USER MOD reduce.3.24.130724 H: found=0, std=0, add=254, rem=0, adj=12 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 22 LYS NZ :NH3+ -105:sc= -0.0283 (180deg=0) USER MOD Set 1.2: A 24 GLN : amide:sc= -3.14! K(o=-4.3!,f=-0.55) USER MOD Set 1.3: A 36 LYS NZ :NH3+ -142:sc= -1.16 (180deg=-0.0431) USER MOD Set 2.1: A 4 ASN : amide:sc= 0 X(o=0,f=0.41) USER MOD Set 2.2: A 7 SER OG : rot -130:sc= 0 USER MOD Single : A 2 HIS : no HE2:sc= -0.365 K(o=-0.37,f=-2.2) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0.00298 USER MOD Single : A 11 GLN : amide:sc= -0.0458 X(o=-0.046,f=0) 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 109:sc= -0.25! 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+ -139:sc= 0.863 (180deg=0.0492) USER MOD ----------------------------------------------------------------- ATOM 15 N HIS A 2 8.143 -5.351 0.500 1.00 0.00 N ATOM 16 CA HIS A 2 6.854 -5.006 -0.089 1.00 0.00 C ATOM 17 C HIS A 2 5.733 -5.846 0.522 1.00 0.00 C ATOM 18 O HIS A 2 5.712 -7.070 0.383 1.00 0.00 O ATOM 19 CB HIS A 2 6.909 -5.197 -1.613 1.00 0.00 C ATOM 20 CG HIS A 2 5.623 -5.664 -2.228 1.00 0.00 C ATOM 21 ND1 HIS A 2 5.295 -6.997 -2.364 1.00 0.00 N ATOM 22 CD2 HIS A 2 4.584 -4.968 -2.750 1.00 0.00 C ATOM 23 CE1 HIS A 2 4.112 -7.101 -2.944 1.00 0.00 C ATOM 24 NE2 HIS A 2 3.660 -5.885 -3.187 1.00 0.00 N ATOM 0 HA HIS A 2 6.640 -3.959 0.127 1.00 0.00 H new ATOM 0 HB2 HIS A 2 7.196 -4.252 -2.075 1.00 0.00 H new ATOM 0 HB3 HIS A 2 7.692 -5.918 -1.848 1.00 0.00 H new ATOM 0 HD1 HIS A 2 5.875 -7.780 -2.064 1.00 0.00 H new ATOM 0 HD2 HIS A 2 4.499 -3.893 -2.811 1.00 0.00 H new ATOM 0 HE1 HIS A 2 3.602 -8.024 -3.179 1.00 0.00 H new ATOM 33 N TYR A 3 4.804 -5.177 1.199 1.00 0.00 N ATOM 34 CA TYR A 3 3.678 -5.852 1.830 1.00 0.00 C ATOM 35 C TYR A 3 2.772 -6.481 0.778 1.00 0.00 C ATOM 36 O TYR A 3 2.806 -6.096 -0.390 1.00 0.00 O ATOM 37 CB TYR A 3 2.880 -4.862 2.678 1.00 0.00 C ATOM 38 CG TYR A 3 2.192 -5.496 3.863 1.00 0.00 C ATOM 39 CD1 TYR A 3 2.857 -5.654 5.071 1.00 0.00 C ATOM 40 CD2 TYR A 3 0.878 -5.935 3.775 1.00 0.00 C ATOM 41 CE1 TYR A 3 2.233 -6.232 6.158 1.00 0.00 C ATOM 42 CE2 TYR A 3 0.246 -6.515 4.857 1.00 0.00 C ATOM 43 CZ TYR A 3 0.927 -6.661 6.047 1.00 0.00 C ATOM 44 OH TYR A 3 0.302 -7.238 7.128 1.00 0.00 O ATOM 0 H TYR A 3 4.811 -4.165 1.324 1.00 0.00 H new ATOM 0 HA TYR A 3 4.066 -6.642 2.473 1.00 0.00 H new ATOM 0 HB2 TYR A 3 3.550 -4.079 3.034 1.00 0.00 H new ATOM 0 HB3 TYR A 3 2.131 -4.380 2.050 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.880 -5.319 5.162 1.00 0.00 H new ATOM 0 HD2 TYR A 3 0.341 -5.821 2.845 1.00 0.00 H new ATOM 0 HE1 TYR A 3 2.765 -6.348 7.091 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -0.776 -6.853 4.772 1.00 0.00 H new ATOM 0 HH TYR A 3 -0.615 -7.483 6.883 1.00 0.00 H new ATOM 54 N ASN A 4 1.961 -7.447 1.197 1.00 0.00 N ATOM 55 CA ASN A 4 1.048 -8.121 0.285 1.00 0.00 C ATOM 56 C ASN A 4 -0.058 -7.177 -0.170 1.00 0.00 C ATOM 57 O ASN A 4 -1.144 -7.143 0.410 1.00 0.00 O ATOM 58 CB ASN A 4 0.448 -9.357 0.956 1.00 0.00 C ATOM 59 CG ASN A 4 1.009 -10.649 0.396 1.00 0.00 C ATOM 60 OD1 ASN A 4 2.224 -10.818 0.289 1.00 0.00 O ATOM 61 ND2 ASN A 4 0.124 -11.572 0.034 1.00 0.00 N ATOM 0 H ASN A 4 1.918 -7.779 2.160 1.00 0.00 H new ATOM 0 HA ASN A 4 1.611 -8.435 -0.594 1.00 0.00 H new ATOM 0 HB2 ASN A 4 0.641 -9.315 2.028 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -0.634 -9.348 0.827 1.00 0.00 H new ATOM 0 HD21 ASN A 4 0.443 -12.462 -0.350 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -0.874 -11.391 0.140 1.00 0.00 H new ATOM 68 N CYS A 5 0.233 -6.413 -1.216 1.00 0.00 N ATOM 69 CA CYS A 5 -0.725 -5.460 -1.768 1.00 0.00 C ATOM 70 C CYS A 5 -1.228 -5.933 -3.127 1.00 0.00 C ATOM 71 O CYS A 5 -2.325 -6.481 -3.239 1.00 0.00 O ATOM 72 CB CYS A 5 -0.080 -4.080 -1.905 1.00 0.00 C ATOM 73 SG CYS A 5 -0.953 -2.758 -1.007 1.00 0.00 S ATOM 0 H CYS A 5 1.130 -6.435 -1.702 1.00 0.00 H new ATOM 0 HA CYS A 5 -1.572 -5.391 -1.085 1.00 0.00 H new ATOM 0 HB2 CYS A 5 0.947 -4.133 -1.543 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -0.032 -3.816 -2.962 1.00 0.00 H new ATOM 78 N VAL A 6 -0.411 -5.721 -4.157 1.00 0.00 N ATOM 79 CA VAL A 6 -0.754 -6.127 -5.516 1.00 0.00 C ATOM 80 C VAL A 6 -1.113 -7.611 -5.574 1.00 0.00 C ATOM 81 O VAL A 6 -1.714 -8.077 -6.543 1.00 0.00 O ATOM 82 CB VAL A 6 0.406 -5.844 -6.492 1.00 0.00 C ATOM 83 CG1 VAL A 6 1.608 -6.719 -6.169 1.00 0.00 C ATOM 84 CG2 VAL A 6 -0.040 -6.045 -7.933 1.00 0.00 C ATOM 0 H VAL A 6 0.499 -5.267 -4.074 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.622 -5.539 -5.816 1.00 0.00 H new ATOM 0 HB VAL A 6 0.704 -4.802 -6.373 1.00 0.00 H new ATOM 0 HG11 VAL A 6 2.414 -6.503 -6.870 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.945 -6.513 -5.153 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.327 -7.769 -6.252 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.794 -5.840 -8.604 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.372 -7.074 -8.071 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.862 -5.365 -8.158 1.00 0.00 H new ATOM 94 N SER A 7 -0.733 -8.343 -4.529 1.00 0.00 N ATOM 95 CA SER A 7 -1.003 -9.776 -4.444 1.00 0.00 C ATOM 96 C SER A 7 -2.439 -10.096 -4.852 1.00 0.00 C ATOM 97 O SER A 7 -2.674 -10.933 -5.723 1.00 0.00 O ATOM 98 CB SER A 7 -0.743 -10.280 -3.024 1.00 0.00 C ATOM 99 OG SER A 7 0.267 -11.274 -3.013 1.00 0.00 O ATOM 0 H SER A 7 -0.234 -7.964 -3.724 1.00 0.00 H new ATOM 0 HA SER A 7 -0.331 -10.283 -5.136 1.00 0.00 H new ATOM 0 HB2 SER A 7 -0.445 -9.447 -2.388 1.00 0.00 H new ATOM 0 HB3 SER A 7 -1.663 -10.687 -2.605 1.00 0.00 H new ATOM 0 HG SER A 7 -0.046 -12.053 -2.507 1.00 0.00 H new ATOM 105 N SER A 8 -3.395 -9.425 -4.216 1.00 0.00 N ATOM 106 CA SER A 8 -4.807 -9.639 -4.514 1.00 0.00 C ATOM 107 C SER A 8 -5.382 -8.468 -5.303 1.00 0.00 C ATOM 108 O SER A 8 -6.537 -8.502 -5.730 1.00 0.00 O ATOM 109 CB SER A 8 -5.598 -9.831 -3.220 1.00 0.00 C ATOM 110 OG SER A 8 -5.202 -8.892 -2.236 1.00 0.00 O ATOM 0 H SER A 8 -3.218 -8.729 -3.492 1.00 0.00 H new ATOM 0 HA SER A 8 -4.891 -10.540 -5.122 1.00 0.00 H new ATOM 0 HB2 SER A 8 -6.664 -9.723 -3.422 1.00 0.00 H new ATOM 0 HB3 SER A 8 -5.446 -10.843 -2.844 1.00 0.00 H new ATOM 0 HG SER A 8 -5.724 -9.035 -1.419 1.00 0.00 H new ATOM 116 N GLY A 9 -4.570 -7.432 -5.493 1.00 0.00 N ATOM 117 CA GLY A 9 -5.016 -6.264 -6.230 1.00 0.00 C ATOM 118 C GLY A 9 -5.002 -5.004 -5.385 1.00 0.00 C ATOM 119 O GLY A 9 -5.997 -4.281 -5.321 1.00 0.00 O ATOM 0 H GLY A 9 -3.611 -7.381 -5.149 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -4.376 -6.121 -7.100 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -6.026 -6.437 -6.602 1.00 0.00 H new ATOM 123 N GLY A 10 -3.872 -4.741 -4.737 1.00 0.00 N ATOM 124 CA GLY A 10 -3.754 -3.561 -3.901 1.00 0.00 C ATOM 125 C GLY A 10 -3.092 -2.404 -4.622 1.00 0.00 C ATOM 126 O GLY A 10 -2.747 -2.512 -5.799 1.00 0.00 O ATOM 0 H GLY A 10 -3.036 -5.324 -4.776 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -4.745 -3.257 -3.565 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -3.177 -3.807 -3.009 1.00 0.00 H new ATOM 130 N GLN A 11 -2.913 -1.294 -3.913 1.00 0.00 N ATOM 131 CA GLN A 11 -2.287 -0.110 -4.489 1.00 0.00 C ATOM 132 C GLN A 11 -1.476 0.640 -3.438 1.00 0.00 C ATOM 133 O GLN A 11 -1.957 0.895 -2.334 1.00 0.00 O ATOM 134 CB GLN A 11 -3.347 0.817 -5.088 1.00 0.00 C ATOM 135 CG GLN A 11 -2.825 1.687 -6.220 1.00 0.00 C ATOM 136 CD GLN A 11 -3.786 2.800 -6.593 1.00 0.00 C ATOM 137 OE1 GLN A 11 -3.393 3.960 -6.715 1.00 0.00 O ATOM 138 NE2 GLN A 11 -5.055 2.452 -6.773 1.00 0.00 N ATOM 0 H GLN A 11 -3.193 -1.190 -2.938 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.613 -0.436 -5.281 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -4.177 0.215 -5.457 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -3.743 1.459 -4.301 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.869 2.121 -5.928 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.639 1.065 -7.095 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -5.337 1.478 -6.662 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -5.747 3.158 -7.023 1.00 0.00 H new ATOM 147 N CYS A 12 -0.242 0.988 -3.788 1.00 0.00 N ATOM 148 CA CYS A 12 0.638 1.707 -2.874 1.00 0.00 C ATOM 149 C CYS A 12 0.711 3.187 -3.238 1.00 0.00 C ATOM 150 O CYS A 12 0.925 3.542 -4.398 1.00 0.00 O ATOM 151 CB CYS A 12 2.038 1.092 -2.897 1.00 0.00 C ATOM 152 SG CYS A 12 2.087 -0.618 -3.526 1.00 0.00 S ATOM 0 H CYS A 12 0.171 0.784 -4.698 1.00 0.00 H new ATOM 0 HA CYS A 12 0.227 1.622 -1.868 1.00 0.00 H new ATOM 0 HB2 CYS A 12 2.687 1.714 -3.514 1.00 0.00 H new ATOM 0 HB3 CYS A 12 2.447 1.108 -1.887 1.00 0.00 H new ATOM 157 N LEU A 13 0.531 4.047 -2.238 1.00 0.00 N ATOM 158 CA LEU A 13 0.575 5.490 -2.451 1.00 0.00 C ATOM 159 C LEU A 13 1.443 6.172 -1.398 1.00 0.00 C ATOM 160 O LEU A 13 1.671 5.626 -0.319 1.00 0.00 O ATOM 161 CB LEU A 13 -0.840 6.070 -2.419 1.00 0.00 C ATOM 162 CG LEU A 13 -1.733 5.654 -3.588 1.00 0.00 C ATOM 163 CD1 LEU A 13 -3.135 5.330 -3.097 1.00 0.00 C ATOM 164 CD2 LEU A 13 -1.774 6.750 -4.642 1.00 0.00 C ATOM 0 H LEU A 13 0.353 3.769 -1.273 1.00 0.00 H new ATOM 0 HA LEU A 13 1.016 5.676 -3.430 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.320 5.767 -1.488 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.771 7.158 -2.403 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.313 4.757 -4.042 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.758 5.036 -3.942 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.089 4.512 -2.378 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.565 6.210 -2.618 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.414 6.438 -5.467 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.171 7.664 -4.201 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.766 6.935 -5.014 1.00 0.00 H new ATOM 176 N TYR A 14 1.927 7.369 -1.721 1.00 0.00 N ATOM 177 CA TYR A 14 2.774 8.127 -0.805 1.00 0.00 C ATOM 178 C TYR A 14 1.937 8.887 0.220 1.00 0.00 C ATOM 179 O TYR A 14 2.474 9.460 1.168 1.00 0.00 O ATOM 180 CB TYR A 14 3.656 9.107 -1.582 1.00 0.00 C ATOM 181 CG TYR A 14 4.346 8.492 -2.779 1.00 0.00 C ATOM 182 CD1 TYR A 14 5.448 7.662 -2.618 1.00 0.00 C ATOM 183 CD2 TYR A 14 3.896 8.743 -4.069 1.00 0.00 C ATOM 184 CE1 TYR A 14 6.082 7.099 -3.710 1.00 0.00 C ATOM 185 CE2 TYR A 14 4.524 8.184 -5.165 1.00 0.00 C ATOM 186 CZ TYR A 14 5.617 7.364 -4.980 1.00 0.00 C ATOM 187 OH TYR A 14 6.246 6.805 -6.069 1.00 0.00 O ATOM 0 H TYR A 14 1.747 7.835 -2.610 1.00 0.00 H new ATOM 0 HA TYR A 14 3.407 7.417 -0.273 1.00 0.00 H new ATOM 0 HB2 TYR A 14 3.044 9.944 -1.918 1.00 0.00 H new ATOM 0 HB3 TYR A 14 4.411 9.514 -0.909 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.815 7.453 -1.624 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.041 9.386 -4.217 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.937 6.455 -3.569 1.00 0.00 H new ATOM 0 HE2 TYR A 14 4.161 8.388 -6.161 1.00 0.00 H new ATOM 0 HH TYR A 14 5.794 7.091 -6.890 1.00 0.00 H new ATOM 197 N SER A 15 0.622 8.891 0.023 1.00 0.00 N ATOM 198 CA SER A 15 -0.284 9.586 0.932 1.00 0.00 C ATOM 199 C SER A 15 -1.246 8.610 1.600 1.00 0.00 C ATOM 200 O SER A 15 -1.337 7.446 1.208 1.00 0.00 O ATOM 201 CB SER A 15 -1.071 10.660 0.179 1.00 0.00 C ATOM 202 OG SER A 15 -1.916 10.082 -0.801 1.00 0.00 O ATOM 0 H SER A 15 0.161 8.422 -0.756 1.00 0.00 H new ATOM 0 HA SER A 15 0.317 10.061 1.708 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.669 11.238 0.884 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.379 11.355 -0.297 1.00 0.00 H new ATOM 0 HG SER A 15 -2.409 10.790 -1.266 1.00 0.00 H new ATOM 208 N ALA A 16 -1.963 9.095 2.611 1.00 0.00 N ATOM 209 CA ALA A 16 -2.922 8.273 3.339 1.00 0.00 C ATOM 210 C ALA A 16 -3.935 7.643 2.392 1.00 0.00 C ATOM 211 O ALA A 16 -4.289 8.227 1.367 1.00 0.00 O ATOM 212 CB ALA A 16 -3.631 9.105 4.396 1.00 0.00 C ATOM 0 H ALA A 16 -1.896 10.057 2.944 1.00 0.00 H new ATOM 0 HA ALA A 16 -2.375 7.468 3.831 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.345 8.480 4.933 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.898 9.503 5.097 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.159 9.929 3.916 1.00 0.00 H new ATOM 218 N CYS A 17 -4.392 6.445 2.745 1.00 0.00 N ATOM 219 CA CYS A 17 -5.365 5.716 1.935 1.00 0.00 C ATOM 220 C CYS A 17 -6.502 6.630 1.476 1.00 0.00 C ATOM 221 O CYS A 17 -7.079 7.363 2.279 1.00 0.00 O ATOM 222 CB CYS A 17 -5.935 4.540 2.729 1.00 0.00 C ATOM 223 SG CYS A 17 -6.041 2.988 1.783 1.00 0.00 S ATOM 0 H CYS A 17 -4.102 5.955 3.592 1.00 0.00 H new ATOM 0 HA CYS A 17 -4.850 5.341 1.050 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -5.314 4.375 3.610 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -6.930 4.804 3.086 1.00 0.00 H new ATOM 228 N PRO A 18 -6.837 6.602 0.171 1.00 0.00 N ATOM 229 CA PRO A 18 -7.896 7.425 -0.393 1.00 0.00 C ATOM 230 C PRO A 18 -9.255 6.727 -0.377 1.00 0.00 C ATOM 231 O PRO A 18 -10.086 6.993 0.492 1.00 0.00 O ATOM 232 CB PRO A 18 -7.419 7.652 -1.829 1.00 0.00 C ATOM 233 CG PRO A 18 -6.495 6.511 -2.148 1.00 0.00 C ATOM 234 CD PRO A 18 -6.208 5.770 -0.862 1.00 0.00 C ATOM 0 HA PRO A 18 -8.054 8.342 0.174 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.262 7.676 -2.520 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.904 8.608 -1.922 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.952 5.844 -2.879 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -5.570 6.882 -2.589 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.629 4.765 -0.877 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -5.137 5.664 -0.692 1.00 0.00 H new ATOM 242 N ILE A 19 -9.477 5.840 -1.348 1.00 0.00 N ATOM 243 CA ILE A 19 -10.733 5.102 -1.455 1.00 0.00 C ATOM 244 C ILE A 19 -11.044 4.318 -0.171 1.00 0.00 C ATOM 245 O ILE A 19 -10.407 4.524 0.863 1.00 0.00 O ATOM 246 CB ILE A 19 -10.709 4.157 -2.676 1.00 0.00 C ATOM 247 CG1 ILE A 19 -12.126 3.921 -3.206 1.00 0.00 C ATOM 248 CG2 ILE A 19 -10.032 2.837 -2.338 1.00 0.00 C ATOM 249 CD1 ILE A 19 -12.175 3.613 -4.687 1.00 0.00 C ATOM 0 H ILE A 19 -8.798 5.615 -2.075 1.00 0.00 H new ATOM 0 HA ILE A 19 -11.530 5.833 -1.595 1.00 0.00 H new ATOM 0 HB ILE A 19 -10.125 4.639 -3.460 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -12.578 3.095 -2.656 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -12.731 4.805 -3.007 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -10.031 2.193 -3.217 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.005 3.025 -2.024 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -10.575 2.346 -1.530 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -13.210 3.457 -4.992 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -11.753 4.448 -5.246 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -11.597 2.711 -4.890 1.00 0.00 H new ATOM 261 N PHE A 20 -12.030 3.426 -0.239 1.00 0.00 N ATOM 262 CA PHE A 20 -12.426 2.627 0.919 1.00 0.00 C ATOM 263 C PHE A 20 -11.432 1.499 1.207 1.00 0.00 C ATOM 264 O PHE A 20 -11.824 0.426 1.667 1.00 0.00 O ATOM 265 CB PHE A 20 -13.826 2.041 0.709 1.00 0.00 C ATOM 266 CG PHE A 20 -14.129 1.675 -0.719 1.00 0.00 C ATOM 267 CD1 PHE A 20 -13.428 0.662 -1.354 1.00 0.00 C ATOM 268 CD2 PHE A 20 -15.118 2.343 -1.423 1.00 0.00 C ATOM 269 CE1 PHE A 20 -13.707 0.323 -2.665 1.00 0.00 C ATOM 270 CE2 PHE A 20 -15.402 2.009 -2.734 1.00 0.00 C ATOM 271 CZ PHE A 20 -14.695 0.998 -3.356 1.00 0.00 C ATOM 0 H PHE A 20 -12.570 3.238 -1.084 1.00 0.00 H new ATOM 0 HA PHE A 20 -12.434 3.293 1.782 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -13.934 1.153 1.332 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -14.566 2.763 1.053 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -12.655 0.131 -0.818 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -15.674 3.134 -0.942 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -13.153 -0.468 -3.148 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -16.175 2.538 -3.271 1.00 0.00 H new ATOM 0 HZ PHE A 20 -14.914 0.736 -4.380 1.00 0.00 H new ATOM 281 N THR A 21 -10.149 1.743 0.952 1.00 0.00 N ATOM 282 CA THR A 21 -9.120 0.739 1.207 1.00 0.00 C ATOM 283 C THR A 21 -8.570 0.879 2.620 1.00 0.00 C ATOM 284 O THR A 21 -8.990 1.757 3.375 1.00 0.00 O ATOM 285 CB THR A 21 -7.952 0.843 0.207 1.00 0.00 C ATOM 286 OG1 THR A 21 -7.938 2.138 -0.403 1.00 0.00 O ATOM 287 CG2 THR A 21 -8.060 -0.228 -0.867 1.00 0.00 C ATOM 0 H THR A 21 -9.799 2.622 0.571 1.00 0.00 H new ATOM 0 HA THR A 21 -9.596 -0.234 1.087 1.00 0.00 H new ATOM 0 HB THR A 21 -7.022 0.692 0.756 1.00 0.00 H new ATOM 0 HG1 THR A 21 -7.179 2.653 -0.059 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.224 -0.133 -1.560 1.00 0.00 H new ATOM 0 HG22 THR A 21 -8.036 -1.213 -0.402 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.997 -0.106 -1.410 1.00 0.00 H new ATOM 295 N LYS A 22 -7.622 0.016 2.972 1.00 0.00 N ATOM 296 CA LYS A 22 -7.011 0.055 4.293 1.00 0.00 C ATOM 297 C LYS A 22 -5.502 -0.098 4.184 1.00 0.00 C ATOM 298 O LYS A 22 -5.006 -0.933 3.428 1.00 0.00 O ATOM 299 CB LYS A 22 -7.587 -1.042 5.187 1.00 0.00 C ATOM 300 CG LYS A 22 -7.473 -2.437 4.594 1.00 0.00 C ATOM 301 CD LYS A 22 -8.314 -3.440 5.367 1.00 0.00 C ATOM 302 CE LYS A 22 -7.553 -4.005 6.555 1.00 0.00 C ATOM 303 NZ LYS A 22 -6.980 -5.347 6.260 1.00 0.00 N ATOM 0 H LYS A 22 -7.262 -0.717 2.361 1.00 0.00 H new ATOM 0 HA LYS A 22 -7.235 1.022 4.743 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.073 -1.022 6.148 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.637 -0.825 5.383 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.793 -2.418 3.552 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -6.430 -2.753 4.601 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.228 -2.959 5.714 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.613 -4.253 4.705 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -6.751 -3.321 6.831 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -8.221 -4.076 7.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -7.543 -6.078 6.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -6.998 -5.514 5.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -5.998 -5.388 6.600 1.00 0.00 H new ATOM 317 N ILE A 23 -4.777 0.715 4.939 1.00 0.00 N ATOM 318 CA ILE A 23 -3.322 0.669 4.918 1.00 0.00 C ATOM 319 C ILE A 23 -2.795 -0.313 5.960 1.00 0.00 C ATOM 320 O ILE A 23 -3.139 -0.234 7.140 1.00 0.00 O ATOM 321 CB ILE A 23 -2.696 2.077 5.124 1.00 0.00 C ATOM 322 CG1 ILE A 23 -1.520 2.037 6.107 1.00 0.00 C ATOM 323 CG2 ILE A 23 -3.743 3.075 5.599 1.00 0.00 C ATOM 324 CD1 ILE A 23 -0.242 1.496 5.505 1.00 0.00 C ATOM 0 H ILE A 23 -5.171 1.412 5.571 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.023 0.319 3.930 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.315 2.403 4.156 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.337 3.044 6.482 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.796 1.423 6.965 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -3.279 4.052 5.735 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.537 3.151 4.856 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -4.164 2.738 6.546 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.545 1.498 6.259 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.407 0.477 5.156 1.00 0.00 H new ATOM 0 HD13 ILE A 23 0.059 2.123 4.665 1.00 0.00 H new ATOM 336 N GLN A 24 -1.963 -1.242 5.504 1.00 0.00 N ATOM 337 CA GLN A 24 -1.384 -2.252 6.380 1.00 0.00 C ATOM 338 C GLN A 24 0.075 -1.936 6.696 1.00 0.00 C ATOM 339 O GLN A 24 0.444 -1.767 7.858 1.00 0.00 O ATOM 340 CB GLN A 24 -1.492 -3.633 5.730 1.00 0.00 C ATOM 341 CG GLN A 24 -2.376 -4.604 6.498 1.00 0.00 C ATOM 342 CD GLN A 24 -3.700 -3.991 6.913 1.00 0.00 C ATOM 343 OE1 GLN A 24 -4.132 -4.136 8.056 1.00 0.00 O ATOM 344 NE2 GLN A 24 -4.352 -3.303 5.983 1.00 0.00 N ATOM 0 H GLN A 24 -1.674 -1.316 4.529 1.00 0.00 H new ATOM 0 HA GLN A 24 -1.942 -2.249 7.316 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -1.885 -3.519 4.720 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.493 -4.060 5.637 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -2.565 -5.482 5.881 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -1.845 -4.947 7.386 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -3.956 -3.208 5.048 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -5.248 -2.869 6.204 1.00 0.00 H new ATOM 353 N GLY A 25 0.904 -1.864 5.656 1.00 0.00 N ATOM 354 CA GLY A 25 2.314 -1.575 5.851 1.00 0.00 C ATOM 355 C GLY A 25 2.884 -0.666 4.779 1.00 0.00 C ATOM 356 O GLY A 25 2.292 0.359 4.444 1.00 0.00 O ATOM 0 H GLY A 25 0.624 -2.000 4.685 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.453 -1.109 6.827 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.873 -2.510 5.862 1.00 0.00 H new ATOM 360 N THR A 26 4.042 -1.041 4.244 1.00 0.00 N ATOM 361 CA THR A 26 4.697 -0.251 3.207 1.00 0.00 C ATOM 362 C THR A 26 5.004 -1.098 1.980 1.00 0.00 C ATOM 363 O THR A 26 5.237 -2.302 2.082 1.00 0.00 O ATOM 364 CB THR A 26 6.004 0.381 3.720 1.00 0.00 C ATOM 365 OG1 THR A 26 6.777 -0.597 4.427 1.00 0.00 O ATOM 366 CG2 THR A 26 5.712 1.561 4.634 1.00 0.00 C ATOM 0 H THR A 26 4.546 -1.887 4.511 1.00 0.00 H new ATOM 0 HA THR A 26 4.002 0.543 2.932 1.00 0.00 H new ATOM 0 HB THR A 26 6.570 0.739 2.860 1.00 0.00 H new ATOM 0 HG1 THR A 26 7.607 -0.188 4.749 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.650 1.991 4.984 1.00 0.00 H new ATOM 0 HG22 THR A 26 5.149 2.316 4.085 1.00 0.00 H new ATOM 0 HG23 THR A 26 5.127 1.223 5.489 1.00 0.00 H new ATOM 374 N CYS A 27 4.999 -0.453 0.820 1.00 0.00 N ATOM 375 CA CYS A 27 5.270 -1.134 -0.441 1.00 0.00 C ATOM 376 C CYS A 27 6.740 -1.002 -0.834 1.00 0.00 C ATOM 377 O CYS A 27 7.522 -1.938 -0.667 1.00 0.00 O ATOM 378 CB CYS A 27 4.381 -0.562 -1.546 1.00 0.00 C ATOM 379 SG CYS A 27 3.013 -1.655 -2.046 1.00 0.00 S ATOM 0 H CYS A 27 4.809 0.545 0.726 1.00 0.00 H new ATOM 0 HA CYS A 27 5.047 -2.193 -0.309 1.00 0.00 H new ATOM 0 HB2 CYS A 27 3.967 0.388 -1.208 1.00 0.00 H new ATOM 0 HB3 CYS A 27 4.998 -0.348 -2.419 1.00 0.00 H new ATOM 384 N TYR A 28 7.105 0.163 -1.364 1.00 0.00 N ATOM 385 CA TYR A 28 8.478 0.422 -1.791 1.00 0.00 C ATOM 386 C TYR A 28 9.458 0.316 -0.622 1.00 0.00 C ATOM 387 O TYR A 28 9.127 -0.223 0.434 1.00 0.00 O ATOM 388 CB TYR A 28 8.579 1.807 -2.435 1.00 0.00 C ATOM 389 CG TYR A 28 7.539 2.061 -3.506 1.00 0.00 C ATOM 390 CD1 TYR A 28 7.350 1.160 -4.548 1.00 0.00 C ATOM 391 CD2 TYR A 28 6.748 3.203 -3.476 1.00 0.00 C ATOM 392 CE1 TYR A 28 6.402 1.390 -5.528 1.00 0.00 C ATOM 393 CE2 TYR A 28 5.799 3.440 -4.452 1.00 0.00 C ATOM 394 CZ TYR A 28 5.630 2.531 -5.475 1.00 0.00 C ATOM 395 OH TYR A 28 4.687 2.765 -6.449 1.00 0.00 O ATOM 0 H TYR A 28 6.467 0.945 -1.508 1.00 0.00 H new ATOM 0 HA TYR A 28 8.747 -0.338 -2.525 1.00 0.00 H new ATOM 0 HB2 TYR A 28 8.481 2.566 -1.659 1.00 0.00 H new ATOM 0 HB3 TYR A 28 9.571 1.923 -2.871 1.00 0.00 H new ATOM 0 HD1 TYR A 28 7.954 0.266 -4.593 1.00 0.00 H new ATOM 0 HD2 TYR A 28 6.877 3.917 -2.676 1.00 0.00 H new ATOM 0 HE1 TYR A 28 6.267 0.680 -6.330 1.00 0.00 H new ATOM 0 HE2 TYR A 28 5.193 4.333 -4.414 1.00 0.00 H new ATOM 0 HH TYR A 28 4.229 3.611 -6.264 1.00 0.00 H new ATOM 405 N ARG A 29 10.668 0.836 -0.826 1.00 0.00 N ATOM 406 CA ARG A 29 11.706 0.806 0.200 1.00 0.00 C ATOM 407 C ARG A 29 11.180 1.324 1.535 1.00 0.00 C ATOM 408 O ARG A 29 11.545 0.818 2.596 1.00 0.00 O ATOM 409 CB ARG A 29 12.910 1.639 -0.243 1.00 0.00 C ATOM 410 CG ARG A 29 13.816 0.922 -1.231 1.00 0.00 C ATOM 411 CD ARG A 29 15.284 1.170 -0.922 1.00 0.00 C ATOM 412 NE ARG A 29 15.755 2.436 -1.479 1.00 0.00 N ATOM 413 CZ ARG A 29 16.955 2.598 -2.029 1.00 0.00 C ATOM 414 NH1 ARG A 29 17.800 1.578 -2.101 1.00 0.00 N ATOM 415 NH2 ARG A 29 17.310 3.782 -2.509 1.00 0.00 N ATOM 0 H ARG A 29 10.953 1.285 -1.697 1.00 0.00 H new ATOM 0 HA ARG A 29 12.014 -0.231 0.334 1.00 0.00 H new ATOM 0 HB2 ARG A 29 12.554 2.565 -0.695 1.00 0.00 H new ATOM 0 HB3 ARG A 29 13.492 1.917 0.636 1.00 0.00 H new ATOM 0 HG2 ARG A 29 13.613 -0.148 -1.202 1.00 0.00 H new ATOM 0 HG3 ARG A 29 13.594 1.261 -2.243 1.00 0.00 H new ATOM 0 HD2 ARG A 29 15.432 1.172 0.158 1.00 0.00 H new ATOM 0 HD3 ARG A 29 15.882 0.352 -1.324 1.00 0.00 H new ATOM 0 HE ARG A 29 15.129 3.240 -1.444 1.00 0.00 H new ATOM 0 HH11 ARG A 29 17.530 0.665 -1.734 1.00 0.00 H new ATOM 0 HH12 ARG A 29 18.719 1.706 -2.524 1.00 0.00 H new ATOM 0 HH21 ARG A 29 16.663 4.569 -2.456 1.00 0.00 H new ATOM 0 HH22 ARG A 29 18.230 3.906 -2.931 1.00 0.00 H new ATOM 429 N GLY A 30 10.321 2.335 1.473 1.00 0.00 N ATOM 430 CA GLY A 30 9.757 2.905 2.683 1.00 0.00 C ATOM 431 C GLY A 30 9.347 4.354 2.507 1.00 0.00 C ATOM 432 O GLY A 30 9.606 5.189 3.374 1.00 0.00 O ATOM 0 H GLY A 30 10.005 2.770 0.607 1.00 0.00 H new ATOM 0 HA2 GLY A 30 8.889 2.320 2.986 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.487 2.833 3.489 1.00 0.00 H new ATOM 436 N LYS A 31 8.704 4.652 1.382 1.00 0.00 N ATOM 437 CA LYS A 31 8.256 6.009 1.094 1.00 0.00 C ATOM 438 C LYS A 31 6.751 6.047 0.856 1.00 0.00 C ATOM 439 O LYS A 31 6.119 7.095 0.981 1.00 0.00 O ATOM 440 CB LYS A 31 8.990 6.561 -0.130 1.00 0.00 C ATOM 441 CG LYS A 31 9.816 7.802 0.165 1.00 0.00 C ATOM 442 CD LYS A 31 9.968 8.678 -1.068 1.00 0.00 C ATOM 443 CE LYS A 31 11.049 8.151 -1.998 1.00 0.00 C ATOM 444 NZ LYS A 31 12.381 8.741 -1.691 1.00 0.00 N ATOM 0 H LYS A 31 8.482 3.972 0.655 1.00 0.00 H new ATOM 0 HA LYS A 31 8.485 6.631 1.959 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.644 5.786 -0.531 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.261 6.796 -0.905 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.342 8.374 0.963 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.801 7.507 0.526 1.00 0.00 H new ATOM 0 HD2 LYS A 31 9.019 8.724 -1.602 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.213 9.696 -0.764 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.104 7.066 -1.912 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.781 8.376 -3.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.091 8.356 -2.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.336 9.775 -1.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.649 8.505 -0.714 1.00 0.00 H new ATOM 458 N ALA A 32 6.184 4.896 0.512 1.00 0.00 N ATOM 459 CA ALA A 32 4.752 4.796 0.256 1.00 0.00 C ATOM 460 C ALA A 32 4.127 3.675 1.076 1.00 0.00 C ATOM 461 O ALA A 32 4.742 2.631 1.291 1.00 0.00 O ATOM 462 CB ALA A 32 4.495 4.577 -1.227 1.00 0.00 C ATOM 0 H ALA A 32 6.694 4.019 0.404 1.00 0.00 H new ATOM 0 HA ALA A 32 4.286 5.734 0.558 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.422 4.504 -1.403 1.00 0.00 H new ATOM 0 HB2 ALA A 32 4.900 5.415 -1.794 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.979 3.654 -1.548 1.00 0.00 H new ATOM 468 N LYS A 33 2.900 3.901 1.531 1.00 0.00 N ATOM 469 CA LYS A 33 2.187 2.913 2.328 1.00 0.00 C ATOM 470 C LYS A 33 1.261 2.076 1.454 1.00 0.00 C ATOM 471 O LYS A 33 0.543 2.607 0.606 1.00 0.00 O ATOM 472 CB LYS A 33 1.386 3.605 3.432 1.00 0.00 C ATOM 473 CG LYS A 33 0.741 4.910 2.994 1.00 0.00 C ATOM 474 CD LYS A 33 -0.744 4.934 3.319 1.00 0.00 C ATOM 475 CE LYS A 33 -1.519 3.956 2.452 1.00 0.00 C ATOM 476 NZ LYS A 33 -1.739 4.483 1.076 1.00 0.00 N ATOM 0 H LYS A 33 2.379 4.761 1.361 1.00 0.00 H new ATOM 0 HA LYS A 33 2.920 2.248 2.784 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.609 2.927 3.784 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.045 3.802 4.278 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.236 5.746 3.488 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.882 5.045 1.922 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -0.892 4.686 4.370 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.134 5.941 3.171 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.976 3.012 2.396 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.482 3.743 2.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.706 4.255 0.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.610 5.515 1.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.056 4.048 0.424 1.00 0.00 H new ATOM 490 N CYS A 34 1.287 0.765 1.663 1.00 0.00 N ATOM 491 CA CYS A 34 0.454 -0.151 0.891 1.00 0.00 C ATOM 492 C CYS A 34 -0.981 -0.159 1.409 1.00 0.00 C ATOM 493 O CYS A 34 -1.218 -0.096 2.616 1.00 0.00 O ATOM 494 CB CYS A 34 1.037 -1.565 0.942 1.00 0.00 C ATOM 495 SG CYS A 34 -0.212 -2.889 0.877 1.00 0.00 S ATOM 0 H CYS A 34 1.876 0.311 2.361 1.00 0.00 H new ATOM 0 HA CYS A 34 0.441 0.194 -0.143 1.00 0.00 H new ATOM 0 HB2 CYS A 34 1.728 -1.691 0.109 1.00 0.00 H new ATOM 0 HB3 CYS A 34 1.618 -1.674 1.858 1.00 0.00 H new ATOM 500 N CYS A 35 -1.934 -0.238 0.485 1.00 0.00 N ATOM 501 CA CYS A 35 -3.349 -0.256 0.842 1.00 0.00 C ATOM 502 C CYS A 35 -4.094 -1.335 0.061 1.00 0.00 C ATOM 503 O CYS A 35 -3.978 -1.421 -1.161 1.00 0.00 O ATOM 504 CB CYS A 35 -3.979 1.113 0.575 1.00 0.00 C ATOM 505 SG CYS A 35 -4.232 2.119 2.073 1.00 0.00 S ATOM 0 H CYS A 35 -1.752 -0.291 -0.517 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.429 -0.484 1.905 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.343 1.665 -0.117 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.940 0.969 0.080 1.00 0.00 H new ATOM 510 N LYS A 36 -4.859 -2.158 0.776 1.00 0.00 N ATOM 511 CA LYS A 36 -5.626 -3.233 0.152 1.00 0.00 C ATOM 512 C LYS A 36 -6.873 -3.556 0.969 1.00 0.00 C ATOM 513 O LYS A 36 -6.750 -4.295 1.969 1.00 0.00 O ATOM 514 CB LYS A 36 -4.769 -4.497 -0.009 1.00 0.00 C ATOM 515 CG LYS A 36 -3.410 -4.418 0.672 1.00 0.00 C ATOM 516 CD LYS A 36 -3.311 -5.390 1.836 1.00 0.00 C ATOM 517 CE LYS A 36 -3.683 -4.724 3.151 1.00 0.00 C ATOM 518 NZ LYS A 36 -4.462 -5.637 4.034 1.00 0.00 N ATOM 519 OXT LYS A 36 -7.962 -3.065 0.604 1.00 0.00 O ATOM 0 H LYS A 36 -4.964 -2.100 1.789 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.932 -2.889 -0.836 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.317 -5.348 0.395 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.620 -4.689 -1.072 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.626 -4.636 -0.053 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.240 -3.402 1.030 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.970 -6.240 1.658 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.296 -5.781 1.899 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.777 -4.406 3.666 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.268 -3.826 2.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.199 -5.096 4.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.907 -6.381 3.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.825 -6.073 4.731 1.00 0.00 H new