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 180:sc= 0 USER MOD Set 1.2: A 23 HIS : no HD1:sc= -1 K(o=-1,f=-0.25) USER MOD Single : A 1 CYS N :NH3+ 139:sc= 0.469 (180deg=0.0991) USER MOD Single : A 3 LYS NZ :NH3+ -131:sc= 0.196 (180deg=-0.159) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 6 ASN : amide:sc= -1.75! K(o=-1.8!,f=-0.3) USER MOD Single : A 9 GLN : amide:sc= 0.551 K(o=0.55,f=-8.1!) USER MOD Single : A 11 ASN : amide:sc= -0.0277 K(o=-0.028,f=0.65) USER MOD Single : A 13 SER OG : rot 160:sc= -2.39! USER MOD Single : A 14 GLN : amide:sc= -0.525 K(o=-0.53,f=-1.7) USER MOD Single : A 16 ASN : amide:sc= -0.0226 K(o=-0.023,f=-2.5!) USER MOD Single : A 19 SER OG : rot -57:sc= 0.0969 USER MOD Single : A 24 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0618) USER MOD Single : A 25 GLN : amide:sc= -1.16! K(o=-1.2!,f=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00265) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 4.949 -10.381 -0.635 1.00 0.00 N ATOM 2 CA CYS A 1 4.377 -9.024 -0.480 1.00 0.00 C ATOM 3 C CYS A 1 3.091 -9.076 0.336 1.00 0.00 C ATOM 4 O CYS A 1 2.766 -10.108 0.928 1.00 0.00 O ATOM 5 CB CYS A 1 4.060 -8.457 -1.866 1.00 0.00 C ATOM 6 SG CYS A 1 5.401 -8.593 -3.088 1.00 0.00 S ATOM 0 H1 CYS A 1 5.303 -10.500 -1.606 1.00 0.00 H new ATOM 0 H2 CYS A 1 5.732 -10.506 0.037 1.00 0.00 H new ATOM 0 H3 CYS A 1 4.213 -11.091 -0.446 1.00 0.00 H new ATOM 0 HA CYS A 1 5.100 -8.393 0.036 1.00 0.00 H new ATOM 0 HB2 CYS A 1 3.181 -8.969 -2.257 1.00 0.00 H new ATOM 0 HB3 CYS A 1 3.795 -7.405 -1.758 1.00 0.00 H new ATOM 13 N ILE A 2 2.359 -7.960 0.327 1.00 0.00 N ATOM 14 CA ILE A 2 1.082 -7.826 1.024 1.00 0.00 C ATOM 15 C ILE A 2 1.237 -7.797 2.539 1.00 0.00 C ATOM 16 O ILE A 2 1.720 -8.745 3.157 1.00 0.00 O ATOM 17 CB ILE A 2 0.092 -8.946 0.640 1.00 0.00 C ATOM 18 CG1 ILE A 2 -0.212 -8.892 -0.855 1.00 0.00 C ATOM 19 CG2 ILE A 2 -1.195 -8.831 1.450 1.00 0.00 C ATOM 20 CD1 ILE A 2 -1.111 -10.013 -1.319 1.00 0.00 C ATOM 0 H ILE A 2 2.641 -7.115 -0.171 1.00 0.00 H new ATOM 0 HA ILE A 2 0.680 -6.866 0.701 1.00 0.00 H new ATOM 0 HB ILE A 2 0.553 -9.907 0.869 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -0.682 -7.937 -1.090 1.00 0.00 H new ATOM 0 HG13 ILE A 2 0.724 -8.932 -1.411 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -1.878 -9.630 1.163 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -0.965 -8.914 2.512 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -1.663 -7.866 1.255 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.289 -9.917 -2.390 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -0.633 -10.971 -1.115 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -2.061 -9.961 -0.788 1.00 0.00 H new ATOM 32 N LYS A 3 0.774 -6.701 3.119 1.00 0.00 N ATOM 33 CA LYS A 3 0.786 -6.490 4.556 1.00 0.00 C ATOM 34 C LYS A 3 -0.366 -5.561 4.895 1.00 0.00 C ATOM 35 O LYS A 3 -0.441 -4.448 4.370 1.00 0.00 O ATOM 36 CB LYS A 3 2.112 -5.878 5.029 1.00 0.00 C ATOM 37 CG LYS A 3 3.293 -6.839 5.002 1.00 0.00 C ATOM 38 CD LYS A 3 3.095 -8.000 5.965 1.00 0.00 C ATOM 39 CE LYS A 3 4.268 -8.968 5.928 1.00 0.00 C ATOM 40 NZ LYS A 3 4.422 -9.616 4.596 1.00 0.00 N ATOM 0 H LYS A 3 0.374 -5.922 2.596 1.00 0.00 H new ATOM 0 HA LYS A 3 0.679 -7.449 5.063 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.345 -5.017 4.402 1.00 0.00 H new ATOM 0 HB3 LYS A 3 1.985 -5.507 6.046 1.00 0.00 H new ATOM 0 HG2 LYS A 3 3.426 -7.223 3.991 1.00 0.00 H new ATOM 0 HG3 LYS A 3 4.205 -6.302 5.262 1.00 0.00 H new ATOM 0 HD2 LYS A 3 2.972 -7.616 6.978 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.177 -8.531 5.712 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.185 -8.435 6.179 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.128 -9.735 6.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.520 -10.644 4.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.584 -9.415 4.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 5.270 -9.242 4.124 1.00 0.00 H new ATOM 54 N ASN A 4 -1.271 -6.024 5.742 1.00 0.00 N ATOM 55 CA ASN A 4 -2.441 -5.238 6.125 1.00 0.00 C ATOM 56 C ASN A 4 -2.070 -4.161 7.139 1.00 0.00 C ATOM 57 O ASN A 4 -2.576 -4.135 8.261 1.00 0.00 O ATOM 58 CB ASN A 4 -3.547 -6.148 6.670 1.00 0.00 C ATOM 59 CG ASN A 4 -4.026 -7.155 5.636 1.00 0.00 C ATOM 60 OD1 ASN A 4 -4.384 -6.795 4.515 1.00 0.00 O ATOM 61 ND2 ASN A 4 -4.046 -8.425 6.007 1.00 0.00 N ATOM 0 H ASN A 4 -1.221 -6.943 6.181 1.00 0.00 H new ATOM 0 HA ASN A 4 -2.820 -4.738 5.234 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -3.178 -6.679 7.548 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -4.389 -5.538 6.997 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -4.366 -9.142 5.355 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -3.742 -8.687 6.945 1.00 0.00 H new ATOM 68 N GLY A 5 -1.176 -3.276 6.731 1.00 0.00 N ATOM 69 CA GLY A 5 -0.733 -2.205 7.593 1.00 0.00 C ATOM 70 C GLY A 5 0.338 -1.364 6.935 1.00 0.00 C ATOM 71 O GLY A 5 0.336 -0.139 7.050 1.00 0.00 O ATOM 0 H GLY A 5 -0.745 -3.282 5.806 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -1.582 -1.574 7.855 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -0.348 -2.622 8.523 1.00 0.00 H new ATOM 75 N ASN A 6 1.252 -2.029 6.237 1.00 0.00 N ATOM 76 CA ASN A 6 2.342 -1.345 5.546 1.00 0.00 C ATOM 77 C ASN A 6 1.804 -0.441 4.450 1.00 0.00 C ATOM 78 O ASN A 6 0.920 -0.836 3.686 1.00 0.00 O ATOM 79 CB ASN A 6 3.327 -2.353 4.954 1.00 0.00 C ATOM 80 CG ASN A 6 4.194 -3.024 6.005 1.00 0.00 C ATOM 81 OD1 ASN A 6 4.988 -3.911 5.692 1.00 0.00 O ATOM 82 ND2 ASN A 6 4.062 -2.604 7.252 1.00 0.00 N ATOM 0 H ASN A 6 1.261 -3.044 6.134 1.00 0.00 H new ATOM 0 HA ASN A 6 2.867 -0.732 6.278 1.00 0.00 H new ATOM 0 HB2 ASN A 6 2.773 -3.116 4.407 1.00 0.00 H new ATOM 0 HB3 ASN A 6 3.968 -1.846 4.232 1.00 0.00 H new ATOM 0 HD21 ASN A 6 4.629 -3.018 7.992 1.00 0.00 H new ATOM 0 HD22 ASN A 6 3.393 -1.866 7.474 1.00 0.00 H new ATOM 89 N GLY A 7 2.332 0.773 4.392 1.00 0.00 N ATOM 90 CA GLY A 7 1.891 1.731 3.404 1.00 0.00 C ATOM 91 C GLY A 7 2.314 1.377 1.995 1.00 0.00 C ATOM 92 O GLY A 7 3.493 1.470 1.641 1.00 0.00 O ATOM 0 H GLY A 7 3.063 1.112 5.017 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.804 1.807 3.441 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.288 2.714 3.659 1.00 0.00 H new ATOM 96 N CYS A 8 1.342 1.000 1.183 1.00 0.00 N ATOM 97 CA CYS A 8 1.582 0.663 -0.207 1.00 0.00 C ATOM 98 C CYS A 8 1.569 1.929 -1.048 1.00 0.00 C ATOM 99 O CYS A 8 2.359 2.085 -1.976 1.00 0.00 O ATOM 100 CB CYS A 8 0.533 -0.336 -0.713 1.00 0.00 C ATOM 101 SG CYS A 8 -1.176 0.036 -0.197 1.00 0.00 S ATOM 0 H CYS A 8 0.366 0.919 1.469 1.00 0.00 H new ATOM 0 HA CYS A 8 2.560 0.190 -0.293 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.572 -0.364 -1.802 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.798 -1.332 -0.358 1.00 0.00 H new ATOM 106 N GLN A 9 0.669 2.839 -0.704 1.00 0.00 N ATOM 107 CA GLN A 9 0.544 4.104 -1.411 1.00 0.00 C ATOM 108 C GLN A 9 0.693 5.265 -0.423 1.00 0.00 C ATOM 109 O GLN A 9 -0.295 5.861 0.007 1.00 0.00 O ATOM 110 CB GLN A 9 -0.811 4.168 -2.123 1.00 0.00 C ATOM 111 CG GLN A 9 -0.773 4.855 -3.482 1.00 0.00 C ATOM 112 CD GLN A 9 -0.415 6.323 -3.397 1.00 0.00 C ATOM 113 OE1 GLN A 9 0.694 6.683 -3.010 1.00 0.00 O ATOM 114 NE2 GLN A 9 -1.356 7.181 -3.753 1.00 0.00 N ATOM 0 H GLN A 9 0.011 2.723 0.066 1.00 0.00 H new ATOM 0 HA GLN A 9 1.332 4.183 -2.160 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -1.189 3.154 -2.252 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -1.520 4.693 -1.483 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -0.049 4.347 -4.119 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -1.746 4.752 -3.962 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -2.264 6.840 -4.069 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -1.174 8.184 -3.712 1.00 0.00 H new ATOM 123 N PRO A 10 1.937 5.569 -0.018 1.00 0.00 N ATOM 124 CA PRO A 10 2.237 6.629 0.945 1.00 0.00 C ATOM 125 C PRO A 10 2.202 8.039 0.353 1.00 0.00 C ATOM 126 O PRO A 10 1.678 8.961 0.980 1.00 0.00 O ATOM 127 CB PRO A 10 3.661 6.300 1.425 1.00 0.00 C ATOM 128 CG PRO A 10 4.024 5.001 0.778 1.00 0.00 C ATOM 129 CD PRO A 10 3.156 4.883 -0.436 1.00 0.00 C ATOM 0 HA PRO A 10 1.486 6.647 1.734 1.00 0.00 H new ATOM 0 HB2 PRO A 10 4.360 7.086 1.141 1.00 0.00 H new ATOM 0 HB3 PRO A 10 3.698 6.219 2.511 1.00 0.00 H new ATOM 0 HG2 PRO A 10 5.079 4.983 0.505 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.857 4.167 1.459 1.00 0.00 H new ATOM 0 HD2 PRO A 10 3.610 5.356 -1.307 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.966 3.843 -0.700 1.00 0.00 H new ATOM 137 N ASN A 11 2.790 8.222 -0.828 1.00 0.00 N ATOM 138 CA ASN A 11 2.841 9.548 -1.445 1.00 0.00 C ATOM 139 C ASN A 11 3.060 9.485 -2.957 1.00 0.00 C ATOM 140 O ASN A 11 3.979 10.103 -3.496 1.00 0.00 O ATOM 141 CB ASN A 11 3.930 10.403 -0.778 1.00 0.00 C ATOM 142 CG ASN A 11 5.262 9.682 -0.648 1.00 0.00 C ATOM 143 OD1 ASN A 11 5.950 9.424 -1.637 1.00 0.00 O ATOM 144 ND2 ASN A 11 5.633 9.353 0.577 1.00 0.00 N ATOM 0 H ASN A 11 3.232 7.481 -1.371 1.00 0.00 H new ATOM 0 HA ASN A 11 1.868 10.014 -1.286 1.00 0.00 H new ATOM 0 HB2 ASN A 11 4.073 11.315 -1.358 1.00 0.00 H new ATOM 0 HB3 ASN A 11 3.590 10.705 0.212 1.00 0.00 H new ATOM 0 HD21 ASN A 11 6.517 8.868 0.729 1.00 0.00 H new ATOM 0 HD22 ASN A 11 5.035 9.584 1.370 1.00 0.00 H new ATOM 151 N GLY A 12 2.190 8.759 -3.636 1.00 0.00 N ATOM 152 CA GLY A 12 2.270 8.646 -5.079 1.00 0.00 C ATOM 153 C GLY A 12 3.389 7.746 -5.558 1.00 0.00 C ATOM 154 O GLY A 12 4.031 8.029 -6.568 1.00 0.00 O ATOM 0 H GLY A 12 1.422 8.240 -3.211 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.322 8.265 -5.458 1.00 0.00 H new ATOM 0 HA3 GLY A 12 2.407 9.640 -5.505 1.00 0.00 H new ATOM 158 N SER A 13 3.617 6.650 -4.857 1.00 0.00 N ATOM 159 CA SER A 13 4.656 5.711 -5.249 1.00 0.00 C ATOM 160 C SER A 13 4.038 4.527 -5.989 1.00 0.00 C ATOM 161 O SER A 13 4.466 3.382 -5.822 1.00 0.00 O ATOM 162 CB SER A 13 5.423 5.239 -4.015 1.00 0.00 C ATOM 163 OG SER A 13 4.534 4.774 -3.017 1.00 0.00 O ATOM 0 H SER A 13 3.101 6.388 -4.017 1.00 0.00 H new ATOM 0 HA SER A 13 5.356 6.208 -5.921 1.00 0.00 H new ATOM 0 HB2 SER A 13 6.113 4.442 -4.293 1.00 0.00 H new ATOM 0 HB3 SER A 13 6.024 6.058 -3.620 1.00 0.00 H new ATOM 0 HG SER A 13 5.018 4.195 -2.391 1.00 0.00 H new ATOM 169 N GLN A 14 3.014 4.834 -6.793 1.00 0.00 N ATOM 170 CA GLN A 14 2.267 3.845 -7.581 1.00 0.00 C ATOM 171 C GLN A 14 1.421 2.947 -6.680 1.00 0.00 C ATOM 172 O GLN A 14 0.196 2.907 -6.798 1.00 0.00 O ATOM 173 CB GLN A 14 3.199 2.995 -8.454 1.00 0.00 C ATOM 174 CG GLN A 14 4.006 3.792 -9.470 1.00 0.00 C ATOM 175 CD GLN A 14 3.145 4.680 -10.350 1.00 0.00 C ATOM 176 OE1 GLN A 14 2.608 5.691 -9.899 1.00 0.00 O ATOM 177 NE2 GLN A 14 3.004 4.310 -11.609 1.00 0.00 N ATOM 0 H GLN A 14 2.676 5.788 -6.917 1.00 0.00 H new ATOM 0 HA GLN A 14 1.601 4.400 -8.241 1.00 0.00 H new ATOM 0 HB2 GLN A 14 3.887 2.451 -7.807 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.604 2.251 -8.983 1.00 0.00 H new ATOM 0 HG2 GLN A 14 4.734 4.409 -8.943 1.00 0.00 H new ATOM 0 HG3 GLN A 14 4.569 3.103 -10.100 1.00 0.00 H new ATOM 0 HE21 GLN A 14 3.465 3.465 -11.947 1.00 0.00 H new ATOM 0 HE22 GLN A 14 2.434 4.869 -12.244 1.00 0.00 H new ATOM 186 N GLY A 15 2.074 2.242 -5.775 1.00 0.00 N ATOM 187 CA GLY A 15 1.377 1.367 -4.864 1.00 0.00 C ATOM 188 C GLY A 15 2.244 0.211 -4.426 1.00 0.00 C ATOM 189 O GLY A 15 3.452 0.376 -4.228 1.00 0.00 O ATOM 0 H GLY A 15 3.087 2.261 -5.655 1.00 0.00 H new ATOM 0 HA2 GLY A 15 1.056 1.933 -3.989 1.00 0.00 H new ATOM 0 HA3 GLY A 15 0.476 0.985 -5.344 1.00 0.00 H new ATOM 193 N ASN A 16 1.635 -0.958 -4.294 1.00 0.00 N ATOM 194 CA ASN A 16 2.343 -2.168 -3.894 1.00 0.00 C ATOM 195 C ASN A 16 1.365 -3.337 -3.920 1.00 0.00 C ATOM 196 O ASN A 16 0.549 -3.428 -4.835 1.00 0.00 O ATOM 197 CB ASN A 16 2.956 -2.007 -2.494 1.00 0.00 C ATOM 198 CG ASN A 16 4.259 -2.771 -2.337 1.00 0.00 C ATOM 199 OD1 ASN A 16 4.320 -3.977 -2.575 1.00 0.00 O ATOM 200 ND2 ASN A 16 5.304 -2.077 -1.916 1.00 0.00 N ATOM 0 H ASN A 16 0.638 -1.096 -4.460 1.00 0.00 H new ATOM 0 HA ASN A 16 3.161 -2.356 -4.590 1.00 0.00 H new ATOM 0 HB2 ASN A 16 3.133 -0.949 -2.298 1.00 0.00 H new ATOM 0 HB3 ASN A 16 2.243 -2.355 -1.747 1.00 0.00 H new ATOM 0 HD21 ASN A 16 6.202 -2.541 -1.778 1.00 0.00 H new ATOM 0 HD22 ASN A 16 5.212 -1.078 -1.730 1.00 0.00 H new ATOM 207 N CYS A 17 1.436 -4.217 -2.919 1.00 0.00 N ATOM 208 CA CYS A 17 0.546 -5.374 -2.835 1.00 0.00 C ATOM 209 C CYS A 17 0.627 -6.184 -4.127 1.00 0.00 C ATOM 210 O CYS A 17 -0.346 -6.269 -4.879 1.00 0.00 O ATOM 211 CB CYS A 17 -0.902 -4.940 -2.577 1.00 0.00 C ATOM 212 SG CYS A 17 -1.088 -3.499 -1.462 1.00 0.00 S ATOM 0 H CYS A 17 2.105 -4.148 -2.152 1.00 0.00 H new ATOM 0 HA CYS A 17 0.868 -5.993 -1.998 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.371 -4.705 -3.532 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -1.448 -5.782 -2.153 1.00 0.00 H new ATOM 217 N CYS A 18 1.816 -6.732 -4.379 1.00 0.00 N ATOM 218 CA CYS A 18 2.123 -7.511 -5.587 1.00 0.00 C ATOM 219 C CYS A 18 0.974 -8.416 -6.053 1.00 0.00 C ATOM 220 O CYS A 18 0.739 -8.550 -7.255 1.00 0.00 O ATOM 221 CB CYS A 18 3.378 -8.351 -5.342 1.00 0.00 C ATOM 222 SG CYS A 18 4.764 -7.413 -4.615 1.00 0.00 S ATOM 0 H CYS A 18 2.608 -6.648 -3.742 1.00 0.00 H new ATOM 0 HA CYS A 18 2.285 -6.791 -6.389 1.00 0.00 H new ATOM 0 HB2 CYS A 18 3.126 -9.179 -4.680 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.703 -8.786 -6.287 1.00 0.00 H new ATOM 227 N SER A 19 0.260 -9.032 -5.121 1.00 0.00 N ATOM 228 CA SER A 19 -0.847 -9.908 -5.480 1.00 0.00 C ATOM 229 C SER A 19 -2.025 -9.674 -4.539 1.00 0.00 C ATOM 230 O SER A 19 -2.639 -10.617 -4.031 1.00 0.00 O ATOM 231 CB SER A 19 -0.397 -11.375 -5.432 1.00 0.00 C ATOM 232 OG SER A 19 -1.343 -12.233 -6.055 1.00 0.00 O ATOM 0 H SER A 19 0.425 -8.943 -4.118 1.00 0.00 H new ATOM 0 HA SER A 19 -1.166 -9.680 -6.497 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.569 -11.476 -5.927 1.00 0.00 H new ATOM 0 HB3 SER A 19 -0.257 -11.679 -4.395 1.00 0.00 H new ATOM 0 HG SER A 19 -2.217 -12.122 -5.626 1.00 0.00 H new ATOM 238 N GLY A 20 -2.335 -8.406 -4.306 1.00 0.00 N ATOM 239 CA GLY A 20 -3.431 -8.071 -3.424 1.00 0.00 C ATOM 240 C GLY A 20 -4.139 -6.801 -3.836 1.00 0.00 C ATOM 241 O GLY A 20 -4.379 -6.572 -5.023 1.00 0.00 O ATOM 0 H GLY A 20 -1.848 -7.607 -4.711 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.146 -8.893 -3.410 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.054 -7.959 -2.407 1.00 0.00 H new ATOM 245 N TYR A 21 -4.491 -5.985 -2.856 1.00 0.00 N ATOM 246 CA TYR A 21 -5.200 -4.743 -3.112 1.00 0.00 C ATOM 247 C TYR A 21 -4.751 -3.642 -2.156 1.00 0.00 C ATOM 248 O TYR A 21 -4.851 -3.784 -0.936 1.00 0.00 O ATOM 249 CB TYR A 21 -6.706 -4.989 -2.966 1.00 0.00 C ATOM 250 CG TYR A 21 -7.552 -3.736 -2.915 1.00 0.00 C ATOM 251 CD1 TYR A 21 -7.556 -2.820 -3.960 1.00 0.00 C ATOM 252 CD2 TYR A 21 -8.351 -3.474 -1.810 1.00 0.00 C ATOM 253 CE1 TYR A 21 -8.334 -1.679 -3.905 1.00 0.00 C ATOM 254 CE2 TYR A 21 -9.131 -2.337 -1.747 1.00 0.00 C ATOM 255 CZ TYR A 21 -9.120 -1.444 -2.796 1.00 0.00 C ATOM 256 OH TYR A 21 -9.898 -0.310 -2.731 1.00 0.00 O ATOM 0 H TYR A 21 -4.296 -6.162 -1.871 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.974 -4.412 -4.126 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -7.042 -5.603 -3.801 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -6.879 -5.565 -2.057 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -6.941 -3.003 -4.829 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -8.362 -4.172 -0.986 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -8.327 -0.976 -4.725 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -9.747 -2.148 -0.880 1.00 0.00 H new ATOM 0 HH TYR A 21 -10.390 -0.299 -1.883 1.00 0.00 H new ATOM 266 N CYS A 22 -4.276 -2.545 -2.725 1.00 0.00 N ATOM 267 CA CYS A 22 -3.834 -1.399 -1.946 1.00 0.00 C ATOM 268 C CYS A 22 -5.037 -0.508 -1.658 1.00 0.00 C ATOM 269 O CYS A 22 -5.676 -0.001 -2.581 1.00 0.00 O ATOM 270 CB CYS A 22 -2.756 -0.628 -2.720 1.00 0.00 C ATOM 271 SG CYS A 22 -2.062 0.818 -1.848 1.00 0.00 S ATOM 0 H CYS A 22 -4.186 -2.424 -3.734 1.00 0.00 H new ATOM 0 HA CYS A 22 -3.401 -1.730 -1.002 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -1.943 -1.313 -2.960 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -3.180 -0.293 -3.667 1.00 0.00 H new ATOM 276 N HIS A 23 -5.363 -0.335 -0.387 1.00 0.00 N ATOM 277 CA HIS A 23 -6.507 0.479 -0.010 1.00 0.00 C ATOM 278 C HIS A 23 -6.067 1.843 0.502 1.00 0.00 C ATOM 279 O HIS A 23 -5.287 1.946 1.448 1.00 0.00 O ATOM 280 CB HIS A 23 -7.354 -0.251 1.041 1.00 0.00 C ATOM 281 CG HIS A 23 -8.550 0.521 1.515 1.00 0.00 C ATOM 282 ND1 HIS A 23 -9.405 1.191 0.668 1.00 0.00 N ATOM 283 CD2 HIS A 23 -9.043 0.707 2.762 1.00 0.00 C ATOM 284 CE1 HIS A 23 -10.369 1.753 1.371 1.00 0.00 C ATOM 285 NE2 HIS A 23 -10.173 1.475 2.643 1.00 0.00 N ATOM 0 H HIS A 23 -4.855 -0.745 0.397 1.00 0.00 H new ATOM 0 HA HIS A 23 -7.118 0.641 -0.898 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -7.691 -1.200 0.624 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -6.724 -0.486 1.899 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -8.624 0.322 3.680 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -11.181 2.342 0.971 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -10.766 1.781 3.415 1.00 0.00 H new ATOM 294 N LYS A 24 -6.587 2.886 -0.126 1.00 0.00 N ATOM 295 CA LYS A 24 -6.270 4.251 0.254 1.00 0.00 C ATOM 296 C LYS A 24 -7.510 5.126 0.123 1.00 0.00 C ATOM 297 O LYS A 24 -8.263 5.007 -0.840 1.00 0.00 O ATOM 298 CB LYS A 24 -5.138 4.799 -0.622 1.00 0.00 C ATOM 299 CG LYS A 24 -4.568 6.122 -0.133 1.00 0.00 C ATOM 300 CD LYS A 24 -3.453 6.619 -1.039 1.00 0.00 C ATOM 301 CE LYS A 24 -2.771 7.856 -0.472 1.00 0.00 C ATOM 302 NZ LYS A 24 -3.713 8.994 -0.315 1.00 0.00 N ATOM 0 H LYS A 24 -7.237 2.810 -0.909 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.938 4.260 1.292 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.336 4.062 -0.665 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.508 4.927 -1.639 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.362 6.867 -0.090 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.188 6.002 0.881 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.716 5.828 -1.175 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.860 6.848 -2.024 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.331 7.615 0.496 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.953 8.151 -1.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.187 9.842 -0.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.190 9.177 -1.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.422 8.760 0.409 1.00 0.00 H new ATOM 316 N GLN A 25 -7.716 5.994 1.101 1.00 0.00 N ATOM 317 CA GLN A 25 -8.863 6.890 1.113 1.00 0.00 C ATOM 318 C GLN A 25 -8.538 8.111 1.963 1.00 0.00 C ATOM 319 O GLN A 25 -7.681 8.035 2.848 1.00 0.00 O ATOM 320 CB GLN A 25 -10.107 6.171 1.652 1.00 0.00 C ATOM 321 CG GLN A 25 -9.963 5.673 3.081 1.00 0.00 C ATOM 322 CD GLN A 25 -11.180 4.907 3.569 1.00 0.00 C ATOM 323 OE1 GLN A 25 -11.192 4.388 4.685 1.00 0.00 O ATOM 324 NE2 GLN A 25 -12.216 4.834 2.748 1.00 0.00 N ATOM 0 H GLN A 25 -7.097 6.098 1.905 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.079 7.209 0.093 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.958 6.850 1.599 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -10.334 5.324 1.004 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -9.085 5.031 3.149 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -9.788 6.523 3.740 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.171 5.276 1.830 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -13.059 4.336 3.034 1.00 0.00 H new ATOM 333 N PRO A 26 -9.191 9.255 1.693 1.00 0.00 N ATOM 334 CA PRO A 26 -8.953 10.502 2.429 1.00 0.00 C ATOM 335 C PRO A 26 -9.071 10.321 3.939 1.00 0.00 C ATOM 336 O PRO A 26 -10.134 9.969 4.457 1.00 0.00 O ATOM 337 CB PRO A 26 -10.049 11.451 1.917 1.00 0.00 C ATOM 338 CG PRO A 26 -11.002 10.593 1.152 1.00 0.00 C ATOM 339 CD PRO A 26 -10.198 9.435 0.641 1.00 0.00 C ATOM 0 HA PRO A 26 -7.942 10.875 2.264 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -10.551 11.952 2.745 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -9.627 12.230 1.282 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -11.817 10.251 1.790 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -11.453 11.148 0.329 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -10.810 8.543 0.509 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -9.741 9.653 -0.324 1.00 0.00 H new ATOM 347 N GLY A 27 -7.968 10.559 4.632 1.00 0.00 N ATOM 348 CA GLY A 27 -7.936 10.423 6.073 1.00 0.00 C ATOM 349 C GLY A 27 -6.546 10.084 6.562 1.00 0.00 C ATOM 350 O GLY A 27 -5.940 10.840 7.323 1.00 0.00 O ATOM 0 H GLY A 27 -7.083 10.848 4.215 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.270 11.352 6.536 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.633 9.644 6.382 1.00 0.00 H new ATOM 354 N TRP A 28 -6.027 8.954 6.103 1.00 0.00 N ATOM 355 CA TRP A 28 -4.689 8.525 6.478 1.00 0.00 C ATOM 356 C TRP A 28 -3.677 9.008 5.446 1.00 0.00 C ATOM 357 O TRP A 28 -4.043 9.339 4.315 1.00 0.00 O ATOM 358 CB TRP A 28 -4.626 7.003 6.662 1.00 0.00 C ATOM 359 CG TRP A 28 -5.049 6.207 5.465 1.00 0.00 C ATOM 360 CD1 TRP A 28 -4.555 6.304 4.200 1.00 0.00 C ATOM 361 CD2 TRP A 28 -6.050 5.188 5.427 1.00 0.00 C ATOM 362 NE1 TRP A 28 -5.181 5.403 3.375 1.00 0.00 N ATOM 363 CE2 TRP A 28 -6.106 4.707 4.107 1.00 0.00 C ATOM 364 CE3 TRP A 28 -6.903 4.634 6.384 1.00 0.00 C ATOM 365 CZ2 TRP A 28 -6.981 3.697 3.721 1.00 0.00 C ATOM 366 CZ3 TRP A 28 -7.772 3.633 5.999 1.00 0.00 C ATOM 367 CH2 TRP A 28 -7.805 3.173 4.678 1.00 0.00 C ATOM 0 H TRP A 28 -6.513 8.318 5.470 1.00 0.00 H new ATOM 0 HA TRP A 28 -4.436 8.973 7.439 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -3.605 6.725 6.923 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -5.258 6.727 7.506 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.782 6.991 3.890 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -4.989 5.273 2.382 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -6.883 4.982 7.406 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -7.009 3.340 2.702 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -8.438 3.198 6.730 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -8.496 2.388 4.409 1.00 0.00 H new ATOM 378 N VAL A 29 -2.418 9.071 5.838 1.00 0.00 N ATOM 379 CA VAL A 29 -1.365 9.536 4.947 1.00 0.00 C ATOM 380 C VAL A 29 -1.004 8.486 3.899 1.00 0.00 C ATOM 381 O VAL A 29 -0.925 8.786 2.707 1.00 0.00 O ATOM 382 CB VAL A 29 -0.092 9.919 5.733 1.00 0.00 C ATOM 383 CG1 VAL A 29 0.958 10.517 4.808 1.00 0.00 C ATOM 384 CG2 VAL A 29 -0.431 10.886 6.856 1.00 0.00 C ATOM 0 H VAL A 29 -2.097 8.806 6.769 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.757 10.419 4.442 1.00 0.00 H new ATOM 0 HB VAL A 29 0.323 9.012 6.172 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.845 10.779 5.385 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.225 9.789 4.042 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.557 11.412 4.333 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.478 11.145 7.400 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.874 11.790 6.437 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.140 10.417 7.538 1.00 0.00 H new ATOM 394 N ALA A 30 -0.766 7.263 4.346 1.00 0.00 N ATOM 395 CA ALA A 30 -0.383 6.192 3.440 1.00 0.00 C ATOM 396 C ALA A 30 -1.421 5.084 3.374 1.00 0.00 C ATOM 397 O ALA A 30 -1.874 4.578 4.401 1.00 0.00 O ATOM 398 CB ALA A 30 0.955 5.612 3.868 1.00 0.00 C ATOM 0 H ALA A 30 -0.831 6.988 5.326 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.307 6.625 2.443 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.238 4.810 3.187 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.715 6.393 3.844 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.873 5.216 4.880 1.00 0.00 H new ATOM 404 N GLY A 31 -1.757 4.684 2.155 1.00 0.00 N ATOM 405 CA GLY A 31 -2.696 3.600 1.961 1.00 0.00 C ATOM 406 C GLY A 31 -2.026 2.279 2.262 1.00 0.00 C ATOM 407 O GLY A 31 -0.818 2.164 2.092 1.00 0.00 O ATOM 0 H GLY A 31 -1.394 5.094 1.294 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.561 3.736 2.611 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.064 3.605 0.935 1.00 0.00 H new ATOM 411 N TYR A 32 -2.775 1.295 2.719 1.00 0.00 N ATOM 412 CA TYR A 32 -2.192 0.002 3.052 1.00 0.00 C ATOM 413 C TYR A 32 -2.925 -1.138 2.356 1.00 0.00 C ATOM 414 O TYR A 32 -4.101 -1.009 2.006 1.00 0.00 O ATOM 415 CB TYR A 32 -2.197 -0.207 4.574 1.00 0.00 C ATOM 416 CG TYR A 32 -3.569 -0.127 5.215 1.00 0.00 C ATOM 417 CD1 TYR A 32 -4.479 -1.173 5.101 1.00 0.00 C ATOM 418 CD2 TYR A 32 -3.954 1.001 5.930 1.00 0.00 C ATOM 419 CE1 TYR A 32 -5.730 -1.096 5.678 1.00 0.00 C ATOM 420 CE2 TYR A 32 -5.204 1.082 6.512 1.00 0.00 C ATOM 421 CZ TYR A 32 -6.087 0.032 6.382 1.00 0.00 C ATOM 422 OH TYR A 32 -7.334 0.112 6.958 1.00 0.00 O ATOM 0 H TYR A 32 -3.782 1.361 2.869 1.00 0.00 H new ATOM 0 HA TYR A 32 -1.162 -0.002 2.696 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -1.763 -1.182 4.796 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.551 0.542 5.033 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -4.202 -2.060 4.552 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -3.265 1.827 6.032 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -6.425 -1.916 5.578 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -5.488 1.964 7.066 1.00 0.00 H new ATOM 0 HH TYR A 32 -7.427 0.972 7.419 1.00 0.00 H new ATOM 432 N CYS A 33 -2.228 -2.255 2.167 1.00 0.00 N ATOM 433 CA CYS A 33 -2.827 -3.422 1.532 1.00 0.00 C ATOM 434 C CYS A 33 -3.957 -3.939 2.414 1.00 0.00 C ATOM 435 O CYS A 33 -3.790 -4.068 3.625 1.00 0.00 O ATOM 436 CB CYS A 33 -1.797 -4.541 1.323 1.00 0.00 C ATOM 437 SG CYS A 33 -0.330 -4.085 0.330 1.00 0.00 S ATOM 0 H CYS A 33 -1.253 -2.375 2.443 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.206 -3.124 0.554 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.460 -4.888 2.300 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.294 -5.383 0.840 1.00 0.00 H new ATOM 442 N ARG A 34 -5.100 -4.224 1.817 1.00 0.00 N ATOM 443 CA ARG A 34 -6.237 -4.722 2.574 1.00 0.00 C ATOM 444 C ARG A 34 -6.694 -6.051 1.990 1.00 0.00 C ATOM 445 O ARG A 34 -7.874 -6.244 1.687 1.00 0.00 O ATOM 446 CB ARG A 34 -7.380 -3.707 2.559 1.00 0.00 C ATOM 447 CG ARG A 34 -8.347 -3.867 3.719 1.00 0.00 C ATOM 448 CD ARG A 34 -9.522 -2.918 3.588 1.00 0.00 C ATOM 449 NE ARG A 34 -10.344 -2.879 4.793 1.00 0.00 N ATOM 450 CZ ARG A 34 -11.478 -2.187 4.896 1.00 0.00 C ATOM 451 NH1 ARG A 34 -11.970 -1.549 3.841 1.00 0.00 N ATOM 452 NH2 ARG A 34 -12.131 -2.159 6.049 1.00 0.00 N ATOM 0 H ARG A 34 -5.267 -4.120 0.816 1.00 0.00 H new ATOM 0 HA ARG A 34 -5.935 -4.873 3.611 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -6.962 -2.701 2.581 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.929 -3.804 1.622 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -8.708 -4.895 3.755 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -7.827 -3.679 4.658 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -9.153 -1.916 3.371 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -10.138 -3.222 2.741 1.00 0.00 H new ATOM 0 HE ARG A 34 -10.032 -3.413 5.604 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -11.480 -1.587 2.947 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -12.838 -1.020 3.924 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -11.765 -2.666 6.855 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -12.999 -1.630 6.131 1.00 0.00 H new ATOM 466 N ARG A 35 -5.730 -6.952 1.833 1.00 0.00 N ATOM 467 CA ARG A 35 -5.966 -8.279 1.283 1.00 0.00 C ATOM 468 C ARG A 35 -6.416 -8.182 -0.176 1.00 0.00 C ATOM 469 O ARG A 35 -5.582 -8.013 -1.066 1.00 0.00 O ATOM 470 CB ARG A 35 -6.974 -9.047 2.142 1.00 0.00 C ATOM 471 CG ARG A 35 -6.990 -10.539 1.878 1.00 0.00 C ATOM 472 CD ARG A 35 -7.713 -11.280 2.987 1.00 0.00 C ATOM 473 NE ARG A 35 -7.912 -12.692 2.676 1.00 0.00 N ATOM 474 CZ ARG A 35 -8.447 -13.568 3.524 1.00 0.00 C ATOM 475 NH1 ARG A 35 -8.685 -13.220 4.784 1.00 0.00 N ATOM 476 NH2 ARG A 35 -8.705 -14.804 3.122 1.00 0.00 N ATOM 0 H ARG A 35 -4.757 -6.779 2.086 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.031 -8.839 1.300 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -6.746 -8.876 3.194 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -7.971 -8.645 1.963 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -7.479 -10.738 0.924 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.968 -10.908 1.795 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -7.142 -11.191 3.911 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -8.680 -10.810 3.163 1.00 0.00 H new ATOM 0 HE ARG A 35 -7.625 -13.027 1.756 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -8.458 -12.279 5.105 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -9.095 -13.894 5.431 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -8.494 -15.083 2.164 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -9.115 -15.476 3.771 1.00 0.00 H new ATOM 490 N LYS A 36 -7.719 -8.269 -0.420 1.00 0.00 N ATOM 491 CA LYS A 36 -8.256 -8.177 -1.770 1.00 0.00 C ATOM 492 C LYS A 36 -9.760 -7.944 -1.710 1.00 0.00 C ATOM 493 O LYS A 36 -10.371 -8.292 -0.676 1.00 0.00 O ATOM 494 CB LYS A 36 -7.951 -9.457 -2.560 1.00 0.00 C ATOM 495 CG LYS A 36 -8.183 -9.332 -4.061 1.00 0.00 C ATOM 496 CD LYS A 36 -7.261 -8.293 -4.682 1.00 0.00 C ATOM 497 CE LYS A 36 -7.408 -8.231 -6.196 1.00 0.00 C ATOM 498 NZ LYS A 36 -8.730 -7.694 -6.619 1.00 0.00 N ATOM 499 OXT LYS A 36 -10.326 -7.410 -2.685 1.00 0.00 O ATOM 0 H LYS A 36 -8.425 -8.404 0.304 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.783 -7.338 -2.280 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.913 -9.740 -2.386 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.571 -10.266 -2.174 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -8.018 -10.298 -4.538 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.221 -9.058 -4.248 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.480 -7.314 -4.256 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.227 -8.527 -4.428 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.616 -7.606 -6.609 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.275 -9.230 -6.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.773 -7.656 -7.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.486 -8.313 -6.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.856 -6.737 -6.232 1.00 0.00 H new