USER MOD reduce.3.24.130724 H: found=0, std=0, add=366, rem=0, adj=35 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 25 CYS SG : rot 32:sc= -2.88! USER MOD Set 1.2: A 62 SER OG : rot -165:sc= 0.0278 USER MOD Set 2.1: A 39 CYS SG : rot 170:sc= 0.0326 USER MOD Set 2.2: A 41 CYS SG : rot 179:sc= 1.26 USER MOD Set 2.3: A 46 CYS SG : rot 60:sc= 1.78 USER MOD Set 2.4: A 48 CYS SG : rot -42:sc= -0.2 USER MOD Set 2.5: A 52 CYS SG : rot 180:sc= 0 USER MOD Set 2.6: A 58 CYS SG : rot 30:sc= 1.88 USER MOD Set 2.7: A 60 CYS SG : rot 180:sc= 0.163 USER MOD Set 2.8: A 64 CYS SG : rot 180:sc= -0.225 USER MOD Set 2.9: A 66 CYS SG : rot 180:sc= -0.972! USER MOD Set 2.10: A 67 LYS NZ :NH3+ -172:sc= -0.0503! (180deg=-0.303) USER MOD Set 3.1: A 10 CYS SG : rot 58:sc= -1.24! USER MOD Set 3.2: A 11 THR OG1 : rot -150:sc= 1.45 USER MOD Set 3.3: A 14 CYS SG : rot -22:sc= 0.0175 USER MOD Set 3.4: A 19 CYS SG : rot 180:sc= -3.01! USER MOD Set 3.5: A 21 CYS SG : rot 180:sc= 0.232 USER MOD Set 3.6: A 27 CYS SG : rot 180:sc= -4.42! USER MOD Set 3.7: A 31 CYS SG : rot 160:sc= 0.667 USER MOD Set 3.8: A 33 CYS SG : rot 180:sc= 0.384 USER MOD Set 3.9: A 36 CYS SG : rot 180:sc= 0.221 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 74:sc= 0.129 USER MOD Single : A 20 GLN : amide:sc= 0.722 K(o=0.72,f=-0.032) 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 -42:sc= 0.533 USER MOD Single : A 37 LYS NZ :NH3+ -165:sc= 1.23 (180deg=1.14) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0374 USER MOD Single : A 40 ASN :FLIP amide:sc= 0 F(o=-0.88!,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+ -162:sc= -0.0639 (180deg=-0.374) USER MOD Single : A 53 THR OG1 : rot 58:sc= 0.0369 USER MOD Single : A 57 SER OG : rot -36:sc= 0.598 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 98 N LYS A 9 15.947 -8.834 -17.985 1.00 0.00 N ATOM 99 CA LYS A 9 17.248 -8.311 -17.616 1.00 0.00 C ATOM 100 C LYS A 9 17.712 -8.874 -16.285 1.00 0.00 C ATOM 101 O LYS A 9 18.909 -9.065 -16.067 1.00 0.00 O ATOM 102 CB LYS A 9 17.209 -6.791 -17.545 1.00 0.00 C ATOM 103 CG LYS A 9 17.290 -6.085 -18.894 1.00 0.00 C ATOM 104 CD LYS A 9 16.018 -6.250 -19.711 1.00 0.00 C ATOM 105 CE LYS A 9 16.104 -5.482 -21.017 1.00 0.00 C ATOM 106 NZ LYS A 9 14.864 -5.605 -21.817 1.00 0.00 N ATOM 0 HA LYS A 9 17.957 -8.618 -18.385 1.00 0.00 H new ATOM 0 HB2 LYS A 9 16.288 -6.488 -17.047 1.00 0.00 H new ATOM 0 HB3 LYS A 9 18.035 -6.449 -16.922 1.00 0.00 H new ATOM 0 HG2 LYS A 9 17.481 -5.024 -18.735 1.00 0.00 H new ATOM 0 HG3 LYS A 9 18.135 -6.480 -19.458 1.00 0.00 H new ATOM 0 HD2 LYS A 9 15.849 -7.307 -19.917 1.00 0.00 H new ATOM 0 HD3 LYS A 9 15.163 -5.898 -19.134 1.00 0.00 H new ATOM 0 HE2 LYS A 9 16.297 -4.430 -20.807 1.00 0.00 H new ATOM 0 HE3 LYS A 9 16.949 -5.850 -21.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 14.966 -5.066 -22.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 14.693 -6.606 -22.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 14.061 -5.230 -21.273 1.00 0.00 H new ATOM 120 N CYS A 10 16.765 -9.128 -15.399 1.00 0.00 N ATOM 121 CA CYS A 10 17.076 -9.664 -14.090 1.00 0.00 C ATOM 122 C CYS A 10 17.657 -11.062 -14.195 1.00 0.00 C ATOM 123 O CYS A 10 17.165 -11.906 -14.960 1.00 0.00 O ATOM 124 CB CYS A 10 15.842 -9.659 -13.202 1.00 0.00 C ATOM 125 SG CYS A 10 15.182 -8.011 -12.905 1.00 0.00 S ATOM 0 H CYS A 10 15.771 -8.970 -15.565 1.00 0.00 H new ATOM 0 HA CYS A 10 17.830 -9.022 -13.634 1.00 0.00 H new ATOM 0 HB2 CYS A 10 15.069 -10.274 -13.663 1.00 0.00 H new ATOM 0 HB3 CYS A 10 16.089 -10.121 -12.246 1.00 0.00 H new ATOM 0 HG CYS A 10 14.896 -7.447 -14.041 1.00 0.00 H new ATOM 130 N THR A 11 18.686 -11.304 -13.418 1.00 0.00 N ATOM 131 CA THR A 11 19.398 -12.557 -13.436 1.00 0.00 C ATOM 132 C THR A 11 18.622 -13.601 -12.681 1.00 0.00 C ATOM 133 O THR A 11 17.598 -13.299 -12.071 1.00 0.00 O ATOM 134 CB THR A 11 20.760 -12.405 -12.753 1.00 0.00 C ATOM 135 OG1 THR A 11 20.561 -12.149 -11.358 1.00 0.00 O ATOM 136 CG2 THR A 11 21.535 -11.262 -13.361 1.00 0.00 C ATOM 0 H THR A 11 19.055 -10.628 -12.749 1.00 0.00 H new ATOM 0 HA THR A 11 19.528 -12.854 -14.477 1.00 0.00 H new ATOM 0 HB THR A 11 21.326 -13.326 -12.891 1.00 0.00 H new ATOM 0 HG1 THR A 11 21.298 -11.601 -11.018 1.00 0.00 H new ATOM 0 HG21 THR A 11 22.500 -11.170 -12.862 1.00 0.00 H new ATOM 0 HG22 THR A 11 21.692 -11.453 -14.423 1.00 0.00 H new ATOM 0 HG23 THR A 11 20.974 -10.336 -13.238 1.00 0.00 H new ATOM 144 N SER A 12 19.105 -14.819 -12.699 1.00 0.00 N ATOM 145 CA SER A 12 18.491 -15.869 -11.930 1.00 0.00 C ATOM 146 C SER A 12 18.750 -15.607 -10.448 1.00 0.00 C ATOM 147 O SER A 12 17.978 -16.012 -9.579 1.00 0.00 O ATOM 148 CB SER A 12 19.066 -17.219 -12.345 1.00 0.00 C ATOM 149 OG SER A 12 19.083 -17.342 -13.758 1.00 0.00 O ATOM 0 H SER A 12 19.922 -15.106 -13.238 1.00 0.00 H new ATOM 0 HA SER A 12 17.416 -15.887 -12.111 1.00 0.00 H new ATOM 0 HB2 SER A 12 20.078 -17.325 -11.953 1.00 0.00 H new ATOM 0 HB3 SER A 12 18.470 -18.023 -11.912 1.00 0.00 H new ATOM 0 HG SER A 12 19.457 -18.213 -14.006 1.00 0.00 H new ATOM 155 N ALA A 13 19.835 -14.885 -10.189 1.00 0.00 N ATOM 156 CA ALA A 13 20.251 -14.531 -8.845 1.00 0.00 C ATOM 157 C ALA A 13 19.293 -13.515 -8.224 1.00 0.00 C ATOM 158 O ALA A 13 18.951 -13.611 -7.043 1.00 0.00 O ATOM 159 CB ALA A 13 21.668 -13.973 -8.889 1.00 0.00 C ATOM 0 H ALA A 13 20.454 -14.527 -10.917 1.00 0.00 H new ATOM 0 HA ALA A 13 20.232 -15.425 -8.222 1.00 0.00 H new ATOM 0 HB1 ALA A 13 21.985 -13.705 -7.881 1.00 0.00 H new ATOM 0 HB2 ALA A 13 22.343 -14.727 -9.294 1.00 0.00 H new ATOM 0 HB3 ALA A 13 21.691 -13.087 -9.524 1.00 0.00 H new ATOM 165 N CYS A 14 18.858 -12.552 -9.028 1.00 0.00 N ATOM 166 CA CYS A 14 17.925 -11.519 -8.573 1.00 0.00 C ATOM 167 C CYS A 14 16.540 -12.116 -8.310 1.00 0.00 C ATOM 168 O CYS A 14 15.763 -11.603 -7.499 1.00 0.00 O ATOM 169 CB CYS A 14 17.830 -10.398 -9.622 1.00 0.00 C ATOM 170 SG CYS A 14 16.653 -9.077 -9.224 1.00 0.00 S ATOM 0 H CYS A 14 19.137 -12.462 -10.005 1.00 0.00 H new ATOM 0 HA CYS A 14 18.300 -11.102 -7.638 1.00 0.00 H new ATOM 0 HB2 CYS A 14 18.818 -9.957 -9.752 1.00 0.00 H new ATOM 0 HB3 CYS A 14 17.549 -10.839 -10.579 1.00 0.00 H new ATOM 0 HG CYS A 14 15.772 -9.521 -8.378 1.00 0.00 H new ATOM 175 N ARG A 15 16.248 -13.223 -8.978 1.00 0.00 N ATOM 176 CA ARG A 15 14.954 -13.882 -8.841 1.00 0.00 C ATOM 177 C ARG A 15 14.912 -14.753 -7.583 1.00 0.00 C ATOM 178 O ARG A 15 13.889 -15.354 -7.265 1.00 0.00 O ATOM 179 CB ARG A 15 14.651 -14.712 -10.092 1.00 0.00 C ATOM 180 CG ARG A 15 14.835 -13.922 -11.377 1.00 0.00 C ATOM 181 CD ARG A 15 14.591 -14.764 -12.617 1.00 0.00 C ATOM 182 NE ARG A 15 15.094 -14.090 -13.819 1.00 0.00 N ATOM 183 CZ ARG A 15 14.635 -14.288 -15.058 1.00 0.00 C ATOM 184 NH1 ARG A 15 13.658 -15.160 -15.285 1.00 0.00 N ATOM 185 NH2 ARG A 15 15.165 -13.617 -16.071 1.00 0.00 N ATOM 0 H ARG A 15 16.890 -13.685 -9.622 1.00 0.00 H new ATOM 0 HA ARG A 15 14.185 -13.116 -8.738 1.00 0.00 H new ATOM 0 HB2 ARG A 15 15.303 -15.585 -10.111 1.00 0.00 H new ATOM 0 HB3 ARG A 15 13.626 -15.080 -10.040 1.00 0.00 H new ATOM 0 HG2 ARG A 15 14.152 -13.072 -11.378 1.00 0.00 H new ATOM 0 HG3 ARG A 15 15.847 -13.518 -11.410 1.00 0.00 H new ATOM 0 HD2 ARG A 15 15.081 -15.731 -12.506 1.00 0.00 H new ATOM 0 HD3 ARG A 15 13.524 -14.958 -12.725 1.00 0.00 H new ATOM 0 HE ARG A 15 15.853 -13.419 -13.700 1.00 0.00 H new ATOM 0 HH11 ARG A 15 13.252 -15.685 -14.510 1.00 0.00 H new ATOM 0 HH12 ARG A 15 13.314 -15.305 -16.234 1.00 0.00 H new ATOM 0 HH21 ARG A 15 15.920 -12.952 -15.903 1.00 0.00 H new ATOM 0 HH22 ARG A 15 14.817 -13.765 -17.018 1.00 0.00 H new ATOM 199 N SER A 16 16.027 -14.813 -6.879 1.00 0.00 N ATOM 200 CA SER A 16 16.119 -15.556 -5.639 1.00 0.00 C ATOM 201 C SER A 16 16.115 -14.585 -4.457 1.00 0.00 C ATOM 202 O SER A 16 16.455 -13.411 -4.616 1.00 0.00 O ATOM 203 CB SER A 16 17.390 -16.405 -5.631 1.00 0.00 C ATOM 204 OG SER A 16 17.404 -17.303 -6.735 1.00 0.00 O ATOM 0 H SER A 16 16.893 -14.348 -7.152 1.00 0.00 H new ATOM 0 HA SER A 16 15.260 -16.221 -5.551 1.00 0.00 H new ATOM 0 HB2 SER A 16 18.266 -15.757 -5.672 1.00 0.00 H new ATOM 0 HB3 SER A 16 17.452 -16.966 -4.699 1.00 0.00 H new ATOM 0 HG SER A 16 17.587 -16.805 -7.559 1.00 0.00 H new ATOM 210 N GLU A 17 15.715 -15.061 -3.287 1.00 0.00 N ATOM 211 CA GLU A 17 15.687 -14.219 -2.100 1.00 0.00 C ATOM 212 C GLU A 17 16.431 -14.879 -0.936 1.00 0.00 C ATOM 213 O GLU A 17 16.212 -16.056 -0.632 1.00 0.00 O ATOM 214 CB GLU A 17 14.251 -13.876 -1.701 1.00 0.00 C ATOM 215 CG GLU A 17 13.359 -15.082 -1.476 1.00 0.00 C ATOM 216 CD GLU A 17 12.022 -14.700 -0.900 1.00 0.00 C ATOM 217 OE1 GLU A 17 11.115 -14.346 -1.676 1.00 0.00 O ATOM 218 OE2 GLU A 17 11.871 -14.754 0.340 1.00 0.00 O ATOM 0 H GLU A 17 15.407 -16.021 -3.134 1.00 0.00 H new ATOM 0 HA GLU A 17 16.201 -13.289 -2.344 1.00 0.00 H new ATOM 0 HB2 GLU A 17 14.273 -13.280 -0.789 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.810 -13.253 -2.479 1.00 0.00 H new ATOM 0 HG2 GLU A 17 13.210 -15.603 -2.422 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.857 -15.780 -0.803 1.00 0.00 H new ATOM 225 N PRO A 18 17.353 -14.134 -0.287 1.00 0.00 N ATOM 226 CA PRO A 18 17.673 -12.745 -0.659 1.00 0.00 C ATOM 227 C PRO A 18 18.355 -12.684 -2.015 1.00 0.00 C ATOM 228 O PRO A 18 18.752 -13.721 -2.560 1.00 0.00 O ATOM 229 CB PRO A 18 18.634 -12.294 0.442 1.00 0.00 C ATOM 230 CG PRO A 18 19.237 -13.554 0.954 1.00 0.00 C ATOM 231 CD PRO A 18 18.159 -14.594 0.850 1.00 0.00 C ATOM 0 HA PRO A 18 16.785 -12.118 -0.741 1.00 0.00 H new ATOM 0 HB2 PRO A 18 19.396 -11.620 0.051 1.00 0.00 H new ATOM 0 HB3 PRO A 18 18.108 -11.757 1.231 1.00 0.00 H new ATOM 0 HG2 PRO A 18 20.111 -13.836 0.367 1.00 0.00 H new ATOM 0 HG3 PRO A 18 19.570 -13.437 1.985 1.00 0.00 H new ATOM 0 HD2 PRO A 18 18.574 -15.587 0.674 1.00 0.00 H new ATOM 0 HD3 PRO A 18 17.568 -14.653 1.764 1.00 0.00 H new ATOM 239 N CYS A 19 18.499 -11.491 -2.563 1.00 0.00 N ATOM 240 CA CYS A 19 19.091 -11.351 -3.872 1.00 0.00 C ATOM 241 C CYS A 19 20.494 -11.921 -3.887 1.00 0.00 C ATOM 242 O CYS A 19 21.299 -11.666 -2.981 1.00 0.00 O ATOM 243 CB CYS A 19 19.111 -9.908 -4.330 1.00 0.00 C ATOM 244 SG CYS A 19 19.564 -9.729 -6.065 1.00 0.00 S ATOM 0 H CYS A 19 18.216 -10.615 -2.123 1.00 0.00 H new ATOM 0 HA CYS A 19 18.470 -11.914 -4.569 1.00 0.00 H new ATOM 0 HB2 CYS A 19 18.127 -9.467 -4.169 1.00 0.00 H new ATOM 0 HB3 CYS A 19 19.816 -9.347 -3.716 1.00 0.00 H new ATOM 0 HG CYS A 19 19.559 -8.470 -6.387 1.00 0.00 H new ATOM 249 N GLN A 20 20.782 -12.696 -4.906 1.00 0.00 N ATOM 250 CA GLN A 20 22.062 -13.344 -5.020 1.00 0.00 C ATOM 251 C GLN A 20 23.002 -12.540 -5.925 1.00 0.00 C ATOM 252 O GLN A 20 24.062 -13.022 -6.324 1.00 0.00 O ATOM 253 CB GLN A 20 21.878 -14.783 -5.527 1.00 0.00 C ATOM 254 CG GLN A 20 20.961 -15.632 -4.644 1.00 0.00 C ATOM 255 CD GLN A 20 21.534 -15.880 -3.259 1.00 0.00 C ATOM 256 OE1 GLN A 20 22.251 -16.853 -3.034 1.00 0.00 O ATOM 257 NE2 GLN A 20 21.202 -15.022 -2.317 1.00 0.00 N ATOM 0 H GLN A 20 20.139 -12.893 -5.673 1.00 0.00 H new ATOM 0 HA GLN A 20 22.526 -13.389 -4.035 1.00 0.00 H new ATOM 0 HB2 GLN A 20 21.470 -14.754 -6.537 1.00 0.00 H new ATOM 0 HB3 GLN A 20 22.854 -15.264 -5.591 1.00 0.00 H new ATOM 0 HG2 GLN A 20 19.996 -15.135 -4.548 1.00 0.00 H new ATOM 0 HG3 GLN A 20 20.779 -16.589 -5.133 1.00 0.00 H new ATOM 0 HE21 GLN A 20 20.605 -14.226 -2.540 1.00 0.00 H new ATOM 0 HE22 GLN A 20 21.542 -15.154 -1.364 1.00 0.00 H new ATOM 266 N CYS A 21 22.603 -11.301 -6.238 1.00 0.00 N ATOM 267 CA CYS A 21 23.425 -10.389 -7.036 1.00 0.00 C ATOM 268 C CYS A 21 24.218 -9.454 -6.124 1.00 0.00 C ATOM 269 O CYS A 21 24.624 -8.372 -6.545 1.00 0.00 O ATOM 270 CB CYS A 21 22.542 -9.532 -7.936 1.00 0.00 C ATOM 271 SG CYS A 21 21.658 -10.403 -9.239 1.00 0.00 S ATOM 0 H CYS A 21 21.708 -10.907 -5.947 1.00 0.00 H new ATOM 0 HA CYS A 21 24.104 -10.992 -7.639 1.00 0.00 H new ATOM 0 HB2 CYS A 21 21.812 -9.017 -7.311 1.00 0.00 H new ATOM 0 HB3 CYS A 21 23.164 -8.765 -8.397 1.00 0.00 H new ATOM 0 HG CYS A 21 20.948 -9.556 -9.923 1.00 0.00 H new ATOM 276 N GLY A 22 24.440 -9.891 -4.879 1.00 0.00 N ATOM 277 CA GLY A 22 25.133 -9.071 -3.886 1.00 0.00 C ATOM 278 C GLY A 22 26.402 -8.424 -4.411 1.00 0.00 C ATOM 279 O GLY A 22 26.579 -7.211 -4.298 1.00 0.00 O ATOM 0 H GLY A 22 24.149 -10.807 -4.538 1.00 0.00 H new ATOM 0 HA2 GLY A 22 24.457 -8.292 -3.534 1.00 0.00 H new ATOM 0 HA3 GLY A 22 25.381 -9.691 -3.024 1.00 0.00 H new ATOM 283 N SER A 23 27.278 -9.221 -4.983 1.00 0.00 N ATOM 284 CA SER A 23 28.516 -8.701 -5.531 1.00 0.00 C ATOM 285 C SER A 23 28.627 -9.011 -7.020 1.00 0.00 C ATOM 286 O SER A 23 29.369 -8.350 -7.750 1.00 0.00 O ATOM 287 CB SER A 23 29.712 -9.274 -4.771 1.00 0.00 C ATOM 288 OG SER A 23 29.639 -10.688 -4.699 1.00 0.00 O ATOM 0 H SER A 23 27.159 -10.229 -5.082 1.00 0.00 H new ATOM 0 HA SER A 23 28.514 -7.617 -5.414 1.00 0.00 H new ATOM 0 HB2 SER A 23 30.637 -8.979 -5.266 1.00 0.00 H new ATOM 0 HB3 SER A 23 29.742 -8.856 -3.765 1.00 0.00 H new ATOM 0 HG SER A 23 30.416 -11.031 -4.210 1.00 0.00 H new ATOM 294 N LYS A 24 27.876 -10.001 -7.473 1.00 0.00 N ATOM 295 CA LYS A 24 27.918 -10.405 -8.863 1.00 0.00 C ATOM 296 C LYS A 24 26.594 -10.140 -9.532 1.00 0.00 C ATOM 297 O LYS A 24 25.754 -11.035 -9.661 1.00 0.00 O ATOM 298 CB LYS A 24 28.297 -11.881 -9.000 1.00 0.00 C ATOM 299 CG LYS A 24 29.709 -12.199 -8.547 1.00 0.00 C ATOM 300 CD LYS A 24 30.039 -13.663 -8.761 1.00 0.00 C ATOM 301 CE LYS A 24 31.481 -13.960 -8.396 1.00 0.00 C ATOM 302 NZ LYS A 24 31.824 -15.387 -8.611 1.00 0.00 N ATOM 0 H LYS A 24 27.230 -10.539 -6.895 1.00 0.00 H new ATOM 0 HA LYS A 24 28.686 -9.812 -9.359 1.00 0.00 H new ATOM 0 HB2 LYS A 24 27.596 -12.481 -8.420 1.00 0.00 H new ATOM 0 HB3 LYS A 24 28.185 -12.179 -10.042 1.00 0.00 H new ATOM 0 HG2 LYS A 24 30.418 -11.580 -9.097 1.00 0.00 H new ATOM 0 HG3 LYS A 24 29.820 -11.949 -7.492 1.00 0.00 H new ATOM 0 HD2 LYS A 24 29.374 -14.280 -8.157 1.00 0.00 H new ATOM 0 HD3 LYS A 24 29.863 -13.930 -9.803 1.00 0.00 H new ATOM 0 HE2 LYS A 24 32.143 -13.334 -8.994 1.00 0.00 H new ATOM 0 HE3 LYS A 24 31.652 -13.699 -7.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 32.818 -15.548 -8.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 31.210 -15.984 -8.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 31.685 -15.630 -9.613 1.00 0.00 H new ATOM 316 N CYS A 25 26.396 -8.911 -9.930 1.00 0.00 N ATOM 317 CA CYS A 25 25.183 -8.525 -10.583 1.00 0.00 C ATOM 318 C CYS A 25 25.359 -8.567 -12.086 1.00 0.00 C ATOM 319 O CYS A 25 26.438 -8.262 -12.606 1.00 0.00 O ATOM 320 CB CYS A 25 24.759 -7.135 -10.143 1.00 0.00 C ATOM 321 SG CYS A 25 23.228 -6.584 -10.902 1.00 0.00 S ATOM 0 H CYS A 25 27.071 -8.156 -9.809 1.00 0.00 H new ATOM 0 HA CYS A 25 24.401 -9.230 -10.301 1.00 0.00 H new ATOM 0 HB2 CYS A 25 24.643 -7.124 -9.059 1.00 0.00 H new ATOM 0 HB3 CYS A 25 25.552 -6.427 -10.386 1.00 0.00 H new ATOM 0 HG CYS A 25 22.455 -7.608 -11.114 1.00 0.00 H new ATOM 326 N GLN A 26 24.310 -8.963 -12.779 1.00 0.00 N ATOM 327 CA GLN A 26 24.333 -9.057 -14.226 1.00 0.00 C ATOM 328 C GLN A 26 23.006 -8.580 -14.807 1.00 0.00 C ATOM 329 O GLN A 26 22.663 -8.896 -15.953 1.00 0.00 O ATOM 330 CB GLN A 26 24.619 -10.501 -14.656 1.00 0.00 C ATOM 331 CG GLN A 26 26.015 -10.984 -14.300 1.00 0.00 C ATOM 332 CD GLN A 26 26.240 -12.433 -14.652 1.00 0.00 C ATOM 333 OE1 GLN A 26 26.003 -13.326 -13.838 1.00 0.00 O ATOM 334 NE2 GLN A 26 26.700 -12.677 -15.862 1.00 0.00 N ATOM 0 H GLN A 26 23.420 -9.228 -12.357 1.00 0.00 H new ATOM 0 HA GLN A 26 25.128 -8.416 -14.608 1.00 0.00 H new ATOM 0 HB2 GLN A 26 23.887 -11.160 -14.190 1.00 0.00 H new ATOM 0 HB3 GLN A 26 24.481 -10.583 -15.734 1.00 0.00 H new ATOM 0 HG2 GLN A 26 26.750 -10.370 -14.820 1.00 0.00 H new ATOM 0 HG3 GLN A 26 26.181 -10.844 -13.232 1.00 0.00 H new ATOM 0 HE21 GLN A 26 26.882 -11.905 -16.504 1.00 0.00 H new ATOM 0 HE22 GLN A 26 26.874 -13.638 -16.157 1.00 0.00 H new ATOM 343 N CYS A 27 22.262 -7.819 -14.010 1.00 0.00 N ATOM 344 CA CYS A 27 20.977 -7.293 -14.438 1.00 0.00 C ATOM 345 C CYS A 27 21.161 -6.095 -15.361 1.00 0.00 C ATOM 346 O CYS A 27 22.289 -5.681 -15.648 1.00 0.00 O ATOM 347 CB CYS A 27 20.112 -6.908 -13.230 1.00 0.00 C ATOM 348 SG CYS A 27 19.493 -8.314 -12.273 1.00 0.00 S ATOM 0 H CYS A 27 22.531 -7.554 -13.062 1.00 0.00 H new ATOM 0 HA CYS A 27 20.463 -8.079 -14.992 1.00 0.00 H new ATOM 0 HB2 CYS A 27 20.696 -6.265 -12.571 1.00 0.00 H new ATOM 0 HB3 CYS A 27 19.263 -6.320 -13.579 1.00 0.00 H new ATOM 0 HG CYS A 27 18.778 -7.880 -11.277 1.00 0.00 H new ATOM 353 N GLY A 28 20.061 -5.545 -15.826 1.00 0.00 N ATOM 354 CA GLY A 28 20.125 -4.412 -16.722 1.00 0.00 C ATOM 355 C GLY A 28 19.234 -3.280 -16.278 1.00 0.00 C ATOM 356 O GLY A 28 19.207 -2.934 -15.102 1.00 0.00 O ATOM 0 H GLY A 28 19.118 -5.861 -15.601 1.00 0.00 H new ATOM 0 HA2 GLY A 28 21.154 -4.058 -16.784 1.00 0.00 H new ATOM 0 HA3 GLY A 28 19.835 -4.728 -17.724 1.00 0.00 H new ATOM 360 N GLU A 29 18.505 -2.707 -17.217 1.00 0.00 N ATOM 361 CA GLU A 29 17.591 -1.608 -16.925 1.00 0.00 C ATOM 362 C GLU A 29 16.213 -2.138 -16.569 1.00 0.00 C ATOM 363 O GLU A 29 15.356 -1.404 -16.094 1.00 0.00 O ATOM 364 CB GLU A 29 17.507 -0.616 -18.107 1.00 0.00 C ATOM 365 CG GLU A 29 17.088 -1.233 -19.447 1.00 0.00 C ATOM 366 CD GLU A 29 18.189 -2.049 -20.098 1.00 0.00 C ATOM 367 OE1 GLU A 29 18.294 -3.252 -19.805 1.00 0.00 O ATOM 368 OE2 GLU A 29 18.961 -1.486 -20.899 1.00 0.00 O ATOM 0 H GLU A 29 18.526 -2.984 -18.198 1.00 0.00 H new ATOM 0 HA GLU A 29 17.985 -1.066 -16.065 1.00 0.00 H new ATOM 0 HB2 GLU A 29 16.799 0.172 -17.850 1.00 0.00 H new ATOM 0 HB3 GLU A 29 18.480 -0.141 -18.232 1.00 0.00 H new ATOM 0 HG2 GLU A 29 16.217 -1.869 -19.290 1.00 0.00 H new ATOM 0 HG3 GLU A 29 16.784 -0.437 -20.127 1.00 0.00 H new ATOM 375 N GLY A 30 16.018 -3.426 -16.789 1.00 0.00 N ATOM 376 CA GLY A 30 14.754 -4.052 -16.469 1.00 0.00 C ATOM 377 C GLY A 30 14.769 -4.674 -15.090 1.00 0.00 C ATOM 378 O GLY A 30 14.195 -5.738 -14.878 1.00 0.00 O ATOM 0 H GLY A 30 16.717 -4.054 -17.186 1.00 0.00 H new ATOM 0 HA2 GLY A 30 13.957 -3.311 -16.525 1.00 0.00 H new ATOM 0 HA3 GLY A 30 14.530 -4.818 -17.211 1.00 0.00 H new ATOM 382 N CYS A 31 15.439 -4.012 -14.161 1.00 0.00 N ATOM 383 CA CYS A 31 15.533 -4.482 -12.792 1.00 0.00 C ATOM 384 C CYS A 31 14.787 -3.537 -11.871 1.00 0.00 C ATOM 385 O CYS A 31 14.898 -2.316 -11.998 1.00 0.00 O ATOM 386 CB CYS A 31 17.003 -4.588 -12.355 1.00 0.00 C ATOM 387 SG CYS A 31 17.243 -5.062 -10.617 1.00 0.00 S ATOM 0 H CYS A 31 15.931 -3.136 -14.336 1.00 0.00 H new ATOM 0 HA CYS A 31 15.083 -5.473 -12.733 1.00 0.00 H new ATOM 0 HB2 CYS A 31 17.505 -5.318 -12.990 1.00 0.00 H new ATOM 0 HB3 CYS A 31 17.490 -3.628 -12.527 1.00 0.00 H new ATOM 0 HG CYS A 31 18.445 -5.532 -10.457 1.00 0.00 H new ATOM 392 N THR A 32 14.020 -4.091 -10.960 1.00 0.00 N ATOM 393 CA THR A 32 13.273 -3.288 -10.020 1.00 0.00 C ATOM 394 C THR A 32 13.715 -3.603 -8.593 1.00 0.00 C ATOM 395 O THR A 32 13.071 -3.194 -7.623 1.00 0.00 O ATOM 396 CB THR A 32 11.744 -3.517 -10.167 1.00 0.00 C ATOM 397 OG1 THR A 32 11.023 -2.544 -9.395 1.00 0.00 O ATOM 398 CG2 THR A 32 11.352 -4.917 -9.707 1.00 0.00 C ATOM 0 H THR A 32 13.897 -5.098 -10.850 1.00 0.00 H new ATOM 0 HA THR A 32 13.478 -2.240 -10.238 1.00 0.00 H new ATOM 0 HB THR A 32 11.489 -3.412 -11.222 1.00 0.00 H new ATOM 0 HG1 THR A 32 11.462 -2.425 -8.527 1.00 0.00 H new ATOM 0 HG21 THR A 32 10.276 -5.050 -9.821 1.00 0.00 H new ATOM 0 HG22 THR A 32 11.875 -5.658 -10.311 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.624 -5.045 -8.659 1.00 0.00 H new ATOM 406 N CYS A 33 14.824 -4.311 -8.471 1.00 0.00 N ATOM 407 CA CYS A 33 15.338 -4.691 -7.176 1.00 0.00 C ATOM 408 C CYS A 33 16.118 -3.534 -6.563 1.00 0.00 C ATOM 409 O CYS A 33 16.436 -2.556 -7.247 1.00 0.00 O ATOM 410 CB CYS A 33 16.228 -5.930 -7.305 1.00 0.00 C ATOM 411 SG CYS A 33 16.705 -6.691 -5.726 1.00 0.00 S ATOM 0 H CYS A 33 15.385 -4.633 -9.260 1.00 0.00 H new ATOM 0 HA CYS A 33 14.502 -4.933 -6.520 1.00 0.00 H new ATOM 0 HB2 CYS A 33 15.707 -6.674 -7.908 1.00 0.00 H new ATOM 0 HB3 CYS A 33 17.132 -5.656 -7.848 1.00 0.00 H new ATOM 0 HG CYS A 33 17.453 -7.730 -5.953 1.00 0.00 H new ATOM 416 N ALA A 34 16.405 -3.630 -5.282 1.00 0.00 N ATOM 417 CA ALA A 34 17.148 -2.590 -4.591 1.00 0.00 C ATOM 418 C ALA A 34 18.474 -3.124 -4.070 1.00 0.00 C ATOM 419 O ALA A 34 19.316 -2.367 -3.592 1.00 0.00 O ATOM 420 CB ALA A 34 16.320 -2.025 -3.452 1.00 0.00 C ATOM 0 H ALA A 34 16.135 -4.419 -4.694 1.00 0.00 H new ATOM 0 HA ALA A 34 17.361 -1.791 -5.301 1.00 0.00 H new ATOM 0 HB1 ALA A 34 16.887 -1.247 -2.941 1.00 0.00 H new ATOM 0 HB2 ALA A 34 15.397 -1.601 -3.848 1.00 0.00 H new ATOM 0 HB3 ALA A 34 16.080 -2.821 -2.747 1.00 0.00 H new ATOM 426 N ALA A 35 18.662 -4.431 -4.177 1.00 0.00 N ATOM 427 CA ALA A 35 19.868 -5.072 -3.683 1.00 0.00 C ATOM 428 C ALA A 35 21.021 -4.915 -4.662 1.00 0.00 C ATOM 429 O ALA A 35 22.089 -4.421 -4.307 1.00 0.00 O ATOM 430 CB ALA A 35 19.608 -6.541 -3.406 1.00 0.00 C ATOM 0 H ALA A 35 17.991 -5.069 -4.604 1.00 0.00 H new ATOM 0 HA ALA A 35 20.151 -4.580 -2.752 1.00 0.00 H new ATOM 0 HB1 ALA A 35 20.521 -7.009 -3.036 1.00 0.00 H new ATOM 0 HB2 ALA A 35 18.822 -6.636 -2.657 1.00 0.00 H new ATOM 0 HB3 ALA A 35 19.294 -7.035 -4.326 1.00 0.00 H new ATOM 436 N CYS A 36 20.795 -5.327 -5.891 1.00 0.00 N ATOM 437 CA CYS A 36 21.820 -5.271 -6.916 1.00 0.00 C ATOM 438 C CYS A 36 21.907 -3.887 -7.556 1.00 0.00 C ATOM 439 O CYS A 36 22.900 -3.549 -8.205 1.00 0.00 O ATOM 440 CB CYS A 36 21.551 -6.342 -7.960 1.00 0.00 C ATOM 441 SG CYS A 36 19.820 -6.463 -8.487 1.00 0.00 S ATOM 0 H CYS A 36 19.903 -5.708 -6.208 1.00 0.00 H new ATOM 0 HA CYS A 36 22.786 -5.461 -6.449 1.00 0.00 H new ATOM 0 HB2 CYS A 36 22.170 -6.142 -8.834 1.00 0.00 H new ATOM 0 HB3 CYS A 36 21.864 -7.307 -7.561 1.00 0.00 H new ATOM 0 HG CYS A 36 19.702 -7.403 -9.378 1.00 0.00 H new ATOM 446 N LYS A 37 20.881 -3.084 -7.349 1.00 0.00 N ATOM 447 CA LYS A 37 20.847 -1.745 -7.898 1.00 0.00 C ATOM 448 C LYS A 37 21.775 -0.812 -7.117 1.00 0.00 C ATOM 449 O LYS A 37 21.439 -0.348 -6.025 1.00 0.00 O ATOM 450 CB LYS A 37 19.415 -1.206 -7.902 1.00 0.00 C ATOM 451 CG LYS A 37 19.294 0.215 -8.423 1.00 0.00 C ATOM 452 CD LYS A 37 17.852 0.679 -8.430 1.00 0.00 C ATOM 453 CE LYS A 37 17.749 2.128 -8.857 1.00 0.00 C ATOM 454 NZ LYS A 37 16.343 2.585 -8.944 1.00 0.00 N ATOM 0 H LYS A 37 20.058 -3.338 -6.803 1.00 0.00 H new ATOM 0 HA LYS A 37 21.202 -1.788 -8.928 1.00 0.00 H new ATOM 0 HB2 LYS A 37 18.793 -1.860 -8.512 1.00 0.00 H new ATOM 0 HB3 LYS A 37 19.020 -1.245 -6.887 1.00 0.00 H new ATOM 0 HG2 LYS A 37 19.890 0.884 -7.802 1.00 0.00 H new ATOM 0 HG3 LYS A 37 19.701 0.270 -9.433 1.00 0.00 H new ATOM 0 HD2 LYS A 37 17.269 0.055 -9.107 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.423 0.558 -7.435 1.00 0.00 H new ATOM 0 HE2 LYS A 37 18.290 2.754 -8.147 1.00 0.00 H new ATOM 0 HE3 LYS A 37 18.232 2.255 -9.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 16.301 3.479 -9.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 15.774 1.866 -9.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 15.966 2.732 -7.986 1.00 0.00 H new ATOM 468 N THR A 38 22.945 -0.569 -7.669 1.00 0.00 N ATOM 469 CA THR A 38 23.920 0.311 -7.056 1.00 0.00 C ATOM 470 C THR A 38 24.020 1.621 -7.851 1.00 0.00 C ATOM 471 O THR A 38 23.300 1.813 -8.830 1.00 0.00 O ATOM 472 CB THR A 38 25.312 -0.377 -6.970 1.00 0.00 C ATOM 473 OG1 THR A 38 26.241 0.457 -6.265 1.00 0.00 O ATOM 474 CG2 THR A 38 25.856 -0.688 -8.359 1.00 0.00 C ATOM 0 H THR A 38 23.248 -0.975 -8.554 1.00 0.00 H new ATOM 0 HA THR A 38 23.591 0.536 -6.042 1.00 0.00 H new ATOM 0 HB THR A 38 25.186 -1.314 -6.427 1.00 0.00 H new ATOM 0 HG1 THR A 38 27.112 0.010 -6.218 1.00 0.00 H new ATOM 0 HG21 THR A 38 26.830 -1.169 -8.269 1.00 0.00 H new ATOM 0 HG22 THR A 38 25.168 -1.356 -8.878 1.00 0.00 H new ATOM 0 HG23 THR A 38 25.959 0.238 -8.925 1.00 0.00 H new ATOM 482 N CYS A 39 24.893 2.516 -7.422 1.00 0.00 N ATOM 483 CA CYS A 39 25.078 3.796 -8.087 1.00 0.00 C ATOM 484 C CYS A 39 26.415 4.406 -7.681 1.00 0.00 C ATOM 485 O CYS A 39 26.905 4.159 -6.579 1.00 0.00 O ATOM 486 CB CYS A 39 23.925 4.741 -7.738 1.00 0.00 C ATOM 487 SG CYS A 39 23.939 6.323 -8.610 1.00 0.00 S ATOM 0 H CYS A 39 25.491 2.378 -6.607 1.00 0.00 H new ATOM 0 HA CYS A 39 25.082 3.641 -9.166 1.00 0.00 H new ATOM 0 HB2 CYS A 39 22.984 4.235 -7.951 1.00 0.00 H new ATOM 0 HB3 CYS A 39 23.947 4.935 -6.666 1.00 0.00 H new ATOM 0 HG CYS A 39 22.816 6.944 -8.400 1.00 0.00 H new ATOM 492 N ASN A 40 27.006 5.187 -8.575 1.00 0.00 N ATOM 493 CA ASN A 40 28.301 5.814 -8.308 1.00 0.00 C ATOM 494 C ASN A 40 28.169 7.310 -8.086 1.00 0.00 C ATOM 495 O ASN A 40 29.069 7.941 -7.524 1.00 0.00 O ATOM 496 CB ASN A 40 29.298 5.526 -9.435 1.00 0.00 C ATOM 497 CG ASN A 40 29.926 4.145 -9.326 1.00 0.00 C ATOM 498 OD1 ASN A 40 29.262 3.149 -9.873 1.00 0.00 O flip ATOM 499 ND2 ASN A 40 30.995 3.978 -8.738 1.00 0.00 N flip ATOM 0 H ASN A 40 26.613 5.404 -9.491 1.00 0.00 H new ATOM 0 HA ASN A 40 28.684 5.374 -7.387 1.00 0.00 H new ATOM 0 HB2 ASN A 40 28.790 5.615 -10.395 1.00 0.00 H new ATOM 0 HB3 ASN A 40 30.085 6.280 -9.420 1.00 0.00 H new ATOM 0 HD21 ASN A 40 31.481 4.775 -8.327 1.00 0.00 H new ATOM 0 HD22 ASN A 40 31.395 3.043 -8.662 1.00 0.00 H new ATOM 506 N CYS A 41 27.060 7.888 -8.523 1.00 0.00 N ATOM 507 CA CYS A 41 26.833 9.298 -8.315 1.00 0.00 C ATOM 508 C CYS A 41 26.451 9.531 -6.858 1.00 0.00 C ATOM 509 O CYS A 41 25.632 8.801 -6.297 1.00 0.00 O ATOM 510 CB CYS A 41 25.756 9.827 -9.266 1.00 0.00 C ATOM 511 SG CYS A 41 26.167 9.642 -11.038 1.00 0.00 S ATOM 0 H CYS A 41 26.313 7.402 -9.019 1.00 0.00 H new ATOM 0 HA CYS A 41 27.748 9.848 -8.534 1.00 0.00 H new ATOM 0 HB2 CYS A 41 24.821 9.305 -9.065 1.00 0.00 H new ATOM 0 HB3 CYS A 41 25.584 10.882 -9.052 1.00 0.00 H new ATOM 0 HG CYS A 41 25.186 10.096 -11.761 1.00 0.00 H new ATOM 516 N THR A 42 27.056 10.521 -6.246 1.00 0.00 N ATOM 517 CA THR A 42 26.844 10.783 -4.837 1.00 0.00 C ATOM 518 C THR A 42 25.927 11.969 -4.620 1.00 0.00 C ATOM 519 O THR A 42 25.533 12.643 -5.568 1.00 0.00 O ATOM 520 CB THR A 42 28.182 11.031 -4.112 1.00 0.00 C ATOM 521 OG1 THR A 42 28.946 12.011 -4.830 1.00 0.00 O ATOM 522 CG2 THR A 42 28.983 9.741 -3.994 1.00 0.00 C ATOM 0 H THR A 42 27.703 11.164 -6.702 1.00 0.00 H new ATOM 0 HA THR A 42 26.369 9.896 -4.419 1.00 0.00 H new ATOM 0 HB THR A 42 27.968 11.396 -3.108 1.00 0.00 H new ATOM 0 HG1 THR A 42 29.795 12.168 -4.366 1.00 0.00 H new ATOM 0 HG21 THR A 42 29.922 9.942 -3.479 1.00 0.00 H new ATOM 0 HG22 THR A 42 28.409 9.007 -3.429 1.00 0.00 H new ATOM 0 HG23 THR A 42 29.191 9.350 -4.990 1.00 0.00 H new ATOM 530 N SER A 43 25.616 12.236 -3.360 1.00 0.00 N ATOM 531 CA SER A 43 24.730 13.326 -2.975 1.00 0.00 C ATOM 532 C SER A 43 25.377 14.696 -3.207 1.00 0.00 C ATOM 533 O SER A 43 24.778 15.732 -2.924 1.00 0.00 O ATOM 534 CB SER A 43 24.349 13.165 -1.514 1.00 0.00 C ATOM 535 OG SER A 43 23.878 11.849 -1.259 1.00 0.00 O ATOM 0 H SER A 43 25.974 11.699 -2.570 1.00 0.00 H new ATOM 0 HA SER A 43 23.838 13.281 -3.600 1.00 0.00 H new ATOM 0 HB2 SER A 43 25.212 13.376 -0.883 1.00 0.00 H new ATOM 0 HB3 SER A 43 23.578 13.890 -1.252 1.00 0.00 H new ATOM 0 HG SER A 43 23.639 11.765 -0.312 1.00 0.00 H new ATOM 541 N ASP A 44 26.594 14.688 -3.720 1.00 0.00 N ATOM 542 CA ASP A 44 27.308 15.916 -4.016 1.00 0.00 C ATOM 543 C ASP A 44 26.952 16.404 -5.412 1.00 0.00 C ATOM 544 O ASP A 44 27.077 17.587 -5.725 1.00 0.00 O ATOM 545 CB ASP A 44 28.811 15.686 -3.909 1.00 0.00 C ATOM 546 CG ASP A 44 29.620 16.937 -4.176 1.00 0.00 C ATOM 547 OD1 ASP A 44 30.206 17.048 -5.273 1.00 0.00 O ATOM 548 OD2 ASP A 44 29.682 17.810 -3.282 1.00 0.00 O ATOM 0 H ASP A 44 27.112 13.837 -3.942 1.00 0.00 H new ATOM 0 HA ASP A 44 27.016 16.677 -3.292 1.00 0.00 H new ATOM 0 HB2 ASP A 44 29.046 15.314 -2.912 1.00 0.00 H new ATOM 0 HB3 ASP A 44 29.106 14.911 -4.617 1.00 0.00 H new ATOM 553 N GLY A 45 26.500 15.486 -6.245 1.00 0.00 N ATOM 554 CA GLY A 45 26.137 15.833 -7.590 1.00 0.00 C ATOM 555 C GLY A 45 26.148 14.635 -8.505 1.00 0.00 C ATOM 556 O GLY A 45 26.867 13.660 -8.258 1.00 0.00 O ATOM 0 H GLY A 45 26.379 14.501 -6.008 1.00 0.00 H new ATOM 0 HA2 GLY A 45 25.144 16.282 -7.593 1.00 0.00 H new ATOM 0 HA3 GLY A 45 26.828 16.585 -7.969 1.00 0.00 H new ATOM 560 N CYS A 46 25.354 14.704 -9.552 1.00 0.00 N ATOM 561 CA CYS A 46 25.265 13.635 -10.524 1.00 0.00 C ATOM 562 C CYS A 46 26.517 13.628 -11.399 1.00 0.00 C ATOM 563 O CYS A 46 26.989 14.687 -11.827 1.00 0.00 O ATOM 564 CB CYS A 46 24.015 13.826 -11.384 1.00 0.00 C ATOM 565 SG CYS A 46 23.766 12.551 -12.636 1.00 0.00 S ATOM 0 H CYS A 46 24.752 15.502 -9.754 1.00 0.00 H new ATOM 0 HA CYS A 46 25.194 12.678 -10.007 1.00 0.00 H new ATOM 0 HB2 CYS A 46 23.142 13.853 -10.732 1.00 0.00 H new ATOM 0 HB3 CYS A 46 24.074 14.796 -11.878 1.00 0.00 H new ATOM 0 HG CYS A 46 23.656 11.392 -12.059 1.00 0.00 H new ATOM 570 N LYS A 47 27.052 12.450 -11.658 1.00 0.00 N ATOM 571 CA LYS A 47 28.279 12.328 -12.433 1.00 0.00 C ATOM 572 C LYS A 47 28.020 11.773 -13.827 1.00 0.00 C ATOM 573 O LYS A 47 28.780 12.038 -14.759 1.00 0.00 O ATOM 574 CB LYS A 47 29.285 11.433 -11.702 1.00 0.00 C ATOM 575 CG LYS A 47 29.635 11.904 -10.299 1.00 0.00 C ATOM 576 CD LYS A 47 30.241 13.294 -10.315 1.00 0.00 C ATOM 577 CE LYS A 47 30.618 13.752 -8.918 1.00 0.00 C ATOM 578 NZ LYS A 47 31.176 15.125 -8.921 1.00 0.00 N ATOM 0 H LYS A 47 26.659 11.562 -11.345 1.00 0.00 H new ATOM 0 HA LYS A 47 28.692 13.331 -12.542 1.00 0.00 H new ATOM 0 HB2 LYS A 47 28.880 10.423 -11.643 1.00 0.00 H new ATOM 0 HB3 LYS A 47 30.199 11.376 -12.293 1.00 0.00 H new ATOM 0 HG2 LYS A 47 28.738 11.904 -9.680 1.00 0.00 H new ATOM 0 HG3 LYS A 47 30.337 11.205 -9.844 1.00 0.00 H new ATOM 0 HD2 LYS A 47 31.126 13.299 -10.952 1.00 0.00 H new ATOM 0 HD3 LYS A 47 29.531 13.997 -10.750 1.00 0.00 H new ATOM 0 HE2 LYS A 47 29.739 13.718 -8.275 1.00 0.00 H new ATOM 0 HE3 LYS A 47 31.349 13.063 -8.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 31.421 15.402 -7.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 32.030 15.152 -9.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 30.469 15.786 -9.301 1.00 0.00 H new ATOM 592 N CYS A 48 26.967 10.995 -13.975 1.00 0.00 N ATOM 593 CA CYS A 48 26.668 10.384 -15.260 1.00 0.00 C ATOM 594 C CYS A 48 25.840 11.329 -16.137 1.00 0.00 C ATOM 595 O CYS A 48 25.955 11.316 -17.361 1.00 0.00 O ATOM 596 CB CYS A 48 25.938 9.066 -15.060 1.00 0.00 C ATOM 597 SG CYS A 48 24.193 9.255 -14.706 1.00 0.00 S ATOM 0 H CYS A 48 26.307 10.770 -13.230 1.00 0.00 H new ATOM 0 HA CYS A 48 27.610 10.188 -15.772 1.00 0.00 H new ATOM 0 HB2 CYS A 48 26.054 8.457 -15.957 1.00 0.00 H new ATOM 0 HB3 CYS A 48 26.409 8.521 -14.242 1.00 0.00 H new ATOM 0 HG CYS A 48 24.025 10.228 -13.861 1.00 0.00 H new ATOM 602 N GLY A 49 25.004 12.148 -15.503 1.00 0.00 N ATOM 603 CA GLY A 49 24.213 13.114 -16.244 1.00 0.00 C ATOM 604 C GLY A 49 22.733 12.767 -16.310 1.00 0.00 C ATOM 605 O GLY A 49 21.952 13.476 -16.951 1.00 0.00 O ATOM 0 H GLY A 49 24.861 12.160 -14.493 1.00 0.00 H new ATOM 0 HA2 GLY A 49 24.327 14.095 -15.783 1.00 0.00 H new ATOM 0 HA3 GLY A 49 24.605 13.191 -17.258 1.00 0.00 H new ATOM 609 N LYS A 50 22.339 11.685 -15.658 1.00 0.00 N ATOM 610 CA LYS A 50 20.931 11.283 -15.644 1.00 0.00 C ATOM 611 C LYS A 50 20.205 11.948 -14.487 1.00 0.00 C ATOM 612 O LYS A 50 19.006 11.753 -14.294 1.00 0.00 O ATOM 613 CB LYS A 50 20.807 9.759 -15.549 1.00 0.00 C ATOM 614 CG LYS A 50 21.460 9.019 -16.705 1.00 0.00 C ATOM 615 CD LYS A 50 20.770 9.322 -18.026 1.00 0.00 C ATOM 616 CE LYS A 50 21.530 8.729 -19.203 1.00 0.00 C ATOM 617 NZ LYS A 50 22.882 9.330 -19.351 1.00 0.00 N ATOM 0 H LYS A 50 22.963 11.071 -15.135 1.00 0.00 H new ATOM 0 HA LYS A 50 20.469 11.607 -16.577 1.00 0.00 H new ATOM 0 HB2 LYS A 50 21.257 9.424 -14.614 1.00 0.00 H new ATOM 0 HB3 LYS A 50 19.751 9.491 -15.508 1.00 0.00 H new ATOM 0 HG2 LYS A 50 22.511 9.300 -16.770 1.00 0.00 H new ATOM 0 HG3 LYS A 50 21.428 7.946 -16.515 1.00 0.00 H new ATOM 0 HD2 LYS A 50 19.756 8.922 -18.008 1.00 0.00 H new ATOM 0 HD3 LYS A 50 20.685 10.401 -18.154 1.00 0.00 H new ATOM 0 HE2 LYS A 50 21.625 7.652 -19.068 1.00 0.00 H new ATOM 0 HE3 LYS A 50 20.961 8.887 -20.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 23.243 9.140 -20.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 22.824 10.357 -19.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 23.526 8.913 -18.649 1.00 0.00 H new ATOM 631 N GLU A 51 20.953 12.743 -13.737 1.00 0.00 N ATOM 632 CA GLU A 51 20.457 13.468 -12.578 1.00 0.00 C ATOM 633 C GLU A 51 20.017 12.509 -11.480 1.00 0.00 C ATOM 634 O GLU A 51 18.830 12.392 -11.157 1.00 0.00 O ATOM 635 CB GLU A 51 19.341 14.456 -12.946 1.00 0.00 C ATOM 636 CG GLU A 51 18.945 15.378 -11.803 1.00 0.00 C ATOM 637 CD GLU A 51 17.882 16.367 -12.194 1.00 0.00 C ATOM 638 OE1 GLU A 51 16.684 16.028 -12.117 1.00 0.00 O ATOM 639 OE2 GLU A 51 18.229 17.493 -12.581 1.00 0.00 O ATOM 0 H GLU A 51 21.943 12.905 -13.922 1.00 0.00 H new ATOM 0 HA GLU A 51 21.285 14.062 -12.191 1.00 0.00 H new ATOM 0 HB2 GLU A 51 19.666 15.060 -13.793 1.00 0.00 H new ATOM 0 HB3 GLU A 51 18.464 13.896 -13.271 1.00 0.00 H new ATOM 0 HG2 GLU A 51 18.587 14.779 -10.966 1.00 0.00 H new ATOM 0 HG3 GLU A 51 19.826 15.917 -11.455 1.00 0.00 H new ATOM 646 N CYS A 52 20.975 11.793 -10.954 1.00 0.00 N ATOM 647 CA CYS A 52 20.749 10.893 -9.863 1.00 0.00 C ATOM 648 C CYS A 52 21.865 11.051 -8.854 1.00 0.00 C ATOM 649 O CYS A 52 23.008 11.319 -9.222 1.00 0.00 O ATOM 650 CB CYS A 52 20.680 9.455 -10.365 1.00 0.00 C ATOM 651 SG CYS A 52 22.076 8.961 -11.390 1.00 0.00 S ATOM 0 H CYS A 52 21.942 11.821 -11.277 1.00 0.00 H new ATOM 0 HA CYS A 52 19.797 11.129 -9.388 1.00 0.00 H new ATOM 0 HB2 CYS A 52 20.619 8.785 -9.507 1.00 0.00 H new ATOM 0 HB3 CYS A 52 19.761 9.326 -10.936 1.00 0.00 H new ATOM 0 HG CYS A 52 21.924 7.725 -11.763 1.00 0.00 H new ATOM 656 N THR A 53 21.539 10.931 -7.592 1.00 0.00 N ATOM 657 CA THR A 53 22.527 11.075 -6.553 1.00 0.00 C ATOM 658 C THR A 53 22.438 9.929 -5.547 1.00 0.00 C ATOM 659 O THR A 53 22.111 10.132 -4.372 1.00 0.00 O ATOM 660 CB THR A 53 22.369 12.422 -5.828 1.00 0.00 C ATOM 661 OG1 THR A 53 20.995 12.618 -5.445 1.00 0.00 O ATOM 662 CG2 THR A 53 22.819 13.578 -6.712 1.00 0.00 C ATOM 0 H THR A 53 20.595 10.734 -7.259 1.00 0.00 H new ATOM 0 HA THR A 53 23.508 11.045 -7.027 1.00 0.00 H new ATOM 0 HB THR A 53 22.999 12.400 -4.938 1.00 0.00 H new ATOM 0 HG1 THR A 53 20.704 11.873 -4.879 1.00 0.00 H new ATOM 0 HG21 THR A 53 22.696 14.517 -6.173 1.00 0.00 H new ATOM 0 HG22 THR A 53 23.868 13.446 -6.977 1.00 0.00 H new ATOM 0 HG23 THR A 53 22.215 13.598 -7.619 1.00 0.00 H new ATOM 670 N GLY A 54 22.698 8.726 -6.019 1.00 0.00 N ATOM 671 CA GLY A 54 22.645 7.568 -5.161 1.00 0.00 C ATOM 672 C GLY A 54 21.724 6.504 -5.714 1.00 0.00 C ATOM 673 O GLY A 54 20.858 6.810 -6.528 1.00 0.00 O ATOM 0 H GLY A 54 22.947 8.529 -6.988 1.00 0.00 H new ATOM 0 HA2 GLY A 54 23.647 7.156 -5.043 1.00 0.00 H new ATOM 0 HA3 GLY A 54 22.304 7.865 -4.169 1.00 0.00 H new ATOM 677 N PRO A 55 21.880 5.238 -5.277 1.00 0.00 N ATOM 678 CA PRO A 55 21.081 4.107 -5.779 1.00 0.00 C ATOM 679 C PRO A 55 19.575 4.338 -5.677 1.00 0.00 C ATOM 680 O PRO A 55 18.828 3.998 -6.593 1.00 0.00 O ATOM 681 CB PRO A 55 21.506 2.926 -4.887 1.00 0.00 C ATOM 682 CG PRO A 55 22.239 3.541 -3.739 1.00 0.00 C ATOM 683 CD PRO A 55 22.847 4.807 -4.261 1.00 0.00 C ATOM 0 HA PRO A 55 21.262 3.943 -6.841 1.00 0.00 H new ATOM 0 HB2 PRO A 55 20.639 2.361 -4.543 1.00 0.00 H new ATOM 0 HB3 PRO A 55 22.143 2.230 -5.433 1.00 0.00 H new ATOM 0 HG2 PRO A 55 21.562 3.747 -2.910 1.00 0.00 H new ATOM 0 HG3 PRO A 55 23.008 2.867 -3.362 1.00 0.00 H new ATOM 0 HD2 PRO A 55 22.967 5.552 -3.475 1.00 0.00 H new ATOM 0 HD3 PRO A 55 23.834 4.635 -4.690 1.00 0.00 H new ATOM 691 N ASP A 56 19.138 4.936 -4.579 1.00 0.00 N ATOM 692 CA ASP A 56 17.713 5.182 -4.363 1.00 0.00 C ATOM 693 C ASP A 56 17.181 6.215 -5.351 1.00 0.00 C ATOM 694 O ASP A 56 16.071 6.088 -5.859 1.00 0.00 O ATOM 695 CB ASP A 56 17.459 5.654 -2.929 1.00 0.00 C ATOM 696 CG ASP A 56 15.980 5.794 -2.614 1.00 0.00 C ATOM 697 OD1 ASP A 56 15.399 6.861 -2.905 1.00 0.00 O ATOM 698 OD2 ASP A 56 15.396 4.838 -2.059 1.00 0.00 O ATOM 0 H ASP A 56 19.743 5.260 -3.825 1.00 0.00 H new ATOM 0 HA ASP A 56 17.184 4.243 -4.525 1.00 0.00 H new ATOM 0 HB2 ASP A 56 17.910 4.947 -2.232 1.00 0.00 H new ATOM 0 HB3 ASP A 56 17.952 6.613 -2.773 1.00 0.00 H new ATOM 703 N SER A 57 17.995 7.214 -5.642 1.00 0.00 N ATOM 704 CA SER A 57 17.603 8.288 -6.543 1.00 0.00 C ATOM 705 C SER A 57 18.003 7.966 -7.985 1.00 0.00 C ATOM 706 O SER A 57 17.807 8.780 -8.888 1.00 0.00 O ATOM 707 CB SER A 57 18.245 9.613 -6.095 1.00 0.00 C ATOM 708 OG SER A 57 17.873 10.687 -6.946 1.00 0.00 O ATOM 0 H SER A 57 18.938 7.306 -5.265 1.00 0.00 H new ATOM 0 HA SER A 57 16.518 8.388 -6.506 1.00 0.00 H new ATOM 0 HB2 SER A 57 17.943 9.837 -5.072 1.00 0.00 H new ATOM 0 HB3 SER A 57 19.330 9.510 -6.092 1.00 0.00 H new ATOM 0 HG SER A 57 17.805 10.365 -7.869 1.00 0.00 H new ATOM 714 N CYS A 58 18.553 6.788 -8.191 1.00 0.00 N ATOM 715 CA CYS A 58 18.995 6.383 -9.507 1.00 0.00 C ATOM 716 C CYS A 58 17.847 5.794 -10.309 1.00 0.00 C ATOM 717 O CYS A 58 16.978 5.104 -9.767 1.00 0.00 O ATOM 718 CB CYS A 58 20.145 5.378 -9.401 1.00 0.00 C ATOM 719 SG CYS A 58 20.801 4.824 -10.994 1.00 0.00 S ATOM 0 H CYS A 58 18.705 6.092 -7.461 1.00 0.00 H new ATOM 0 HA CYS A 58 19.355 7.269 -10.030 1.00 0.00 H new ATOM 0 HB2 CYS A 58 20.954 5.829 -8.826 1.00 0.00 H new ATOM 0 HB3 CYS A 58 19.801 4.508 -8.841 1.00 0.00 H new ATOM 0 HG CYS A 58 20.654 5.768 -11.876 1.00 0.00 H new ATOM 724 N LYS A 59 17.845 6.075 -11.595 1.00 0.00 N ATOM 725 CA LYS A 59 16.828 5.567 -12.498 1.00 0.00 C ATOM 726 C LYS A 59 17.495 4.783 -13.618 1.00 0.00 C ATOM 727 O LYS A 59 16.881 4.474 -14.641 1.00 0.00 O ATOM 728 CB LYS A 59 16.016 6.726 -13.078 1.00 0.00 C ATOM 729 CG LYS A 59 16.844 7.708 -13.889 1.00 0.00 C ATOM 730 CD LYS A 59 15.995 8.844 -14.416 1.00 0.00 C ATOM 731 CE LYS A 59 16.805 9.777 -15.295 1.00 0.00 C ATOM 732 NZ LYS A 59 15.998 10.921 -15.779 1.00 0.00 N ATOM 0 H LYS A 59 18.547 6.662 -12.046 1.00 0.00 H new ATOM 0 HA LYS A 59 16.153 4.909 -11.950 1.00 0.00 H new ATOM 0 HB2 LYS A 59 15.225 6.323 -13.710 1.00 0.00 H new ATOM 0 HB3 LYS A 59 15.530 7.261 -12.262 1.00 0.00 H new ATOM 0 HG2 LYS A 59 17.646 8.109 -13.269 1.00 0.00 H new ATOM 0 HG3 LYS A 59 17.315 7.187 -14.723 1.00 0.00 H new ATOM 0 HD2 LYS A 59 15.157 8.441 -14.985 1.00 0.00 H new ATOM 0 HD3 LYS A 59 15.573 9.403 -13.581 1.00 0.00 H new ATOM 0 HE2 LYS A 59 17.663 10.149 -14.735 1.00 0.00 H new ATOM 0 HE3 LYS A 59 17.197 9.223 -16.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 16.589 11.534 -16.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 15.193 10.568 -16.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 15.645 11.465 -14.966 1.00 0.00 H new ATOM 746 N CYS A 60 18.754 4.472 -13.412 1.00 0.00 N ATOM 747 CA CYS A 60 19.532 3.753 -14.387 1.00 0.00 C ATOM 748 C CYS A 60 19.541 2.275 -14.074 1.00 0.00 C ATOM 749 O CYS A 60 19.227 1.861 -12.953 1.00 0.00 O ATOM 750 CB CYS A 60 20.969 4.261 -14.378 1.00 0.00 C ATOM 751 SG CYS A 60 21.122 6.052 -14.358 1.00 0.00 S ATOM 0 H CYS A 60 19.265 4.712 -12.563 1.00 0.00 H new ATOM 0 HA CYS A 60 19.082 3.913 -15.367 1.00 0.00 H new ATOM 0 HB2 CYS A 60 21.480 3.855 -13.505 1.00 0.00 H new ATOM 0 HB3 CYS A 60 21.484 3.874 -15.257 1.00 0.00 H new ATOM 0 HG CYS A 60 22.380 6.380 -14.349 1.00 0.00 H new ATOM 756 N GLY A 61 19.896 1.487 -15.057 1.00 0.00 N ATOM 757 CA GLY A 61 20.041 0.082 -14.852 1.00 0.00 C ATOM 758 C GLY A 61 21.481 -0.251 -14.586 1.00 0.00 C ATOM 759 O GLY A 61 22.326 0.645 -14.570 1.00 0.00 O ATOM 0 H GLY A 61 20.089 1.803 -16.007 1.00 0.00 H new ATOM 0 HA2 GLY A 61 19.424 -0.237 -14.012 1.00 0.00 H new ATOM 0 HA3 GLY A 61 19.690 -0.460 -15.730 1.00 0.00 H new ATOM 763 N SER A 62 21.781 -1.514 -14.409 1.00 0.00 N ATOM 764 CA SER A 62 23.150 -1.948 -14.142 1.00 0.00 C ATOM 765 C SER A 62 24.011 -1.921 -15.425 1.00 0.00 C ATOM 766 O SER A 62 25.022 -2.619 -15.521 1.00 0.00 O ATOM 767 CB SER A 62 23.122 -3.351 -13.540 1.00 0.00 C ATOM 768 OG SER A 62 22.210 -3.408 -12.454 1.00 0.00 O ATOM 0 H SER A 62 21.098 -2.271 -14.443 1.00 0.00 H new ATOM 0 HA SER A 62 23.606 -1.256 -13.434 1.00 0.00 H new ATOM 0 HB2 SER A 62 22.834 -4.075 -14.303 1.00 0.00 H new ATOM 0 HB3 SER A 62 24.120 -3.627 -13.199 1.00 0.00 H new ATOM 0 HG SER A 62 22.367 -4.226 -11.937 1.00 0.00 H new ATOM 774 N SER A 63 23.622 -1.081 -16.383 1.00 0.00 N ATOM 775 CA SER A 63 24.321 -0.980 -17.654 1.00 0.00 C ATOM 776 C SER A 63 24.739 0.471 -17.955 1.00 0.00 C ATOM 777 O SER A 63 25.010 0.819 -19.101 1.00 0.00 O ATOM 778 CB SER A 63 23.423 -1.507 -18.775 1.00 0.00 C ATOM 779 OG SER A 63 22.941 -2.811 -18.475 1.00 0.00 O ATOM 0 H SER A 63 22.819 -0.458 -16.297 1.00 0.00 H new ATOM 0 HA SER A 63 25.228 -1.582 -17.592 1.00 0.00 H new ATOM 0 HB2 SER A 63 22.582 -0.829 -18.920 1.00 0.00 H new ATOM 0 HB3 SER A 63 23.980 -1.528 -19.712 1.00 0.00 H new ATOM 0 HG SER A 63 22.368 -3.124 -19.206 1.00 0.00 H new ATOM 785 N CYS A 64 24.784 1.311 -16.926 1.00 0.00 N ATOM 786 CA CYS A 64 25.198 2.704 -17.105 1.00 0.00 C ATOM 787 C CYS A 64 26.637 2.890 -16.619 1.00 0.00 C ATOM 788 O CYS A 64 27.212 1.987 -16.003 1.00 0.00 O ATOM 789 CB CYS A 64 24.249 3.657 -16.354 1.00 0.00 C ATOM 790 SG CYS A 64 24.517 5.429 -16.699 1.00 0.00 S ATOM 0 H CYS A 64 24.542 1.058 -15.968 1.00 0.00 H new ATOM 0 HA CYS A 64 25.150 2.946 -18.167 1.00 0.00 H new ATOM 0 HB2 CYS A 64 23.221 3.402 -16.612 1.00 0.00 H new ATOM 0 HB3 CYS A 64 24.360 3.489 -15.283 1.00 0.00 H new ATOM 0 HG CYS A 64 23.665 6.137 -16.019 1.00 0.00 H new ATOM 795 N SER A 65 27.207 4.057 -16.880 1.00 0.00 N ATOM 796 CA SER A 65 28.580 4.345 -16.490 1.00 0.00 C ATOM 797 C SER A 65 28.702 4.536 -14.978 1.00 0.00 C ATOM 798 O SER A 65 29.775 4.367 -14.409 1.00 0.00 O ATOM 799 CB SER A 65 29.091 5.578 -17.232 1.00 0.00 C ATOM 800 OG SER A 65 29.012 5.389 -18.641 1.00 0.00 O ATOM 0 H SER A 65 26.738 4.823 -17.362 1.00 0.00 H new ATOM 0 HA SER A 65 29.196 3.489 -16.764 1.00 0.00 H new ATOM 0 HB2 SER A 65 28.504 6.450 -16.944 1.00 0.00 H new ATOM 0 HB3 SER A 65 30.123 5.779 -16.945 1.00 0.00 H new ATOM 0 HG SER A 65 29.342 6.191 -19.098 1.00 0.00 H new ATOM 806 N CYS A 66 27.594 4.865 -14.329 1.00 0.00 N ATOM 807 CA CYS A 66 27.596 5.055 -12.888 1.00 0.00 C ATOM 808 C CYS A 66 27.263 3.736 -12.177 1.00 0.00 C ATOM 809 O CYS A 66 26.755 3.727 -11.053 1.00 0.00 O ATOM 810 CB CYS A 66 26.595 6.151 -12.496 1.00 0.00 C ATOM 811 SG CYS A 66 24.860 5.658 -12.589 1.00 0.00 S ATOM 0 H CYS A 66 26.688 5.005 -14.776 1.00 0.00 H new ATOM 0 HA CYS A 66 28.591 5.371 -12.576 1.00 0.00 H new ATOM 0 HB2 CYS A 66 26.812 6.475 -11.478 1.00 0.00 H new ATOM 0 HB3 CYS A 66 26.749 7.013 -13.145 1.00 0.00 H new ATOM 0 HG CYS A 66 24.106 6.656 -12.236 1.00 0.00 H new ATOM 816 N LYS A 67 27.574 2.624 -12.829 1.00 0.00 N ATOM 817 CA LYS A 67 27.305 1.298 -12.281 1.00 0.00 C ATOM 818 C LYS A 67 28.576 0.459 -12.221 1.00 0.00 C ATOM 819 O LYS A 67 29.409 0.713 -11.306 1.00 0.00 O ATOM 820 CB LYS A 67 26.258 0.597 -13.136 1.00 0.00 C ATOM 821 CG LYS A 67 24.928 1.315 -13.158 1.00 0.00 C ATOM 822 CD LYS A 67 24.234 1.209 -11.819 1.00 0.00 C ATOM 823 CE LYS A 67 22.959 2.033 -11.780 1.00 0.00 C ATOM 824 NZ LYS A 67 23.247 3.481 -11.649 1.00 0.00 N ATOM 0 H LYS A 67 28.017 2.613 -13.748 1.00 0.00 H new ATOM 0 HA LYS A 67 26.930 1.414 -11.264 1.00 0.00 H new ATOM 0 HB2 LYS A 67 26.632 0.508 -14.156 1.00 0.00 H new ATOM 0 HB3 LYS A 67 26.111 -0.416 -12.761 1.00 0.00 H new ATOM 0 HG2 LYS A 67 25.081 2.364 -13.410 1.00 0.00 H new ATOM 0 HG3 LYS A 67 24.294 0.889 -13.935 1.00 0.00 H new ATOM 0 HD2 LYS A 67 23.999 0.165 -11.613 1.00 0.00 H new ATOM 0 HD3 LYS A 67 24.909 1.545 -11.032 1.00 0.00 H new ATOM 0 HE2 LYS A 67 22.384 1.857 -12.689 1.00 0.00 H new ATOM 0 HE3 LYS A 67 22.341 1.708 -10.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 22.359 3.999 -11.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 23.887 3.636 -10.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 23.697 3.826 -12.521 1.00 0.00 H new