USER MOD reduce.3.24.130724 H: found=0, std=0, add=245, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 245 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 21 TYR OH : rot 100:sc= 0 USER MOD Set 1.2: A 23 HIS : no HD1:sc= -0.0883 X(o=-0.088,f=-0.46) USER MOD Set 2.1: A 11 ASN : amide:sc= -0.347 K(o=-0.35,f=-2.1) USER MOD Set 2.2: A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 1 CYS N :NH3+ -151:sc= 0.384 (180deg=0.0596) USER MOD Single : A 3 LYS NZ :NH3+ -170:sc=-0.00977 (180deg=-0.112) USER MOD Single : A 4 ASN : amide:sc=-0.00418 X(o=-0.0042,f=0.047) USER MOD Single : A 6 ASN : amide:sc= -2.38! K(o=-2.4!,f=-0.17) USER MOD Single : A 9 GLN : amide:sc= -1.4 K(o=-1.4,f=-0.012) USER MOD Single : A 14 GLN : amide:sc= -0.172 X(o=-0.17,f=-0.17) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 60:sc= -1.86! USER MOD Single : A 24 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0504) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -135:sc= -0.0646 (180deg=-0.445) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 5.676 -10.237 1.191 1.00 0.00 N ATOM 2 CA CYS A 1 5.288 -8.853 0.840 1.00 0.00 C ATOM 3 C CYS A 1 4.134 -8.371 1.710 1.00 0.00 C ATOM 4 O CYS A 1 4.272 -8.273 2.926 1.00 0.00 O ATOM 5 CB CYS A 1 4.934 -8.799 -0.658 1.00 0.00 C ATOM 6 SG CYS A 1 3.744 -10.073 -1.211 1.00 0.00 S ATOM 0 H1 CYS A 1 6.687 -10.376 0.989 1.00 0.00 H new ATOM 0 H2 CYS A 1 5.499 -10.401 2.203 1.00 0.00 H new ATOM 0 H3 CYS A 1 5.115 -10.908 0.628 1.00 0.00 H new ATOM 0 HA CYS A 1 6.124 -8.180 1.029 1.00 0.00 H new ATOM 0 HB2 CYS A 1 4.523 -7.815 -0.885 1.00 0.00 H new ATOM 0 HB3 CYS A 1 5.851 -8.903 -1.238 1.00 0.00 H new ATOM 13 N ILE A 2 3.022 -8.050 1.072 1.00 0.00 N ATOM 14 CA ILE A 2 1.833 -7.537 1.731 1.00 0.00 C ATOM 15 C ILE A 2 1.346 -8.352 2.929 1.00 0.00 C ATOM 16 O ILE A 2 1.422 -9.581 2.968 1.00 0.00 O ATOM 17 CB ILE A 2 0.702 -7.390 0.700 1.00 0.00 C ATOM 18 CG1 ILE A 2 1.074 -6.278 -0.264 1.00 0.00 C ATOM 19 CG2 ILE A 2 -0.648 -7.111 1.352 1.00 0.00 C ATOM 20 CD1 ILE A 2 1.279 -4.938 0.407 1.00 0.00 C ATOM 0 H ILE A 2 2.918 -8.140 0.061 1.00 0.00 H new ATOM 0 HA ILE A 2 2.121 -6.571 2.147 1.00 0.00 H new ATOM 0 HB ILE A 2 0.592 -8.334 0.167 1.00 0.00 H new ATOM 0 HG12 ILE A 2 1.988 -6.555 -0.790 1.00 0.00 H new ATOM 0 HG13 ILE A 2 0.290 -6.183 -1.015 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -1.412 -7.016 0.580 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -0.907 -7.933 2.019 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -0.592 -6.184 1.923 1.00 0.00 H new ATOM 0 HD11 ILE A 2 1.542 -4.192 -0.343 1.00 0.00 H new ATOM 0 HD12 ILE A 2 0.359 -4.638 0.910 1.00 0.00 H new ATOM 0 HD13 ILE A 2 2.083 -5.017 1.138 1.00 0.00 H new ATOM 32 N LYS A 3 0.812 -7.598 3.873 1.00 0.00 N ATOM 33 CA LYS A 3 0.224 -8.071 5.097 1.00 0.00 C ATOM 34 C LYS A 3 -0.913 -7.096 5.370 1.00 0.00 C ATOM 35 O LYS A 3 -0.952 -6.049 4.721 1.00 0.00 O ATOM 36 CB LYS A 3 1.256 -8.050 6.231 1.00 0.00 C ATOM 37 CG LYS A 3 0.707 -8.516 7.564 1.00 0.00 C ATOM 38 CD LYS A 3 1.726 -8.363 8.685 1.00 0.00 C ATOM 39 CE LYS A 3 2.964 -9.215 8.449 1.00 0.00 C ATOM 40 NZ LYS A 3 2.653 -10.668 8.433 1.00 0.00 N ATOM 0 H LYS A 3 0.779 -6.582 3.794 1.00 0.00 H new ATOM 0 HA LYS A 3 -0.127 -9.101 5.026 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.099 -8.683 5.954 1.00 0.00 H new ATOM 0 HB3 LYS A 3 1.641 -7.036 6.341 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -0.188 -7.944 7.807 1.00 0.00 H new ATOM 0 HG3 LYS A 3 0.407 -9.561 7.487 1.00 0.00 H new ATOM 0 HD2 LYS A 3 2.017 -7.316 8.770 1.00 0.00 H new ATOM 0 HD3 LYS A 3 1.267 -8.644 9.633 1.00 0.00 H new ATOM 0 HE2 LYS A 3 3.421 -8.933 7.501 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.697 -9.011 9.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 3.539 -11.213 8.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 2.090 -10.912 9.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.112 -10.898 7.575 1.00 0.00 H new ATOM 54 N ASN A 4 -1.833 -7.416 6.268 1.00 0.00 N ATOM 55 CA ASN A 4 -2.966 -6.528 6.560 1.00 0.00 C ATOM 56 C ASN A 4 -2.500 -5.242 7.246 1.00 0.00 C ATOM 57 O ASN A 4 -2.788 -5.002 8.421 1.00 0.00 O ATOM 58 CB ASN A 4 -3.994 -7.249 7.431 1.00 0.00 C ATOM 59 CG ASN A 4 -5.394 -6.691 7.271 1.00 0.00 C ATOM 60 OD1 ASN A 4 -5.680 -5.552 7.646 1.00 0.00 O ATOM 61 ND2 ASN A 4 -6.275 -7.498 6.703 1.00 0.00 N ATOM 0 H ASN A 4 -1.824 -8.280 6.810 1.00 0.00 H new ATOM 0 HA ASN A 4 -3.432 -6.255 5.613 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -3.999 -8.309 7.177 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -3.695 -7.173 8.476 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -7.235 -7.185 6.560 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -5.994 -8.433 6.408 1.00 0.00 H new ATOM 68 N GLY A 5 -1.770 -4.430 6.499 1.00 0.00 N ATOM 69 CA GLY A 5 -1.251 -3.186 7.014 1.00 0.00 C ATOM 70 C GLY A 5 -0.096 -2.662 6.177 1.00 0.00 C ATOM 71 O GLY A 5 0.230 -1.479 6.235 1.00 0.00 O ATOM 0 H GLY A 5 -1.525 -4.618 5.527 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -2.048 -2.443 7.038 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -0.918 -3.330 8.042 1.00 0.00 H new ATOM 75 N ASN A 6 0.530 -3.553 5.408 1.00 0.00 N ATOM 76 CA ASN A 6 1.668 -3.187 4.560 1.00 0.00 C ATOM 77 C ASN A 6 1.254 -2.185 3.482 1.00 0.00 C ATOM 78 O ASN A 6 0.189 -2.312 2.868 1.00 0.00 O ATOM 79 CB ASN A 6 2.305 -4.439 3.935 1.00 0.00 C ATOM 80 CG ASN A 6 3.066 -5.280 4.952 1.00 0.00 C ATOM 81 OD1 ASN A 6 3.638 -6.309 4.610 1.00 0.00 O ATOM 82 ND2 ASN A 6 3.084 -4.853 6.204 1.00 0.00 N ATOM 0 H ASN A 6 0.268 -4.537 5.354 1.00 0.00 H new ATOM 0 HA ASN A 6 2.416 -2.704 5.190 1.00 0.00 H new ATOM 0 HB2 ASN A 6 1.526 -5.048 3.476 1.00 0.00 H new ATOM 0 HB3 ASN A 6 2.984 -4.137 3.138 1.00 0.00 H new ATOM 0 HD21 ASN A 6 3.584 -5.384 6.917 1.00 0.00 H new ATOM 0 HD22 ASN A 6 2.598 -3.992 6.456 1.00 0.00 H new ATOM 89 N GLY A 7 2.098 -1.173 3.296 1.00 0.00 N ATOM 90 CA GLY A 7 1.843 -0.105 2.341 1.00 0.00 C ATOM 91 C GLY A 7 1.596 -0.566 0.916 1.00 0.00 C ATOM 92 O GLY A 7 2.259 -1.474 0.409 1.00 0.00 O ATOM 0 H GLY A 7 2.977 -1.073 3.804 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.977 0.465 2.678 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.694 0.576 2.344 1.00 0.00 H new ATOM 96 N CYS A 8 0.637 0.091 0.273 1.00 0.00 N ATOM 97 CA CYS A 8 0.265 -0.200 -1.104 1.00 0.00 C ATOM 98 C CYS A 8 0.607 0.983 -2.008 1.00 0.00 C ATOM 99 O CYS A 8 1.124 0.803 -3.108 1.00 0.00 O ATOM 100 CB CYS A 8 -1.235 -0.498 -1.190 1.00 0.00 C ATOM 101 SG CYS A 8 -1.792 -1.133 -2.809 1.00 0.00 S ATOM 0 H CYS A 8 0.094 0.844 0.696 1.00 0.00 H new ATOM 0 HA CYS A 8 0.825 -1.074 -1.438 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -1.492 -1.226 -0.421 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -1.787 0.414 -0.963 1.00 0.00 H new ATOM 106 N GLN A 9 0.312 2.195 -1.529 1.00 0.00 N ATOM 107 CA GLN A 9 0.581 3.424 -2.281 1.00 0.00 C ATOM 108 C GLN A 9 0.755 4.613 -1.341 1.00 0.00 C ATOM 109 O GLN A 9 -0.144 5.437 -1.195 1.00 0.00 O ATOM 110 CB GLN A 9 -0.550 3.734 -3.274 1.00 0.00 C ATOM 111 CG GLN A 9 -0.439 3.012 -4.611 1.00 0.00 C ATOM 112 CD GLN A 9 0.644 3.563 -5.526 1.00 0.00 C ATOM 113 OE1 GLN A 9 0.919 2.996 -6.583 1.00 0.00 O ATOM 114 NE2 GLN A 9 1.251 4.679 -5.148 1.00 0.00 N ATOM 0 H GLN A 9 -0.116 2.352 -0.617 1.00 0.00 H new ATOM 0 HA GLN A 9 1.505 3.260 -2.835 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -1.502 3.472 -2.813 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -0.570 4.808 -3.457 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -0.241 1.956 -4.426 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -1.399 3.071 -5.125 1.00 0.00 H new ATOM 0 HE21 GLN A 9 0.998 5.123 -4.265 1.00 0.00 H new ATOM 0 HE22 GLN A 9 1.971 5.094 -5.740 1.00 0.00 H new ATOM 123 N PRO A 10 1.920 4.726 -0.694 1.00 0.00 N ATOM 124 CA PRO A 10 2.207 5.831 0.217 1.00 0.00 C ATOM 125 C PRO A 10 2.345 7.147 -0.544 1.00 0.00 C ATOM 126 O PRO A 10 3.151 7.250 -1.475 1.00 0.00 O ATOM 127 CB PRO A 10 3.540 5.440 0.874 1.00 0.00 C ATOM 128 CG PRO A 10 3.770 4.013 0.498 1.00 0.00 C ATOM 129 CD PRO A 10 3.054 3.807 -0.804 1.00 0.00 C ATOM 0 HA PRO A 10 1.410 5.987 0.944 1.00 0.00 H new ATOM 0 HB2 PRO A 10 4.352 6.074 0.520 1.00 0.00 H new ATOM 0 HB3 PRO A 10 3.493 5.557 1.957 1.00 0.00 H new ATOM 0 HG2 PRO A 10 4.835 3.804 0.395 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.386 3.341 1.265 1.00 0.00 H new ATOM 0 HD2 PRO A 10 3.688 4.046 -1.658 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.728 2.774 -0.928 1.00 0.00 H new ATOM 137 N ASN A 11 1.540 8.132 -0.144 1.00 0.00 N ATOM 138 CA ASN A 11 1.509 9.464 -0.759 1.00 0.00 C ATOM 139 C ASN A 11 0.920 9.412 -2.171 1.00 0.00 C ATOM 140 O ASN A 11 -0.063 10.092 -2.466 1.00 0.00 O ATOM 141 CB ASN A 11 2.911 10.102 -0.779 1.00 0.00 C ATOM 142 CG ASN A 11 2.933 11.481 -1.427 1.00 0.00 C ATOM 143 OD1 ASN A 11 2.685 11.628 -2.624 1.00 0.00 O ATOM 144 ND2 ASN A 11 3.233 12.505 -0.639 1.00 0.00 N ATOM 0 H ASN A 11 0.881 8.028 0.627 1.00 0.00 H new ATOM 0 HA ASN A 11 0.860 10.090 -0.146 1.00 0.00 H new ATOM 0 HB2 ASN A 11 3.282 10.182 0.243 1.00 0.00 H new ATOM 0 HB3 ASN A 11 3.595 9.444 -1.316 1.00 0.00 H new ATOM 0 HD21 ASN A 11 3.264 13.450 -1.021 1.00 0.00 H new ATOM 0 HD22 ASN A 11 3.433 12.347 0.349 1.00 0.00 H new ATOM 151 N GLY A 12 1.519 8.604 -3.033 1.00 0.00 N ATOM 152 CA GLY A 12 1.049 8.480 -4.396 1.00 0.00 C ATOM 153 C GLY A 12 2.202 8.463 -5.373 1.00 0.00 C ATOM 154 O GLY A 12 2.087 7.937 -6.477 1.00 0.00 O ATOM 0 H GLY A 12 2.330 8.027 -2.809 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.467 7.564 -4.501 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.383 9.310 -4.630 1.00 0.00 H new ATOM 158 N SER A 13 3.312 9.060 -4.953 1.00 0.00 N ATOM 159 CA SER A 13 4.519 9.153 -5.766 1.00 0.00 C ATOM 160 C SER A 13 5.060 7.778 -6.140 1.00 0.00 C ATOM 161 O SER A 13 5.527 7.571 -7.261 1.00 0.00 O ATOM 162 CB SER A 13 5.579 9.943 -5.004 1.00 0.00 C ATOM 163 OG SER A 13 5.039 11.158 -4.509 1.00 0.00 O ATOM 0 H SER A 13 3.400 9.495 -4.035 1.00 0.00 H new ATOM 0 HA SER A 13 4.265 9.665 -6.694 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.961 9.345 -4.176 1.00 0.00 H new ATOM 0 HB3 SER A 13 6.423 10.155 -5.660 1.00 0.00 H new ATOM 0 HG SER A 13 5.733 11.650 -4.022 1.00 0.00 H new ATOM 169 N GLN A 14 5.002 6.843 -5.207 1.00 0.00 N ATOM 170 CA GLN A 14 5.493 5.506 -5.459 1.00 0.00 C ATOM 171 C GLN A 14 4.874 4.525 -4.473 1.00 0.00 C ATOM 172 O GLN A 14 4.791 4.807 -3.276 1.00 0.00 O ATOM 173 CB GLN A 14 7.017 5.480 -5.345 1.00 0.00 C ATOM 174 CG GLN A 14 7.671 4.459 -6.253 1.00 0.00 C ATOM 175 CD GLN A 14 7.531 4.809 -7.723 1.00 0.00 C ATOM 176 OE1 GLN A 14 8.023 5.840 -8.180 1.00 0.00 O ATOM 177 NE2 GLN A 14 6.856 3.958 -8.473 1.00 0.00 N ATOM 0 H GLN A 14 4.620 6.988 -4.272 1.00 0.00 H new ATOM 0 HA GLN A 14 5.210 5.210 -6.469 1.00 0.00 H new ATOM 0 HB2 GLN A 14 7.409 6.469 -5.582 1.00 0.00 H new ATOM 0 HB3 GLN A 14 7.293 5.267 -4.312 1.00 0.00 H new ATOM 0 HG2 GLN A 14 8.729 4.380 -6.002 1.00 0.00 H new ATOM 0 HG3 GLN A 14 7.226 3.480 -6.073 1.00 0.00 H new ATOM 0 HE21 GLN A 14 6.463 3.113 -8.058 1.00 0.00 H new ATOM 0 HE22 GLN A 14 6.728 4.145 -9.467 1.00 0.00 H new ATOM 186 N GLY A 15 4.432 3.389 -4.984 1.00 0.00 N ATOM 187 CA GLY A 15 3.815 2.381 -4.149 1.00 0.00 C ATOM 188 C GLY A 15 3.592 1.083 -4.897 1.00 0.00 C ATOM 189 O GLY A 15 3.193 1.089 -6.063 1.00 0.00 O ATOM 0 H GLY A 15 4.490 3.144 -5.973 1.00 0.00 H new ATOM 0 HA2 GLY A 15 4.446 2.195 -3.280 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.861 2.753 -3.777 1.00 0.00 H new ATOM 193 N ASN A 16 3.851 -0.029 -4.232 1.00 0.00 N ATOM 194 CA ASN A 16 3.682 -1.345 -4.837 1.00 0.00 C ATOM 195 C ASN A 16 3.110 -2.326 -3.830 1.00 0.00 C ATOM 196 O ASN A 16 3.464 -2.295 -2.650 1.00 0.00 O ATOM 197 CB ASN A 16 5.020 -1.865 -5.370 1.00 0.00 C ATOM 198 CG ASN A 16 5.415 -1.219 -6.684 1.00 0.00 C ATOM 199 OD1 ASN A 16 4.762 -1.419 -7.708 1.00 0.00 O ATOM 200 ND2 ASN A 16 6.474 -0.426 -6.660 1.00 0.00 N ATOM 0 H ASN A 16 4.181 -0.050 -3.267 1.00 0.00 H new ATOM 0 HA ASN A 16 2.984 -1.250 -5.669 1.00 0.00 H new ATOM 0 HB2 ASN A 16 5.798 -1.680 -4.630 1.00 0.00 H new ATOM 0 HB3 ASN A 16 4.958 -2.945 -5.504 1.00 0.00 H new ATOM 0 HD21 ASN A 16 6.777 0.047 -7.512 1.00 0.00 H new ATOM 0 HD22 ASN A 16 6.988 -0.287 -5.790 1.00 0.00 H new ATOM 207 N CYS A 17 2.225 -3.192 -4.296 1.00 0.00 N ATOM 208 CA CYS A 17 1.597 -4.181 -3.437 1.00 0.00 C ATOM 209 C CYS A 17 1.254 -5.438 -4.219 1.00 0.00 C ATOM 210 O CYS A 17 0.590 -5.377 -5.254 1.00 0.00 O ATOM 211 CB CYS A 17 0.331 -3.599 -2.798 1.00 0.00 C ATOM 212 SG CYS A 17 -0.842 -4.847 -2.169 1.00 0.00 S ATOM 0 H CYS A 17 1.924 -3.229 -5.270 1.00 0.00 H new ATOM 0 HA CYS A 17 2.304 -4.447 -2.651 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.622 -2.945 -1.976 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.179 -2.978 -3.534 1.00 0.00 H new ATOM 217 N CYS A 18 1.708 -6.575 -3.712 1.00 0.00 N ATOM 218 CA CYS A 18 1.453 -7.862 -4.347 1.00 0.00 C ATOM 219 C CYS A 18 -0.033 -8.215 -4.285 1.00 0.00 C ATOM 220 O CYS A 18 -0.548 -8.950 -5.131 1.00 0.00 O ATOM 221 CB CYS A 18 2.292 -8.959 -3.673 1.00 0.00 C ATOM 222 SG CYS A 18 2.128 -9.018 -1.854 1.00 0.00 S ATOM 0 H CYS A 18 2.259 -6.633 -2.856 1.00 0.00 H new ATOM 0 HA CYS A 18 1.741 -7.791 -5.396 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.002 -9.926 -4.084 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.341 -8.806 -3.927 1.00 0.00 H new ATOM 227 N SER A 19 -0.715 -7.687 -3.274 1.00 0.00 N ATOM 228 CA SER A 19 -2.136 -7.945 -3.081 1.00 0.00 C ATOM 229 C SER A 19 -2.991 -7.185 -4.097 1.00 0.00 C ATOM 230 O SER A 19 -3.976 -7.714 -4.614 1.00 0.00 O ATOM 231 CB SER A 19 -2.541 -7.573 -1.655 1.00 0.00 C ATOM 232 OG SER A 19 -3.896 -7.883 -1.409 1.00 0.00 O ATOM 0 H SER A 19 -0.302 -7.074 -2.571 1.00 0.00 H new ATOM 0 HA SER A 19 -2.312 -9.009 -3.239 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.909 -8.106 -0.945 1.00 0.00 H new ATOM 0 HB3 SER A 19 -2.374 -6.508 -1.493 1.00 0.00 H new ATOM 0 HG SER A 19 -4.039 -8.845 -1.531 1.00 0.00 H new ATOM 238 N GLY A 20 -2.612 -5.945 -4.379 1.00 0.00 N ATOM 239 CA GLY A 20 -3.354 -5.136 -5.326 1.00 0.00 C ATOM 240 C GLY A 20 -4.652 -4.607 -4.747 1.00 0.00 C ATOM 241 O GLY A 20 -5.703 -4.685 -5.385 1.00 0.00 O ATOM 0 H GLY A 20 -1.801 -5.484 -3.967 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.735 -4.298 -5.646 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.571 -5.730 -6.214 1.00 0.00 H new ATOM 245 N TYR A 21 -4.577 -4.063 -3.542 1.00 0.00 N ATOM 246 CA TYR A 21 -5.742 -3.505 -2.865 1.00 0.00 C ATOM 247 C TYR A 21 -5.316 -2.291 -2.054 1.00 0.00 C ATOM 248 O TYR A 21 -5.267 -2.332 -0.822 1.00 0.00 O ATOM 249 CB TYR A 21 -6.409 -4.544 -1.954 1.00 0.00 C ATOM 250 CG TYR A 21 -7.705 -4.062 -1.326 1.00 0.00 C ATOM 251 CD1 TYR A 21 -8.732 -3.555 -2.112 1.00 0.00 C ATOM 252 CD2 TYR A 21 -7.901 -4.112 0.051 1.00 0.00 C ATOM 253 CE1 TYR A 21 -9.914 -3.110 -1.547 1.00 0.00 C ATOM 254 CE2 TYR A 21 -9.078 -3.668 0.620 1.00 0.00 C ATOM 255 CZ TYR A 21 -10.080 -3.170 -0.181 1.00 0.00 C ATOM 256 OH TYR A 21 -11.249 -2.724 0.393 1.00 0.00 O ATOM 0 H TYR A 21 -3.712 -3.995 -3.006 1.00 0.00 H new ATOM 0 HA TYR A 21 -6.473 -3.208 -3.617 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -6.609 -5.446 -2.532 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -5.713 -4.821 -1.162 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -8.606 -3.507 -3.184 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -7.120 -4.505 0.685 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -10.702 -2.718 -2.173 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -9.212 -3.711 1.691 1.00 0.00 H new ATOM 0 HH TYR A 21 -11.827 -3.489 0.594 1.00 0.00 H new ATOM 266 N CYS A 22 -4.984 -1.222 -2.759 1.00 0.00 N ATOM 267 CA CYS A 22 -4.537 0.013 -2.133 1.00 0.00 C ATOM 268 C CYS A 22 -5.659 0.698 -1.372 1.00 0.00 C ATOM 269 O CYS A 22 -6.257 1.654 -1.861 1.00 0.00 O ATOM 270 CB CYS A 22 -3.974 0.976 -3.177 1.00 0.00 C ATOM 271 SG CYS A 22 -2.347 0.511 -3.854 1.00 0.00 S ATOM 0 H CYS A 22 -5.016 -1.185 -3.778 1.00 0.00 H new ATOM 0 HA CYS A 22 -3.754 -0.256 -1.424 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -4.685 1.053 -4.000 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -3.895 1.967 -2.730 1.00 0.00 H new ATOM 276 N HIS A 23 -5.929 0.218 -0.167 1.00 0.00 N ATOM 277 CA HIS A 23 -6.956 0.803 0.669 1.00 0.00 C ATOM 278 C HIS A 23 -6.457 2.162 1.141 1.00 0.00 C ATOM 279 O HIS A 23 -5.699 2.257 2.108 1.00 0.00 O ATOM 280 CB HIS A 23 -7.264 -0.119 1.854 1.00 0.00 C ATOM 281 CG HIS A 23 -8.665 0.001 2.369 1.00 0.00 C ATOM 282 ND1 HIS A 23 -9.777 -0.107 1.560 1.00 0.00 N ATOM 283 CD2 HIS A 23 -9.135 0.185 3.625 1.00 0.00 C ATOM 284 CE1 HIS A 23 -10.866 0.003 2.294 1.00 0.00 C ATOM 285 NE2 HIS A 23 -10.506 0.181 3.549 1.00 0.00 N ATOM 0 H HIS A 23 -5.447 -0.578 0.251 1.00 0.00 H new ATOM 0 HA HIS A 23 -7.883 0.928 0.109 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -7.085 -1.152 1.554 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -6.569 0.103 2.664 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -8.543 0.311 4.519 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -11.881 -0.045 1.929 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -11.143 0.297 4.337 1.00 0.00 H new ATOM 294 N LYS A 24 -6.836 3.201 0.414 1.00 0.00 N ATOM 295 CA LYS A 24 -6.390 4.548 0.716 1.00 0.00 C ATOM 296 C LYS A 24 -7.519 5.545 0.482 1.00 0.00 C ATOM 297 O LYS A 24 -7.322 6.608 -0.103 1.00 0.00 O ATOM 298 CB LYS A 24 -5.164 4.889 -0.152 1.00 0.00 C ATOM 299 CG LYS A 24 -4.406 6.133 0.291 1.00 0.00 C ATOM 300 CD LYS A 24 -3.111 6.316 -0.491 1.00 0.00 C ATOM 301 CE LYS A 24 -2.342 7.541 -0.022 1.00 0.00 C ATOM 302 NZ LYS A 24 -3.052 8.809 -0.339 1.00 0.00 N ATOM 0 H LYS A 24 -7.455 3.134 -0.394 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.104 4.608 1.766 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.481 4.040 -0.144 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.491 5.025 -1.183 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.038 7.011 0.157 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.181 6.062 1.355 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.488 5.429 -0.377 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.337 6.412 -1.553 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.181 7.476 1.054 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.358 7.551 -0.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.439 9.617 -0.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.288 8.831 -1.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.926 8.867 0.222 1.00 0.00 H new ATOM 316 N GLN A 25 -8.708 5.197 0.957 1.00 0.00 N ATOM 317 CA GLN A 25 -9.867 6.070 0.816 1.00 0.00 C ATOM 318 C GLN A 25 -9.709 7.327 1.679 1.00 0.00 C ATOM 319 O GLN A 25 -9.824 8.438 1.164 1.00 0.00 O ATOM 320 CB GLN A 25 -11.164 5.333 1.162 1.00 0.00 C ATOM 321 CG GLN A 25 -11.521 4.227 0.185 1.00 0.00 C ATOM 322 CD GLN A 25 -12.601 3.315 0.724 1.00 0.00 C ATOM 323 OE1 GLN A 25 -12.407 2.644 1.739 1.00 0.00 O ATOM 324 NE2 GLN A 25 -13.745 3.291 0.064 1.00 0.00 N ATOM 0 H GLN A 25 -8.895 4.319 1.442 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.927 6.377 -0.228 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.073 4.907 2.161 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -11.982 6.053 1.196 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -11.856 4.668 -0.754 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.630 3.640 -0.038 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -13.863 3.863 -0.772 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -14.510 2.701 0.391 1.00 0.00 H new ATOM 333 N PRO A 26 -9.419 7.194 3.000 1.00 0.00 N ATOM 334 CA PRO A 26 -9.228 8.349 3.875 1.00 0.00 C ATOM 335 C PRO A 26 -7.976 9.128 3.492 1.00 0.00 C ATOM 336 O PRO A 26 -7.078 8.593 2.836 1.00 0.00 O ATOM 337 CB PRO A 26 -9.082 7.744 5.279 1.00 0.00 C ATOM 338 CG PRO A 26 -9.579 6.351 5.146 1.00 0.00 C ATOM 339 CD PRO A 26 -9.232 5.946 3.748 1.00 0.00 C ATOM 0 HA PRO A 26 -10.055 9.056 3.808 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -8.044 7.764 5.612 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -9.663 8.303 6.013 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -9.108 5.693 5.876 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -10.654 6.298 5.317 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -8.209 5.578 3.674 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -9.883 5.152 3.382 1.00 0.00 H new ATOM 347 N GLY A 27 -7.928 10.395 3.878 1.00 0.00 N ATOM 348 CA GLY A 27 -6.795 11.241 3.546 1.00 0.00 C ATOM 349 C GLY A 27 -5.523 10.927 4.322 1.00 0.00 C ATOM 350 O GLY A 27 -4.776 11.839 4.682 1.00 0.00 O ATOM 0 H GLY A 27 -8.659 10.857 4.419 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.588 11.147 2.480 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.069 12.280 3.727 1.00 0.00 H new ATOM 354 N TRP A 28 -5.242 9.649 4.554 1.00 0.00 N ATOM 355 CA TRP A 28 -4.024 9.269 5.254 1.00 0.00 C ATOM 356 C TRP A 28 -2.854 9.269 4.279 1.00 0.00 C ATOM 357 O TRP A 28 -3.039 9.073 3.075 1.00 0.00 O ATOM 358 CB TRP A 28 -4.159 7.919 5.978 1.00 0.00 C ATOM 359 CG TRP A 28 -4.689 6.786 5.149 1.00 0.00 C ATOM 360 CD1 TRP A 28 -4.428 6.518 3.839 1.00 0.00 C ATOM 361 CD2 TRP A 28 -5.561 5.745 5.602 1.00 0.00 C ATOM 362 NE1 TRP A 28 -5.093 5.383 3.447 1.00 0.00 N ATOM 363 CE2 TRP A 28 -5.794 4.891 4.511 1.00 0.00 C ATOM 364 CE3 TRP A 28 -6.168 5.456 6.824 1.00 0.00 C ATOM 365 CZ2 TRP A 28 -6.608 3.767 4.607 1.00 0.00 C ATOM 366 CZ3 TRP A 28 -6.976 4.341 6.918 1.00 0.00 C ATOM 367 CH2 TRP A 28 -7.189 3.508 5.814 1.00 0.00 C ATOM 0 H TRP A 28 -5.834 8.868 4.271 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.837 10.008 6.033 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -3.180 7.635 6.364 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -4.815 8.053 6.838 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.790 7.112 3.201 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.068 4.974 2.513 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -6.009 6.093 7.681 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -6.774 3.122 3.757 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -7.452 4.108 7.859 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -7.826 2.642 5.920 1.00 0.00 H new ATOM 378 N VAL A 29 -1.662 9.533 4.788 1.00 0.00 N ATOM 379 CA VAL A 29 -0.480 9.604 3.944 1.00 0.00 C ATOM 380 C VAL A 29 -0.136 8.258 3.296 1.00 0.00 C ATOM 381 O VAL A 29 0.151 8.203 2.103 1.00 0.00 O ATOM 382 CB VAL A 29 0.745 10.159 4.718 1.00 0.00 C ATOM 383 CG1 VAL A 29 1.044 9.336 5.961 1.00 0.00 C ATOM 384 CG2 VAL A 29 1.967 10.230 3.814 1.00 0.00 C ATOM 0 H VAL A 29 -1.487 9.701 5.779 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.726 10.300 3.142 1.00 0.00 H new ATOM 0 HB VAL A 29 0.496 11.169 5.044 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.908 9.756 6.476 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.181 9.355 6.626 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.258 8.307 5.673 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.814 10.622 4.377 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.206 9.232 3.446 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.757 10.887 2.970 1.00 0.00 H new ATOM 394 N ALA A 30 -0.143 7.177 4.061 1.00 0.00 N ATOM 395 CA ALA A 30 0.203 5.881 3.498 1.00 0.00 C ATOM 396 C ALA A 30 -0.994 4.950 3.348 1.00 0.00 C ATOM 397 O ALA A 30 -1.624 4.559 4.329 1.00 0.00 O ATOM 398 CB ALA A 30 1.282 5.214 4.338 1.00 0.00 C ATOM 0 H ALA A 30 -0.379 7.169 5.053 1.00 0.00 H new ATOM 0 HA ALA A 30 0.579 6.071 2.493 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.532 4.245 3.906 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.171 5.844 4.355 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.917 5.074 5.355 1.00 0.00 H new ATOM 404 N GLY A 31 -1.261 4.557 2.108 1.00 0.00 N ATOM 405 CA GLY A 31 -2.333 3.622 1.834 1.00 0.00 C ATOM 406 C GLY A 31 -1.812 2.212 1.979 1.00 0.00 C ATOM 407 O GLY A 31 -0.674 1.946 1.597 1.00 0.00 O ATOM 0 H GLY A 31 -0.750 4.872 1.284 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.162 3.789 2.522 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.719 3.778 0.827 1.00 0.00 H new ATOM 411 N TYR A 32 -2.596 1.319 2.556 1.00 0.00 N ATOM 412 CA TYR A 32 -2.137 -0.049 2.774 1.00 0.00 C ATOM 413 C TYR A 32 -3.043 -1.083 2.115 1.00 0.00 C ATOM 414 O TYR A 32 -4.223 -0.831 1.880 1.00 0.00 O ATOM 415 CB TYR A 32 -2.044 -0.323 4.283 1.00 0.00 C ATOM 416 CG TYR A 32 -3.367 -0.220 5.023 1.00 0.00 C ATOM 417 CD1 TYR A 32 -4.327 -1.221 4.918 1.00 0.00 C ATOM 418 CD2 TYR A 32 -3.657 0.883 5.815 1.00 0.00 C ATOM 419 CE1 TYR A 32 -5.534 -1.126 5.580 1.00 0.00 C ATOM 420 CE2 TYR A 32 -4.865 0.983 6.482 1.00 0.00 C ATOM 421 CZ TYR A 32 -5.800 -0.023 6.360 1.00 0.00 C ATOM 422 OH TYR A 32 -7.006 0.071 7.018 1.00 0.00 O ATOM 0 H TYR A 32 -3.544 1.509 2.880 1.00 0.00 H new ATOM 0 HA TYR A 32 -1.155 -0.143 2.310 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -1.634 -1.322 4.434 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.339 0.381 4.725 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -4.124 -2.088 4.307 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -2.929 1.675 5.912 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -6.267 -1.914 5.487 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -5.075 1.846 7.096 1.00 0.00 H new ATOM 0 HH TYR A 32 -7.037 0.908 7.526 1.00 0.00 H new ATOM 432 N CYS A 33 -2.491 -2.263 1.857 1.00 0.00 N ATOM 433 CA CYS A 33 -3.265 -3.350 1.280 1.00 0.00 C ATOM 434 C CYS A 33 -3.936 -4.124 2.405 1.00 0.00 C ATOM 435 O CYS A 33 -3.273 -4.710 3.259 1.00 0.00 O ATOM 436 CB CYS A 33 -2.388 -4.263 0.418 1.00 0.00 C ATOM 437 SG CYS A 33 -2.357 -3.783 -1.342 1.00 0.00 S ATOM 0 H CYS A 33 -1.513 -2.489 2.038 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.029 -2.939 0.620 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.370 -4.252 0.808 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.750 -5.288 0.502 1.00 0.00 H new ATOM 442 N ARG A 34 -5.254 -4.067 2.430 1.00 0.00 N ATOM 443 CA ARG A 34 -6.038 -4.705 3.480 1.00 0.00 C ATOM 444 C ARG A 34 -6.434 -6.143 3.126 1.00 0.00 C ATOM 445 O ARG A 34 -7.592 -6.529 3.289 1.00 0.00 O ATOM 446 CB ARG A 34 -7.282 -3.856 3.736 1.00 0.00 C ATOM 447 CG ARG A 34 -7.950 -4.109 5.073 1.00 0.00 C ATOM 448 CD ARG A 34 -9.208 -3.274 5.215 1.00 0.00 C ATOM 449 NE ARG A 34 -10.218 -3.630 4.219 1.00 0.00 N ATOM 450 CZ ARG A 34 -11.445 -3.115 4.181 1.00 0.00 C ATOM 451 NH1 ARG A 34 -11.824 -2.212 5.078 1.00 0.00 N ATOM 452 NH2 ARG A 34 -12.287 -3.502 3.235 1.00 0.00 N ATOM 0 H ARG A 34 -5.813 -3.581 1.729 1.00 0.00 H new ATOM 0 HA ARG A 34 -5.425 -4.769 4.379 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -7.007 -2.803 3.675 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -8.004 -4.043 2.942 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -8.198 -5.166 5.166 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -7.258 -3.872 5.881 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -9.621 -3.409 6.215 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -8.956 -2.218 5.114 1.00 0.00 H new ATOM 0 HE ARG A 34 -9.966 -4.317 3.508 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -11.173 -1.909 5.802 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -12.766 -1.822 5.042 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -11.994 -4.190 2.542 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -13.229 -3.112 3.200 1.00 0.00 H new ATOM 466 N ARG A 35 -5.471 -6.932 2.660 1.00 0.00 N ATOM 467 CA ARG A 35 -5.720 -8.331 2.303 1.00 0.00 C ATOM 468 C ARG A 35 -4.427 -9.015 1.864 1.00 0.00 C ATOM 469 O ARG A 35 -3.345 -8.687 2.352 1.00 0.00 O ATOM 470 CB ARG A 35 -6.776 -8.444 1.189 1.00 0.00 C ATOM 471 CG ARG A 35 -6.512 -7.547 -0.010 1.00 0.00 C ATOM 472 CD ARG A 35 -7.347 -7.952 -1.213 1.00 0.00 C ATOM 473 NE ARG A 35 -6.862 -9.185 -1.838 1.00 0.00 N ATOM 474 CZ ARG A 35 -7.450 -9.778 -2.876 1.00 0.00 C ATOM 475 NH1 ARG A 35 -8.530 -9.241 -3.428 1.00 0.00 N ATOM 476 NH2 ARG A 35 -6.941 -10.898 -3.374 1.00 0.00 N ATOM 0 H ARG A 35 -4.507 -6.629 2.519 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.103 -8.833 3.192 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -6.823 -9.479 0.851 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -7.754 -8.199 1.604 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -6.733 -6.513 0.254 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.454 -7.590 -0.270 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.383 -8.088 -0.904 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.336 -7.147 -1.947 1.00 0.00 H new ATOM 0 HE ARG A 35 -6.021 -9.617 -1.454 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -8.913 -8.371 -3.058 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -8.977 -9.698 -4.223 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -6.101 -11.304 -2.962 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -7.390 -11.353 -4.169 1.00 0.00 H new ATOM 490 N LYS A 36 -4.554 -9.958 0.938 1.00 0.00 N ATOM 491 CA LYS A 36 -3.420 -10.694 0.410 1.00 0.00 C ATOM 492 C LYS A 36 -3.784 -11.227 -0.973 1.00 0.00 C ATOM 493 O LYS A 36 -4.382 -10.457 -1.753 1.00 0.00 O ATOM 494 CB LYS A 36 -3.038 -11.840 1.357 1.00 0.00 C ATOM 495 CG LYS A 36 -1.699 -12.488 1.039 1.00 0.00 C ATOM 496 CD LYS A 36 -0.570 -11.471 1.028 1.00 0.00 C ATOM 497 CE LYS A 36 0.770 -12.137 0.771 1.00 0.00 C ATOM 498 NZ LYS A 36 1.093 -13.144 1.816 1.00 0.00 N ATOM 499 OXT LYS A 36 -3.495 -12.402 -1.278 1.00 0.00 O ATOM 0 H LYS A 36 -5.450 -10.232 0.534 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.556 -10.034 0.326 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.012 -11.460 2.378 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -3.816 -12.602 1.320 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.485 -13.261 1.777 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.755 -12.980 0.068 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.760 -10.722 0.259 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.541 -10.947 1.983 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.755 -12.619 -0.207 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.553 -11.379 0.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.083 -13.029 2.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.466 -13.008 2.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.957 -14.100 1.431 1.00 0.00 H new