USER MOD reduce.3.24.130724 H: found=0, std=0, add=254, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 255 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 ASN : amide:sc= -0.143 K(o=-0.091,f=1) USER MOD Set 1.2: A 7 SER OG : rot -150:sc= 0.0516 USER MOD Single : A 2 HIS : no HD1:sc= -0.464 X(o=-0.46,f=-0.31) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.0679 K(o=-0.068,f=-0.8) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.552 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -9.17! K(o=-9.2!,f=-1.4) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 149:sc= -1.01 (180deg=-4.38!) USER MOD Single : A 36 LYS NZ :NH3+ -140:sc= -2.01 (180deg=-3.73!) USER MOD ----------------------------------------------------------------- ATOM 15 N HIS A 2 6.437 -6.795 -0.658 1.00 0.00 N ATOM 16 CA HIS A 2 5.113 -6.360 -1.090 1.00 0.00 C ATOM 17 C HIS A 2 4.015 -7.125 -0.353 1.00 0.00 C ATOM 18 O HIS A 2 3.764 -8.298 -0.634 1.00 0.00 O ATOM 19 CB HIS A 2 4.965 -6.542 -2.605 1.00 0.00 C ATOM 20 CG HIS A 2 3.543 -6.563 -3.080 1.00 0.00 C ATOM 21 ND1 HIS A 2 2.874 -7.728 -3.389 1.00 0.00 N ATOM 22 CD2 HIS A 2 2.662 -5.556 -3.296 1.00 0.00 C ATOM 23 CE1 HIS A 2 1.644 -7.439 -3.775 1.00 0.00 C ATOM 24 NE2 HIS A 2 1.490 -6.129 -3.726 1.00 0.00 N ATOM 0 HA HIS A 2 5.007 -5.302 -0.848 1.00 0.00 H new ATOM 0 HB2 HIS A 2 5.495 -5.735 -3.111 1.00 0.00 H new ATOM 0 HB3 HIS A 2 5.449 -7.474 -2.898 1.00 0.00 H new ATOM 0 HD2 HIS A 2 2.847 -4.501 -3.156 1.00 0.00 H new ATOM 0 HE1 HIS A 2 0.893 -8.153 -4.079 1.00 0.00 H new ATOM 0 HE2 HIS A 2 0.638 -5.624 -3.968 1.00 0.00 H new ATOM 33 N TYR A 3 3.360 -6.452 0.587 1.00 0.00 N ATOM 34 CA TYR A 3 2.287 -7.061 1.361 1.00 0.00 C ATOM 35 C TYR A 3 1.102 -7.407 0.466 1.00 0.00 C ATOM 36 O TYR A 3 1.046 -6.995 -0.693 1.00 0.00 O ATOM 37 CB TYR A 3 1.837 -6.111 2.469 1.00 0.00 C ATOM 38 CG TYR A 3 1.286 -6.816 3.685 1.00 0.00 C ATOM 39 CD1 TYR A 3 2.133 -7.299 4.673 1.00 0.00 C ATOM 40 CD2 TYR A 3 -0.081 -6.996 3.846 1.00 0.00 C ATOM 41 CE1 TYR A 3 1.634 -7.945 5.787 1.00 0.00 C ATOM 42 CE2 TYR A 3 -0.589 -7.639 4.956 1.00 0.00 C ATOM 43 CZ TYR A 3 0.272 -8.112 5.925 1.00 0.00 C ATOM 44 OH TYR A 3 -0.230 -8.754 7.034 1.00 0.00 O ATOM 0 H TYR A 3 3.555 -5.481 0.831 1.00 0.00 H new ATOM 0 HA TYR A 3 2.666 -7.981 1.806 1.00 0.00 H new ATOM 0 HB2 TYR A 3 2.682 -5.492 2.770 1.00 0.00 H new ATOM 0 HB3 TYR A 3 1.075 -5.439 2.073 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.200 -7.167 4.569 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -0.758 -6.627 3.090 1.00 0.00 H new ATOM 0 HE1 TYR A 3 2.306 -8.317 6.546 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -1.655 -7.771 5.066 1.00 0.00 H new ATOM 0 HH TYR A 3 -1.208 -8.788 6.978 1.00 0.00 H new ATOM 54 N ASN A 4 0.153 -8.161 1.013 1.00 0.00 N ATOM 55 CA ASN A 4 -1.032 -8.556 0.268 1.00 0.00 C ATOM 56 C ASN A 4 -1.992 -7.383 0.131 1.00 0.00 C ATOM 57 O ASN A 4 -2.955 -7.256 0.887 1.00 0.00 O ATOM 58 CB ASN A 4 -1.722 -9.730 0.961 1.00 0.00 C ATOM 59 CG ASN A 4 -1.486 -11.044 0.244 1.00 0.00 C ATOM 60 OD1 ASN A 4 -0.493 -11.729 0.490 1.00 0.00 O ATOM 61 ND2 ASN A 4 -2.400 -11.404 -0.650 1.00 0.00 N ATOM 0 H ASN A 4 0.184 -8.510 1.971 1.00 0.00 H new ATOM 0 HA ASN A 4 -0.727 -8.868 -0.731 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -1.359 -9.808 1.986 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -2.793 -9.537 1.017 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -2.294 -12.279 -1.164 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -3.208 -10.806 -0.823 1.00 0.00 H new ATOM 68 N CYS A 5 -1.708 -6.524 -0.837 1.00 0.00 N ATOM 69 CA CYS A 5 -2.523 -5.348 -1.088 1.00 0.00 C ATOM 70 C CYS A 5 -3.262 -5.466 -2.417 1.00 0.00 C ATOM 71 O CYS A 5 -4.492 -5.515 -2.453 1.00 0.00 O ATOM 72 CB CYS A 5 -1.639 -4.105 -1.091 1.00 0.00 C ATOM 73 SG CYS A 5 -0.154 -4.252 -0.047 1.00 0.00 S ATOM 0 H CYS A 5 -0.911 -6.623 -1.466 1.00 0.00 H new ATOM 0 HA CYS A 5 -3.266 -5.266 -0.295 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -1.332 -3.892 -2.115 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -2.227 -3.252 -0.751 1.00 0.00 H new ATOM 78 N VAL A 6 -2.498 -5.512 -3.506 1.00 0.00 N ATOM 79 CA VAL A 6 -3.065 -5.628 -4.846 1.00 0.00 C ATOM 80 C VAL A 6 -4.001 -6.831 -4.951 1.00 0.00 C ATOM 81 O VAL A 6 -4.776 -6.946 -5.902 1.00 0.00 O ATOM 82 CB VAL A 6 -1.956 -5.745 -5.913 1.00 0.00 C ATOM 83 CG1 VAL A 6 -1.268 -7.100 -5.832 1.00 0.00 C ATOM 84 CG2 VAL A 6 -2.524 -5.509 -7.304 1.00 0.00 C ATOM 0 H VAL A 6 -1.479 -5.470 -3.485 1.00 0.00 H new ATOM 0 HA VAL A 6 -3.638 -4.719 -5.029 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.210 -4.976 -5.715 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.490 -7.159 -6.593 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.820 -7.222 -4.846 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.000 -7.890 -5.999 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.727 -5.596 -8.042 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.294 -6.251 -7.513 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.959 -4.511 -7.355 1.00 0.00 H new ATOM 94 N SER A 7 -3.913 -7.724 -3.968 1.00 0.00 N ATOM 95 CA SER A 7 -4.739 -8.929 -3.931 1.00 0.00 C ATOM 96 C SER A 7 -6.198 -8.621 -4.264 1.00 0.00 C ATOM 97 O SER A 7 -6.785 -9.244 -5.149 1.00 0.00 O ATOM 98 CB SER A 7 -4.650 -9.583 -2.551 1.00 0.00 C ATOM 99 OG SER A 7 -4.520 -10.990 -2.661 1.00 0.00 O ATOM 0 H SER A 7 -3.272 -7.634 -3.180 1.00 0.00 H new ATOM 0 HA SER A 7 -4.359 -9.616 -4.687 1.00 0.00 H new ATOM 0 HB2 SER A 7 -3.797 -9.177 -2.007 1.00 0.00 H new ATOM 0 HB3 SER A 7 -5.541 -9.341 -1.972 1.00 0.00 H new ATOM 0 HG SER A 7 -4.927 -11.418 -1.879 1.00 0.00 H new ATOM 105 N SER A 8 -6.778 -7.663 -3.548 1.00 0.00 N ATOM 106 CA SER A 8 -8.169 -7.281 -3.769 1.00 0.00 C ATOM 107 C SER A 8 -8.265 -6.065 -4.686 1.00 0.00 C ATOM 108 O SER A 8 -9.297 -5.830 -5.315 1.00 0.00 O ATOM 109 CB SER A 8 -8.856 -6.983 -2.435 1.00 0.00 C ATOM 110 OG SER A 8 -8.100 -7.488 -1.347 1.00 0.00 O ATOM 0 H SER A 8 -6.308 -7.138 -2.811 1.00 0.00 H new ATOM 0 HA SER A 8 -8.674 -8.117 -4.253 1.00 0.00 H new ATOM 0 HB2 SER A 8 -8.987 -5.907 -2.322 1.00 0.00 H new ATOM 0 HB3 SER A 8 -9.851 -7.428 -2.428 1.00 0.00 H new ATOM 0 HG SER A 8 -8.560 -7.283 -0.506 1.00 0.00 H new ATOM 116 N GLY A 9 -7.183 -5.297 -4.754 1.00 0.00 N ATOM 117 CA GLY A 9 -7.161 -4.113 -5.594 1.00 0.00 C ATOM 118 C GLY A 9 -6.586 -2.910 -4.875 1.00 0.00 C ATOM 119 O GLY A 9 -7.144 -1.814 -4.938 1.00 0.00 O ATOM 0 H GLY A 9 -6.319 -5.473 -4.241 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -6.571 -4.315 -6.488 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -8.174 -3.886 -5.925 1.00 0.00 H new ATOM 123 N GLY A 10 -5.467 -3.117 -4.186 1.00 0.00 N ATOM 124 CA GLY A 10 -4.834 -2.035 -3.455 1.00 0.00 C ATOM 125 C GLY A 10 -3.663 -1.428 -4.204 1.00 0.00 C ATOM 126 O GLY A 10 -3.267 -1.921 -5.260 1.00 0.00 O ATOM 0 H GLY A 10 -4.988 -4.015 -4.121 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -5.572 -1.259 -3.252 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.489 -2.407 -2.490 1.00 0.00 H new ATOM 130 N GLN A 11 -3.107 -0.354 -3.650 1.00 0.00 N ATOM 131 CA GLN A 11 -1.973 0.328 -4.263 1.00 0.00 C ATOM 132 C GLN A 11 -1.085 0.961 -3.198 1.00 0.00 C ATOM 133 O GLN A 11 -1.546 1.281 -2.102 1.00 0.00 O ATOM 134 CB GLN A 11 -2.458 1.400 -5.241 1.00 0.00 C ATOM 135 CG GLN A 11 -1.764 1.348 -6.592 1.00 0.00 C ATOM 136 CD GLN A 11 -2.148 0.121 -7.396 1.00 0.00 C ATOM 137 OE1 GLN A 11 -3.319 -0.253 -7.459 1.00 0.00 O ATOM 138 NE2 GLN A 11 -1.159 -0.513 -8.016 1.00 0.00 N ATOM 0 H GLN A 11 -3.425 0.063 -2.775 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.389 -0.412 -4.810 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.532 1.286 -5.389 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -2.299 2.383 -4.798 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.015 2.244 -7.160 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.684 1.357 -6.443 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.203 -0.168 -7.936 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -1.356 -1.345 -8.572 1.00 0.00 H new ATOM 147 N CYS A 12 0.188 1.139 -3.529 1.00 0.00 N ATOM 148 CA CYS A 12 1.143 1.734 -2.604 1.00 0.00 C ATOM 149 C CYS A 12 1.465 3.169 -3.005 1.00 0.00 C ATOM 150 O CYS A 12 1.715 3.455 -4.176 1.00 0.00 O ATOM 151 CB CYS A 12 2.422 0.904 -2.559 1.00 0.00 C ATOM 152 SG CYS A 12 2.339 -0.649 -3.509 1.00 0.00 S ATOM 0 H CYS A 12 0.583 0.879 -4.433 1.00 0.00 H new ATOM 0 HA CYS A 12 0.693 1.747 -1.611 1.00 0.00 H new ATOM 0 HB2 CYS A 12 3.246 1.507 -2.941 1.00 0.00 H new ATOM 0 HB3 CYS A 12 2.653 0.669 -1.520 1.00 0.00 H new ATOM 157 N LEU A 13 1.450 4.069 -2.027 1.00 0.00 N ATOM 158 CA LEU A 13 1.734 5.478 -2.280 1.00 0.00 C ATOM 159 C LEU A 13 2.675 6.048 -1.224 1.00 0.00 C ATOM 160 O LEU A 13 2.773 5.522 -0.115 1.00 0.00 O ATOM 161 CB LEU A 13 0.433 6.283 -2.307 1.00 0.00 C ATOM 162 CG LEU A 13 -0.659 5.724 -3.221 1.00 0.00 C ATOM 163 CD1 LEU A 13 -1.549 4.755 -2.458 1.00 0.00 C ATOM 164 CD2 LEU A 13 -1.485 6.854 -3.815 1.00 0.00 C ATOM 0 H LEU A 13 1.244 3.848 -1.053 1.00 0.00 H new ATOM 0 HA LEU A 13 2.224 5.553 -3.251 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.040 6.342 -1.292 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.661 7.302 -2.621 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.182 5.181 -4.037 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.320 4.367 -3.124 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.947 3.929 -2.080 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.019 5.274 -1.622 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.257 6.439 -4.463 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.953 7.424 -3.012 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.838 7.511 -4.397 1.00 0.00 H new ATOM 176 N TYR A 14 3.364 7.129 -1.578 1.00 0.00 N ATOM 177 CA TYR A 14 4.298 7.779 -0.665 1.00 0.00 C ATOM 178 C TYR A 14 3.552 8.563 0.408 1.00 0.00 C ATOM 179 O TYR A 14 4.146 9.016 1.386 1.00 0.00 O ATOM 180 CB TYR A 14 5.232 8.713 -1.437 1.00 0.00 C ATOM 181 CG TYR A 14 5.792 8.102 -2.701 1.00 0.00 C ATOM 182 CD1 TYR A 14 6.751 7.099 -2.643 1.00 0.00 C ATOM 183 CD2 TYR A 14 5.361 8.527 -3.951 1.00 0.00 C ATOM 184 CE1 TYR A 14 7.266 6.537 -3.795 1.00 0.00 C ATOM 185 CE2 TYR A 14 5.871 7.969 -5.108 1.00 0.00 C ATOM 186 CZ TYR A 14 6.822 6.975 -5.025 1.00 0.00 C ATOM 187 OH TYR A 14 7.333 6.417 -6.174 1.00 0.00 O ATOM 0 H TYR A 14 3.293 7.574 -2.493 1.00 0.00 H new ATOM 0 HA TYR A 14 4.890 7.004 -0.179 1.00 0.00 H new ATOM 0 HB2 TYR A 14 4.691 9.624 -1.693 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.058 9.005 -0.788 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.100 6.753 -1.681 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.616 9.306 -4.020 1.00 0.00 H new ATOM 0 HE1 TYR A 14 8.012 5.759 -3.733 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.526 8.310 -6.073 1.00 0.00 H new ATOM 0 HH TYR A 14 6.915 6.836 -6.955 1.00 0.00 H new ATOM 197 N SER A 15 2.246 8.717 0.216 1.00 0.00 N ATOM 198 CA SER A 15 1.414 9.446 1.166 1.00 0.00 C ATOM 199 C SER A 15 0.251 8.580 1.639 1.00 0.00 C ATOM 200 O SER A 15 0.115 7.429 1.224 1.00 0.00 O ATOM 201 CB SER A 15 0.883 10.731 0.528 1.00 0.00 C ATOM 202 OG SER A 15 1.321 10.853 -0.815 1.00 0.00 O ATOM 0 H SER A 15 1.741 8.347 -0.589 1.00 0.00 H new ATOM 0 HA SER A 15 2.027 9.705 2.029 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.207 10.733 0.560 1.00 0.00 H new ATOM 0 HB3 SER A 15 1.221 11.593 1.104 1.00 0.00 H new ATOM 0 HG SER A 15 0.967 11.681 -1.201 1.00 0.00 H new ATOM 208 N ALA A 16 -0.585 9.142 2.508 1.00 0.00 N ATOM 209 CA ALA A 16 -1.739 8.424 3.037 1.00 0.00 C ATOM 210 C ALA A 16 -2.618 7.890 1.912 1.00 0.00 C ATOM 211 O ALA A 16 -2.762 8.530 0.870 1.00 0.00 O ATOM 212 CB ALA A 16 -2.546 9.329 3.955 1.00 0.00 C ATOM 0 H ALA A 16 -0.484 10.094 2.861 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.374 7.573 3.611 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.405 8.781 4.343 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.920 9.657 4.785 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.893 10.198 3.396 1.00 0.00 H new ATOM 218 N CYS A 17 -3.196 6.711 2.132 1.00 0.00 N ATOM 219 CA CYS A 17 -4.062 6.077 1.142 1.00 0.00 C ATOM 220 C CYS A 17 -5.058 7.076 0.553 1.00 0.00 C ATOM 221 O CYS A 17 -5.563 7.951 1.257 1.00 0.00 O ATOM 222 CB CYS A 17 -4.818 4.901 1.765 1.00 0.00 C ATOM 223 SG CYS A 17 -3.793 3.828 2.821 1.00 0.00 S ATOM 0 H CYS A 17 -3.079 6.174 2.991 1.00 0.00 H new ATOM 0 HA CYS A 17 -3.426 5.709 0.337 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -5.647 5.289 2.357 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -5.251 4.299 0.967 1.00 0.00 H new ATOM 228 N PRO A 18 -5.353 6.955 -0.754 1.00 0.00 N ATOM 229 CA PRO A 18 -6.290 7.848 -1.435 1.00 0.00 C ATOM 230 C PRO A 18 -7.749 7.480 -1.161 1.00 0.00 C ATOM 231 O PRO A 18 -8.399 8.093 -0.314 1.00 0.00 O ATOM 232 CB PRO A 18 -5.943 7.653 -2.910 1.00 0.00 C ATOM 233 CG PRO A 18 -5.414 6.260 -3.002 1.00 0.00 C ATOM 234 CD PRO A 18 -4.794 5.938 -1.665 1.00 0.00 C ATOM 0 HA PRO A 18 -6.199 8.880 -1.097 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.821 7.784 -3.543 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -5.201 8.380 -3.240 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.214 5.558 -3.236 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.676 6.179 -3.800 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.049 4.929 -1.340 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.706 5.995 -1.706 1.00 0.00 H new ATOM 242 N ILE A 19 -8.255 6.479 -1.881 1.00 0.00 N ATOM 243 CA ILE A 19 -9.632 6.023 -1.717 1.00 0.00 C ATOM 244 C ILE A 19 -9.922 5.613 -0.266 1.00 0.00 C ATOM 245 O ILE A 19 -9.109 5.850 0.628 1.00 0.00 O ATOM 246 CB ILE A 19 -9.933 4.851 -2.676 1.00 0.00 C ATOM 247 CG1 ILE A 19 -11.423 4.805 -3.021 1.00 0.00 C ATOM 248 CG2 ILE A 19 -9.473 3.526 -2.085 1.00 0.00 C ATOM 249 CD1 ILE A 19 -11.696 4.612 -4.497 1.00 0.00 C ATOM 0 H ILE A 19 -7.727 5.967 -2.587 1.00 0.00 H new ATOM 0 HA ILE A 19 -10.287 6.858 -1.965 1.00 0.00 H new ATOM 0 HB ILE A 19 -9.373 5.017 -3.596 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -11.892 3.994 -2.464 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -11.893 5.731 -2.691 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -9.698 2.719 -2.782 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -8.399 3.561 -1.905 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -9.993 3.348 -1.144 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -12.772 4.589 -4.668 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -11.257 5.436 -5.059 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -11.256 3.672 -4.829 1.00 0.00 H new ATOM 261 N PHE A 20 -11.080 4.996 -0.036 1.00 0.00 N ATOM 262 CA PHE A 20 -11.464 4.559 1.306 1.00 0.00 C ATOM 263 C PHE A 20 -10.709 3.296 1.719 1.00 0.00 C ATOM 264 O PHE A 20 -11.255 2.434 2.410 1.00 0.00 O ATOM 265 CB PHE A 20 -12.973 4.306 1.376 1.00 0.00 C ATOM 266 CG PHE A 20 -13.541 3.667 0.139 1.00 0.00 C ATOM 267 CD1 PHE A 20 -13.175 2.380 -0.225 1.00 0.00 C ATOM 268 CD2 PHE A 20 -14.441 4.353 -0.659 1.00 0.00 C ATOM 269 CE1 PHE A 20 -13.697 1.791 -1.361 1.00 0.00 C ATOM 270 CE2 PHE A 20 -14.966 3.770 -1.797 1.00 0.00 C ATOM 271 CZ PHE A 20 -14.593 2.487 -2.148 1.00 0.00 C ATOM 0 H PHE A 20 -11.768 4.788 -0.760 1.00 0.00 H new ATOM 0 HA PHE A 20 -11.200 5.358 1.999 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -13.185 3.667 2.233 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -13.483 5.253 1.551 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -12.474 1.831 0.386 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -14.736 5.356 -0.389 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -13.404 0.788 -1.633 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -15.667 4.317 -2.411 1.00 0.00 H new ATOM 0 HZ PHE A 20 -15.002 2.029 -3.037 1.00 0.00 H new ATOM 281 N THR A 21 -9.452 3.192 1.299 1.00 0.00 N ATOM 282 CA THR A 21 -8.627 2.038 1.631 1.00 0.00 C ATOM 283 C THR A 21 -8.024 2.184 3.024 1.00 0.00 C ATOM 284 O THR A 21 -8.443 3.040 3.804 1.00 0.00 O ATOM 285 CB THR A 21 -7.490 1.851 0.608 1.00 0.00 C ATOM 286 OG1 THR A 21 -7.134 3.115 0.036 1.00 0.00 O ATOM 287 CG2 THR A 21 -7.910 0.891 -0.496 1.00 0.00 C ATOM 0 H THR A 21 -8.983 3.895 0.727 1.00 0.00 H new ATOM 0 HA THR A 21 -9.275 1.162 1.606 1.00 0.00 H new ATOM 0 HB THR A 21 -6.628 1.431 1.127 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.410 2.989 -0.612 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.092 0.774 -1.207 1.00 0.00 H new ATOM 0 HG22 THR A 21 -8.155 -0.078 -0.062 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.784 1.289 -1.011 1.00 0.00 H new ATOM 295 N LYS A 22 -7.034 1.351 3.329 1.00 0.00 N ATOM 296 CA LYS A 22 -6.371 1.396 4.625 1.00 0.00 C ATOM 297 C LYS A 22 -4.928 0.918 4.503 1.00 0.00 C ATOM 298 O LYS A 22 -4.657 -0.132 3.920 1.00 0.00 O ATOM 299 CB LYS A 22 -7.133 0.548 5.649 1.00 0.00 C ATOM 300 CG LYS A 22 -7.080 -0.947 5.375 1.00 0.00 C ATOM 301 CD LYS A 22 -8.315 -1.657 5.902 1.00 0.00 C ATOM 302 CE LYS A 22 -8.903 -2.597 4.862 1.00 0.00 C ATOM 303 NZ LYS A 22 -10.032 -1.971 4.120 1.00 0.00 N ATOM 0 H LYS A 22 -6.674 0.637 2.696 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.364 2.429 4.972 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -6.724 0.740 6.641 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.175 0.867 5.667 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -6.992 -1.118 4.302 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -6.190 -1.371 5.840 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -8.057 -2.220 6.799 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.064 -0.920 6.193 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -8.125 -2.891 4.158 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -9.251 -3.507 5.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -10.404 -2.645 3.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -10.786 -1.713 4.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -9.695 -1.117 3.632 1.00 0.00 H new ATOM 317 N ILE A 23 -4.004 1.702 5.045 1.00 0.00 N ATOM 318 CA ILE A 23 -2.589 1.363 4.987 1.00 0.00 C ATOM 319 C ILE A 23 -2.219 0.356 6.068 1.00 0.00 C ATOM 320 O ILE A 23 -2.592 0.507 7.232 1.00 0.00 O ATOM 321 CB ILE A 23 -1.697 2.616 5.117 1.00 0.00 C ATOM 322 CG1 ILE A 23 -0.251 2.218 5.470 1.00 0.00 C ATOM 323 CG2 ILE A 23 -2.281 3.588 6.137 1.00 0.00 C ATOM 324 CD1 ILE A 23 0.127 2.427 6.924 1.00 0.00 C ATOM 0 H ILE A 23 -4.210 2.576 5.529 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.412 0.914 4.010 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.671 3.128 4.155 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.106 1.167 5.219 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.432 2.793 4.845 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.638 4.465 6.214 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.277 3.896 5.818 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.346 3.099 7.109 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.161 2.120 7.079 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.019 3.481 7.180 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.528 1.831 7.559 1.00 0.00 H new ATOM 336 N GLN A 24 -1.485 -0.671 5.666 1.00 0.00 N ATOM 337 CA GLN A 24 -1.056 -1.717 6.583 1.00 0.00 C ATOM 338 C GLN A 24 0.437 -1.613 6.874 1.00 0.00 C ATOM 339 O GLN A 24 0.842 -1.317 7.998 1.00 0.00 O ATOM 340 CB GLN A 24 -1.374 -3.084 5.986 1.00 0.00 C ATOM 341 CG GLN A 24 -2.508 -3.814 6.691 1.00 0.00 C ATOM 342 CD GLN A 24 -3.732 -2.941 6.892 1.00 0.00 C ATOM 343 OE1 GLN A 24 -4.387 -2.999 7.934 1.00 0.00 O ATOM 344 NE2 GLN A 24 -4.048 -2.126 5.892 1.00 0.00 N ATOM 0 H GLN A 24 -1.172 -0.803 4.704 1.00 0.00 H new ATOM 0 HA GLN A 24 -1.595 -1.593 7.523 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -1.633 -2.959 4.935 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.478 -3.703 6.022 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -2.786 -4.693 6.109 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -2.158 -4.170 7.660 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -3.477 -2.111 5.047 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -4.861 -1.515 5.969 1.00 0.00 H new ATOM 353 N GLY A 25 1.249 -1.862 5.851 1.00 0.00 N ATOM 354 CA GLY A 25 2.690 -1.794 6.013 1.00 0.00 C ATOM 355 C GLY A 25 3.361 -0.991 4.917 1.00 0.00 C ATOM 356 O GLY A 25 2.951 0.132 4.622 1.00 0.00 O ATOM 0 H GLY A 25 0.935 -2.110 4.913 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.923 -1.348 6.980 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.099 -2.804 6.021 1.00 0.00 H new ATOM 360 N THR A 26 4.397 -1.566 4.314 1.00 0.00 N ATOM 361 CA THR A 26 5.129 -0.894 3.247 1.00 0.00 C ATOM 362 C THR A 26 5.188 -1.747 1.988 1.00 0.00 C ATOM 363 O THR A 26 5.109 -2.974 2.048 1.00 0.00 O ATOM 364 CB THR A 26 6.563 -0.543 3.686 1.00 0.00 C ATOM 365 OG1 THR A 26 7.236 -1.721 4.147 1.00 0.00 O ATOM 366 CG2 THR A 26 6.549 0.504 4.789 1.00 0.00 C ATOM 0 H THR A 26 4.748 -2.495 4.546 1.00 0.00 H new ATOM 0 HA THR A 26 4.587 0.026 3.027 1.00 0.00 H new ATOM 0 HB THR A 26 7.094 -0.135 2.826 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.148 -1.490 4.423 1.00 0.00 H new ATOM 0 HG21 THR A 26 7.573 0.736 5.083 1.00 0.00 H new ATOM 0 HG22 THR A 26 6.062 1.409 4.426 1.00 0.00 H new ATOM 0 HG23 THR A 26 6.003 0.118 5.650 1.00 0.00 H new ATOM 374 N CYS A 27 5.321 -1.079 0.850 1.00 0.00 N ATOM 375 CA CYS A 27 5.386 -1.753 -0.444 1.00 0.00 C ATOM 376 C CYS A 27 6.826 -1.862 -0.941 1.00 0.00 C ATOM 377 O CYS A 27 7.484 -2.885 -0.755 1.00 0.00 O ATOM 378 CB CYS A 27 4.549 -0.989 -1.470 1.00 0.00 C ATOM 379 SG CYS A 27 3.287 -1.993 -2.317 1.00 0.00 S ATOM 0 H CYS A 27 5.387 -0.063 0.795 1.00 0.00 H new ATOM 0 HA CYS A 27 4.989 -2.760 -0.319 1.00 0.00 H new ATOM 0 HB2 CYS A 27 4.056 -0.156 -0.969 1.00 0.00 H new ATOM 0 HB3 CYS A 27 5.216 -0.561 -2.218 1.00 0.00 H new ATOM 384 N TYR A 28 7.296 -0.798 -1.588 1.00 0.00 N ATOM 385 CA TYR A 28 8.650 -0.751 -2.135 1.00 0.00 C ATOM 386 C TYR A 28 9.709 -0.899 -1.045 1.00 0.00 C ATOM 387 O TYR A 28 9.429 -1.384 0.052 1.00 0.00 O ATOM 388 CB TYR A 28 8.859 0.563 -2.891 1.00 0.00 C ATOM 389 CG TYR A 28 7.709 0.921 -3.806 1.00 0.00 C ATOM 390 CD1 TYR A 28 7.377 0.110 -4.884 1.00 0.00 C ATOM 391 CD2 TYR A 28 6.954 2.067 -3.591 1.00 0.00 C ATOM 392 CE1 TYR A 28 6.326 0.430 -5.721 1.00 0.00 C ATOM 393 CE2 TYR A 28 5.900 2.394 -4.424 1.00 0.00 C ATOM 394 CZ TYR A 28 5.590 1.572 -5.487 1.00 0.00 C ATOM 395 OH TYR A 28 4.542 1.893 -6.319 1.00 0.00 O ATOM 0 H TYR A 28 6.753 0.051 -1.747 1.00 0.00 H new ATOM 0 HA TYR A 28 8.761 -1.592 -2.820 1.00 0.00 H new ATOM 0 HB2 TYR A 28 9.005 1.368 -2.171 1.00 0.00 H new ATOM 0 HB3 TYR A 28 9.774 0.493 -3.480 1.00 0.00 H new ATOM 0 HD1 TYR A 28 7.950 -0.786 -5.071 1.00 0.00 H new ATOM 0 HD2 TYR A 28 7.194 2.713 -2.760 1.00 0.00 H new ATOM 0 HE1 TYR A 28 6.082 -0.211 -6.555 1.00 0.00 H new ATOM 0 HE2 TYR A 28 5.322 3.289 -4.243 1.00 0.00 H new ATOM 0 HH TYR A 28 4.127 2.727 -6.015 1.00 0.00 H new ATOM 405 N ARG A 29 10.931 -0.475 -1.363 1.00 0.00 N ATOM 406 CA ARG A 29 12.048 -0.552 -0.428 1.00 0.00 C ATOM 407 C ARG A 29 11.669 0.031 0.929 1.00 0.00 C ATOM 408 O ARG A 29 12.121 -0.448 1.969 1.00 0.00 O ATOM 409 CB ARG A 29 13.258 0.192 -0.995 1.00 0.00 C ATOM 410 CG ARG A 29 14.532 -0.017 -0.195 1.00 0.00 C ATOM 411 CD ARG A 29 15.750 -0.086 -1.101 1.00 0.00 C ATOM 412 NE ARG A 29 16.998 0.007 -0.350 1.00 0.00 N ATOM 413 CZ ARG A 29 17.612 -1.041 0.188 1.00 0.00 C ATOM 414 NH1 ARG A 29 17.094 -2.255 0.056 1.00 0.00 N ATOM 415 NH2 ARG A 29 18.745 -0.877 0.857 1.00 0.00 N ATOM 0 H ARG A 29 11.172 -0.072 -2.269 1.00 0.00 H new ATOM 0 HA ARG A 29 12.302 -1.603 -0.289 1.00 0.00 H new ATOM 0 HB2 ARG A 29 13.426 -0.134 -2.021 1.00 0.00 H new ATOM 0 HB3 ARG A 29 13.033 1.258 -1.032 1.00 0.00 H new ATOM 0 HG2 ARG A 29 14.653 0.798 0.519 1.00 0.00 H new ATOM 0 HG3 ARG A 29 14.454 -0.938 0.383 1.00 0.00 H new ATOM 0 HD2 ARG A 29 15.733 -1.021 -1.660 1.00 0.00 H new ATOM 0 HD3 ARG A 29 15.705 0.723 -1.830 1.00 0.00 H new ATOM 0 HE ARG A 29 17.422 0.927 -0.232 1.00 0.00 H new ATOM 0 HH11 ARG A 29 16.223 -2.385 -0.459 1.00 0.00 H new ATOM 0 HH12 ARG A 29 17.566 -3.059 0.470 1.00 0.00 H new ATOM 0 HH21 ARG A 29 19.147 0.055 0.959 1.00 0.00 H new ATOM 0 HH22 ARG A 29 19.215 -1.683 1.269 1.00 0.00 H new ATOM 429 N GLY A 30 10.834 1.066 0.912 1.00 0.00 N ATOM 430 CA GLY A 30 10.407 1.692 2.149 1.00 0.00 C ATOM 431 C GLY A 30 10.115 3.171 1.987 1.00 0.00 C ATOM 432 O GLY A 30 10.137 3.924 2.961 1.00 0.00 O ATOM 0 H GLY A 30 10.446 1.481 0.065 1.00 0.00 H new ATOM 0 HA2 GLY A 30 9.513 1.188 2.517 1.00 0.00 H new ATOM 0 HA3 GLY A 30 11.181 1.560 2.904 1.00 0.00 H new ATOM 436 N LYS A 31 9.838 3.589 0.755 1.00 0.00 N ATOM 437 CA LYS A 31 9.538 4.989 0.474 1.00 0.00 C ATOM 438 C LYS A 31 8.033 5.216 0.378 1.00 0.00 C ATOM 439 O LYS A 31 7.569 6.356 0.346 1.00 0.00 O ATOM 440 CB LYS A 31 10.215 5.428 -0.827 1.00 0.00 C ATOM 441 CG LYS A 31 10.768 6.842 -0.776 1.00 0.00 C ATOM 442 CD LYS A 31 10.453 7.611 -2.049 1.00 0.00 C ATOM 443 CE LYS A 31 11.720 7.975 -2.806 1.00 0.00 C ATOM 444 NZ LYS A 31 12.181 6.865 -3.686 1.00 0.00 N ATOM 0 H LYS A 31 9.815 2.980 -0.063 1.00 0.00 H new ATOM 0 HA LYS A 31 9.926 5.588 1.298 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.026 4.737 -1.056 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.496 5.357 -1.643 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.347 7.368 0.081 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.847 6.806 -0.629 1.00 0.00 H new ATOM 0 HD2 LYS A 31 9.806 7.010 -2.688 1.00 0.00 H new ATOM 0 HD3 LYS A 31 9.902 8.518 -1.801 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.539 8.865 -3.409 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.508 8.226 -2.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.047 7.154 -4.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.378 6.023 -3.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 11.440 6.642 -4.381 1.00 0.00 H new ATOM 458 N ALA A 32 7.274 4.124 0.333 1.00 0.00 N ATOM 459 CA ALA A 32 5.821 4.204 0.241 1.00 0.00 C ATOM 460 C ALA A 32 5.158 3.082 1.028 1.00 0.00 C ATOM 461 O ALA A 32 5.690 1.975 1.120 1.00 0.00 O ATOM 462 CB ALA A 32 5.382 4.162 -1.215 1.00 0.00 C ATOM 0 H ALA A 32 7.643 3.173 0.359 1.00 0.00 H new ATOM 0 HA ALA A 32 5.506 5.152 0.677 1.00 0.00 H new ATOM 0 HB1 ALA A 32 4.295 4.222 -1.269 1.00 0.00 H new ATOM 0 HB2 ALA A 32 5.819 5.004 -1.751 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.717 3.229 -1.669 1.00 0.00 H new ATOM 468 N LYS A 33 3.992 3.376 1.593 1.00 0.00 N ATOM 469 CA LYS A 33 3.250 2.393 2.373 1.00 0.00 C ATOM 470 C LYS A 33 2.130 1.775 1.541 1.00 0.00 C ATOM 471 O LYS A 33 1.482 2.458 0.748 1.00 0.00 O ATOM 472 CB LYS A 33 2.673 3.037 3.637 1.00 0.00 C ATOM 473 CG LYS A 33 2.579 4.554 3.568 1.00 0.00 C ATOM 474 CD LYS A 33 1.470 5.003 2.631 1.00 0.00 C ATOM 475 CE LYS A 33 0.103 4.599 3.155 1.00 0.00 C ATOM 476 NZ LYS A 33 -0.298 5.408 4.339 1.00 0.00 N ATOM 0 H LYS A 33 3.540 4.288 1.525 1.00 0.00 H new ATOM 0 HA LYS A 33 3.940 1.602 2.665 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.679 2.629 3.819 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.293 2.760 4.490 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.397 4.954 4.566 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.531 4.963 3.229 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.510 6.086 2.511 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.626 4.567 1.644 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.639 4.719 2.365 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.115 3.543 3.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.333 5.511 4.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 0.015 4.930 5.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.143 6.348 4.283 1.00 0.00 H new ATOM 490 N CYS A 34 1.918 0.476 1.722 1.00 0.00 N ATOM 491 CA CYS A 34 0.886 -0.245 0.981 1.00 0.00 C ATOM 492 C CYS A 34 -0.513 0.077 1.502 1.00 0.00 C ATOM 493 O CYS A 34 -0.715 0.259 2.703 1.00 0.00 O ATOM 494 CB CYS A 34 1.141 -1.752 1.061 1.00 0.00 C ATOM 495 SG CYS A 34 -0.359 -2.755 1.305 1.00 0.00 S ATOM 0 H CYS A 34 2.447 -0.101 2.376 1.00 0.00 H new ATOM 0 HA CYS A 34 0.936 0.078 -0.059 1.00 0.00 H new ATOM 0 HB2 CYS A 34 1.634 -2.074 0.144 1.00 0.00 H new ATOM 0 HB3 CYS A 34 1.832 -1.949 1.880 1.00 0.00 H new ATOM 500 N CYS A 35 -1.475 0.137 0.582 1.00 0.00 N ATOM 501 CA CYS A 35 -2.864 0.426 0.928 1.00 0.00 C ATOM 502 C CYS A 35 -3.806 -0.527 0.201 1.00 0.00 C ATOM 503 O CYS A 35 -3.559 -0.901 -0.945 1.00 0.00 O ATOM 504 CB CYS A 35 -3.218 1.872 0.567 1.00 0.00 C ATOM 505 SG CYS A 35 -2.356 3.126 1.567 1.00 0.00 S ATOM 0 H CYS A 35 -1.315 -0.012 -0.414 1.00 0.00 H new ATOM 0 HA CYS A 35 -2.980 0.289 2.003 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.985 2.039 -0.484 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.293 2.010 0.681 1.00 0.00 H new ATOM 510 N LYS A 36 -4.885 -0.917 0.872 1.00 0.00 N ATOM 511 CA LYS A 36 -5.863 -1.828 0.283 1.00 0.00 C ATOM 512 C LYS A 36 -7.127 -1.902 1.135 1.00 0.00 C ATOM 513 O LYS A 36 -7.053 -1.559 2.333 1.00 0.00 O ATOM 514 CB LYS A 36 -5.259 -3.224 0.124 1.00 0.00 C ATOM 515 CG LYS A 36 -4.989 -3.922 1.443 1.00 0.00 C ATOM 516 CD LYS A 36 -3.586 -3.630 1.942 1.00 0.00 C ATOM 517 CE LYS A 36 -3.461 -3.898 3.430 1.00 0.00 C ATOM 518 NZ LYS A 36 -2.531 -5.027 3.713 1.00 0.00 N ATOM 519 OXT LYS A 36 -8.179 -2.303 0.595 1.00 0.00 O ATOM 0 H LYS A 36 -5.105 -0.618 1.822 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.134 -1.441 -0.699 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.935 -3.838 -0.471 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.326 -3.146 -0.434 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.717 -3.596 2.186 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.118 -4.997 1.321 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.869 -4.246 1.398 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.334 -2.590 1.736 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.104 -2.999 3.932 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.444 -4.125 3.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.917 -5.610 4.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.422 -5.610 2.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.604 -4.650 3.996 1.00 0.00 H new