USER MOD reduce.3.24.130724 H: found=0, std=0, add=269, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 270 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 14 SER OG : rot 63:sc= 0.55 USER MOD Set 1.2: A 18 LYS NZ :NH3+ -115:sc= -0.0607 (180deg=-0.441) USER MOD Set 2.1: A 9 SER OG : rot 180:sc= -0.0974 USER MOD Set 2.2: A 12 GLN : amide:sc= -0.671 K(o=-0.77,f=-3.1) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 6 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0455) USER MOD Single : A 8 THR OG1 : rot -45:sc= 0.0976 USER MOD Single : A 11 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0564) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 33 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0151) USER MOD Single : A 35 LYS NZ :NH3+ -176:sc=-0.00677 (180deg=-0.125) USER MOD Single : A 37 TYR OH : rot 30:sc= -0.0316 USER MOD ----------------------------------------------------------------- ATOM 17 N ILE A 2 -7.214 -0.581 4.461 1.00 0.00 N ATOM 18 CA ILE A 2 -6.760 0.755 4.156 1.00 0.00 C ATOM 19 C ILE A 2 -5.821 1.080 5.300 1.00 0.00 C ATOM 20 O ILE A 2 -6.245 1.142 6.454 1.00 0.00 O ATOM 21 CB ILE A 2 -7.927 1.753 4.061 1.00 0.00 C ATOM 22 CG1 ILE A 2 -8.986 1.262 3.029 1.00 0.00 C ATOM 23 CG2 ILE A 2 -7.373 3.160 3.728 1.00 0.00 C ATOM 24 CD1 ILE A 2 -10.167 2.216 2.823 1.00 0.00 C ATOM 0 HA ILE A 2 -6.273 0.822 3.183 1.00 0.00 H new ATOM 0 HB ILE A 2 -8.441 1.818 5.020 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -8.493 1.103 2.070 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -9.370 0.295 3.354 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -8.198 3.869 3.660 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -6.687 3.476 4.514 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -6.844 3.127 2.776 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -10.853 1.793 2.089 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -10.690 2.357 3.769 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -9.800 3.178 2.465 1.00 0.00 H new ATOM 36 N ILE A 3 -4.509 1.298 4.991 1.00 0.00 N ATOM 37 CA ILE A 3 -3.463 1.650 5.947 1.00 0.00 C ATOM 38 C ILE A 3 -3.151 3.136 5.821 1.00 0.00 C ATOM 39 O ILE A 3 -3.811 3.851 5.069 1.00 0.00 O ATOM 40 CB ILE A 3 -2.236 0.746 5.889 1.00 0.00 C ATOM 41 CG1 ILE A 3 -1.436 0.822 4.571 1.00 0.00 C ATOM 42 CG2 ILE A 3 -2.703 -0.701 6.190 1.00 0.00 C ATOM 43 CD1 ILE A 3 -0.078 0.142 4.733 1.00 0.00 C ATOM 0 H ILE A 3 -4.159 1.227 4.035 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.843 1.467 6.952 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.527 1.098 6.639 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.997 0.342 3.769 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.296 1.864 4.282 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -1.846 -1.374 6.156 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.155 -0.739 7.181 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.436 -1.009 5.445 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.474 0.204 3.795 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.487 0.641 5.520 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.225 -0.905 4.999 1.00 0.00 H new ATOM 55 N ASN A 4 -2.142 3.639 6.584 1.00 0.00 N ATOM 56 CA ASN A 4 -1.774 5.045 6.639 1.00 0.00 C ATOM 57 C ASN A 4 -0.285 5.139 6.413 1.00 0.00 C ATOM 58 O ASN A 4 0.492 5.316 7.352 1.00 0.00 O ATOM 59 CB ASN A 4 -2.150 5.722 7.990 1.00 0.00 C ATOM 60 CG ASN A 4 -3.679 5.751 8.145 1.00 0.00 C ATOM 61 OD1 ASN A 4 -4.372 6.441 7.387 1.00 0.00 O ATOM 62 ND2 ASN A 4 -4.203 4.982 9.148 1.00 0.00 N ATOM 0 H ASN A 4 -1.562 3.051 7.183 1.00 0.00 H new ATOM 0 HA ASN A 4 -2.332 5.577 5.868 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -1.701 5.176 8.819 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -1.752 6.736 8.023 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -5.211 4.959 9.299 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -3.585 4.432 9.745 1.00 0.00 H new ATOM 69 N VAL A 5 0.133 5.044 5.122 1.00 0.00 N ATOM 70 CA VAL A 5 1.486 5.272 4.642 1.00 0.00 C ATOM 71 C VAL A 5 1.300 6.227 3.503 1.00 0.00 C ATOM 72 O VAL A 5 0.520 5.971 2.593 1.00 0.00 O ATOM 73 CB VAL A 5 2.218 3.985 4.219 1.00 0.00 C ATOM 74 CG1 VAL A 5 3.437 4.235 3.287 1.00 0.00 C ATOM 75 CG2 VAL A 5 2.649 3.244 5.504 1.00 0.00 C ATOM 0 H VAL A 5 -0.508 4.794 4.369 1.00 0.00 H new ATOM 0 HA VAL A 5 2.131 5.667 5.427 1.00 0.00 H new ATOM 0 HB VAL A 5 1.531 3.381 3.626 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.901 3.282 3.032 1.00 0.00 H new ATOM 0 HG12 VAL A 5 3.103 4.731 2.376 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.163 4.867 3.799 1.00 0.00 H new ATOM 0 HG21 VAL A 5 3.172 2.326 5.236 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.313 3.883 6.087 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.767 3.000 6.097 1.00 0.00 H new ATOM 85 N LYS A 6 2.051 7.366 3.524 1.00 0.00 N ATOM 86 CA LYS A 6 1.974 8.463 2.572 1.00 0.00 C ATOM 87 C LYS A 6 2.792 8.131 1.327 1.00 0.00 C ATOM 88 O LYS A 6 3.913 7.635 1.441 1.00 0.00 O ATOM 89 CB LYS A 6 2.513 9.790 3.175 1.00 0.00 C ATOM 90 CG LYS A 6 1.922 10.148 4.553 1.00 0.00 C ATOM 91 CD LYS A 6 0.412 10.430 4.551 1.00 0.00 C ATOM 92 CE LYS A 6 -0.133 10.782 5.942 1.00 0.00 C ATOM 93 NZ LYS A 6 -0.065 9.616 6.857 1.00 0.00 N ATOM 0 H LYS A 6 2.752 7.531 4.247 1.00 0.00 H new ATOM 0 HA LYS A 6 0.923 8.595 2.317 1.00 0.00 H new ATOM 0 HB2 LYS A 6 3.597 9.720 3.265 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.302 10.603 2.480 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.124 9.329 5.243 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.441 11.025 4.939 1.00 0.00 H new ATOM 0 HD2 LYS A 6 0.202 11.251 3.866 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -0.115 9.555 4.171 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.439 11.610 6.361 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.166 11.120 5.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -0.547 9.847 7.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.531 8.799 6.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.930 9.384 7.051 1.00 0.00 H new ATOM 107 N CYS A 7 2.222 8.364 0.118 1.00 0.00 N ATOM 108 CA CYS A 7 2.759 7.857 -1.129 1.00 0.00 C ATOM 109 C CYS A 7 2.561 8.910 -2.194 1.00 0.00 C ATOM 110 O CYS A 7 1.890 9.916 -1.977 1.00 0.00 O ATOM 111 CB CYS A 7 2.125 6.473 -1.494 1.00 0.00 C ATOM 112 SG CYS A 7 0.312 6.458 -1.740 1.00 0.00 S ATOM 0 H CYS A 7 1.372 8.915 0.001 1.00 0.00 H new ATOM 0 HA CYS A 7 3.828 7.665 -1.037 1.00 0.00 H new ATOM 0 HB2 CYS A 7 2.598 6.109 -2.406 1.00 0.00 H new ATOM 0 HB3 CYS A 7 2.370 5.764 -0.703 1.00 0.00 H new ATOM 117 N THR A 8 3.145 8.671 -3.393 1.00 0.00 N ATOM 118 CA THR A 8 2.918 9.440 -4.603 1.00 0.00 C ATOM 119 C THR A 8 3.212 8.482 -5.752 1.00 0.00 C ATOM 120 O THR A 8 3.581 8.895 -6.851 1.00 0.00 O ATOM 121 CB THR A 8 3.705 10.768 -4.637 1.00 0.00 C ATOM 122 OG1 THR A 8 3.326 11.612 -5.722 1.00 0.00 O ATOM 123 CG2 THR A 8 5.240 10.564 -4.616 1.00 0.00 C ATOM 0 H THR A 8 3.807 7.907 -3.531 1.00 0.00 H new ATOM 0 HA THR A 8 1.890 9.797 -4.672 1.00 0.00 H new ATOM 0 HB THR A 8 3.430 11.277 -3.713 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.253 11.079 -6.541 1.00 0.00 H new ATOM 0 HG21 THR A 8 5.736 11.534 -4.642 1.00 0.00 H new ATOM 0 HG22 THR A 8 5.524 10.035 -3.706 1.00 0.00 H new ATOM 0 HG23 THR A 8 5.541 9.979 -5.485 1.00 0.00 H new ATOM 131 N SER A 9 3.035 7.158 -5.497 1.00 0.00 N ATOM 132 CA SER A 9 3.318 6.077 -6.411 1.00 0.00 C ATOM 133 C SER A 9 2.730 4.840 -5.752 1.00 0.00 C ATOM 134 O SER A 9 2.767 4.774 -4.525 1.00 0.00 O ATOM 135 CB SER A 9 4.845 5.882 -6.716 1.00 0.00 C ATOM 136 OG SER A 9 5.661 5.620 -5.580 1.00 0.00 O ATOM 0 H SER A 9 2.674 6.827 -4.602 1.00 0.00 H new ATOM 0 HA SER A 9 2.881 6.289 -7.387 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.956 5.058 -7.421 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.217 6.778 -7.212 1.00 0.00 H new ATOM 0 HG SER A 9 6.592 5.511 -5.864 1.00 0.00 H new ATOM 142 N PRO A 10 2.223 3.803 -6.462 1.00 0.00 N ATOM 143 CA PRO A 10 1.850 2.507 -5.879 1.00 0.00 C ATOM 144 C PRO A 10 3.035 1.638 -5.439 1.00 0.00 C ATOM 145 O PRO A 10 2.808 0.713 -4.666 1.00 0.00 O ATOM 146 CB PRO A 10 1.017 1.810 -6.968 1.00 0.00 C ATOM 147 CG PRO A 10 0.477 2.959 -7.821 1.00 0.00 C ATOM 148 CD PRO A 10 1.625 3.972 -7.784 1.00 0.00 C ATOM 0 HA PRO A 10 1.300 2.663 -4.951 1.00 0.00 H new ATOM 0 HB2 PRO A 10 1.627 1.127 -7.560 1.00 0.00 H new ATOM 0 HB3 PRO A 10 0.208 1.221 -6.535 1.00 0.00 H new ATOM 0 HG2 PRO A 10 0.253 2.638 -8.838 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -0.442 3.373 -7.407 1.00 0.00 H new ATOM 0 HD2 PRO A 10 2.350 3.779 -8.575 1.00 0.00 H new ATOM 0 HD3 PRO A 10 1.261 4.989 -7.927 1.00 0.00 H new ATOM 156 N LYS A 11 4.289 1.941 -5.901 1.00 0.00 N ATOM 157 CA LYS A 11 5.553 1.350 -5.475 1.00 0.00 C ATOM 158 C LYS A 11 6.121 1.926 -4.173 1.00 0.00 C ATOM 159 O LYS A 11 7.087 1.385 -3.636 1.00 0.00 O ATOM 160 CB LYS A 11 6.627 1.458 -6.592 1.00 0.00 C ATOM 161 CG LYS A 11 6.186 0.863 -7.946 1.00 0.00 C ATOM 162 CD LYS A 11 5.888 -0.647 -7.910 1.00 0.00 C ATOM 163 CE LYS A 11 5.454 -1.225 -9.265 1.00 0.00 C ATOM 164 NZ LYS A 11 6.530 -1.108 -10.278 1.00 0.00 N ATOM 0 H LYS A 11 4.427 2.649 -6.623 1.00 0.00 H new ATOM 0 HA LYS A 11 5.313 0.306 -5.276 1.00 0.00 H new ATOM 0 HB2 LYS A 11 6.884 2.508 -6.734 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.533 0.950 -6.261 1.00 0.00 H new ATOM 0 HG2 LYS A 11 5.294 1.389 -8.287 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.967 1.049 -8.683 1.00 0.00 H new ATOM 0 HD2 LYS A 11 6.778 -1.176 -7.568 1.00 0.00 H new ATOM 0 HD3 LYS A 11 5.104 -0.836 -7.177 1.00 0.00 H new ATOM 0 HE2 LYS A 11 5.180 -2.273 -9.143 1.00 0.00 H new ATOM 0 HE3 LYS A 11 4.564 -0.702 -9.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 6.242 -1.598 -11.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.703 -0.104 -10.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 7.401 -1.540 -9.910 1.00 0.00 H new ATOM 178 N GLN A 12 5.504 3.016 -3.615 1.00 0.00 N ATOM 179 CA GLN A 12 5.759 3.597 -2.303 1.00 0.00 C ATOM 180 C GLN A 12 4.778 3.029 -1.283 1.00 0.00 C ATOM 181 O GLN A 12 4.853 3.308 -0.087 1.00 0.00 O ATOM 182 CB GLN A 12 5.689 5.146 -2.373 1.00 0.00 C ATOM 183 CG GLN A 12 6.133 5.899 -1.101 1.00 0.00 C ATOM 184 CD GLN A 12 6.399 7.379 -1.407 1.00 0.00 C ATOM 185 OE1 GLN A 12 6.304 7.828 -2.556 1.00 0.00 O ATOM 186 NE2 GLN A 12 6.740 8.151 -0.331 1.00 0.00 N ATOM 0 H GLN A 12 4.777 3.524 -4.118 1.00 0.00 H new ATOM 0 HA GLN A 12 6.766 3.332 -1.981 1.00 0.00 H new ATOM 0 HB2 GLN A 12 6.308 5.481 -3.205 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.663 5.434 -2.603 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.362 5.814 -0.335 1.00 0.00 H new ATOM 0 HG3 GLN A 12 7.035 5.439 -0.697 1.00 0.00 H new ATOM 0 HE21 GLN A 12 6.805 7.732 0.597 1.00 0.00 H new ATOM 0 HE22 GLN A 12 6.929 9.145 -0.456 1.00 0.00 H new ATOM 195 N CYS A 13 3.836 2.175 -1.766 1.00 0.00 N ATOM 196 CA CYS A 13 2.790 1.518 -1.023 1.00 0.00 C ATOM 197 C CYS A 13 3.026 0.015 -1.095 1.00 0.00 C ATOM 198 O CYS A 13 2.460 -0.725 -0.300 1.00 0.00 O ATOM 199 CB CYS A 13 1.401 1.919 -1.620 1.00 0.00 C ATOM 200 SG CYS A 13 -0.081 1.179 -0.867 1.00 0.00 S ATOM 0 H CYS A 13 3.808 1.928 -2.755 1.00 0.00 H new ATOM 0 HA CYS A 13 2.798 1.822 0.024 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.307 3.003 -1.554 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.404 1.663 -2.680 1.00 0.00 H new ATOM 205 N SER A 14 3.912 -0.492 -2.008 1.00 0.00 N ATOM 206 CA SER A 14 4.336 -1.890 -2.118 1.00 0.00 C ATOM 207 C SER A 14 5.470 -2.203 -1.155 1.00 0.00 C ATOM 208 O SER A 14 5.922 -3.337 -1.062 1.00 0.00 O ATOM 209 CB SER A 14 4.817 -2.242 -3.553 1.00 0.00 C ATOM 210 OG SER A 14 3.760 -2.098 -4.490 1.00 0.00 O ATOM 0 H SER A 14 4.357 0.102 -2.707 1.00 0.00 H new ATOM 0 HA SER A 14 3.458 -2.488 -1.872 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.647 -1.593 -3.832 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.191 -3.266 -3.575 1.00 0.00 H new ATOM 0 HG SER A 14 3.473 -1.161 -4.518 1.00 0.00 H new ATOM 216 N LYS A 15 5.923 -1.181 -0.385 1.00 0.00 N ATOM 217 CA LYS A 15 6.866 -1.201 0.705 1.00 0.00 C ATOM 218 C LYS A 15 6.202 -1.669 2.010 1.00 0.00 C ATOM 219 O LYS A 15 6.633 -2.706 2.518 1.00 0.00 O ATOM 220 CB LYS A 15 7.506 0.208 0.810 1.00 0.00 C ATOM 221 CG LYS A 15 8.607 0.452 -0.229 1.00 0.00 C ATOM 222 CD LYS A 15 9.101 1.908 -0.282 1.00 0.00 C ATOM 223 CE LYS A 15 9.813 2.376 0.996 1.00 0.00 C ATOM 224 NZ LYS A 15 10.283 3.774 0.854 1.00 0.00 N ATOM 0 H LYS A 15 5.585 -0.233 -0.550 1.00 0.00 H new ATOM 0 HA LYS A 15 7.657 -1.927 0.517 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.729 0.963 0.690 1.00 0.00 H new ATOM 0 HB3 LYS A 15 7.923 0.337 1.809 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.452 -0.200 -0.009 1.00 0.00 H new ATOM 0 HG3 LYS A 15 8.234 0.169 -1.213 1.00 0.00 H new ATOM 0 HD2 LYS A 15 9.782 2.019 -1.126 1.00 0.00 H new ATOM 0 HD3 LYS A 15 8.250 2.562 -0.471 1.00 0.00 H new ATOM 0 HE2 LYS A 15 9.133 2.300 1.845 1.00 0.00 H new ATOM 0 HE3 LYS A 15 10.660 1.722 1.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.761 4.070 1.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 10.948 3.837 0.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 9.470 4.397 0.676 1.00 0.00 H new ATOM 238 N PRO A 16 5.142 -1.035 2.590 1.00 0.00 N ATOM 239 CA PRO A 16 4.421 -1.511 3.770 1.00 0.00 C ATOM 240 C PRO A 16 3.570 -2.754 3.504 1.00 0.00 C ATOM 241 O PRO A 16 3.589 -3.629 4.357 1.00 0.00 O ATOM 242 CB PRO A 16 3.572 -0.315 4.212 1.00 0.00 C ATOM 243 CG PRO A 16 3.340 0.453 2.928 1.00 0.00 C ATOM 244 CD PRO A 16 4.672 0.297 2.221 1.00 0.00 C ATOM 0 HA PRO A 16 5.113 -1.840 4.545 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.633 -0.635 4.663 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.091 0.292 4.954 1.00 0.00 H new ATOM 0 HG2 PRO A 16 2.518 0.036 2.346 1.00 0.00 H new ATOM 0 HG3 PRO A 16 3.098 1.499 3.116 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.559 0.390 1.141 1.00 0.00 H new ATOM 0 HD3 PRO A 16 5.378 1.066 2.535 1.00 0.00 H new ATOM 252 N CYS A 17 2.850 -2.865 2.348 1.00 0.00 N ATOM 253 CA CYS A 17 1.947 -3.938 1.961 1.00 0.00 C ATOM 254 C CYS A 17 2.628 -5.265 1.645 1.00 0.00 C ATOM 255 O CYS A 17 2.026 -6.308 1.858 1.00 0.00 O ATOM 256 CB CYS A 17 1.065 -3.600 0.724 1.00 0.00 C ATOM 257 SG CYS A 17 0.056 -2.108 0.898 1.00 0.00 S ATOM 0 H CYS A 17 2.905 -2.145 1.627 1.00 0.00 H new ATOM 0 HA CYS A 17 1.337 -4.041 2.858 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.712 -3.485 -0.146 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.407 -4.445 0.522 1.00 0.00 H new ATOM 262 N LYS A 18 3.890 -5.265 1.112 1.00 0.00 N ATOM 263 CA LYS A 18 4.713 -6.462 0.921 1.00 0.00 C ATOM 264 C LYS A 18 5.554 -6.813 2.134 1.00 0.00 C ATOM 265 O LYS A 18 6.156 -7.883 2.193 1.00 0.00 O ATOM 266 CB LYS A 18 5.561 -6.403 -0.366 1.00 0.00 C ATOM 267 CG LYS A 18 4.627 -6.345 -1.582 1.00 0.00 C ATOM 268 CD LYS A 18 5.338 -6.419 -2.939 1.00 0.00 C ATOM 269 CE LYS A 18 4.372 -6.615 -4.119 1.00 0.00 C ATOM 270 NZ LYS A 18 3.386 -5.511 -4.209 1.00 0.00 N ATOM 0 H LYS A 18 4.353 -4.410 0.804 1.00 0.00 H new ATOM 0 HA LYS A 18 4.003 -7.279 0.796 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.210 -5.527 -0.349 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.208 -7.278 -0.430 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.914 -7.167 -1.515 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.052 -5.420 -1.538 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.909 -5.503 -3.093 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.053 -7.241 -2.923 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.939 -6.673 -5.048 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.847 -7.564 -4.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.431 -5.883 -4.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.611 -4.786 -3.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.424 -5.088 -5.158 1.00 0.00 H new ATOM 284 N GLU A 19 5.565 -5.918 3.160 1.00 0.00 N ATOM 285 CA GLU A 19 6.051 -6.180 4.515 1.00 0.00 C ATOM 286 C GLU A 19 4.949 -6.773 5.401 1.00 0.00 C ATOM 287 O GLU A 19 5.228 -7.419 6.409 1.00 0.00 O ATOM 288 CB GLU A 19 6.654 -4.896 5.155 1.00 0.00 C ATOM 289 CG GLU A 19 7.447 -5.075 6.467 1.00 0.00 C ATOM 290 CD GLU A 19 8.631 -6.020 6.258 1.00 0.00 C ATOM 291 OE1 GLU A 19 9.521 -5.682 5.432 1.00 0.00 O ATOM 292 OE2 GLU A 19 8.662 -7.090 6.924 1.00 0.00 O ATOM 0 H GLU A 19 5.220 -4.965 3.047 1.00 0.00 H new ATOM 0 HA GLU A 19 6.847 -6.921 4.439 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.312 -4.429 4.422 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.840 -4.197 5.344 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.805 -4.107 6.816 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.792 -5.471 7.243 1.00 0.00 H new ATOM 299 N LEU A 20 3.658 -6.571 5.003 1.00 0.00 N ATOM 300 CA LEU A 20 2.443 -7.055 5.648 1.00 0.00 C ATOM 301 C LEU A 20 2.005 -8.390 5.060 1.00 0.00 C ATOM 302 O LEU A 20 1.996 -9.409 5.748 1.00 0.00 O ATOM 303 CB LEU A 20 1.261 -6.046 5.487 1.00 0.00 C ATOM 304 CG LEU A 20 1.308 -4.773 6.367 1.00 0.00 C ATOM 305 CD1 LEU A 20 0.074 -3.889 6.098 1.00 0.00 C ATOM 306 CD2 LEU A 20 1.457 -5.062 7.872 1.00 0.00 C ATOM 0 H LEU A 20 3.447 -6.028 4.166 1.00 0.00 H new ATOM 0 HA LEU A 20 2.682 -7.170 6.705 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.218 -5.736 4.443 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.332 -6.574 5.701 1.00 0.00 H new ATOM 0 HG LEU A 20 2.211 -4.236 6.078 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.121 -2.998 6.724 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.059 -3.595 5.049 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.832 -4.448 6.331 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.482 -4.121 8.422 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.612 -5.659 8.213 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.383 -5.610 8.047 1.00 0.00 H new ATOM 318 N TYR A 21 1.589 -8.374 3.764 1.00 0.00 N ATOM 319 CA TYR A 21 0.890 -9.420 3.032 1.00 0.00 C ATOM 320 C TYR A 21 1.837 -10.279 2.211 1.00 0.00 C ATOM 321 O TYR A 21 1.425 -11.309 1.679 1.00 0.00 O ATOM 322 CB TYR A 21 -0.228 -8.828 2.120 1.00 0.00 C ATOM 323 CG TYR A 21 -1.326 -8.244 2.976 1.00 0.00 C ATOM 324 CD1 TYR A 21 -1.307 -6.905 3.417 1.00 0.00 C ATOM 325 CD2 TYR A 21 -2.388 -9.069 3.376 1.00 0.00 C ATOM 326 CE1 TYR A 21 -2.323 -6.417 4.249 1.00 0.00 C ATOM 327 CE2 TYR A 21 -3.413 -8.581 4.192 1.00 0.00 C ATOM 328 CZ TYR A 21 -3.379 -7.253 4.634 1.00 0.00 C ATOM 329 OH TYR A 21 -4.401 -6.770 5.481 1.00 0.00 O ATOM 0 H TYR A 21 1.756 -7.558 3.175 1.00 0.00 H new ATOM 0 HA TYR A 21 0.425 -10.061 3.781 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.189 -8.058 1.471 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.633 -9.606 1.473 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.504 -6.251 3.111 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -2.414 -10.098 3.048 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -2.292 -5.394 4.594 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -4.229 -9.227 4.481 1.00 0.00 H new ATOM 0 HH TYR A 21 -5.053 -7.482 5.646 1.00 0.00 H new ATOM 339 N GLY A 22 3.142 -9.889 2.121 1.00 0.00 N ATOM 340 CA GLY A 22 4.233 -10.730 1.649 1.00 0.00 C ATOM 341 C GLY A 22 4.619 -10.470 0.219 1.00 0.00 C ATOM 342 O GLY A 22 5.616 -9.808 -0.061 1.00 0.00 O ATOM 0 H GLY A 22 3.450 -8.954 2.387 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.104 -10.573 2.286 1.00 0.00 H new ATOM 0 HA3 GLY A 22 3.946 -11.776 1.755 1.00 0.00 H new ATOM 346 N SER A 23 3.832 -11.041 -0.725 1.00 0.00 N ATOM 347 CA SER A 23 4.064 -11.005 -2.157 1.00 0.00 C ATOM 348 C SER A 23 2.710 -10.997 -2.826 1.00 0.00 C ATOM 349 O SER A 23 2.607 -10.752 -4.027 1.00 0.00 O ATOM 350 CB SER A 23 4.886 -12.214 -2.692 1.00 0.00 C ATOM 351 OG SER A 23 6.208 -12.204 -2.173 1.00 0.00 O ATOM 0 H SER A 23 2.987 -11.557 -0.480 1.00 0.00 H new ATOM 0 HA SER A 23 4.654 -10.116 -2.381 1.00 0.00 H new ATOM 0 HB2 SER A 23 4.391 -13.145 -2.416 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.919 -12.182 -3.781 1.00 0.00 H new ATOM 0 HG SER A 23 6.703 -12.974 -2.523 1.00 0.00 H new ATOM 357 N SER A 24 1.628 -11.263 -2.036 1.00 0.00 N ATOM 358 CA SER A 24 0.234 -11.264 -2.439 1.00 0.00 C ATOM 359 C SER A 24 -0.370 -9.991 -1.873 1.00 0.00 C ATOM 360 O SER A 24 -1.177 -10.029 -0.947 1.00 0.00 O ATOM 361 CB SER A 24 -0.498 -12.543 -1.924 1.00 0.00 C ATOM 362 OG SER A 24 -1.813 -12.691 -2.458 1.00 0.00 O ATOM 0 H SER A 24 1.738 -11.493 -1.048 1.00 0.00 H new ATOM 0 HA SER A 24 0.130 -11.286 -3.524 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.093 -13.421 -2.183 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.556 -12.507 -0.836 1.00 0.00 H new ATOM 0 HG SER A 24 -2.221 -13.508 -2.102 1.00 0.00 H new ATOM 368 N ALA A 25 0.052 -8.828 -2.434 1.00 0.00 N ATOM 369 CA ALA A 25 -0.309 -7.501 -1.996 1.00 0.00 C ATOM 370 C ALA A 25 -0.840 -6.776 -3.197 1.00 0.00 C ATOM 371 O ALA A 25 -0.164 -6.674 -4.219 1.00 0.00 O ATOM 372 CB ALA A 25 0.911 -6.727 -1.445 1.00 0.00 C ATOM 0 H ALA A 25 0.680 -8.815 -3.238 1.00 0.00 H new ATOM 0 HA ALA A 25 -1.044 -7.570 -1.194 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.597 -5.733 -1.126 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.330 -7.266 -0.595 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.667 -6.636 -2.225 1.00 0.00 H new ATOM 378 N GLY A 26 -2.075 -6.214 -3.068 1.00 0.00 N ATOM 379 CA GLY A 26 -2.693 -5.316 -4.021 1.00 0.00 C ATOM 380 C GLY A 26 -2.547 -3.927 -3.483 1.00 0.00 C ATOM 381 O GLY A 26 -3.415 -3.414 -2.784 1.00 0.00 O ATOM 0 H GLY A 26 -2.669 -6.396 -2.259 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -2.215 -5.402 -4.997 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.745 -5.566 -4.159 1.00 0.00 H new ATOM 385 N ALA A 27 -1.383 -3.294 -3.780 1.00 0.00 N ATOM 386 CA ALA A 27 -0.940 -2.045 -3.203 1.00 0.00 C ATOM 387 C ALA A 27 -1.329 -0.898 -4.105 1.00 0.00 C ATOM 388 O ALA A 27 -0.836 -0.783 -5.226 1.00 0.00 O ATOM 389 CB ALA A 27 0.589 -2.051 -3.016 1.00 0.00 C ATOM 0 H ALA A 27 -0.719 -3.672 -4.455 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.416 -1.924 -2.230 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.906 -1.103 -2.581 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.871 -2.868 -2.352 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.073 -2.186 -3.983 1.00 0.00 H new ATOM 395 N LYS A 28 -2.265 -0.040 -3.615 1.00 0.00 N ATOM 396 CA LYS A 28 -2.914 1.007 -4.371 1.00 0.00 C ATOM 397 C LYS A 28 -2.625 2.299 -3.660 1.00 0.00 C ATOM 398 O LYS A 28 -2.622 2.359 -2.434 1.00 0.00 O ATOM 399 CB LYS A 28 -4.449 0.790 -4.427 1.00 0.00 C ATOM 400 CG LYS A 28 -4.836 -0.601 -4.949 1.00 0.00 C ATOM 401 CD LYS A 28 -6.336 -0.749 -5.236 1.00 0.00 C ATOM 402 CE LYS A 28 -6.712 -2.168 -5.683 1.00 0.00 C ATOM 403 NZ LYS A 28 -8.173 -2.292 -5.887 1.00 0.00 N ATOM 0 H LYS A 28 -2.582 -0.080 -2.646 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.542 1.012 -5.396 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.867 0.928 -3.430 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.895 1.550 -5.068 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.277 -0.807 -5.862 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.538 -1.351 -4.217 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.901 -0.492 -4.340 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.626 -0.039 -6.010 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.190 -2.411 -6.609 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.384 -2.888 -4.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.400 -3.261 -6.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.667 -2.082 -4.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.479 -1.620 -6.619 1.00 0.00 H new ATOM 417 N CYS A 29 -2.391 3.375 -4.443 1.00 0.00 N ATOM 418 CA CYS A 29 -2.046 4.695 -3.958 1.00 0.00 C ATOM 419 C CYS A 29 -3.022 5.638 -4.620 1.00 0.00 C ATOM 420 O CYS A 29 -2.954 5.872 -5.826 1.00 0.00 O ATOM 421 CB CYS A 29 -0.574 5.083 -4.303 1.00 0.00 C ATOM 422 SG CYS A 29 -0.014 6.728 -3.719 1.00 0.00 S ATOM 0 H CYS A 29 -2.443 3.329 -5.461 1.00 0.00 H new ATOM 0 HA CYS A 29 -2.110 4.737 -2.871 1.00 0.00 H new ATOM 0 HB2 CYS A 29 0.088 4.326 -3.882 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -0.454 5.044 -5.386 1.00 0.00 H new ATOM 427 N MET A 30 -3.948 6.212 -3.807 1.00 0.00 N ATOM 428 CA MET A 30 -4.905 7.234 -4.189 1.00 0.00 C ATOM 429 C MET A 30 -4.546 8.411 -3.293 1.00 0.00 C ATOM 430 O MET A 30 -4.427 8.220 -2.080 1.00 0.00 O ATOM 431 CB MET A 30 -6.386 6.797 -3.959 1.00 0.00 C ATOM 432 CG MET A 30 -7.002 5.981 -5.121 1.00 0.00 C ATOM 433 SD MET A 30 -6.295 4.329 -5.434 1.00 0.00 S ATOM 434 CE MET A 30 -7.430 3.881 -6.779 1.00 0.00 C ATOM 0 H MET A 30 -4.035 5.948 -2.825 1.00 0.00 H new ATOM 0 HA MET A 30 -4.848 7.459 -5.254 1.00 0.00 H new ATOM 0 HB2 MET A 30 -6.439 6.203 -3.047 1.00 0.00 H new ATOM 0 HB3 MET A 30 -6.993 7.687 -3.795 1.00 0.00 H new ATOM 0 HG2 MET A 30 -8.068 5.862 -4.925 1.00 0.00 H new ATOM 0 HG3 MET A 30 -6.909 6.568 -6.035 1.00 0.00 H new ATOM 0 HE1 MET A 30 -7.187 2.883 -7.143 1.00 0.00 H new ATOM 0 HE2 MET A 30 -8.455 3.893 -6.409 1.00 0.00 H new ATOM 0 HE3 MET A 30 -7.330 4.598 -7.594 1.00 0.00 H new ATOM 444 N ASN A 31 -4.332 9.649 -3.870 1.00 0.00 N ATOM 445 CA ASN A 31 -4.108 10.929 -3.185 1.00 0.00 C ATOM 446 C ASN A 31 -2.682 11.038 -2.691 1.00 0.00 C ATOM 447 O ASN A 31 -1.802 11.562 -3.373 1.00 0.00 O ATOM 448 CB ASN A 31 -5.134 11.299 -2.064 1.00 0.00 C ATOM 449 CG ASN A 31 -6.554 11.340 -2.654 1.00 0.00 C ATOM 450 OD1 ASN A 31 -6.840 12.156 -3.539 1.00 0.00 O ATOM 451 ND2 ASN A 31 -7.450 10.440 -2.145 1.00 0.00 N ATOM 0 H ASN A 31 -4.315 9.758 -4.884 1.00 0.00 H new ATOM 0 HA ASN A 31 -4.287 11.680 -3.955 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -5.086 10.567 -1.258 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -4.881 12.267 -1.631 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -8.408 10.420 -2.495 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -7.160 9.789 -1.415 1.00 0.00 H new ATOM 458 N GLY A 32 -2.449 10.485 -1.482 1.00 0.00 N ATOM 459 CA GLY A 32 -1.144 10.276 -0.930 1.00 0.00 C ATOM 460 C GLY A 32 -1.343 9.467 0.305 1.00 0.00 C ATOM 461 O GLY A 32 -0.909 9.873 1.380 1.00 0.00 O ATOM 0 H GLY A 32 -3.200 10.172 -0.867 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.500 9.754 -1.638 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.661 11.226 -0.700 1.00 0.00 H new ATOM 465 N LYS A 33 -2.011 8.288 0.164 1.00 0.00 N ATOM 466 CA LYS A 33 -2.216 7.317 1.224 1.00 0.00 C ATOM 467 C LYS A 33 -2.369 5.981 0.548 1.00 0.00 C ATOM 468 O LYS A 33 -2.793 5.879 -0.602 1.00 0.00 O ATOM 469 CB LYS A 33 -3.420 7.567 2.171 1.00 0.00 C ATOM 470 CG LYS A 33 -3.108 8.604 3.262 1.00 0.00 C ATOM 471 CD LYS A 33 -4.133 8.568 4.405 1.00 0.00 C ATOM 472 CE LYS A 33 -3.844 9.554 5.545 1.00 0.00 C ATOM 473 NZ LYS A 33 -3.886 10.956 5.070 1.00 0.00 N ATOM 0 H LYS A 33 -2.425 7.999 -0.723 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.355 7.385 1.889 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.274 7.907 1.585 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.710 6.627 2.641 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.112 8.418 3.663 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.093 9.600 2.820 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.121 8.781 3.998 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.168 7.558 4.814 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.575 9.416 6.342 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.864 9.342 5.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.754 11.600 5.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.127 11.110 4.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.807 11.144 4.624 1.00 0.00 H new ATOM 487 N CYS A 34 -1.982 4.920 1.300 1.00 0.00 N ATOM 488 CA CYS A 34 -1.731 3.570 0.854 1.00 0.00 C ATOM 489 C CYS A 34 -2.865 2.679 1.302 1.00 0.00 C ATOM 490 O CYS A 34 -3.423 2.847 2.383 1.00 0.00 O ATOM 491 CB CYS A 34 -0.370 3.104 1.459 1.00 0.00 C ATOM 492 SG CYS A 34 0.203 1.409 1.120 1.00 0.00 S ATOM 0 H CYS A 34 -1.833 5.017 2.304 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.673 3.519 -0.233 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.400 3.790 1.107 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.432 3.222 2.541 1.00 0.00 H new ATOM 497 N LYS A 35 -3.197 1.683 0.444 1.00 0.00 N ATOM 498 CA LYS A 35 -4.151 0.629 0.694 1.00 0.00 C ATOM 499 C LYS A 35 -3.448 -0.669 0.416 1.00 0.00 C ATOM 500 O LYS A 35 -2.717 -0.776 -0.564 1.00 0.00 O ATOM 501 CB LYS A 35 -5.353 0.753 -0.262 1.00 0.00 C ATOM 502 CG LYS A 35 -6.300 1.882 0.157 1.00 0.00 C ATOM 503 CD LYS A 35 -7.460 2.116 -0.821 1.00 0.00 C ATOM 504 CE LYS A 35 -7.045 2.677 -2.187 1.00 0.00 C ATOM 505 NZ LYS A 35 -6.118 3.823 -2.042 1.00 0.00 N ATOM 0 H LYS A 35 -2.773 1.610 -0.481 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.516 0.685 1.719 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.994 0.937 -1.275 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.899 -0.190 -0.283 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -6.708 1.654 1.142 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -5.728 2.805 0.255 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -7.983 1.172 -0.975 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -8.171 2.803 -0.362 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -6.567 1.893 -2.774 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.932 2.992 -2.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.910 4.222 -2.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.558 4.552 -1.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.234 3.501 -1.599 1.00 0.00 H new ATOM 519 N CYS A 36 -3.680 -1.699 1.273 1.00 0.00 N ATOM 520 CA CYS A 36 -3.122 -3.032 1.128 1.00 0.00 C ATOM 521 C CYS A 36 -4.259 -4.006 1.021 1.00 0.00 C ATOM 522 O CYS A 36 -5.063 -4.147 1.937 1.00 0.00 O ATOM 523 CB CYS A 36 -2.232 -3.476 2.314 1.00 0.00 C ATOM 524 SG CYS A 36 -0.882 -2.332 2.666 1.00 0.00 S ATOM 0 H CYS A 36 -4.276 -1.603 2.095 1.00 0.00 H new ATOM 0 HA CYS A 36 -2.489 -3.012 0.241 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -2.852 -3.580 3.205 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.817 -4.461 2.098 1.00 0.00 H new ATOM 529 N TYR A 37 -4.321 -4.728 -0.122 1.00 0.00 N ATOM 530 CA TYR A 37 -5.305 -5.724 -0.449 1.00 0.00 C ATOM 531 C TYR A 37 -4.542 -7.023 -0.628 1.00 0.00 C ATOM 532 O TYR A 37 -3.417 -7.157 -0.147 1.00 0.00 O ATOM 533 CB TYR A 37 -6.053 -5.284 -1.733 1.00 0.00 C ATOM 534 CG TYR A 37 -6.927 -4.081 -1.439 1.00 0.00 C ATOM 535 CD1 TYR A 37 -8.050 -4.230 -0.604 1.00 0.00 C ATOM 536 CD2 TYR A 37 -6.646 -2.800 -1.960 1.00 0.00 C ATOM 537 CE1 TYR A 37 -8.878 -3.139 -0.310 1.00 0.00 C ATOM 538 CE2 TYR A 37 -7.497 -1.718 -1.706 1.00 0.00 C ATOM 539 CZ TYR A 37 -8.613 -1.887 -0.876 1.00 0.00 C ATOM 540 OH TYR A 37 -9.479 -0.808 -0.591 1.00 0.00 O ATOM 0 H TYR A 37 -3.635 -4.606 -0.867 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.063 -5.853 0.324 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.335 -5.039 -2.516 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -6.665 -6.105 -2.107 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -8.277 -5.199 -0.184 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -5.762 -2.652 -2.563 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -9.721 -3.264 0.354 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -7.294 -0.754 -2.149 1.00 0.00 H new ATOM 0 HH TYR A 37 -9.868 -0.927 0.301 1.00 0.00 H new