USER MOD reduce.3.24.130724 H: found=0, std=0, add=366, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 349 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 39 CYS SG : rot 125:sc= -2.59! USER MOD Set 1.2: A 41 CYS SG : rot 158:sc= 0.808 USER MOD Set 1.3: A 46 CYS SG : rot 13:sc= 4.23 USER MOD Set 1.4: A 48 CYS SG : rot -31:sc= -1.42! USER MOD Set 1.5: A 52 CYS SG : rot -18:sc= 1.41 USER MOD Set 1.6: A 58 CYS SG : rot -90:sc= 1.46 USER MOD Set 1.7: A 60 CYS SG : rot 101:sc= -1.24! USER MOD Set 1.8: A 64 CYS SG : rot -119:sc= -0.134 USER MOD Set 1.9: A 66 CYS SG : rot -137:sc= -2.76! USER MOD Set 1.10: A 67 LYS NZ :NH3+ -179:sc= 2.23 (180deg=1.1) USER MOD Set 2.1: A 10 CYS SG : rot 140:sc= -0.16 USER MOD Set 2.2: A 14 CYS SG : rot -152:sc= 0.647 USER MOD Set 2.3: A 19 CYS SG : rot -55:sc= 0.975 USER MOD Set 2.4: A 21 CYS SG : rot -159:sc= -1.7! USER MOD Set 2.5: A 25 CYS SG : rot -15:sc= -3.15! USER MOD Set 2.6: A 27 CYS SG : rot -164:sc= -0.134! USER MOD Set 2.7: A 31 CYS SG : rot 131:sc= -0.738 USER MOD Set 2.8: A 33 CYS SG : rot 154:sc= -0.897 USER MOD Set 2.9: A 36 CYS SG : rot 180:sc= 0.0821 USER MOD Set 2.10: A 37 LYS NZ :NH3+ -164:sc= 1.75 (180deg=0.586) USER MOD Set 2.11: A 62 SER OG : rot -162:sc= 0.0347 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.00584 USER MOD Single : A 16 SER OG : rot 74:sc= 1.26 USER MOD Single : A 20 GLN : amide:sc= 0.516 K(o=0.52,f=-0.018) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 19:sc= 0.87 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.141 USER MOD Single : A 40 ASN : amide:sc= 0.255 X(o=0.25,f=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 41:sc= 0.383 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot -31:sc= 0.0826 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 98 N LYS A 9 -16.837 22.941 -12.873 1.00 0.00 N ATOM 99 CA LYS A 9 -17.933 23.398 -12.027 1.00 0.00 C ATOM 100 C LYS A 9 -18.200 24.883 -12.221 1.00 0.00 C ATOM 101 O LYS A 9 -18.238 25.661 -11.263 1.00 0.00 O ATOM 102 CB LYS A 9 -17.663 23.088 -10.556 1.00 0.00 C ATOM 103 CG LYS A 9 -17.607 21.598 -10.243 1.00 0.00 C ATOM 104 CD LYS A 9 -17.566 21.336 -8.743 1.00 0.00 C ATOM 105 CE LYS A 9 -18.805 21.888 -8.047 1.00 0.00 C ATOM 106 NZ LYS A 9 -18.852 21.518 -6.610 1.00 0.00 N ATOM 0 HA LYS A 9 -18.827 22.852 -12.330 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -16.718 23.547 -10.265 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -18.442 23.549 -9.948 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -18.477 21.103 -10.675 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -16.726 21.161 -10.713 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -17.492 20.264 -8.561 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -16.673 21.794 -8.317 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -18.819 22.974 -8.142 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -19.698 21.513 -8.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -19.711 21.914 -6.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -18.865 20.482 -6.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -18.014 21.898 -6.126 1.00 0.00 H new ATOM 120 N CYS A 10 -18.366 25.270 -13.461 1.00 0.00 N ATOM 121 CA CYS A 10 -18.669 26.643 -13.787 1.00 0.00 C ATOM 122 C CYS A 10 -20.162 26.866 -13.884 1.00 0.00 C ATOM 123 O CYS A 10 -20.897 26.030 -14.414 1.00 0.00 O ATOM 124 CB CYS A 10 -17.961 27.073 -15.067 1.00 0.00 C ATOM 125 SG CYS A 10 -16.153 27.018 -14.960 1.00 0.00 S ATOM 0 H CYS A 10 -18.296 24.649 -14.267 1.00 0.00 H new ATOM 0 HA CYS A 10 -18.295 27.268 -12.976 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -18.287 26.430 -15.884 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -18.270 28.088 -15.318 1.00 0.00 H new ATOM 0 HG CYS A 10 -15.666 26.560 -16.075 1.00 0.00 H new ATOM 130 N THR A 11 -20.606 27.990 -13.365 1.00 0.00 N ATOM 131 CA THR A 11 -22.007 28.321 -13.339 1.00 0.00 C ATOM 132 C THR A 11 -22.417 29.041 -14.622 1.00 0.00 C ATOM 133 O THR A 11 -21.588 29.264 -15.516 1.00 0.00 O ATOM 134 CB THR A 11 -22.320 29.213 -12.128 1.00 0.00 C ATOM 135 OG1 THR A 11 -21.502 30.391 -12.178 1.00 0.00 O ATOM 136 CG2 THR A 11 -22.051 28.471 -10.826 1.00 0.00 C ATOM 0 H THR A 11 -20.002 28.699 -12.949 1.00 0.00 H new ATOM 0 HA THR A 11 -22.573 27.393 -13.260 1.00 0.00 H new ATOM 0 HB THR A 11 -23.374 29.487 -12.164 1.00 0.00 H new ATOM 0 HG1 THR A 11 -21.702 30.961 -11.407 1.00 0.00 H new ATOM 0 HG21 THR A 11 -22.280 29.122 -9.982 1.00 0.00 H new ATOM 0 HG22 THR A 11 -22.679 27.581 -10.778 1.00 0.00 H new ATOM 0 HG23 THR A 11 -21.002 28.178 -10.784 1.00 0.00 H new ATOM 144 N SER A 12 -23.688 29.415 -14.705 1.00 0.00 N ATOM 145 CA SER A 12 -24.212 30.108 -15.867 1.00 0.00 C ATOM 146 C SER A 12 -23.530 31.461 -16.057 1.00 0.00 C ATOM 147 O SER A 12 -23.369 31.932 -17.182 1.00 0.00 O ATOM 148 CB SER A 12 -25.725 30.280 -15.732 1.00 0.00 C ATOM 149 OG SER A 12 -26.061 30.812 -14.458 1.00 0.00 O ATOM 0 H SER A 12 -24.377 29.246 -13.972 1.00 0.00 H new ATOM 0 HA SER A 12 -24.002 29.506 -16.751 1.00 0.00 H new ATOM 0 HB2 SER A 12 -26.091 30.943 -16.516 1.00 0.00 H new ATOM 0 HB3 SER A 12 -26.219 29.318 -15.871 1.00 0.00 H new ATOM 0 HG SER A 12 -27.033 30.916 -14.393 1.00 0.00 H new ATOM 155 N ALA A 13 -23.115 32.071 -14.950 1.00 0.00 N ATOM 156 CA ALA A 13 -22.441 33.357 -14.988 1.00 0.00 C ATOM 157 C ALA A 13 -21.141 33.260 -15.774 1.00 0.00 C ATOM 158 O ALA A 13 -20.885 34.064 -16.668 1.00 0.00 O ATOM 159 CB ALA A 13 -22.171 33.857 -13.577 1.00 0.00 C ATOM 0 H ALA A 13 -23.237 31.689 -14.012 1.00 0.00 H new ATOM 0 HA ALA A 13 -23.094 34.071 -15.491 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -21.666 34.822 -13.623 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -23.115 33.967 -13.043 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -21.539 33.141 -13.052 1.00 0.00 H new ATOM 165 N CYS A 14 -20.334 32.265 -15.448 1.00 0.00 N ATOM 166 CA CYS A 14 -19.062 32.049 -16.130 1.00 0.00 C ATOM 167 C CYS A 14 -19.299 31.615 -17.575 1.00 0.00 C ATOM 168 O CYS A 14 -18.497 31.889 -18.467 1.00 0.00 O ATOM 169 CB CYS A 14 -18.243 30.989 -15.393 1.00 0.00 C ATOM 170 SG CYS A 14 -16.583 30.715 -16.059 1.00 0.00 S ATOM 0 H CYS A 14 -20.535 31.589 -14.712 1.00 0.00 H new ATOM 0 HA CYS A 14 -18.507 32.987 -16.134 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -18.156 31.280 -14.346 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -18.789 30.046 -15.417 1.00 0.00 H new ATOM 0 HG CYS A 14 -16.208 29.497 -15.802 1.00 0.00 H new ATOM 175 N ARG A 15 -20.417 30.949 -17.798 1.00 0.00 N ATOM 176 CA ARG A 15 -20.777 30.482 -19.130 1.00 0.00 C ATOM 177 C ARG A 15 -21.477 31.569 -19.948 1.00 0.00 C ATOM 178 O ARG A 15 -22.107 31.287 -20.966 1.00 0.00 O ATOM 179 CB ARG A 15 -21.632 29.219 -19.051 1.00 0.00 C ATOM 180 CG ARG A 15 -20.852 27.989 -18.610 1.00 0.00 C ATOM 181 CD ARG A 15 -19.629 27.785 -19.490 1.00 0.00 C ATOM 182 NE ARG A 15 -18.961 26.510 -19.248 1.00 0.00 N ATOM 183 CZ ARG A 15 -18.245 25.868 -20.173 1.00 0.00 C ATOM 184 NH1 ARG A 15 -18.129 26.374 -21.399 1.00 0.00 N ATOM 185 NH2 ARG A 15 -17.650 24.724 -19.876 1.00 0.00 N ATOM 0 H ARG A 15 -21.096 30.717 -17.073 1.00 0.00 H new ATOM 0 HA ARG A 15 -19.850 30.236 -19.649 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -22.454 29.388 -18.355 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -22.076 29.028 -20.028 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -20.544 28.101 -17.571 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -21.493 27.109 -18.659 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -19.928 27.840 -20.537 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -18.923 28.598 -19.317 1.00 0.00 H new ATOM 0 HE ARG A 15 -19.046 26.088 -18.323 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -18.588 27.254 -21.633 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -17.581 25.881 -22.104 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -17.738 24.332 -18.939 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -17.103 24.235 -20.584 1.00 0.00 H new ATOM 199 N SER A 16 -21.364 32.799 -19.499 1.00 0.00 N ATOM 200 CA SER A 16 -21.898 33.925 -20.229 1.00 0.00 C ATOM 201 C SER A 16 -20.749 34.718 -20.831 1.00 0.00 C ATOM 202 O SER A 16 -19.603 34.565 -20.405 1.00 0.00 O ATOM 203 CB SER A 16 -22.730 34.805 -19.303 1.00 0.00 C ATOM 204 OG SER A 16 -23.786 34.060 -18.715 1.00 0.00 O ATOM 0 H SER A 16 -20.902 33.045 -18.623 1.00 0.00 H new ATOM 0 HA SER A 16 -22.546 33.568 -21.030 1.00 0.00 H new ATOM 0 HB2 SER A 16 -22.094 35.222 -18.522 1.00 0.00 H new ATOM 0 HB3 SER A 16 -23.140 35.645 -19.863 1.00 0.00 H new ATOM 0 HG SER A 16 -23.423 33.467 -18.024 1.00 0.00 H new ATOM 210 N GLU A 17 -21.034 35.533 -21.823 1.00 0.00 N ATOM 211 CA GLU A 17 -19.999 36.334 -22.449 1.00 0.00 C ATOM 212 C GLU A 17 -20.353 37.815 -22.389 1.00 0.00 C ATOM 213 O GLU A 17 -21.296 38.256 -23.047 1.00 0.00 O ATOM 214 CB GLU A 17 -19.780 35.904 -23.898 1.00 0.00 C ATOM 215 CG GLU A 17 -19.378 34.449 -24.048 1.00 0.00 C ATOM 216 CD GLU A 17 -19.008 34.095 -25.463 1.00 0.00 C ATOM 217 OE1 GLU A 17 -19.918 33.866 -26.283 1.00 0.00 O ATOM 218 OE2 GLU A 17 -17.800 34.032 -25.764 1.00 0.00 O ATOM 0 H GLU A 17 -21.968 35.660 -22.213 1.00 0.00 H new ATOM 0 HA GLU A 17 -19.073 36.174 -21.897 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -20.696 36.079 -24.462 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -19.008 36.533 -24.342 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -18.533 34.240 -23.392 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -20.201 33.813 -23.721 1.00 0.00 H new ATOM 225 N PRO A 18 -19.616 38.606 -21.591 1.00 0.00 N ATOM 226 CA PRO A 18 -18.497 38.116 -20.773 1.00 0.00 C ATOM 227 C PRO A 18 -18.983 37.434 -19.494 1.00 0.00 C ATOM 228 O PRO A 18 -20.179 37.479 -19.174 1.00 0.00 O ATOM 229 CB PRO A 18 -17.746 39.399 -20.427 1.00 0.00 C ATOM 230 CG PRO A 18 -18.805 40.442 -20.378 1.00 0.00 C ATOM 231 CD PRO A 18 -19.820 40.057 -21.424 1.00 0.00 C ATOM 0 HA PRO A 18 -17.895 37.370 -21.293 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -17.229 39.312 -19.471 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -16.991 39.633 -21.178 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -19.262 40.487 -19.389 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -18.390 41.429 -20.583 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -20.835 40.284 -21.099 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -19.656 40.595 -22.358 1.00 0.00 H new ATOM 239 N CYS A 19 -18.064 36.800 -18.775 1.00 0.00 N ATOM 240 CA CYS A 19 -18.399 36.118 -17.535 1.00 0.00 C ATOM 241 C CYS A 19 -19.084 37.054 -16.563 1.00 0.00 C ATOM 242 O CYS A 19 -18.598 38.146 -16.275 1.00 0.00 O ATOM 243 CB CYS A 19 -17.158 35.511 -16.893 1.00 0.00 C ATOM 244 SG CYS A 19 -16.418 34.180 -17.850 1.00 0.00 S ATOM 0 H CYS A 19 -17.079 36.745 -19.032 1.00 0.00 H new ATOM 0 HA CYS A 19 -19.091 35.313 -17.782 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -16.416 36.296 -16.747 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -17.420 35.132 -15.905 1.00 0.00 H new ATOM 0 HG CYS A 19 -17.315 33.272 -18.096 1.00 0.00 H new ATOM 249 N GLN A 20 -20.209 36.613 -16.055 1.00 0.00 N ATOM 250 CA GLN A 20 -21.002 37.402 -15.136 1.00 0.00 C ATOM 251 C GLN A 20 -20.654 37.041 -13.710 1.00 0.00 C ATOM 252 O GLN A 20 -21.322 37.457 -12.765 1.00 0.00 O ATOM 253 CB GLN A 20 -22.484 37.167 -15.390 1.00 0.00 C ATOM 254 CG GLN A 20 -22.934 37.528 -16.797 1.00 0.00 C ATOM 255 CD GLN A 20 -22.822 39.010 -17.090 1.00 0.00 C ATOM 256 OE1 GLN A 20 -23.749 39.778 -16.830 1.00 0.00 O ATOM 257 NE2 GLN A 20 -21.702 39.420 -17.652 1.00 0.00 N ATOM 0 H GLN A 20 -20.603 35.696 -16.266 1.00 0.00 H new ATOM 0 HA GLN A 20 -20.782 38.458 -15.295 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -22.712 36.117 -15.204 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -23.062 37.750 -14.673 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -22.334 36.974 -17.518 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -23.968 37.213 -16.934 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -20.957 38.752 -17.851 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -21.580 40.405 -17.887 1.00 0.00 H new ATOM 266 N CYS A 21 -19.605 36.248 -13.565 1.00 0.00 N ATOM 267 CA CYS A 21 -19.125 35.842 -12.263 1.00 0.00 C ATOM 268 C CYS A 21 -18.676 37.060 -11.468 1.00 0.00 C ATOM 269 O CYS A 21 -18.880 37.132 -10.251 1.00 0.00 O ATOM 270 CB CYS A 21 -17.976 34.856 -12.417 1.00 0.00 C ATOM 271 SG CYS A 21 -18.476 33.138 -12.638 1.00 0.00 S ATOM 0 H CYS A 21 -19.067 35.871 -14.346 1.00 0.00 H new ATOM 0 HA CYS A 21 -19.935 35.353 -11.722 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -17.371 35.156 -13.272 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -17.338 34.923 -11.536 1.00 0.00 H new ATOM 0 HG CYS A 21 -17.488 32.354 -12.321 1.00 0.00 H new ATOM 276 N GLY A 22 -18.075 38.016 -12.169 1.00 0.00 N ATOM 277 CA GLY A 22 -17.638 39.241 -11.549 1.00 0.00 C ATOM 278 C GLY A 22 -16.550 39.031 -10.525 1.00 0.00 C ATOM 279 O GLY A 22 -15.701 38.153 -10.679 1.00 0.00 O ATOM 0 H GLY A 22 -17.884 37.956 -13.169 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -17.277 39.922 -12.319 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -18.490 39.723 -11.071 1.00 0.00 H new ATOM 283 N SER A 23 -16.590 39.823 -9.473 1.00 0.00 N ATOM 284 CA SER A 23 -15.590 39.766 -8.432 1.00 0.00 C ATOM 285 C SER A 23 -15.957 38.758 -7.347 1.00 0.00 C ATOM 286 O SER A 23 -15.151 38.466 -6.466 1.00 0.00 O ATOM 287 CB SER A 23 -15.399 41.147 -7.832 1.00 0.00 C ATOM 288 OG SER A 23 -15.074 42.091 -8.846 1.00 0.00 O ATOM 0 H SER A 23 -17.316 40.522 -9.318 1.00 0.00 H new ATOM 0 HA SER A 23 -14.654 39.431 -8.879 1.00 0.00 H new ATOM 0 HB2 SER A 23 -16.309 41.456 -7.318 1.00 0.00 H new ATOM 0 HB3 SER A 23 -14.605 41.119 -7.085 1.00 0.00 H new ATOM 0 HG SER A 23 -14.956 42.976 -8.443 1.00 0.00 H new ATOM 294 N LYS A 24 -17.169 38.225 -7.403 1.00 0.00 N ATOM 295 CA LYS A 24 -17.576 37.235 -6.434 1.00 0.00 C ATOM 296 C LYS A 24 -17.143 35.896 -6.928 1.00 0.00 C ATOM 297 O LYS A 24 -16.434 35.163 -6.240 1.00 0.00 O ATOM 298 CB LYS A 24 -19.086 37.258 -6.218 1.00 0.00 C ATOM 299 CG LYS A 24 -19.611 38.567 -5.668 1.00 0.00 C ATOM 300 CD LYS A 24 -18.865 38.979 -4.418 1.00 0.00 C ATOM 301 CE LYS A 24 -19.466 40.225 -3.819 1.00 0.00 C ATOM 302 NZ LYS A 24 -18.624 40.774 -2.727 1.00 0.00 N ATOM 0 H LYS A 24 -17.874 38.461 -8.101 1.00 0.00 H new ATOM 0 HA LYS A 24 -17.110 37.455 -5.473 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -19.581 37.050 -7.166 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -19.357 36.454 -5.534 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -19.515 39.346 -6.424 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -20.673 38.469 -5.444 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -18.894 38.169 -3.689 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -17.816 39.155 -4.657 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -19.589 40.979 -4.597 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -20.460 39.999 -3.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -19.071 41.630 -2.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -18.527 40.064 -1.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -17.683 41.013 -3.101 1.00 0.00 H new ATOM 316 N CYS A 25 -17.560 35.604 -8.147 1.00 0.00 N ATOM 317 CA CYS A 25 -17.186 34.406 -8.847 1.00 0.00 C ATOM 318 C CYS A 25 -17.687 33.147 -8.154 1.00 0.00 C ATOM 319 O CYS A 25 -17.110 32.674 -7.172 1.00 0.00 O ATOM 320 CB CYS A 25 -15.688 34.364 -9.051 1.00 0.00 C ATOM 321 SG CYS A 25 -15.189 33.207 -10.301 1.00 0.00 S ATOM 0 H CYS A 25 -18.181 36.211 -8.682 1.00 0.00 H new ATOM 0 HA CYS A 25 -17.671 34.432 -9.823 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -15.336 35.359 -9.324 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -15.206 34.103 -8.109 1.00 0.00 H new ATOM 0 HG CYS A 25 -16.173 32.399 -10.562 1.00 0.00 H new ATOM 326 N GLN A 26 -18.758 32.610 -8.680 1.00 0.00 N ATOM 327 CA GLN A 26 -19.378 31.425 -8.111 1.00 0.00 C ATOM 328 C GLN A 26 -18.962 30.109 -8.805 1.00 0.00 C ATOM 329 O GLN A 26 -19.575 29.071 -8.565 1.00 0.00 O ATOM 330 CB GLN A 26 -20.899 31.581 -8.103 1.00 0.00 C ATOM 331 CG GLN A 26 -21.408 32.449 -6.960 1.00 0.00 C ATOM 332 CD GLN A 26 -22.864 32.831 -7.111 1.00 0.00 C ATOM 333 OE1 GLN A 26 -23.760 32.093 -6.698 1.00 0.00 O ATOM 334 NE2 GLN A 26 -23.109 33.999 -7.668 1.00 0.00 N ATOM 0 H GLN A 26 -19.228 32.973 -9.509 1.00 0.00 H new ATOM 0 HA GLN A 26 -19.012 31.345 -7.087 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -21.218 32.016 -9.050 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -21.358 30.595 -8.034 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -21.274 31.916 -6.019 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -20.804 33.355 -6.902 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -22.337 34.579 -7.997 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -24.071 34.323 -7.771 1.00 0.00 H new ATOM 343 N CYS A 27 -17.931 30.136 -9.651 1.00 0.00 N ATOM 344 CA CYS A 27 -17.464 28.891 -10.269 1.00 0.00 C ATOM 345 C CYS A 27 -16.177 28.403 -9.621 1.00 0.00 C ATOM 346 O CYS A 27 -15.514 29.147 -8.879 1.00 0.00 O ATOM 347 CB CYS A 27 -17.278 29.004 -11.795 1.00 0.00 C ATOM 348 SG CYS A 27 -15.931 30.053 -12.362 1.00 0.00 S ATOM 0 H CYS A 27 -17.417 30.975 -9.919 1.00 0.00 H new ATOM 0 HA CYS A 27 -18.253 28.159 -10.096 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -17.122 28.002 -12.195 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -18.207 29.378 -12.225 1.00 0.00 H new ATOM 0 HG CYS A 27 -16.090 30.319 -13.625 1.00 0.00 H new ATOM 353 N GLY A 28 -15.824 27.154 -9.899 1.00 0.00 N ATOM 354 CA GLY A 28 -14.621 26.583 -9.343 1.00 0.00 C ATOM 355 C GLY A 28 -13.379 27.023 -10.091 1.00 0.00 C ATOM 356 O GLY A 28 -13.010 28.203 -10.061 1.00 0.00 O ATOM 0 H GLY A 28 -16.355 26.527 -10.503 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -14.534 26.873 -8.296 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -14.692 25.496 -9.368 1.00 0.00 H new ATOM 360 N GLU A 29 -12.743 26.088 -10.768 1.00 0.00 N ATOM 361 CA GLU A 29 -11.523 26.368 -11.520 1.00 0.00 C ATOM 362 C GLU A 29 -11.539 25.620 -12.844 1.00 0.00 C ATOM 363 O GLU A 29 -12.531 25.001 -13.199 1.00 0.00 O ATOM 364 CB GLU A 29 -10.284 25.950 -10.717 1.00 0.00 C ATOM 365 CG GLU A 29 -10.075 26.724 -9.429 1.00 0.00 C ATOM 366 CD GLU A 29 -8.882 26.222 -8.652 1.00 0.00 C ATOM 367 OE1 GLU A 29 -7.783 26.801 -8.801 1.00 0.00 O ATOM 368 OE2 GLU A 29 -9.030 25.243 -7.897 1.00 0.00 O ATOM 0 H GLU A 29 -13.050 25.116 -10.816 1.00 0.00 H new ATOM 0 HA GLU A 29 -11.480 27.441 -11.708 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.362 24.889 -10.479 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.402 26.072 -11.346 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.938 27.781 -9.660 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.969 26.646 -8.810 1.00 0.00 H new ATOM 375 N GLY A 30 -10.434 25.674 -13.568 1.00 0.00 N ATOM 376 CA GLY A 30 -10.342 24.955 -14.825 1.00 0.00 C ATOM 377 C GLY A 30 -10.615 25.828 -16.029 1.00 0.00 C ATOM 378 O GLY A 30 -10.021 25.633 -17.086 1.00 0.00 O ATOM 0 H GLY A 30 -9.599 26.201 -13.311 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.346 24.521 -14.917 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.051 24.127 -14.816 1.00 0.00 H new ATOM 382 N CYS A 31 -11.505 26.793 -15.871 1.00 0.00 N ATOM 383 CA CYS A 31 -11.865 27.686 -16.956 1.00 0.00 C ATOM 384 C CYS A 31 -10.709 28.615 -17.298 1.00 0.00 C ATOM 385 O CYS A 31 -10.474 28.923 -18.466 1.00 0.00 O ATOM 386 CB CYS A 31 -13.090 28.500 -16.566 1.00 0.00 C ATOM 387 SG CYS A 31 -12.897 29.392 -15.006 1.00 0.00 S ATOM 0 H CYS A 31 -11.994 26.978 -14.995 1.00 0.00 H new ATOM 0 HA CYS A 31 -12.094 27.087 -17.837 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -13.309 29.215 -17.359 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.950 27.834 -16.491 1.00 0.00 H new ATOM 0 HG CYS A 31 -13.254 30.632 -15.168 1.00 0.00 H new ATOM 392 N THR A 32 -9.978 29.042 -16.257 1.00 0.00 N ATOM 393 CA THR A 32 -8.839 29.957 -16.394 1.00 0.00 C ATOM 394 C THR A 32 -9.197 31.180 -17.238 1.00 0.00 C ATOM 395 O THR A 32 -8.433 31.607 -18.102 1.00 0.00 O ATOM 396 CB THR A 32 -7.581 29.250 -16.965 1.00 0.00 C ATOM 397 OG1 THR A 32 -7.873 28.609 -18.218 1.00 0.00 O ATOM 398 CG2 THR A 32 -7.057 28.217 -15.980 1.00 0.00 C ATOM 0 H THR A 32 -10.162 28.760 -15.294 1.00 0.00 H new ATOM 0 HA THR A 32 -8.596 30.297 -15.387 1.00 0.00 H new ATOM 0 HB THR A 32 -6.819 30.012 -17.129 1.00 0.00 H new ATOM 0 HG1 THR A 32 -8.692 28.991 -18.598 1.00 0.00 H new ATOM 0 HG21 THR A 32 -6.175 27.731 -16.397 1.00 0.00 H new ATOM 0 HG22 THR A 32 -6.792 28.708 -15.044 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.828 27.470 -15.792 1.00 0.00 H new ATOM 406 N CYS A 33 -10.366 31.728 -16.967 1.00 0.00 N ATOM 407 CA CYS A 33 -10.871 32.891 -17.670 1.00 0.00 C ATOM 408 C CYS A 33 -10.008 34.131 -17.418 1.00 0.00 C ATOM 409 O CYS A 33 -9.100 34.116 -16.593 1.00 0.00 O ATOM 410 CB CYS A 33 -12.299 33.157 -17.223 1.00 0.00 C ATOM 411 SG CYS A 33 -13.437 31.821 -17.600 1.00 0.00 S ATOM 0 H CYS A 33 -10.997 31.376 -16.247 1.00 0.00 H new ATOM 0 HA CYS A 33 -10.839 32.684 -18.740 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -12.306 33.335 -16.148 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -12.655 34.070 -17.700 1.00 0.00 H new ATOM 0 HG CYS A 33 -14.422 31.838 -16.752 1.00 0.00 H new ATOM 416 N ALA A 34 -10.301 35.195 -18.139 1.00 0.00 N ATOM 417 CA ALA A 34 -9.594 36.452 -17.969 1.00 0.00 C ATOM 418 C ALA A 34 -10.506 37.463 -17.298 1.00 0.00 C ATOM 419 O ALA A 34 -10.139 38.622 -17.085 1.00 0.00 O ATOM 420 CB ALA A 34 -9.117 36.976 -19.317 1.00 0.00 C ATOM 0 H ALA A 34 -11.029 35.215 -18.853 1.00 0.00 H new ATOM 0 HA ALA A 34 -8.721 36.289 -17.337 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -8.589 37.919 -19.175 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -8.445 36.249 -19.773 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -9.975 37.136 -19.970 1.00 0.00 H new ATOM 426 N ALA A 35 -11.695 37.006 -16.947 1.00 0.00 N ATOM 427 CA ALA A 35 -12.689 37.857 -16.332 1.00 0.00 C ATOM 428 C ALA A 35 -12.822 37.539 -14.859 1.00 0.00 C ATOM 429 O ALA A 35 -12.370 38.303 -14.011 1.00 0.00 O ATOM 430 CB ALA A 35 -14.027 37.699 -17.038 1.00 0.00 C ATOM 0 H ALA A 35 -11.994 36.040 -17.081 1.00 0.00 H new ATOM 0 HA ALA A 35 -12.367 38.894 -16.429 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -14.766 38.345 -16.565 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -13.920 37.977 -18.087 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -14.355 36.662 -16.969 1.00 0.00 H new ATOM 436 N CYS A 36 -13.416 36.395 -14.555 1.00 0.00 N ATOM 437 CA CYS A 36 -13.602 35.991 -13.177 1.00 0.00 C ATOM 438 C CYS A 36 -12.328 35.390 -12.601 1.00 0.00 C ATOM 439 O CYS A 36 -12.115 35.389 -11.387 1.00 0.00 O ATOM 440 CB CYS A 36 -14.772 35.020 -13.052 1.00 0.00 C ATOM 441 SG CYS A 36 -14.754 33.612 -14.200 1.00 0.00 S ATOM 0 H CYS A 36 -13.775 35.734 -15.244 1.00 0.00 H new ATOM 0 HA CYS A 36 -13.837 36.882 -12.595 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -14.792 34.634 -12.033 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -15.698 35.575 -13.201 1.00 0.00 H new ATOM 0 HG CYS A 36 -15.798 32.866 -13.988 1.00 0.00 H new ATOM 446 N LYS A 37 -11.471 34.890 -13.476 1.00 0.00 N ATOM 447 CA LYS A 37 -10.223 34.310 -13.044 1.00 0.00 C ATOM 448 C LYS A 37 -9.090 35.309 -13.110 1.00 0.00 C ATOM 449 O LYS A 37 -8.607 35.660 -14.182 1.00 0.00 O ATOM 450 CB LYS A 37 -9.888 33.033 -13.817 1.00 0.00 C ATOM 451 CG LYS A 37 -10.287 31.761 -13.084 1.00 0.00 C ATOM 452 CD LYS A 37 -11.755 31.779 -12.704 1.00 0.00 C ATOM 453 CE LYS A 37 -12.081 30.685 -11.709 1.00 0.00 C ATOM 454 NZ LYS A 37 -13.465 30.792 -11.199 1.00 0.00 N ATOM 0 H LYS A 37 -11.621 34.877 -14.485 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.350 34.029 -11.999 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.391 33.060 -14.784 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -8.817 33.008 -14.016 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.084 30.896 -13.716 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.679 31.650 -12.186 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.010 32.749 -12.277 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.366 31.654 -13.598 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.943 29.713 -12.182 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.382 30.735 -10.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.565 30.213 -10.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.676 31.785 -10.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -14.129 30.454 -11.924 1.00 0.00 H new ATOM 468 N THR A 38 -8.698 35.775 -11.951 1.00 0.00 N ATOM 469 CA THR A 38 -7.625 36.718 -11.805 1.00 0.00 C ATOM 470 C THR A 38 -7.319 36.869 -10.324 1.00 0.00 C ATOM 471 O THR A 38 -7.848 36.126 -9.506 1.00 0.00 O ATOM 472 CB THR A 38 -7.999 38.101 -12.415 1.00 0.00 C ATOM 473 OG1 THR A 38 -6.858 38.976 -12.404 1.00 0.00 O ATOM 474 CG2 THR A 38 -9.148 38.747 -11.643 1.00 0.00 C ATOM 0 H THR A 38 -9.126 35.502 -11.066 1.00 0.00 H new ATOM 0 HA THR A 38 -6.750 36.350 -12.340 1.00 0.00 H new ATOM 0 HB THR A 38 -8.319 37.938 -13.444 1.00 0.00 H new ATOM 0 HG1 THR A 38 -7.106 39.841 -12.792 1.00 0.00 H new ATOM 0 HG21 THR A 38 -9.389 39.712 -12.090 1.00 0.00 H new ATOM 0 HG22 THR A 38 -10.023 38.099 -11.684 1.00 0.00 H new ATOM 0 HG23 THR A 38 -8.852 38.892 -10.604 1.00 0.00 H new ATOM 482 N CYS A 39 -6.467 37.788 -9.991 1.00 0.00 N ATOM 483 CA CYS A 39 -6.134 38.069 -8.621 1.00 0.00 C ATOM 484 C CYS A 39 -6.083 39.572 -8.427 1.00 0.00 C ATOM 485 O CYS A 39 -5.409 40.274 -9.181 1.00 0.00 O ATOM 486 CB CYS A 39 -4.789 37.436 -8.253 1.00 0.00 C ATOM 487 SG CYS A 39 -4.342 37.603 -6.513 1.00 0.00 S ATOM 0 H CYS A 39 -5.975 38.373 -10.667 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.894 37.642 -7.967 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.817 36.377 -8.509 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.008 37.891 -8.862 1.00 0.00 H new ATOM 0 HG CYS A 39 -4.099 36.428 -6.013 1.00 0.00 H new ATOM 492 N ASN A 40 -6.811 40.066 -7.442 1.00 0.00 N ATOM 493 CA ASN A 40 -6.842 41.500 -7.158 1.00 0.00 C ATOM 494 C ASN A 40 -5.539 41.950 -6.532 1.00 0.00 C ATOM 495 O ASN A 40 -5.198 43.134 -6.559 1.00 0.00 O ATOM 496 CB ASN A 40 -8.015 41.860 -6.239 1.00 0.00 C ATOM 497 CG ASN A 40 -9.353 41.860 -6.956 1.00 0.00 C ATOM 498 OD1 ASN A 40 -9.768 42.873 -7.517 1.00 0.00 O ATOM 499 ND2 ASN A 40 -10.039 40.733 -6.936 1.00 0.00 N ATOM 0 H ASN A 40 -7.391 39.500 -6.822 1.00 0.00 H new ATOM 0 HA ASN A 40 -6.977 42.020 -8.107 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -8.052 41.151 -5.412 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -7.841 42.845 -5.806 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -10.948 40.681 -7.397 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -9.661 39.914 -6.460 1.00 0.00 H new ATOM 506 N CYS A 41 -4.813 41.000 -5.979 1.00 0.00 N ATOM 507 CA CYS A 41 -3.546 41.267 -5.348 1.00 0.00 C ATOM 508 C CYS A 41 -2.504 41.671 -6.382 1.00 0.00 C ATOM 509 O CYS A 41 -2.418 41.078 -7.463 1.00 0.00 O ATOM 510 CB CYS A 41 -3.101 40.037 -4.580 1.00 0.00 C ATOM 511 SG CYS A 41 -4.354 39.430 -3.426 1.00 0.00 S ATOM 0 H CYS A 41 -5.090 40.019 -5.957 1.00 0.00 H new ATOM 0 HA CYS A 41 -3.658 42.099 -4.653 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -2.852 39.245 -5.286 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -2.190 40.270 -4.029 1.00 0.00 H new ATOM 0 HG CYS A 41 -4.125 38.179 -3.156 1.00 0.00 H new ATOM 516 N THR A 42 -1.723 42.681 -6.058 1.00 0.00 N ATOM 517 CA THR A 42 -0.725 43.193 -6.972 1.00 0.00 C ATOM 518 C THR A 42 0.667 43.031 -6.383 1.00 0.00 C ATOM 519 O THR A 42 0.810 42.645 -5.227 1.00 0.00 O ATOM 520 CB THR A 42 -0.980 44.683 -7.268 1.00 0.00 C ATOM 521 OG1 THR A 42 -0.955 45.427 -6.042 1.00 0.00 O ATOM 522 CG2 THR A 42 -2.330 44.871 -7.942 1.00 0.00 C ATOM 0 H THR A 42 -1.762 43.166 -5.162 1.00 0.00 H new ATOM 0 HA THR A 42 -0.793 42.625 -7.900 1.00 0.00 H new ATOM 0 HB THR A 42 -0.199 45.043 -7.937 1.00 0.00 H new ATOM 0 HG1 THR A 42 -1.116 46.375 -6.231 1.00 0.00 H new ATOM 0 HG21 THR A 42 -2.492 45.930 -8.143 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.349 44.317 -8.880 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.119 44.501 -7.286 1.00 0.00 H new ATOM 530 N SER A 43 1.689 43.337 -7.178 1.00 0.00 N ATOM 531 CA SER A 43 3.078 43.252 -6.730 1.00 0.00 C ATOM 532 C SER A 43 3.338 44.214 -5.566 1.00 0.00 C ATOM 533 O SER A 43 4.292 44.047 -4.805 1.00 0.00 O ATOM 534 CB SER A 43 4.018 43.575 -7.890 1.00 0.00 C ATOM 535 OG SER A 43 3.699 42.795 -9.032 1.00 0.00 O ATOM 0 H SER A 43 1.581 43.648 -8.143 1.00 0.00 H new ATOM 0 HA SER A 43 3.265 42.236 -6.383 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.947 44.634 -8.137 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.049 43.386 -7.592 1.00 0.00 H new ATOM 0 HG SER A 43 4.312 43.019 -9.763 1.00 0.00 H new ATOM 541 N ASP A 44 2.473 45.215 -5.436 1.00 0.00 N ATOM 542 CA ASP A 44 2.590 46.204 -4.375 1.00 0.00 C ATOM 543 C ASP A 44 2.315 45.566 -3.024 1.00 0.00 C ATOM 544 O ASP A 44 2.993 45.852 -2.031 1.00 0.00 O ATOM 545 CB ASP A 44 1.611 47.352 -4.616 1.00 0.00 C ATOM 546 CG ASP A 44 1.758 48.468 -3.605 1.00 0.00 C ATOM 547 OD1 ASP A 44 2.641 49.330 -3.794 1.00 0.00 O ATOM 548 OD2 ASP A 44 0.988 48.497 -2.621 1.00 0.00 O ATOM 0 H ASP A 44 1.678 45.361 -6.058 1.00 0.00 H new ATOM 0 HA ASP A 44 3.607 46.597 -4.378 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.767 47.752 -5.618 1.00 0.00 H new ATOM 0 HB3 ASP A 44 0.592 46.968 -4.581 1.00 0.00 H new ATOM 553 N GLY A 45 1.337 44.684 -2.995 1.00 0.00 N ATOM 554 CA GLY A 45 0.981 44.025 -1.779 1.00 0.00 C ATOM 555 C GLY A 45 -0.215 43.132 -1.956 1.00 0.00 C ATOM 556 O GLY A 45 -1.102 43.421 -2.767 1.00 0.00 O ATOM 0 H GLY A 45 0.781 44.414 -3.806 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.826 43.434 -1.425 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.768 44.769 -1.011 1.00 0.00 H new ATOM 560 N CYS A 46 -0.231 42.034 -1.225 1.00 0.00 N ATOM 561 CA CYS A 46 -1.343 41.106 -1.268 1.00 0.00 C ATOM 562 C CYS A 46 -2.599 41.789 -0.751 1.00 0.00 C ATOM 563 O CYS A 46 -2.594 42.395 0.329 1.00 0.00 O ATOM 564 CB CYS A 46 -1.037 39.857 -0.441 1.00 0.00 C ATOM 565 SG CYS A 46 -2.281 38.546 -0.589 1.00 0.00 S ATOM 0 H CYS A 46 0.520 41.762 -0.590 1.00 0.00 H new ATOM 0 HA CYS A 46 -1.503 40.797 -2.301 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -0.069 39.460 -0.747 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -0.948 40.142 0.607 1.00 0.00 H new ATOM 0 HG CYS A 46 -3.065 38.803 -1.594 1.00 0.00 H new ATOM 570 N LYS A 47 -3.668 41.694 -1.507 1.00 0.00 N ATOM 571 CA LYS A 47 -4.895 42.370 -1.156 1.00 0.00 C ATOM 572 C LYS A 47 -5.860 41.460 -0.419 1.00 0.00 C ATOM 573 O LYS A 47 -6.850 41.931 0.143 1.00 0.00 O ATOM 574 CB LYS A 47 -5.562 42.984 -2.392 1.00 0.00 C ATOM 575 CG LYS A 47 -4.709 44.040 -3.101 1.00 0.00 C ATOM 576 CD LYS A 47 -4.250 45.146 -2.152 1.00 0.00 C ATOM 577 CE LYS A 47 -5.422 45.875 -1.517 1.00 0.00 C ATOM 578 NZ LYS A 47 -4.973 46.950 -0.600 1.00 0.00 N ATOM 0 H LYS A 47 -3.713 41.154 -2.371 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.627 43.177 -0.474 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.797 42.188 -3.098 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.508 43.436 -2.095 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.837 43.561 -3.546 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.283 44.479 -3.917 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.624 44.716 -1.370 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.633 45.859 -2.698 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.050 46.303 -2.298 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.038 45.163 -0.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.802 47.423 -0.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.395 46.539 0.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.406 47.643 -1.129 1.00 0.00 H new ATOM 592 N CYS A 48 -5.597 40.164 -0.422 1.00 0.00 N ATOM 593 CA CYS A 48 -6.457 39.251 0.324 1.00 0.00 C ATOM 594 C CYS A 48 -5.810 38.899 1.651 1.00 0.00 C ATOM 595 O CYS A 48 -6.474 38.848 2.689 1.00 0.00 O ATOM 596 CB CYS A 48 -6.783 37.985 -0.475 1.00 0.00 C ATOM 597 SG CYS A 48 -5.405 36.848 -0.686 1.00 0.00 S ATOM 0 H CYS A 48 -4.819 39.726 -0.916 1.00 0.00 H new ATOM 0 HA CYS A 48 -7.402 39.760 0.510 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -7.597 37.458 0.023 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -7.148 38.278 -1.460 1.00 0.00 H new ATOM 0 HG CYS A 48 -4.292 37.518 -0.730 1.00 0.00 H new ATOM 602 N GLY A 49 -4.515 38.671 1.619 1.00 0.00 N ATOM 603 CA GLY A 49 -3.796 38.372 2.822 1.00 0.00 C ATOM 604 C GLY A 49 -3.276 36.952 2.857 1.00 0.00 C ATOM 605 O GLY A 49 -2.910 36.443 3.918 1.00 0.00 O ATOM 0 H GLY A 49 -3.947 38.689 0.772 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.959 39.063 2.921 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -4.448 38.536 3.680 1.00 0.00 H new ATOM 609 N LYS A 50 -3.252 36.298 1.706 1.00 0.00 N ATOM 610 CA LYS A 50 -2.710 34.948 1.613 1.00 0.00 C ATOM 611 C LYS A 50 -1.251 35.014 1.188 1.00 0.00 C ATOM 612 O LYS A 50 -0.612 33.987 0.942 1.00 0.00 O ATOM 613 CB LYS A 50 -3.504 34.103 0.619 1.00 0.00 C ATOM 614 CG LYS A 50 -4.993 33.999 0.923 1.00 0.00 C ATOM 615 CD LYS A 50 -5.263 33.328 2.255 1.00 0.00 C ATOM 616 CE LYS A 50 -6.756 33.152 2.478 1.00 0.00 C ATOM 617 NZ LYS A 50 -7.057 32.541 3.795 1.00 0.00 N ATOM 0 H LYS A 50 -3.600 36.677 0.825 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.786 34.477 2.593 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -3.379 34.525 -0.378 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.080 33.099 0.596 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -5.431 34.997 0.926 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -5.485 33.437 0.129 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -4.769 32.357 2.285 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -4.838 33.926 3.061 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.249 34.122 2.408 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.169 32.527 1.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -8.086 32.440 3.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -6.609 31.604 3.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.687 33.150 4.553 1.00 0.00 H new ATOM 631 N GLU A 51 -0.740 36.243 1.115 1.00 0.00 N ATOM 632 CA GLU A 51 0.643 36.523 0.739 1.00 0.00 C ATOM 633 C GLU A 51 0.885 36.175 -0.735 1.00 0.00 C ATOM 634 O GLU A 51 1.947 35.671 -1.114 1.00 0.00 O ATOM 635 CB GLU A 51 1.628 35.789 1.669 1.00 0.00 C ATOM 636 CG GLU A 51 3.053 36.318 1.605 1.00 0.00 C ATOM 637 CD GLU A 51 3.963 35.670 2.622 1.00 0.00 C ATOM 638 OE1 GLU A 51 4.373 34.511 2.407 1.00 0.00 O ATOM 639 OE2 GLU A 51 4.287 36.323 3.634 1.00 0.00 O ATOM 0 H GLU A 51 -1.283 37.082 1.318 1.00 0.00 H new ATOM 0 HA GLU A 51 0.822 37.592 0.858 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.269 35.866 2.695 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.633 34.730 1.412 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.454 36.149 0.606 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.043 37.396 1.767 1.00 0.00 H new ATOM 646 N CYS A 52 -0.107 36.453 -1.557 1.00 0.00 N ATOM 647 CA CYS A 52 0.003 36.250 -2.979 1.00 0.00 C ATOM 648 C CYS A 52 -0.025 37.589 -3.679 1.00 0.00 C ATOM 649 O CYS A 52 -0.729 38.500 -3.261 1.00 0.00 O ATOM 650 CB CYS A 52 -1.119 35.356 -3.496 1.00 0.00 C ATOM 651 SG CYS A 52 -2.785 35.978 -3.203 1.00 0.00 S ATOM 0 H CYS A 52 -1.007 36.825 -1.255 1.00 0.00 H new ATOM 0 HA CYS A 52 0.948 35.749 -3.189 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -0.984 35.213 -4.568 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -1.026 34.375 -3.029 1.00 0.00 H new ATOM 0 HG CYS A 52 -2.752 36.886 -2.274 1.00 0.00 H new ATOM 656 N THR A 53 0.759 37.730 -4.711 1.00 0.00 N ATOM 657 CA THR A 53 0.811 38.973 -5.424 1.00 0.00 C ATOM 658 C THR A 53 0.811 38.731 -6.918 1.00 0.00 C ATOM 659 O THR A 53 1.801 38.256 -7.486 1.00 0.00 O ATOM 660 CB THR A 53 2.042 39.799 -5.008 1.00 0.00 C ATOM 661 OG1 THR A 53 3.229 39.002 -5.146 1.00 0.00 O ATOM 662 CG2 THR A 53 1.906 40.272 -3.559 1.00 0.00 C ATOM 0 H THR A 53 1.370 36.999 -5.076 1.00 0.00 H new ATOM 0 HA THR A 53 -0.080 39.546 -5.167 1.00 0.00 H new ATOM 0 HB THR A 53 2.111 40.672 -5.656 1.00 0.00 H new ATOM 0 HG1 THR A 53 3.174 38.473 -5.969 1.00 0.00 H new ATOM 0 HG21 THR A 53 2.785 40.854 -3.282 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.015 40.892 -3.461 1.00 0.00 H new ATOM 0 HG23 THR A 53 1.821 39.408 -2.901 1.00 0.00 H new ATOM 670 N GLY A 54 -0.315 39.015 -7.537 1.00 0.00 N ATOM 671 CA GLY A 54 -0.450 38.829 -8.956 1.00 0.00 C ATOM 672 C GLY A 54 -0.969 37.452 -9.281 1.00 0.00 C ATOM 673 O GLY A 54 -0.677 36.504 -8.560 1.00 0.00 O ATOM 0 H GLY A 54 -1.149 39.376 -7.074 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -1.128 39.580 -9.360 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.516 38.979 -9.438 1.00 0.00 H new ATOM 677 N PRO A 55 -1.745 37.297 -10.365 1.00 0.00 N ATOM 678 CA PRO A 55 -2.302 35.997 -10.751 1.00 0.00 C ATOM 679 C PRO A 55 -1.212 34.965 -11.007 1.00 0.00 C ATOM 680 O PRO A 55 -1.402 33.773 -10.774 1.00 0.00 O ATOM 681 CB PRO A 55 -3.079 36.295 -12.042 1.00 0.00 C ATOM 682 CG PRO A 55 -2.554 37.608 -12.522 1.00 0.00 C ATOM 683 CD PRO A 55 -2.137 38.366 -11.296 1.00 0.00 C ATOM 0 HA PRO A 55 -2.925 35.572 -9.964 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.922 35.513 -12.785 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -4.151 36.345 -11.853 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -1.710 37.466 -13.198 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.318 38.154 -13.076 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.310 39.045 -11.503 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -2.952 38.970 -10.898 1.00 0.00 H new ATOM 691 N ASP A 56 -0.063 35.443 -11.459 1.00 0.00 N ATOM 692 CA ASP A 56 1.075 34.585 -11.762 1.00 0.00 C ATOM 693 C ASP A 56 1.572 33.895 -10.505 1.00 0.00 C ATOM 694 O ASP A 56 1.789 32.682 -10.488 1.00 0.00 O ATOM 695 CB ASP A 56 2.211 35.408 -12.369 1.00 0.00 C ATOM 696 CG ASP A 56 1.764 36.239 -13.546 1.00 0.00 C ATOM 697 OD1 ASP A 56 1.326 37.389 -13.328 1.00 0.00 O ATOM 698 OD2 ASP A 56 1.839 35.751 -14.690 1.00 0.00 O ATOM 0 H ASP A 56 0.108 36.435 -11.626 1.00 0.00 H new ATOM 0 HA ASP A 56 0.750 33.831 -12.479 1.00 0.00 H new ATOM 0 HB2 ASP A 56 2.628 36.063 -11.604 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.011 34.738 -12.685 1.00 0.00 H new ATOM 703 N SER A 57 1.724 34.669 -9.448 1.00 0.00 N ATOM 704 CA SER A 57 2.228 34.156 -8.191 1.00 0.00 C ATOM 705 C SER A 57 1.095 33.925 -7.193 1.00 0.00 C ATOM 706 O SER A 57 1.328 33.834 -5.988 1.00 0.00 O ATOM 707 CB SER A 57 3.251 35.132 -7.613 1.00 0.00 C ATOM 708 OG SER A 57 4.277 35.402 -8.558 1.00 0.00 O ATOM 0 H SER A 57 1.503 35.665 -9.437 1.00 0.00 H new ATOM 0 HA SER A 57 2.707 33.195 -8.378 1.00 0.00 H new ATOM 0 HB2 SER A 57 2.756 36.061 -7.331 1.00 0.00 H new ATOM 0 HB3 SER A 57 3.687 34.715 -6.705 1.00 0.00 H new ATOM 0 HG SER A 57 4.922 36.030 -8.170 1.00 0.00 H new ATOM 714 N CYS A 58 -0.126 33.822 -7.696 1.00 0.00 N ATOM 715 CA CYS A 58 -1.266 33.594 -6.836 1.00 0.00 C ATOM 716 C CYS A 58 -1.294 32.153 -6.368 1.00 0.00 C ATOM 717 O CYS A 58 -1.233 31.222 -7.178 1.00 0.00 O ATOM 718 CB CYS A 58 -2.575 33.951 -7.541 1.00 0.00 C ATOM 719 SG CYS A 58 -4.044 33.825 -6.486 1.00 0.00 S ATOM 0 H CYS A 58 -0.347 33.893 -8.689 1.00 0.00 H new ATOM 0 HA CYS A 58 -1.166 34.245 -5.967 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -2.503 34.969 -7.924 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -2.702 33.295 -8.402 1.00 0.00 H new ATOM 0 HG CYS A 58 -4.532 32.622 -6.563 1.00 0.00 H new ATOM 724 N LYS A 59 -1.370 31.968 -5.065 1.00 0.00 N ATOM 725 CA LYS A 59 -1.400 30.638 -4.492 1.00 0.00 C ATOM 726 C LYS A 59 -2.821 30.244 -4.149 1.00 0.00 C ATOM 727 O LYS A 59 -3.085 29.114 -3.740 1.00 0.00 O ATOM 728 CB LYS A 59 -0.513 30.560 -3.244 1.00 0.00 C ATOM 729 CG LYS A 59 0.962 30.864 -3.500 1.00 0.00 C ATOM 730 CD LYS A 59 1.550 29.974 -4.594 1.00 0.00 C ATOM 731 CE LYS A 59 1.417 28.492 -4.258 1.00 0.00 C ATOM 732 NZ LYS A 59 1.961 27.628 -5.336 1.00 0.00 N ATOM 0 H LYS A 59 -1.412 32.724 -4.382 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.010 29.940 -5.233 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.892 31.260 -2.499 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.597 29.561 -2.815 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.072 31.910 -3.786 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.526 30.725 -2.578 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.045 30.178 -5.538 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.602 30.221 -4.735 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.942 28.283 -3.326 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.367 28.250 -4.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.851 26.629 -5.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.444 27.809 -6.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.969 27.840 -5.475 1.00 0.00 H new ATOM 746 N CYS A 60 -3.729 31.175 -4.321 1.00 0.00 N ATOM 747 CA CYS A 60 -5.117 30.938 -4.037 1.00 0.00 C ATOM 748 C CYS A 60 -5.818 30.383 -5.278 1.00 0.00 C ATOM 749 O CYS A 60 -5.534 30.794 -6.409 1.00 0.00 O ATOM 750 CB CYS A 60 -5.769 32.231 -3.575 1.00 0.00 C ATOM 751 SG CYS A 60 -4.802 33.126 -2.322 1.00 0.00 S ATOM 0 H CYS A 60 -3.523 32.114 -4.661 1.00 0.00 H new ATOM 0 HA CYS A 60 -5.206 30.200 -3.240 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -5.920 32.880 -4.437 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -6.755 32.006 -3.169 1.00 0.00 H new ATOM 0 HG CYS A 60 -4.163 34.107 -2.887 1.00 0.00 H new ATOM 756 N GLY A 61 -6.729 29.458 -5.065 1.00 0.00 N ATOM 757 CA GLY A 61 -7.399 28.807 -6.173 1.00 0.00 C ATOM 758 C GLY A 61 -8.884 29.079 -6.209 1.00 0.00 C ATOM 759 O GLY A 61 -9.686 28.198 -5.902 1.00 0.00 O ATOM 0 H GLY A 61 -7.022 29.140 -4.141 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.951 29.143 -7.108 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -7.234 27.731 -6.108 1.00 0.00 H new ATOM 763 N SER A 62 -9.244 30.305 -6.591 1.00 0.00 N ATOM 764 CA SER A 62 -10.640 30.738 -6.684 1.00 0.00 C ATOM 765 C SER A 62 -11.312 30.768 -5.297 1.00 0.00 C ATOM 766 O SER A 62 -10.761 30.264 -4.315 1.00 0.00 O ATOM 767 CB SER A 62 -11.431 29.840 -7.658 1.00 0.00 C ATOM 768 OG SER A 62 -12.695 30.409 -7.978 1.00 0.00 O ATOM 0 H SER A 62 -8.573 31.029 -6.846 1.00 0.00 H new ATOM 0 HA SER A 62 -10.645 31.755 -7.077 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.854 29.695 -8.571 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.576 28.856 -7.212 1.00 0.00 H new ATOM 0 HG SER A 62 -13.281 29.717 -8.349 1.00 0.00 H new ATOM 774 N SER A 63 -12.482 31.410 -5.228 1.00 0.00 N ATOM 775 CA SER A 63 -13.286 31.500 -3.998 1.00 0.00 C ATOM 776 C SER A 63 -12.640 32.409 -2.926 1.00 0.00 C ATOM 777 O SER A 63 -13.311 32.834 -1.980 1.00 0.00 O ATOM 778 CB SER A 63 -13.566 30.091 -3.429 1.00 0.00 C ATOM 779 OG SER A 63 -14.477 30.137 -2.342 1.00 0.00 O ATOM 0 H SER A 63 -12.903 31.885 -6.026 1.00 0.00 H new ATOM 0 HA SER A 63 -14.233 31.966 -4.271 1.00 0.00 H new ATOM 0 HB2 SER A 63 -13.970 29.454 -4.216 1.00 0.00 H new ATOM 0 HB3 SER A 63 -12.630 29.638 -3.101 1.00 0.00 H new ATOM 0 HG SER A 63 -14.374 30.987 -1.865 1.00 0.00 H new ATOM 785 N CYS A 64 -11.354 32.705 -3.074 1.00 0.00 N ATOM 786 CA CYS A 64 -10.651 33.550 -2.119 1.00 0.00 C ATOM 787 C CYS A 64 -11.013 35.018 -2.341 1.00 0.00 C ATOM 788 O CYS A 64 -11.559 35.378 -3.384 1.00 0.00 O ATOM 789 CB CYS A 64 -9.132 33.343 -2.225 1.00 0.00 C ATOM 790 SG CYS A 64 -8.177 34.089 -0.872 1.00 0.00 S ATOM 0 H CYS A 64 -10.778 32.372 -3.847 1.00 0.00 H new ATOM 0 HA CYS A 64 -10.962 33.266 -1.113 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -8.924 32.273 -2.253 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -8.786 33.760 -3.171 1.00 0.00 H new ATOM 0 HG CYS A 64 -7.364 34.981 -1.355 1.00 0.00 H new ATOM 795 N SER A 65 -10.692 35.853 -1.368 1.00 0.00 N ATOM 796 CA SER A 65 -11.028 37.268 -1.413 1.00 0.00 C ATOM 797 C SER A 65 -10.312 37.989 -2.562 1.00 0.00 C ATOM 798 O SER A 65 -10.786 39.017 -3.054 1.00 0.00 O ATOM 799 CB SER A 65 -10.676 37.915 -0.082 1.00 0.00 C ATOM 800 OG SER A 65 -11.153 37.126 0.998 1.00 0.00 O ATOM 0 H SER A 65 -10.192 35.571 -0.525 1.00 0.00 H new ATOM 0 HA SER A 65 -12.099 37.357 -1.594 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.595 38.034 -0.003 1.00 0.00 H new ATOM 0 HB3 SER A 65 -11.111 38.913 -0.030 1.00 0.00 H new ATOM 0 HG SER A 65 -10.917 37.556 1.846 1.00 0.00 H new ATOM 806 N CYS A 66 -9.181 37.440 -2.998 1.00 0.00 N ATOM 807 CA CYS A 66 -8.419 38.031 -4.090 1.00 0.00 C ATOM 808 C CYS A 66 -9.084 37.752 -5.435 1.00 0.00 C ATOM 809 O CYS A 66 -8.638 38.237 -6.473 1.00 0.00 O ATOM 810 CB CYS A 66 -6.990 37.489 -4.096 1.00 0.00 C ATOM 811 SG CYS A 66 -6.885 35.689 -4.163 1.00 0.00 S ATOM 0 H CYS A 66 -8.774 36.588 -2.611 1.00 0.00 H new ATOM 0 HA CYS A 66 -8.392 39.110 -3.935 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -6.459 37.905 -4.952 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -6.476 37.839 -3.201 1.00 0.00 H new ATOM 0 HG CYS A 66 -5.979 35.276 -3.327 1.00 0.00 H new ATOM 816 N LYS A 67 -10.154 36.977 -5.408 1.00 0.00 N ATOM 817 CA LYS A 67 -10.864 36.610 -6.622 1.00 0.00 C ATOM 818 C LYS A 67 -12.161 37.398 -6.735 1.00 0.00 C ATOM 819 O LYS A 67 -12.076 38.652 -6.784 1.00 0.00 O ATOM 820 CB LYS A 67 -11.156 35.108 -6.603 1.00 0.00 C ATOM 821 CG LYS A 67 -9.929 34.264 -6.290 1.00 0.00 C ATOM 822 CD LYS A 67 -8.957 34.227 -7.458 1.00 0.00 C ATOM 823 CE LYS A 67 -7.519 34.387 -6.986 1.00 0.00 C ATOM 824 NZ LYS A 67 -6.544 34.181 -8.074 1.00 0.00 N ATOM 0 H LYS A 67 -10.553 36.587 -4.554 1.00 0.00 H new ATOM 0 HA LYS A 67 -10.244 36.846 -7.487 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.929 34.904 -5.862 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.557 34.810 -7.572 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.426 34.666 -5.411 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -10.239 33.249 -6.043 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.064 33.283 -7.993 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.201 35.022 -8.163 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.386 35.384 -6.566 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.321 33.675 -6.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.579 34.284 -7.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.662 33.227 -8.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.703 34.887 -8.821 1.00 0.00 H new