 ASN A 35 4.201 6.327 9.218 1.00 0.00 H new ATOM 0 HD21 ASN A 35 2.888 8.900 11.373 1.00 0.00 H new ATOM 0 HD22 ASN A 35 4.339 8.383 10.508 1.00 0.00 H new ATOM 586 N ALA A 36 6.165 7.834 7.814 1.00 0.00 N ATOM 587 CA ALA A 36 7.432 8.479 8.137 1.00 0.00 C ATOM 588 C ALA A 36 8.037 9.168 6.917 1.00 0.00 C ATOM 589 O ALA A 36 8.198 10.388 6.896 1.00 0.00 O ATOM 590 CB ALA A 36 8.408 7.463 8.707 1.00 0.00 C ATOM 0 H ALA A 36 6.254 6.880 7.464 1.00 0.00 H new ATOM 0 HA ALA A 36 7.235 9.245 8.887 1.00 0.00 H new ATOM 0 HB1 ALA A 36 9.350 7.957 8.944 1.00 0.00 H new ATOM 0 HB2 ALA A 36 7.990 7.025 9.613 1.00 0.00 H new ATOM 0 HB3 ALA A 36 8.585 6.677 7.973 1.00 0.00 H new ATOM 596 N LYS A 37 8.384 8.377 5.906 1.00 0.00 N ATOM 597 CA LYS A 37 8.981 8.906 4.686 1.00 0.00 C ATOM 598 C LYS A 37 8.060 9.913 4.003 1.00 0.00 C ATOM 599 O LYS A 37 8.522 10.865 3.378 1.00 0.00 O ATOM 600 CB LYS A 37 9.318 7.767 3.720 1.00 0.00 C ATOM 601 CG LYS A 37 10.785 7.372 3.732 1.00 0.00 C ATOM 602 CD LYS A 37 11.061 6.276 4.750 1.00 0.00 C ATOM 603 CE LYS A 37 12.048 5.251 4.212 1.00 0.00 C ATOM 604 NZ LYS A 37 13.454 5.738 4.288 1.00 0.00 N ATOM 0 H LYS A 37 8.261 7.364 5.909 1.00 0.00 H new ATOM 0 HA LYS A 37 9.899 9.423 4.966 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.714 6.896 3.974 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.039 8.065 2.709 1.00 0.00 H new ATOM 0 HG2 LYS A 37 11.078 7.030 2.740 1.00 0.00 H new ATOM 0 HG3 LYS A 37 11.396 8.245 3.962 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.456 6.718 5.664 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.127 5.780 5.014 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.954 4.325 4.779 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.800 5.018 3.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 14.094 5.010 3.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 13.551 6.608 3.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 13.700 5.936 5.279 1.00 0.00 H new ATOM 618 N THR A 38 6.753 9.693 4.119 1.00 0.00 N ATOM 619 CA THR A 38 5.774 10.582 3.504 1.00 0.00 C ATOM 620 C THR A 38 4.720 11.024 4.524 1.00 0.00 C ATOM 621 O THR A 38 4.979 11.027 5.728 1.00 0.00 O ATOM 622 CB THR A 38 5.112 9.884 2.311 1.00 0.00 C ATOM 623 OG1 THR A 38 5.944 8.855 1.807 1.00 0.00 O ATOM 624 CG2 THR A 38 4.802 10.824 1.166 1.00 0.00 C ATOM 0 H THR A 38 6.349 8.909 4.632 1.00 0.00 H new ATOM 0 HA THR A 38 6.290 11.474 3.149 1.00 0.00 H new ATOM 0 HB THR A 38 4.175 9.482 2.695 1.00 0.00 H new ATOM 0 HG1 THR A 38 6.509 9.213 1.091 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.335 10.267 0.354 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.122 11.604 1.509 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.726 11.280 0.809 1.00 0.00 H new ATOM 632 N VAL A 39 3.531 11.392 4.044 1.00 0.00 N ATOM 633 CA VAL A 39 2.456 11.830 4.923 1.00 0.00 C ATOM 634 C VAL A 39 1.214 10.964 4.742 1.00 0.00 C ATOM 635 O VAL A 39 1.185 10.066 3.898 1.00 0.00 O ATOM 636 CB VAL A 39 2.082 13.302 4.667 1.00 0.00 C ATOM 637 CG1 VAL A 39 3.257 14.213 4.994 1.00 0.00 C ATOM 638 CG2 VAL A 39 1.627 13.500 3.228 1.00 0.00 C ATOM 0 H VAL A 39 3.292 11.394 3.052 1.00 0.00 H new ATOM 0 HA VAL A 39 2.823 11.730 5.945 1.00 0.00 H new ATOM 0 HB VAL A 39 1.251 13.566 5.322 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.976 15.250 4.808 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.529 14.094 6.043 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.108 13.949 4.366 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.368 14.547 3.069 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.433 13.219 2.550 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.754 12.876 3.033 1.00 0.00 H new ATOM 648 N GLU A 40 0.190 11.235 5.541 1.00 0.00 N ATOM 649 CA GLU A 40 -1.056 10.480 5.474 1.00 0.00 C ATOM 650 C GLU A 40 -2.090 11.207 4.620 1.00 0.00 C ATOM 651 O GLU A 40 -2.617 12.247 5.013 1.00 0.00 O ATOM 652 CB GLU A 40 -1.613 10.251 6.880 1.00 0.00 C ATOM 653 CG GLU A 40 -1.879 11.537 7.647 1.00 0.00 C ATOM 654 CD GLU A 40 -1.211 11.544 9.009 1.00 0.00 C ATOM 655 OE1 GLU A 40 -0.007 11.249 9.088 1.00 0.00 O ATOM 656 OE2 GLU A 40 -1.909 11.865 10.003 1.00 0.00 O ATOM 0 H GLU A 40 0.197 11.973 6.245 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.842 9.516 5.012 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.541 9.683 6.806 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.909 9.640 7.445 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.520 12.386 7.065 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.954 11.667 7.771 1.00 0.00 H new ATOM 663 N GLY A 41 -2.377 10.648 3.446 1.00 0.00 N ATOM 664 CA GLY A 41 -3.343 11.246 2.552 1.00 0.00 C ATOM 665 C GLY A 41 -4.438 10.277 2.152 1.00 0.00 C ATOM 666 O GLY A 41 -4.816 9.407 2.935 1.00 0.00 O ATOM 0 H GLY A 41 -1.953 9.787 3.101 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.790 12.116 3.033 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.833 11.603 1.657 1.00 0.00 H new ATOM 670 N VAL A 42 -4.945 10.421 0.932 1.00 0.00 N ATOM 671 CA VAL A 42 -5.995 9.539 0.438 1.00 0.00 C ATOM 672 C VAL A 42 -5.451 8.154 0.161 1.00 0.00 C ATOM 673 O VAL A 42 -4.736 7.930 -0.814 1.00 0.00 O ATOM 674 CB VAL A 42 -6.655 10.095 -0.837 1.00 0.00 C ATOM 675 CG1 VAL A 42 -7.868 9.261 -1.216 1.00 0.00 C ATOM 676 CG2 VAL A 42 -7.035 11.555 -0.651 1.00 0.00 C ATOM 0 H VAL A 42 -4.647 11.137 0.270 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.752 9.479 1.220 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.934 10.036 -1.653 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -8.322 9.668 -2.119 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.559 8.232 -1.398 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -8.594 9.284 -0.403 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.500 11.929 -1.563 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -7.737 11.645 0.178 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.141 12.139 -0.434 1.00 0.00 H new ATOM 686 N TRP A 43 -5.797 7.230 1.043 1.00 0.00 N ATOM 687 CA TRP A 43 -5.357 5.851 0.942 1.00 0.00 C ATOM 688 C TRP A 43 -6.173 5.075 -0.089 1.00 0.00 C ATOM 689 O TRP A 43 -7.338 5.387 -0.335 1.00 0.00 O ATOM 690 CB TRP A 43 -5.479 5.193 2.310 1.00 0.00 C ATOM 691 CG TRP A 43 -4.275 5.396 3.178 1.00 0.00 C ATOM 692 CD1 TRP A 43 -3.950 6.527 3.872 1.00 0.00 C ATOM 693 CD2 TRP A 43 -3.236 4.449 3.443 1.00 0.00 C ATOM 694 NE1 TRP A 43 -2.771 6.339 4.552 1.00 0.00 N ATOM 695 CE2 TRP A 43 -2.316 5.070 4.304 1.00 0.00 C ATOM 696 CE3 TRP A 43 -2.998 3.134 3.032 1.00 0.00 C ATOM 697 CZ2 TRP A 43 -1.171 4.421 4.763 1.00 0.00 C ATOM 698 CZ3 TRP A 43 -1.863 2.490 3.491 1.00 0.00 C ATOM 699 CH2 TRP A 43 -0.964 3.135 4.349 1.00 0.00 C ATOM 0 H TRP A 43 -6.392 7.417 1.850 1.00 0.00 H new ATOM 0 HA TRP A 43 -4.319 5.840 0.611 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -6.356 5.592 2.820 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -5.646 4.124 2.177 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.534 7.435 3.884 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -2.310 7.030 5.144 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.687 2.631 2.369 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -0.473 4.916 5.422 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -1.667 1.474 3.183 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -0.088 2.605 4.691 1.00 0.00 H new ATOM 710 N THR A 44 -5.549 4.065 -0.679 1.00 0.00 N ATOM 711 CA THR A 44 -6.205 3.231 -1.680 1.00 0.00 C ATOM 712 C THR A 44 -5.531 1.866 -1.761 1.00 0.00 C ATOM 713 O THR A 44 -4.316 1.756 -1.597 1.00 0.00 O ATOM 714 CB THR A 44 -6.172 3.916 -3.048 1.00 0.00 C ATOM 715 OG1 THR A 44 -6.008 5.315 -2.906 1.00 0.00 O ATOM 716 CG2 THR A 44 -7.423 3.681 -3.866 1.00 0.00 C ATOM 0 H THR A 44 -4.584 3.801 -0.481 1.00 0.00 H new ATOM 0 HA THR A 44 -7.244 3.090 -1.383 1.00 0.00 H new ATOM 0 HB THR A 44 -5.326 3.471 -3.572 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.095 5.509 -2.608 1.00 0.00 H new ATOM 0 HG21 THR A 44 -7.333 4.194 -4.823 1.00 0.00 H new ATOM 0 HG22 THR A 44 -7.550 2.612 -4.038 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.288 4.067 -3.327 1.00 0.00 H new ATOM 724 N TYR A 45 -6.321 0.827 -2.011 1.00 0.00 N ATOM 725 CA TYR A 45 -5.786 -0.526 -2.106 1.00 0.00 C ATOM 726 C TYR A 45 -6.297 -1.241 -3.354 1.00 0.00 C ATOM 727 O TYR A 45 -7.357 -0.906 -3.883 1.00 0.00 O ATOM 728 CB TYR A 45 -6.156 -1.330 -0.859 1.00 0.00 C ATOM 729 CG TYR A 45 -5.557 -2.719 -0.837 1.00 0.00 C ATOM 730 CD1 TYR A 45 -4.183 -2.903 -0.909 1.00 0.00 C ATOM 731 CD2 TYR A 45 -6.366 -3.845 -0.748 1.00 0.00 C ATOM 732 CE1 TYR A 45 -3.631 -4.168 -0.893 1.00 0.00 C ATOM 733 CE2 TYR A 45 -5.820 -5.116 -0.731 1.00 0.00 C ATOM 734 CZ TYR A 45 -4.452 -5.272 -0.803 1.00 0.00 C ATOM 735 OH TYR A 45 -3.906 -6.534 -0.787 1.00 0.00 O ATOM 0 H TYR A 45 -7.329 0.895 -2.151 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.701 -0.450 -2.178 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.825 -0.786 0.026 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.241 -1.410 -0.797 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.535 -2.042 -0.979 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.438 -3.726 -0.691 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -2.560 -4.293 -0.951 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.462 -5.982 -0.662 1.00 0.00 H new ATOM 0 HH TYR A 45 -3.229 -6.589 -0.080 1.00 0.00 H new ATOM 745 N LYS A 46 -5.534 -2.227 -3.808 1.00 0.00 N ATOM 746 CA LYS A 46 -5.901 -3.000 -4.990 1.00 0.00 C ATOM 747 C LYS A 46 -5.899 -4.493 -4.674 1.00 0.00 C ATOM 748 O LYS A 46 -4.890 -5.042 -4.236 1.00 0.00 O ATOM 749 CB LYS A 46 -4.935 -2.708 -6.138 1.00 0.00 C ATOM 750 CG LYS A 46 -4.982 -1.268 -6.622 1.00 0.00 C ATOM 751 CD LYS A 46 -5.514 -1.171 -8.036 1.00 0.00 C ATOM 752 CE LYS A 46 -5.021 0.086 -8.738 1.00 0.00 C ATOM 753 NZ LYS A 46 -6.056 1.155 -8.751 1.00 0.00 N ATOM 0 H LYS A 46 -4.655 -2.512 -3.375 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.907 -2.707 -5.292 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.920 -2.941 -5.816 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -5.165 -3.371 -6.972 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.612 -0.680 -5.955 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.982 -0.836 -6.579 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.204 -2.049 -8.602 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.604 -1.173 -8.016 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.125 0.454 -8.238 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.737 -0.157 -9.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.682 1.994 -9.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.902 0.813 -9.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.309 1.405 -7.774 1.00 0.00 H new ATOM 767 N ASP A 47 -7.040 -5.140 -4.898 1.00 0.00 N ATOM 768 CA ASP A 47 -7.172 -6.569 -4.634 1.00 0.00 C ATOM 769 C ASP A 47 -6.921 -7.386 -5.891 1.00 0.00 C ATOM 770 O ASP A 47 -7.552 -8.423 -6.107 1.00 0.00 O ATOM 771 CB ASP A 47 -8.562 -6.880 -4.079 1.00 0.00 C ATOM 772 CG ASP A 47 -8.654 -6.645 -2.584 1.00 0.00 C ATOM 773 OD1 ASP A 47 -7.941 -7.340 -1.830 1.00 0.00 O ATOM 774 OD2 ASP A 47 -9.437 -5.765 -2.166 1.00 0.00 O ATOM 0 H ASP A 47 -7.885 -4.698 -5.261 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.421 -6.843 -3.893 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -9.300 -6.260 -4.587 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -8.813 -7.918 -4.297 1.00 0.00 H new ATOM 779 N GLU A 48 -5.998 -6.919 -6.728 1.00 0.00 N ATOM 780 CA GLU A 48 -5.663 -7.611 -7.965 1.00 0.00 C ATOM 781 C GLU A 48 -4.281 -8.247 -7.876 1.00 0.00 C ATOM 782 O GLU A 48 -4.023 -9.297 -8.458 1.00 0.00 O ATOM 783 CB GLU A 48 -5.717 -6.642 -9.144 1.00 0.00 C ATOM 784 CG GLU A 48 -7.095 -6.052 -9.388 1.00 0.00 C ATOM 785 CD GLU A 48 -7.064 -4.877 -10.346 1.00 0.00 C ATOM 786 OE1 GLU A 48 -6.014 -4.215 -10.446 1.00 0.00 O ATOM 787 OE2 GLU A 48 -8.097 -4.624 -11.008 1.00 0.00 O ATOM 0 H GLU A 48 -5.469 -6.062 -6.569 1.00 0.00 H new ATOM 0 HA GLU A 48 -6.396 -8.402 -8.120 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.010 -5.831 -8.969 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.389 -7.161 -10.045 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -7.752 -6.825 -9.788 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -7.522 -5.731 -8.438 1.00 0.00 H new ATOM 794 N THR A 49 -3.391 -7.600 -7.122 1.00 0.00 N ATOM 795 CA THR A 49 -2.032 -8.097 -6.949 1.00 0.00 C ATOM 796 C THR A 49 -1.394 -7.495 -5.703 1.00 0.00 C ATOM 797 O THR A 49 -0.175 -7.328 -5.638 1.00 0.00 O ATOM 798 CB THR A 49 -1.184 -7.769 -8.177 1.00 0.00 C ATOM 799 OG1 THR A 49 -1.317 -6.403 -8.525 1.00 0.00 O ATOM 800 CG2 THR A 49 -1.545 -8.591 -9.388 1.00 0.00 C ATOM 0 H THR A 49 -3.590 -6.733 -6.624 1.00 0.00 H new ATOM 0 HA THR A 49 -2.079 -9.179 -6.830 1.00 0.00 H new ATOM 0 HB THR A 49 -0.158 -8.005 -7.894 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.020 -5.844 -7.777 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.905 -8.308 -10.224 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.404 -9.649 -9.165 1.00 0.00 H new ATOM 0 HG23 THR A 49 -2.587 -8.412 -9.652 1.00 0.00 H new ATOM 808 N LYS A 50 -2.221 -7.170 -4.714 1.00 0.00 N ATOM 809 CA LYS A 50 -1.734 -6.585 -3.469 1.00 0.00 C ATOM 810 C LYS A 50 -1.002 -5.272 -3.739 1.00 0.00 C ATOM 811 O LYS A 50 0.229 -5.217 -3.699 1.00 0.00 O ATOM 812 CB LYS A 50 -0.806 -7.564 -2.750 1.00 0.00 C ATOM 813 CG LYS A 50 -1.543 -8.607 -1.924 1.00 0.00 C ATOM 814 CD LYS A 50 -1.944 -9.804 -2.771 1.00 0.00 C ATOM 815 CE LYS A 50 -2.470 -10.946 -1.913 1.00 0.00 C ATOM 816 NZ LYS A 50 -3.901 -11.241 -2.199 1.00 0.00 N ATOM 0 H LYS A 50 -3.232 -7.302 -4.750 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.593 -6.378 -2.831 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.184 -8.070 -3.488 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.135 -7.004 -2.098 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.908 -8.937 -1.102 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.432 -8.160 -1.480 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.709 -9.504 -3.487 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.085 -10.147 -3.347 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.872 -11.840 -2.092 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.355 -10.691 -0.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.221 -12.024 -1.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.475 -10.396 -2.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -4.007 -11.509 -3.198 1.00 0.00 H new ATOM 830 N THR A 51 -1.765 -4.219 -4.015 1.00 0.00 N ATOM 831 CA THR A 51 -1.181 -2.913 -4.294 1.00 0.00 C ATOM 832 C THR A 51 -1.785 -1.831 -3.404 1.00 0.00 C ATOM 833 O THR A 51 -2.985 -1.830 -3.130 1.00 0.00 O ATOM 834 CB THR A 51 -1.380 -2.546 -5.767 1.00 0.00 C ATOM 835 OG1 THR A 51 -1.626 -3.705 -6.545 1.00 0.00 O ATOM 836 CG2 THR A 51 -0.190 -1.830 -6.372 1.00 0.00 C ATOM 0 H THR A 51 -2.784 -4.244 -4.051 1.00 0.00 H new ATOM 0 HA THR A 51 -0.114 -2.974 -4.078 1.00 0.00 H new ATOM 0 HB THR A 51 -2.236 -1.871 -5.783 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.752 -3.449 -7.483 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.397 -1.599 -7.417 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.006 -0.905 -5.826 1.00 0.00 H new ATOM 0 HG23 THR A 51 0.690 -2.470 -6.309 1.00 0.00 H new ATOM 844 N PHE A 52 -0.936 -0.909 -2.962 1.00 0.00 N ATOM 845 CA PHE A 52 -1.364 0.192 -2.104 1.00 0.00 C ATOM 846 C PHE A 52 -1.080 1.534 -2.775 1.00 0.00 C ATOM 847 O PHE A 52 -0.082 1.685 -3.479 1.00 0.00 O ATOM 848 CB PHE A 52 -0.647 0.124 -0.756 1.00 0.00 C ATOM 849 CG PHE A 52 -1.374 -0.688 0.278 1.00 0.00 C ATOM 850 CD1 PHE A 52 -1.322 -2.073 0.250 1.00 0.00 C ATOM 851 CD2 PHE A 52 -2.102 -0.068 1.280 1.00 0.00 C ATOM 852 CE1 PHE A 52 -1.986 -2.823 1.203 1.00 0.00 C ATOM 853 CE2 PHE A 52 -2.769 -0.812 2.234 1.00 0.00 C ATOM 854 CZ PHE A 52 -2.712 -2.192 2.196 1.00 0.00 C ATOM 0 H PHE A 52 0.059 -0.902 -3.185 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.438 0.101 -1.940 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.346 -0.300 -0.904 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.508 1.137 -0.377 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.757 -2.571 -0.524 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.149 1.010 1.316 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.938 -3.901 1.172 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.334 -0.315 3.009 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.233 -2.776 2.940 1.00 0.00 H new ATOM 864 N THR A 53 -1.959 2.507 -2.553 1.00 0.00 N ATOM 865 CA THR A 53 -1.792 3.832 -3.140 1.00 0.00 C ATOM 866 C THR A 53 -2.259 4.922 -2.177 1.00 0.00 C ATOM 867 O THR A 53 -3.414 4.935 -1.759 1.00 0.00 O ATOM 868 CB THR A 53 -2.563 3.931 -4.456 1.00 0.00 C ATOM 869 OG1 THR A 53 -2.611 2.675 -5.106 1.00 0.00 O ATOM 870 CG2 THR A 53 -1.970 4.930 -5.424 1.00 0.00 C ATOM 0 H THR A 53 -2.791 2.403 -1.973 1.00 0.00 H new ATOM 0 HA THR A 53 -0.730 3.981 -3.337 1.00 0.00 H new ATOM 0 HB THR A 53 -3.562 4.269 -4.180 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.110 2.760 -5.945 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.566 4.950 -6.337 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.969 5.921 -4.969 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.947 4.640 -5.665 1.00 0.00 H new ATOM 878 N VAL A 54 -1.353 5.831 -1.832 1.00 0.00 N ATOM 879 CA VAL A 54 -1.680 6.923 -0.921 1.00 0.00 C ATOM 880 C VAL A 54 -1.064 8.237 -1.396 1.00 0.00 C ATOM 881 O VAL A 54 0.140 8.322 -1.626 1.00 0.00 O ATOM 882 CB VAL A 54 -1.196 6.626 0.511 1.00 0.00 C ATOM 883 CG1 VAL A 54 0.313 6.452 0.544 1.00 0.00 C ATOM 884 CG2 VAL A 54 -1.639 7.724 1.470 1.00 0.00 C ATOM 0 H VAL A 54 -0.390 5.834 -2.168 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.766 7.016 -0.914 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.651 5.691 0.837 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.633 6.243 1.565 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.598 5.622 -0.103 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.792 7.366 0.193 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.286 7.493 2.475 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.221 8.678 1.149 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.727 7.787 1.473 1.00 0.00 H new ATOM 894 N THR A 55 -1.895 9.263 -1.538 1.00 0.00 N ATOM 895 CA THR A 55 -1.420 10.565 -1.985 1.00 0.00 C ATOM 896 C THR A 55 -2.033 11.687 -1.152 1.00 0.00 C ATOM 897 O THR A 55 -3.089 11.513 -0.550 1.00 0.00 O ATOM 898 CB THR A 55 -1.745 10.773 -3.464 1.00 0.00 C ATOM 899 OG1 THR A 55 -1.669 12.143 -3.810 1.00 0.00 O ATOM 900 CG2 THR A 55 -3.119 10.280 -3.839 1.00 0.00 C ATOM 0 H THR A 55 -2.897 9.218 -1.351 1.00 0.00 H new ATOM 0 HA THR A 55 -0.338 10.591 -1.853 1.00 0.00 H new ATOM 0 HB THR A 55 -1.002 10.192 -4.010 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.748 12.367 -4.057 1.00 0.00 H new ATOM 0 HG21 THR A 55 -3.291 10.455 -4.901 1.00 0.00 H new ATOM 0 HG22 THR A 55 -3.192 9.213 -3.631 1.00 0.00 H new ATOM 0 HG23 THR A 55 -3.869 10.815 -3.257 1.00 0.00 H new ATOM 908 N GLU A 56 -1.358 12.829 -1.125 1.00 0.00 N ATOM 909 CA GLU A 56 -1.840 13.983 -0.369 1.00 0.00 C ATOM 910 C GLU A 56 -3.076 14.580 -1.023 1.00 0.00 C ATOM 911 O GLU A 56 -2.935 15.211 -2.094 1.00 0.00 O ATOM 912 CB GLU A 56 -0.743 15.042 -0.260 1.00 0.00 C ATOM 913 CG GLU A 56 -1.140 16.241 0.585 1.00 0.00 C ATOM 914 CD GLU A 56 -1.133 15.939 2.070 1.00 0.00 C ATOM 915 OE1 GLU A 56 -1.570 14.829 2.451 1.00 0.00 O ATOM 916 OE2 GLU A 56 -0.683 16.802 2.849 1.00 0.00 O ATOM 917 OXT GLU A 56 -4.177 14.414 -0.462 1.00 0.00 O ATOM 0 H GLU A 56 -0.477 12.983 -1.616 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.108 13.645 0.632 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.150 14.586 0.167 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.479 15.384 -1.261 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.456 17.065 0.383 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.135 16.574 0.291 1.00 0.00 H new TER 924 GLU A 56