USER MOD reduce.3.24.130724 H: found=0, std=0, add=417, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 410 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 38 CYS SG : rot 158:sc= 0.11 USER MOD Set 1.2: A 41 CYS SG : rot -48:sc= 0.608 USER MOD Set 1.3: A 59 CYS SG : rot -40:sc= -2.76! USER MOD Set 1.4: A 62 CYS SG : rot 180:sc= 0.463 USER MOD Set 2.1: A 11 CYS SG : rot 149:sc= 0.111 USER MOD Set 2.2: A 14 CYS SG : rot -54:sc= 0.518 USER MOD Set 2.3: A 32 HIS : no HE2:sc= -5.84! C(o=-5.6!,f=-14!) USER MOD Set 2.4: A 34 SER OG : rot 180:sc= 0 USER MOD Set 2.5: A 35 CYS SG : rot 171:sc= -0.409 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -156:sc= -0.703 (180deg=-1.92!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 89:sc= 0.316 USER MOD Single : A 48 THR OG1 : rot -52:sc= 0.704 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 146:sc= 0.353 USER MOD Single : A 60 LYS NZ :NH3+ -128:sc= 0 (180deg=-0.157) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 165:sc= -0.222 (180deg=-0.738) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=-0.024) USER MOD ----------------------------------------------------------------- ATOM 122 N GLY A 10 -14.831 -4.205 -10.734 1.00 0.00 N ATOM 123 CA GLY A 10 -13.765 -4.834 -11.509 1.00 0.00 C ATOM 124 C GLY A 10 -12.431 -4.143 -11.243 1.00 0.00 C ATOM 125 O GLY A 10 -12.345 -3.233 -10.418 1.00 0.00 O ATOM 0 HA2 GLY A 10 -13.693 -5.890 -11.248 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -14.002 -4.784 -12.572 1.00 0.00 H new ATOM 129 N CYS A 11 -11.376 -4.670 -11.857 1.00 0.00 N ATOM 130 CA CYS A 11 -10.012 -4.376 -11.425 1.00 0.00 C ATOM 131 C CYS A 11 -9.169 -3.944 -12.641 1.00 0.00 C ATOM 132 O CYS A 11 -8.629 -4.782 -13.382 1.00 0.00 O ATOM 133 CB CYS A 11 -9.388 -5.587 -10.737 1.00 0.00 C ATOM 134 SG CYS A 11 -7.962 -5.206 -9.691 1.00 0.00 S ATOM 0 H CYS A 11 -11.438 -5.302 -12.655 1.00 0.00 H new ATOM 0 HA CYS A 11 -10.037 -3.561 -10.702 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -10.149 -6.075 -10.128 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -9.082 -6.304 -11.499 1.00 0.00 H new ATOM 0 HG CYS A 11 -7.917 -6.042 -8.697 1.00 0.00 H new ATOM 139 N PRO A 12 -8.949 -2.621 -12.751 1.00 0.00 N ATOM 140 CA PRO A 12 -7.989 -2.044 -13.725 1.00 0.00 C ATOM 141 C PRO A 12 -6.561 -2.560 -13.552 1.00 0.00 C ATOM 142 O PRO A 12 -5.689 -2.283 -14.374 1.00 0.00 O ATOM 143 CB PRO A 12 -8.092 -0.531 -13.594 1.00 0.00 C ATOM 144 CG PRO A 12 -9.104 -0.203 -12.536 1.00 0.00 C ATOM 145 CD PRO A 12 -9.449 -1.526 -11.866 1.00 0.00 C ATOM 0 HA PRO A 12 -8.249 -2.360 -14.735 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -7.122 -0.108 -13.332 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -8.385 -0.089 -14.546 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -8.699 0.507 -11.814 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -9.991 0.257 -12.972 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -8.987 -1.589 -10.881 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -10.526 -1.613 -11.720 1.00 0.00 H new ATOM 153 N ARG A 13 -6.315 -3.180 -12.404 1.00 0.00 N ATOM 154 CA ARG A 13 -4.957 -3.487 -11.971 1.00 0.00 C ATOM 155 C ARG A 13 -4.461 -4.765 -12.638 1.00 0.00 C ATOM 156 O ARG A 13 -3.385 -4.786 -13.235 1.00 0.00 O ATOM 157 CB ARG A 13 -4.866 -3.626 -10.446 1.00 0.00 C ATOM 158 CG ARG A 13 -3.907 -2.652 -9.775 1.00 0.00 C ATOM 159 CD ARG A 13 -2.538 -2.736 -10.362 1.00 0.00 C ATOM 160 NE ARG A 13 -1.600 -1.844 -9.694 1.00 0.00 N ATOM 161 CZ ARG A 13 -0.664 -1.150 -10.343 1.00 0.00 C ATOM 162 NH1 ARG A 13 -0.387 -1.382 -11.623 1.00 0.00 N ATOM 163 NH2 ARG A 13 0.055 -0.244 -9.676 1.00 0.00 N ATOM 0 H ARG A 13 -7.041 -3.481 -11.754 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.323 -2.653 -12.272 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.860 -3.486 -10.022 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.557 -4.643 -10.205 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -4.287 -1.636 -9.880 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.859 -2.865 -8.707 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.176 -3.762 -10.291 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.583 -2.487 -11.422 1.00 0.00 H new ATOM 0 HE ARG A 13 -1.662 -1.745 -8.681 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -0.895 -2.105 -12.132 1.00 0.00 H new ATOM 0 HH12 ARG A 13 0.334 -0.837 -12.096 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.115 -0.089 -8.682 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.774 0.294 -10.160 1.00 0.00 H new ATOM 177 N CYS A 14 -5.137 -5.866 -12.318 1.00 0.00 N ATOM 178 CA CYS A 14 -4.770 -7.171 -12.847 1.00 0.00 C ATOM 179 C CYS A 14 -5.484 -7.433 -14.169 1.00 0.00 C ATOM 180 O CYS A 14 -5.025 -8.229 -14.987 1.00 0.00 O ATOM 181 CB CYS A 14 -5.031 -8.281 -11.832 1.00 0.00 C ATOM 182 SG CYS A 14 -6.721 -8.347 -11.197 1.00 0.00 S ATOM 0 H CYS A 14 -5.943 -5.877 -11.693 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.697 -7.168 -13.041 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.794 -9.239 -12.294 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -4.347 -8.154 -10.993 1.00 0.00 H new ATOM 0 HG CYS A 14 -7.049 -7.186 -10.713 1.00 0.00 H new ATOM 187 N GLY A 15 -6.714 -6.932 -14.254 1.00 0.00 N ATOM 188 CA GLY A 15 -7.512 -7.067 -15.464 1.00 0.00 C ATOM 189 C GLY A 15 -8.891 -7.631 -15.134 1.00 0.00 C ATOM 190 O GLY A 15 -9.847 -7.430 -15.880 1.00 0.00 O ATOM 0 H GLY A 15 -7.178 -6.429 -13.497 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.616 -6.096 -15.948 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.004 -7.723 -16.171 1.00 0.00 H new ATOM 194 N GLN A 16 -8.934 -8.458 -14.095 1.00 0.00 N ATOM 195 CA GLN A 16 -10.116 -9.252 -13.789 1.00 0.00 C ATOM 196 C GLN A 16 -11.272 -8.346 -13.375 1.00 0.00 C ATOM 197 O GLN A 16 -11.068 -7.186 -13.022 1.00 0.00 O ATOM 198 CB GLN A 16 -9.849 -10.322 -12.727 1.00 0.00 C ATOM 199 CG GLN A 16 -9.547 -11.692 -13.304 1.00 0.00 C ATOM 200 CD GLN A 16 -8.201 -12.228 -12.879 1.00 0.00 C ATOM 201 OE1 GLN A 16 -7.204 -12.118 -13.586 1.00 0.00 O ATOM 202 NE2 GLN A 16 -8.169 -12.778 -11.666 1.00 0.00 N ATOM 0 H GLN A 16 -8.158 -8.596 -13.447 1.00 0.00 H new ATOM 0 HA GLN A 16 -10.392 -9.783 -14.700 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -9.010 -10.005 -12.108 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -10.718 -10.397 -12.073 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -10.324 -12.390 -12.994 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -9.583 -11.638 -14.392 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -9.024 -12.848 -11.115 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -7.289 -13.130 -11.288 1.00 0.00 H new ATOM 211 N ALA A 17 -12.458 -8.938 -13.294 1.00 0.00 N ATOM 212 CA ALA A 17 -13.606 -8.282 -12.679 1.00 0.00 C ATOM 213 C ALA A 17 -14.209 -9.177 -11.599 1.00 0.00 C ATOM 214 O ALA A 17 -14.080 -10.399 -11.651 1.00 0.00 O ATOM 215 CB ALA A 17 -14.643 -7.928 -13.740 1.00 0.00 C ATOM 0 H ALA A 17 -12.650 -9.875 -13.648 1.00 0.00 H new ATOM 0 HA ALA A 17 -13.275 -7.357 -12.207 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -15.495 -7.439 -13.267 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -14.199 -7.255 -14.473 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -14.978 -8.837 -14.239 1.00 0.00 H new ATOM 221 N VAL A 18 -14.718 -8.541 -10.548 1.00 0.00 N ATOM 222 CA VAL A 18 -15.043 -9.237 -9.310 1.00 0.00 C ATOM 223 C VAL A 18 -16.562 -9.318 -9.141 1.00 0.00 C ATOM 224 O VAL A 18 -17.258 -8.315 -9.307 1.00 0.00 O ATOM 225 CB VAL A 18 -14.334 -8.591 -8.105 1.00 0.00 C ATOM 226 CG1 VAL A 18 -14.325 -9.499 -6.879 1.00 0.00 C ATOM 227 CG2 VAL A 18 -12.924 -8.134 -8.447 1.00 0.00 C ATOM 0 H VAL A 18 -14.915 -7.540 -10.531 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.669 -10.259 -9.362 1.00 0.00 H new ATOM 0 HB VAL A 18 -14.919 -7.707 -7.853 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -13.814 -8.997 -6.058 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -15.350 -9.723 -6.585 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -13.805 -10.427 -7.117 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -12.464 -7.685 -7.567 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -12.332 -8.991 -8.769 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -12.965 -7.398 -9.250 1.00 0.00 H new ATOM 237 N TYR A 19 -16.991 -10.398 -8.492 1.00 0.00 N ATOM 238 CA TYR A 19 -18.397 -10.593 -8.176 1.00 0.00 C ATOM 239 C TYR A 19 -18.580 -10.840 -6.681 1.00 0.00 C ATOM 240 O TYR A 19 -19.360 -10.155 -6.021 1.00 0.00 O ATOM 241 CB TYR A 19 -18.996 -11.755 -8.999 1.00 0.00 C ATOM 242 CG TYR A 19 -20.473 -11.617 -9.284 1.00 0.00 C ATOM 243 CD1 TYR A 19 -20.966 -10.486 -9.934 1.00 0.00 C ATOM 244 CD2 TYR A 19 -21.384 -12.606 -8.903 1.00 0.00 C ATOM 245 CE1 TYR A 19 -22.315 -10.362 -10.251 1.00 0.00 C ATOM 246 CE2 TYR A 19 -22.741 -12.493 -9.205 1.00 0.00 C ATOM 247 CZ TYR A 19 -23.197 -11.374 -9.899 1.00 0.00 C ATOM 248 OH TYR A 19 -24.506 -11.241 -10.269 1.00 0.00 O ATOM 0 H TYR A 19 -16.380 -11.151 -8.176 1.00 0.00 H new ATOM 0 HA TYR A 19 -18.933 -9.683 -8.444 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -18.460 -11.828 -9.945 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -18.827 -12.689 -8.464 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -20.286 -9.689 -10.197 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -21.031 -13.473 -8.365 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -22.673 -9.484 -10.768 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -23.432 -13.266 -8.904 1.00 0.00 H new ATOM 0 HH TYR A 19 -25.014 -12.020 -9.960 1.00 0.00 H new ATOM 258 N ALA A 20 -17.727 -11.705 -6.141 1.00 0.00 N ATOM 259 CA ALA A 20 -17.629 -11.894 -4.700 1.00 0.00 C ATOM 260 C ALA A 20 -17.218 -10.590 -4.020 1.00 0.00 C ATOM 261 O ALA A 20 -17.503 -10.382 -2.841 1.00 0.00 O ATOM 262 CB ALA A 20 -16.643 -13.013 -4.380 1.00 0.00 C ATOM 0 H ALA A 20 -17.091 -12.289 -6.684 1.00 0.00 H new ATOM 0 HA ALA A 20 -18.607 -12.182 -4.315 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -16.579 -13.144 -3.300 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -16.985 -13.941 -4.838 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -15.660 -12.755 -4.773 1.00 0.00 H new ATOM 268 N ALA A 21 -16.812 -9.630 -4.849 1.00 0.00 N ATOM 269 CA ALA A 21 -16.430 -8.312 -4.366 1.00 0.00 C ATOM 270 C ALA A 21 -15.231 -8.418 -3.425 1.00 0.00 C ATOM 271 O ALA A 21 -15.393 -8.522 -2.211 1.00 0.00 O ATOM 272 CB ALA A 21 -17.610 -7.636 -3.674 1.00 0.00 C ATOM 0 H ALA A 21 -16.740 -9.744 -5.860 1.00 0.00 H new ATOM 0 HA ALA A 21 -16.140 -7.697 -5.218 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -17.308 -6.651 -3.318 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -18.434 -7.530 -4.380 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -17.933 -8.244 -2.829 1.00 0.00 H new ATOM 278 N GLU A 22 -14.042 -8.267 -3.997 1.00 0.00 N ATOM 279 CA GLU A 22 -12.839 -8.017 -3.204 1.00 0.00 C ATOM 280 C GLU A 22 -12.393 -6.567 -3.385 1.00 0.00 C ATOM 281 O GLU A 22 -11.203 -6.270 -3.442 1.00 0.00 O ATOM 282 CB GLU A 22 -11.771 -9.001 -3.658 1.00 0.00 C ATOM 283 CG GLU A 22 -12.192 -10.446 -3.721 1.00 0.00 C ATOM 284 CD GLU A 22 -12.009 -11.279 -2.484 1.00 0.00 C ATOM 285 OE1 GLU A 22 -12.711 -10.868 -1.535 1.00 0.00 O ATOM 286 OE2 GLU A 22 -11.387 -12.327 -2.457 1.00 0.00 O ATOM 0 H GLU A 22 -13.883 -8.313 -5.003 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.029 -8.163 -2.141 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -11.424 -8.700 -4.647 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.919 -8.920 -2.983 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.247 -10.477 -3.994 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.639 -10.922 -4.531 1.00 0.00 H new ATOM 293 N LYS A 23 -13.373 -5.681 -3.540 1.00 0.00 N ATOM 294 CA LYS A 23 -13.122 -4.351 -4.086 1.00 0.00 C ATOM 295 C LYS A 23 -12.687 -3.396 -2.978 1.00 0.00 C ATOM 296 O LYS A 23 -13.468 -3.080 -2.080 1.00 0.00 O ATOM 297 CB LYS A 23 -14.358 -3.779 -4.779 1.00 0.00 C ATOM 298 CG LYS A 23 -15.566 -3.609 -3.857 1.00 0.00 C ATOM 299 CD LYS A 23 -16.887 -3.896 -4.546 1.00 0.00 C ATOM 300 CE LYS A 23 -17.932 -2.883 -4.327 1.00 0.00 C ATOM 301 NZ LYS A 23 -18.544 -3.017 -2.980 1.00 0.00 N ATOM 0 H LYS A 23 -14.347 -5.860 -3.296 1.00 0.00 H new ATOM 0 HA LYS A 23 -12.327 -4.452 -4.825 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -14.104 -2.811 -5.211 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -14.634 -4.434 -5.605 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -15.458 -4.274 -3.000 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -15.579 -2.590 -3.470 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -16.709 -3.988 -5.617 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -17.258 -4.861 -4.201 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -17.503 -1.887 -4.436 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -18.704 -2.983 -5.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -19.276 -2.289 -2.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -18.974 -3.959 -2.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -17.811 -2.897 -2.252 1.00 0.00 H new ATOM 315 N VAL A 24 -11.522 -2.785 -3.173 1.00 0.00 N ATOM 316 CA VAL A 24 -11.156 -1.569 -2.452 1.00 0.00 C ATOM 317 C VAL A 24 -11.456 -0.342 -3.315 1.00 0.00 C ATOM 318 O VAL A 24 -11.589 -0.468 -4.535 1.00 0.00 O ATOM 319 CB VAL A 24 -9.686 -1.640 -1.991 1.00 0.00 C ATOM 320 CG1 VAL A 24 -9.506 -2.481 -0.733 1.00 0.00 C ATOM 321 CG2 VAL A 24 -8.773 -2.128 -3.105 1.00 0.00 C ATOM 0 H VAL A 24 -10.812 -3.114 -3.827 1.00 0.00 H new ATOM 0 HA VAL A 24 -11.759 -1.478 -1.549 1.00 0.00 H new ATOM 0 HB VAL A 24 -9.397 -0.620 -1.737 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -8.453 -2.497 -0.453 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -10.091 -2.050 0.080 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -9.846 -3.499 -0.924 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -7.745 -2.165 -2.743 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -9.083 -3.124 -3.419 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -8.835 -1.445 -3.952 1.00 0.00 H new ATOM 331 N ILE A 25 -11.232 0.828 -2.727 1.00 0.00 N ATOM 332 CA ILE A 25 -11.210 2.078 -3.473 1.00 0.00 C ATOM 333 C ILE A 25 -10.190 3.040 -2.868 1.00 0.00 C ATOM 334 O ILE A 25 -10.127 3.206 -1.651 1.00 0.00 O ATOM 335 CB ILE A 25 -12.652 2.710 -3.522 1.00 0.00 C ATOM 336 CG1 ILE A 25 -13.127 3.002 -2.074 1.00 0.00 C ATOM 337 CG2 ILE A 25 -13.659 1.838 -4.300 1.00 0.00 C ATOM 338 CD1 ILE A 25 -13.515 1.743 -1.262 1.00 0.00 C ATOM 0 H ILE A 25 -11.062 0.935 -1.727 1.00 0.00 H new ATOM 0 HA ILE A 25 -10.903 1.876 -4.499 1.00 0.00 H new ATOM 0 HB ILE A 25 -12.600 3.647 -4.076 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -12.335 3.531 -1.544 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -13.986 3.672 -2.115 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -14.635 2.323 -4.301 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -13.315 1.713 -5.327 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -13.739 0.861 -3.823 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -13.835 2.039 -0.263 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -14.330 1.223 -1.765 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -12.654 1.079 -1.186 1.00 0.00 H new ATOM 350 N GLY A 26 -9.529 3.791 -3.743 1.00 0.00 N ATOM 351 CA GLY A 26 -8.700 4.914 -3.328 1.00 0.00 C ATOM 352 C GLY A 26 -8.129 5.634 -4.544 1.00 0.00 C ATOM 353 O GLY A 26 -7.667 5.002 -5.493 1.00 0.00 O ATOM 0 H GLY A 26 -9.553 3.639 -4.751 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -9.291 5.609 -2.731 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -7.888 4.559 -2.693 1.00 0.00 H new ATOM 357 N ALA A 27 -8.337 6.947 -4.575 1.00 0.00 N ATOM 358 CA ALA A 27 -7.797 7.782 -5.637 1.00 0.00 C ATOM 359 C ALA A 27 -8.363 7.355 -6.989 1.00 0.00 C ATOM 360 O ALA A 27 -7.727 7.544 -8.024 1.00 0.00 O ATOM 361 CB ALA A 27 -6.272 7.720 -5.638 1.00 0.00 C ATOM 0 H ALA A 27 -8.877 7.454 -3.874 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.094 8.815 -5.456 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.883 8.350 -6.438 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -5.893 8.075 -4.680 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -5.950 6.691 -5.797 1.00 0.00 H new ATOM 367 N GLY A 28 -9.635 6.967 -6.973 1.00 0.00 N ATOM 368 CA GLY A 28 -10.387 6.735 -8.198 1.00 0.00 C ATOM 369 C GLY A 28 -10.331 5.261 -8.587 1.00 0.00 C ATOM 370 O GLY A 28 -11.075 4.810 -9.456 1.00 0.00 O ATOM 0 H GLY A 28 -10.168 6.806 -6.118 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -11.424 7.042 -8.059 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -9.979 7.346 -9.003 1.00 0.00 H new ATOM 374 N LYS A 29 -9.330 4.570 -8.051 1.00 0.00 N ATOM 375 CA LYS A 29 -9.051 3.195 -8.430 1.00 0.00 C ATOM 376 C LYS A 29 -9.887 2.231 -7.589 1.00 0.00 C ATOM 377 O LYS A 29 -9.778 2.215 -6.364 1.00 0.00 O ATOM 378 CB LYS A 29 -7.571 2.843 -8.258 1.00 0.00 C ATOM 379 CG LYS A 29 -6.755 2.948 -9.546 1.00 0.00 C ATOM 380 CD LYS A 29 -5.268 2.737 -9.329 1.00 0.00 C ATOM 381 CE LYS A 29 -4.469 2.652 -10.562 1.00 0.00 C ATOM 382 NZ LYS A 29 -3.017 2.768 -10.278 1.00 0.00 N ATOM 0 H LYS A 29 -8.695 4.947 -7.347 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.311 3.098 -9.484 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.135 3.504 -7.509 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.492 1.827 -7.871 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.120 2.211 -10.261 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.915 3.930 -9.991 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.884 3.556 -8.720 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.125 1.820 -8.757 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -4.669 1.704 -11.062 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -4.771 3.443 -11.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.483 2.704 -11.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.824 3.683 -9.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.725 1.998 -9.643 1.00 0.00 H new ATOM 396 N SER A 30 -10.548 1.305 -8.275 1.00 0.00 N ATOM 397 CA SER A 30 -11.147 0.145 -7.628 1.00 0.00 C ATOM 398 C SER A 30 -10.294 -1.097 -7.877 1.00 0.00 C ATOM 399 O SER A 30 -9.967 -1.417 -9.018 1.00 0.00 O ATOM 400 CB SER A 30 -12.583 -0.073 -8.087 1.00 0.00 C ATOM 401 OG SER A 30 -13.128 -1.261 -7.544 1.00 0.00 O ATOM 0 H SER A 30 -10.683 1.337 -9.286 1.00 0.00 H new ATOM 0 HA SER A 30 -11.179 0.334 -6.555 1.00 0.00 H new ATOM 0 HB2 SER A 30 -13.194 0.778 -7.788 1.00 0.00 H new ATOM 0 HB3 SER A 30 -12.614 -0.122 -9.175 1.00 0.00 H new ATOM 0 HG SER A 30 -14.050 -1.370 -7.856 1.00 0.00 H new ATOM 407 N TRP A 31 -9.773 -1.653 -6.786 1.00 0.00 N ATOM 408 CA TRP A 31 -8.732 -2.664 -6.854 1.00 0.00 C ATOM 409 C TRP A 31 -9.274 -4.011 -6.356 1.00 0.00 C ATOM 410 O TRP A 31 -10.380 -4.068 -5.818 1.00 0.00 O ATOM 411 CB TRP A 31 -7.470 -2.246 -6.109 1.00 0.00 C ATOM 412 CG TRP A 31 -7.229 -0.776 -6.019 1.00 0.00 C ATOM 413 CD1 TRP A 31 -8.084 0.164 -5.492 1.00 0.00 C ATOM 414 CD2 TRP A 31 -5.949 -0.124 -6.110 1.00 0.00 C ATOM 415 NE1 TRP A 31 -7.471 1.396 -5.473 1.00 0.00 N ATOM 416 CE2 TRP A 31 -6.156 1.240 -5.809 1.00 0.00 C ATOM 417 CE3 TRP A 31 -4.675 -0.565 -6.454 1.00 0.00 C ATOM 418 CZ2 TRP A 31 -5.131 2.174 -5.869 1.00 0.00 C ATOM 419 CZ3 TRP A 31 -3.649 0.358 -6.481 1.00 0.00 C ATOM 420 CH2 TRP A 31 -3.873 1.707 -6.215 1.00 0.00 C ATOM 0 H TRP A 31 -10.061 -1.414 -5.837 1.00 0.00 H new ATOM 0 HA TRP A 31 -8.439 -2.776 -7.898 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -7.516 -2.651 -5.098 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -6.612 -2.707 -6.598 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -9.087 -0.035 -5.145 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -7.924 2.281 -5.245 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -4.494 -1.602 -6.694 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -5.306 3.218 -5.656 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -2.648 0.026 -6.714 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -3.050 2.403 -6.280 1.00 0.00 H new ATOM 431 N HIS A 32 -8.364 -4.973 -6.248 1.00 0.00 N ATOM 432 CA HIS A 32 -8.604 -6.189 -5.482 1.00 0.00 C ATOM 433 C HIS A 32 -8.022 -6.045 -4.073 1.00 0.00 C ATOM 434 O HIS A 32 -6.942 -5.475 -3.908 1.00 0.00 O ATOM 435 CB HIS A 32 -8.012 -7.463 -6.134 1.00 0.00 C ATOM 436 CG HIS A 32 -8.881 -8.004 -7.235 1.00 0.00 C ATOM 437 ND1 HIS A 32 -8.483 -8.093 -8.547 1.00 0.00 N ATOM 438 CD2 HIS A 32 -10.016 -8.745 -7.137 1.00 0.00 C ATOM 439 CE1 HIS A 32 -9.401 -8.760 -9.230 1.00 0.00 C ATOM 440 NE2 HIS A 32 -10.328 -9.181 -8.398 1.00 0.00 N ATOM 0 H HIS A 32 -7.444 -4.932 -6.687 1.00 0.00 H new ATOM 0 HA HIS A 32 -9.687 -6.313 -5.451 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -7.024 -7.237 -6.534 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -7.879 -8.230 -5.371 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -7.621 -7.708 -8.932 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -10.569 -8.952 -6.233 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -9.390 -8.930 -10.296 1.00 0.00 H new ATOM 448 N LYS A 33 -8.567 -6.844 -3.160 1.00 0.00 N ATOM 449 CA LYS A 33 -7.987 -7.020 -1.839 1.00 0.00 C ATOM 450 C LYS A 33 -6.575 -7.585 -1.944 1.00 0.00 C ATOM 451 O LYS A 33 -5.813 -7.571 -0.980 1.00 0.00 O ATOM 452 CB LYS A 33 -8.831 -7.953 -0.965 1.00 0.00 C ATOM 453 CG LYS A 33 -9.221 -7.351 0.385 1.00 0.00 C ATOM 454 CD LYS A 33 -10.484 -7.959 0.966 1.00 0.00 C ATOM 455 CE LYS A 33 -10.287 -9.228 1.685 1.00 0.00 C ATOM 456 NZ LYS A 33 -9.644 -10.248 0.819 1.00 0.00 N ATOM 0 H LYS A 33 -9.418 -7.383 -3.317 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.960 -6.035 -1.372 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -9.737 -8.222 -1.507 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.276 -8.876 -0.794 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -8.401 -7.491 1.089 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -9.362 -6.276 0.270 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -10.936 -7.239 1.648 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -11.196 -8.123 0.157 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -9.670 -9.056 2.567 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -11.249 -9.601 2.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -9.876 -11.199 1.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -9.992 -10.145 -0.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -8.613 -10.116 0.834 1.00 0.00 H new ATOM 470 N SER A 34 -6.259 -8.115 -3.122 1.00 0.00 N ATOM 471 CA SER A 34 -5.022 -8.859 -3.321 1.00 0.00 C ATOM 472 C SER A 34 -4.033 -8.035 -4.141 1.00 0.00 C ATOM 473 O SER A 34 -2.846 -8.355 -4.200 1.00 0.00 O ATOM 474 CB SER A 34 -5.283 -10.213 -3.967 1.00 0.00 C ATOM 475 OG SER A 34 -5.696 -10.074 -5.315 1.00 0.00 O ATOM 0 H SER A 34 -6.845 -8.042 -3.954 1.00 0.00 H new ATOM 0 HA SER A 34 -4.581 -9.050 -2.343 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.378 -10.819 -3.923 1.00 0.00 H new ATOM 0 HB3 SER A 34 -6.050 -10.745 -3.403 1.00 0.00 H new ATOM 0 HG SER A 34 -5.854 -10.960 -5.702 1.00 0.00 H new ATOM 481 N CYS A 35 -4.588 -7.147 -4.964 1.00 0.00 N ATOM 482 CA CYS A 35 -3.781 -6.286 -5.814 1.00 0.00 C ATOM 483 C CYS A 35 -3.405 -5.007 -5.071 1.00 0.00 C ATOM 484 O CYS A 35 -2.366 -4.405 -5.343 1.00 0.00 O ATOM 485 CB CYS A 35 -4.498 -5.977 -7.128 1.00 0.00 C ATOM 486 SG CYS A 35 -4.814 -7.427 -8.163 1.00 0.00 S ATOM 0 H CYS A 35 -5.594 -7.008 -5.057 1.00 0.00 H new ATOM 0 HA CYS A 35 -2.862 -6.816 -6.064 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -5.448 -5.491 -6.904 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -3.900 -5.264 -7.695 1.00 0.00 H new ATOM 0 HG CYS A 35 -5.595 -7.095 -9.148 1.00 0.00 H new ATOM 491 N PHE A 36 -4.139 -4.743 -3.995 1.00 0.00 N ATOM 492 CA PHE A 36 -3.802 -3.673 -3.070 1.00 0.00 C ATOM 493 C PHE A 36 -2.426 -3.914 -2.455 1.00 0.00 C ATOM 494 O PHE A 36 -2.280 -4.709 -1.528 1.00 0.00 O ATOM 495 CB PHE A 36 -4.837 -3.492 -1.928 1.00 0.00 C ATOM 496 CG PHE A 36 -5.100 -2.047 -1.618 1.00 0.00 C ATOM 497 CD1 PHE A 36 -4.099 -1.077 -1.575 1.00 0.00 C ATOM 498 CD2 PHE A 36 -6.414 -1.690 -1.304 1.00 0.00 C ATOM 499 CE1 PHE A 36 -4.397 0.238 -1.201 1.00 0.00 C ATOM 500 CE2 PHE A 36 -6.744 -0.378 -1.000 1.00 0.00 C ATOM 501 CZ PHE A 36 -5.733 0.584 -0.936 1.00 0.00 C ATOM 0 H PHE A 36 -4.979 -5.263 -3.743 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.805 -2.758 -3.662 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.772 -3.977 -2.209 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.475 -3.993 -1.030 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.085 -1.343 -1.833 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.184 -2.447 -1.298 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.613 0.976 -1.117 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.772 -0.103 -0.815 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.981 1.604 -0.680 1.00 0.00 H new ATOM 511 N ARG A 37 -1.416 -3.303 -3.062 1.00 0.00 N ATOM 512 CA ARG A 37 -0.029 -3.600 -2.738 1.00 0.00 C ATOM 513 C ARG A 37 0.762 -2.304 -2.551 1.00 0.00 C ATOM 514 O ARG A 37 0.943 -1.543 -3.502 1.00 0.00 O ATOM 515 CB ARG A 37 0.638 -4.460 -3.818 1.00 0.00 C ATOM 516 CG ARG A 37 0.685 -3.820 -5.199 1.00 0.00 C ATOM 517 CD ARG A 37 1.115 -4.795 -6.243 1.00 0.00 C ATOM 518 NE ARG A 37 1.755 -4.140 -7.375 1.00 0.00 N ATOM 519 CZ ARG A 37 2.993 -3.642 -7.327 1.00 0.00 C ATOM 520 NH1 ARG A 37 3.654 -3.530 -6.178 1.00 0.00 N ATOM 521 NH2 ARG A 37 3.558 -3.195 -8.449 1.00 0.00 N ATOM 0 H ARG A 37 -1.535 -2.594 -3.786 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.028 -4.167 -1.807 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.656 -4.690 -3.504 1.00 0.00 H new ATOM 0 HB3 ARG A 37 0.105 -5.408 -3.889 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.300 -3.426 -5.452 1.00 0.00 H new ATOM 0 HG3 ARG A 37 1.372 -2.974 -5.185 1.00 0.00 H new ATOM 0 HD2 ARG A 37 1.806 -5.515 -5.804 1.00 0.00 H new ATOM 0 HD3 ARG A 37 0.249 -5.357 -6.592 1.00 0.00 H new ATOM 0 HE ARG A 37 1.232 -4.058 -8.247 1.00 0.00 H new ATOM 0 HH11 ARG A 37 3.216 -3.828 -5.306 1.00 0.00 H new ATOM 0 HH12 ARG A 37 4.599 -3.146 -6.169 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.045 -3.236 -9.330 1.00 0.00 H new ATOM 0 HH22 ARG A 37 4.503 -2.812 -8.427 1.00 0.00 H new ATOM 535 N CYS A 38 1.429 -2.205 -1.407 1.00 0.00 N ATOM 536 CA CYS A 38 2.490 -1.229 -1.205 1.00 0.00 C ATOM 537 C CYS A 38 3.620 -1.461 -2.216 1.00 0.00 C ATOM 538 O CYS A 38 4.547 -2.226 -1.922 1.00 0.00 O ATOM 539 CB CYS A 38 3.014 -1.280 0.229 1.00 0.00 C ATOM 540 SG CYS A 38 4.050 0.127 0.698 1.00 0.00 S ATOM 0 H CYS A 38 1.249 -2.798 -0.596 1.00 0.00 H new ATOM 0 HA CYS A 38 2.081 -0.232 -1.369 1.00 0.00 H new ATOM 0 HB2 CYS A 38 2.165 -1.334 0.911 1.00 0.00 H new ATOM 0 HB3 CYS A 38 3.588 -2.198 0.361 1.00 0.00 H new ATOM 0 HG CYS A 38 4.059 0.247 1.992 1.00 0.00 H new ATOM 545 N ALA A 39 3.749 -0.500 -3.128 1.00 0.00 N ATOM 546 CA ALA A 39 4.915 -0.402 -3.994 1.00 0.00 C ATOM 547 C ALA A 39 5.939 0.563 -3.401 1.00 0.00 C ATOM 548 O ALA A 39 6.719 1.175 -4.129 1.00 0.00 O ATOM 549 CB ALA A 39 4.498 0.034 -5.395 1.00 0.00 C ATOM 0 H ALA A 39 3.051 0.227 -3.285 1.00 0.00 H new ATOM 0 HA ALA A 39 5.381 -1.384 -4.069 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.380 0.103 -6.032 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.805 -0.697 -5.812 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.011 1.008 -5.343 1.00 0.00 H new ATOM 555 N LYS A 40 6.105 0.467 -2.082 1.00 0.00 N ATOM 556 CA LYS A 40 7.013 1.348 -1.363 1.00 0.00 C ATOM 557 C LYS A 40 7.967 0.538 -0.493 1.00 0.00 C ATOM 558 O LYS A 40 9.168 0.798 -0.460 1.00 0.00 O ATOM 559 CB LYS A 40 6.261 2.348 -0.483 1.00 0.00 C ATOM 560 CG LYS A 40 6.783 3.781 -0.585 1.00 0.00 C ATOM 561 CD LYS A 40 7.985 4.041 0.304 1.00 0.00 C ATOM 562 CE LYS A 40 9.289 3.769 -0.320 1.00 0.00 C ATOM 563 NZ LYS A 40 9.789 4.948 -1.072 1.00 0.00 N ATOM 0 H LYS A 40 5.622 -0.212 -1.494 1.00 0.00 H new ATOM 0 HA LYS A 40 7.576 1.904 -2.113 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.206 2.336 -0.757 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.324 2.022 0.555 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.052 3.991 -1.620 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.984 4.472 -0.317 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.963 5.083 0.625 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.894 3.429 1.201 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.011 3.494 0.449 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.200 2.917 -0.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.710 4.722 -1.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.111 5.195 -1.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.897 5.754 -0.423 1.00 0.00 H new ATOM 577 N CYS A 41 7.423 -0.490 0.152 1.00 0.00 N ATOM 578 CA CYS A 41 8.244 -1.516 0.784 1.00 0.00 C ATOM 579 C CYS A 41 8.160 -2.824 0.002 1.00 0.00 C ATOM 580 O CYS A 41 9.145 -3.550 -0.116 1.00 0.00 O ATOM 581 CB CYS A 41 7.905 -1.687 2.256 1.00 0.00 C ATOM 582 SG CYS A 41 6.207 -2.165 2.629 1.00 0.00 S ATOM 0 H CYS A 41 6.418 -0.634 0.250 1.00 0.00 H new ATOM 0 HA CYS A 41 9.283 -1.188 0.756 1.00 0.00 H new ATOM 0 HB2 CYS A 41 8.573 -2.438 2.677 1.00 0.00 H new ATOM 0 HB3 CYS A 41 8.118 -0.749 2.768 1.00 0.00 H new ATOM 0 HG CYS A 41 5.387 -1.407 1.964 1.00 0.00 H new ATOM 587 N GLY A 42 7.034 -3.005 -0.679 1.00 0.00 N ATOM 588 CA GLY A 42 6.867 -4.099 -1.624 1.00 0.00 C ATOM 589 C GLY A 42 6.114 -5.256 -0.975 1.00 0.00 C ATOM 590 O GLY A 42 6.049 -6.353 -1.528 1.00 0.00 O ATOM 0 H GLY A 42 6.217 -2.401 -0.591 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.322 -3.750 -2.501 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.843 -4.441 -1.970 1.00 0.00 H new ATOM 594 N LYS A 43 5.430 -4.946 0.121 1.00 0.00 N ATOM 595 CA LYS A 43 4.486 -5.874 0.729 1.00 0.00 C ATOM 596 C LYS A 43 3.062 -5.544 0.294 1.00 0.00 C ATOM 597 O LYS A 43 2.695 -4.379 0.162 1.00 0.00 O ATOM 598 CB LYS A 43 4.560 -5.842 2.256 1.00 0.00 C ATOM 599 CG LYS A 43 4.516 -7.225 2.908 1.00 0.00 C ATOM 600 CD LYS A 43 4.510 -7.168 4.425 1.00 0.00 C ATOM 601 CE LYS A 43 3.980 -8.372 5.087 1.00 0.00 C ATOM 602 NZ LYS A 43 2.515 -8.269 5.309 1.00 0.00 N ATOM 0 H LYS A 43 5.513 -4.054 0.608 1.00 0.00 H new ATOM 0 HA LYS A 43 4.757 -6.874 0.390 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.480 -5.339 2.555 1.00 0.00 H new ATOM 0 HB3 LYS A 43 3.732 -5.245 2.638 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.626 -7.753 2.567 1.00 0.00 H new ATOM 0 HG3 LYS A 43 5.377 -7.804 2.575 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.529 -6.999 4.772 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.919 -6.308 4.740 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.196 -9.249 4.477 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.485 -8.516 6.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.173 -9.133 5.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.312 -7.446 5.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.032 -8.156 4.395 1.00 0.00 H new ATOM 616 N SER A 44 2.252 -6.588 0.153 1.00 0.00 N ATOM 617 CA SER A 44 0.817 -6.427 -0.037 1.00 0.00 C ATOM 618 C SER A 44 0.128 -6.182 1.301 1.00 0.00 C ATOM 619 O SER A 44 0.492 -6.770 2.316 1.00 0.00 O ATOM 620 CB SER A 44 0.211 -7.623 -0.759 1.00 0.00 C ATOM 621 OG SER A 44 1.017 -8.035 -1.848 1.00 0.00 O ATOM 0 H SER A 44 2.568 -7.558 0.167 1.00 0.00 H new ATOM 0 HA SER A 44 0.656 -5.555 -0.670 1.00 0.00 H new ATOM 0 HB2 SER A 44 0.093 -8.450 -0.059 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.785 -7.365 -1.119 1.00 0.00 H new ATOM 0 HG SER A 44 0.602 -8.805 -2.289 1.00 0.00 H new ATOM 627 N LEU A 45 -0.914 -5.357 1.266 1.00 0.00 N ATOM 628 CA LEU A 45 -1.832 -5.236 2.395 1.00 0.00 C ATOM 629 C LEU A 45 -3.072 -4.450 1.982 1.00 0.00 C ATOM 630 O LEU A 45 -3.259 -4.133 0.810 1.00 0.00 O ATOM 631 CB LEU A 45 -1.061 -4.619 3.569 1.00 0.00 C ATOM 632 CG LEU A 45 -0.117 -3.471 3.251 1.00 0.00 C ATOM 633 CD1 LEU A 45 -0.891 -2.204 2.919 1.00 0.00 C ATOM 634 CD2 LEU A 45 0.789 -3.236 4.456 1.00 0.00 C ATOM 0 H LEU A 45 -1.144 -4.763 0.470 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.203 -6.208 2.720 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.787 -4.267 4.302 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.483 -5.410 4.047 1.00 0.00 H new ATOM 0 HG LEU A 45 0.482 -3.730 2.378 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.192 -1.398 2.695 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.527 -2.383 2.052 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.509 -1.922 3.771 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.473 -2.414 4.242 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.181 -2.986 5.325 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.362 -4.140 4.662 1.00 0.00 H new ATOM 646 N GLU A 46 -3.986 -4.298 2.939 1.00 0.00 N ATOM 647 CA GLU A 46 -5.236 -3.591 2.696 1.00 0.00 C ATOM 648 C GLU A 46 -5.990 -3.387 4.013 1.00 0.00 C ATOM 649 O GLU A 46 -5.467 -3.697 5.083 1.00 0.00 O ATOM 650 CB GLU A 46 -6.056 -4.408 1.705 1.00 0.00 C ATOM 651 CG GLU A 46 -6.126 -5.888 1.974 1.00 0.00 C ATOM 652 CD GLU A 46 -6.977 -6.349 3.124 1.00 0.00 C ATOM 653 OE1 GLU A 46 -8.187 -6.216 3.169 1.00 0.00 O ATOM 654 OE2 GLU A 46 -6.325 -7.032 3.943 1.00 0.00 O ATOM 0 H GLU A 46 -3.882 -4.656 3.888 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.044 -2.603 2.277 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.072 -4.012 1.690 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.641 -4.258 0.708 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.490 -6.376 1.070 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.111 -6.247 2.143 1.00 0.00 H new ATOM 661 N SER A 47 -7.292 -3.156 3.883 1.00 0.00 N ATOM 662 CA SER A 47 -8.209 -3.198 5.011 1.00 0.00 C ATOM 663 C SER A 47 -7.932 -2.045 5.971 1.00 0.00 C ATOM 664 O SER A 47 -8.604 -1.016 5.931 1.00 0.00 O ATOM 665 CB SER A 47 -8.164 -4.541 5.726 1.00 0.00 C ATOM 666 OG SER A 47 -9.398 -5.226 5.624 1.00 0.00 O ATOM 0 H SER A 47 -7.739 -2.935 2.993 1.00 0.00 H new ATOM 0 HA SER A 47 -9.221 -3.081 4.622 1.00 0.00 H new ATOM 0 HB2 SER A 47 -7.370 -5.154 5.300 1.00 0.00 H new ATOM 0 HB3 SER A 47 -7.918 -4.387 6.777 1.00 0.00 H new ATOM 0 HG SER A 47 -9.401 -5.775 4.812 1.00 0.00 H new ATOM 672 N THR A 48 -7.006 -2.278 6.895 1.00 0.00 N ATOM 673 CA THR A 48 -6.836 -1.403 8.049 1.00 0.00 C ATOM 674 C THR A 48 -5.355 -1.172 8.326 1.00 0.00 C ATOM 675 O THR A 48 -4.947 -0.994 9.473 1.00 0.00 O ATOM 676 CB THR A 48 -7.561 -1.987 9.332 1.00 0.00 C ATOM 677 OG1 THR A 48 -7.493 -0.935 10.346 1.00 0.00 O ATOM 678 CG2 THR A 48 -6.970 -3.304 9.830 1.00 0.00 C ATOM 0 H THR A 48 -6.360 -3.067 6.867 1.00 0.00 H new ATOM 0 HA THR A 48 -7.302 -0.446 7.815 1.00 0.00 H new ATOM 0 HB THR A 48 -8.591 -2.247 9.089 1.00 0.00 H new ATOM 0 HG1 THR A 48 -6.566 -0.632 10.442 1.00 0.00 H new ATOM 0 HG21 THR A 48 -7.519 -3.640 10.710 1.00 0.00 H new ATOM 0 HG22 THR A 48 -7.047 -4.057 9.045 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.922 -3.157 10.091 1.00 0.00 H new ATOM 686 N THR A 49 -4.603 -0.966 7.247 1.00 0.00 N ATOM 687 CA THR A 49 -3.162 -0.779 7.345 1.00 0.00 C ATOM 688 C THR A 49 -2.598 -0.276 6.020 1.00 0.00 C ATOM 689 O THR A 49 -1.459 -0.573 5.664 1.00 0.00 O ATOM 690 CB THR A 49 -2.431 -2.113 7.792 1.00 0.00 C ATOM 691 OG1 THR A 49 -3.203 -3.210 7.209 1.00 0.00 O ATOM 692 CG2 THR A 49 -2.280 -2.257 9.306 1.00 0.00 C ATOM 0 H THR A 49 -4.970 -0.925 6.296 1.00 0.00 H new ATOM 0 HA THR A 49 -2.976 -0.028 8.113 1.00 0.00 H new ATOM 0 HB THR A 49 -1.402 -2.110 7.433 1.00 0.00 H new ATOM 0 HG1 THR A 49 -2.792 -4.065 7.454 1.00 0.00 H new ATOM 0 HG21 THR A 49 -1.771 -3.194 9.533 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.696 -1.423 9.694 1.00 0.00 H new ATOM 0 HG23 THR A 49 -3.266 -2.257 9.772 1.00 0.00 H new ATOM 700 N LEU A 50 -3.344 0.630 5.393 1.00 0.00 N ATOM 701 CA LEU A 50 -3.000 1.108 4.060 1.00 0.00 C ATOM 702 C LEU A 50 -3.093 2.630 4.000 1.00 0.00 C ATOM 703 O LEU A 50 -3.812 3.246 4.786 1.00 0.00 O ATOM 704 CB LEU A 50 -3.910 0.391 3.051 1.00 0.00 C ATOM 705 CG LEU A 50 -5.359 0.846 2.989 1.00 0.00 C ATOM 706 CD1 LEU A 50 -5.588 1.781 1.811 1.00 0.00 C ATOM 707 CD2 LEU A 50 -6.252 -0.385 2.863 1.00 0.00 C ATOM 0 H LEU A 50 -4.188 1.046 5.787 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.967 0.872 3.806 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.475 0.508 2.059 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.898 -0.674 3.281 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.602 1.394 3.899 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.633 2.091 1.790 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.951 2.659 1.914 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.345 1.263 0.883 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.296 -0.074 2.817 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.995 -0.929 1.954 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.104 -1.032 3.727 1.00 0.00 H new ATOM 719 N ALA A 51 -2.559 3.184 2.915 1.00 0.00 N ATOM 720 CA ALA A 51 -2.545 4.628 2.724 1.00 0.00 C ATOM 721 C ALA A 51 -2.308 4.965 1.252 1.00 0.00 C ATOM 722 O ALA A 51 -1.162 5.075 0.815 1.00 0.00 O ATOM 723 CB ALA A 51 -1.483 5.269 3.611 1.00 0.00 C ATOM 0 H ALA A 51 -2.131 2.654 2.156 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.515 5.032 3.012 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.484 6.348 3.458 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.702 5.051 4.656 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.503 4.867 3.354 1.00 0.00 H new ATOM 729 N ASP A 52 -3.387 5.350 0.580 1.00 0.00 N ATOM 730 CA ASP A 52 -3.302 5.910 -0.762 1.00 0.00 C ATOM 731 C ASP A 52 -2.799 7.350 -0.705 1.00 0.00 C ATOM 732 O ASP A 52 -2.519 7.876 0.371 1.00 0.00 O ATOM 733 CB ASP A 52 -4.612 5.736 -1.529 1.00 0.00 C ATOM 734 CG ASP A 52 -5.736 6.606 -1.001 1.00 0.00 C ATOM 735 OD1 ASP A 52 -6.280 6.351 0.084 1.00 0.00 O ATOM 736 OD2 ASP A 52 -6.060 7.583 -1.710 1.00 0.00 O ATOM 0 H ASP A 52 -4.337 5.283 0.946 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.564 5.350 -1.337 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.443 5.970 -2.580 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.917 4.691 -1.480 1.00 0.00 H new ATOM 741 N LYS A 53 -2.465 7.874 -1.881 1.00 0.00 N ATOM 742 CA LYS A 53 -1.925 9.220 -1.996 1.00 0.00 C ATOM 743 C LYS A 53 -1.808 9.625 -3.463 1.00 0.00 C ATOM 744 O LYS A 53 -0.819 9.320 -4.125 1.00 0.00 O ATOM 745 CB LYS A 53 -0.550 9.342 -1.336 1.00 0.00 C ATOM 746 CG LYS A 53 -0.478 10.412 -0.247 1.00 0.00 C ATOM 747 CD LYS A 53 0.345 11.621 -0.653 1.00 0.00 C ATOM 748 CE LYS A 53 -0.140 12.906 -0.122 1.00 0.00 C ATOM 749 NZ LYS A 53 0.217 13.070 1.310 1.00 0.00 N ATOM 0 H LYS A 53 -2.560 7.382 -2.770 1.00 0.00 H new ATOM 0 HA LYS A 53 -2.617 9.885 -1.479 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.279 8.379 -0.904 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.191 9.567 -2.103 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.488 10.735 0.004 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.050 9.975 0.655 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.372 11.471 -0.321 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.367 11.679 -1.741 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.287 13.725 -0.701 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.222 12.964 -0.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.139 13.985 1.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.211 12.301 1.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.251 13.039 1.416 1.00 0.00 H new ATOM 763 N ASP A 54 -2.773 10.418 -3.916 1.00 0.00 N ATOM 764 CA ASP A 54 -2.649 11.137 -5.179 1.00 0.00 C ATOM 765 C ASP A 54 -2.485 10.157 -6.336 1.00 0.00 C ATOM 766 O ASP A 54 -2.084 10.537 -7.434 1.00 0.00 O ATOM 767 CB ASP A 54 -1.566 12.212 -5.109 1.00 0.00 C ATOM 768 CG ASP A 54 -2.006 13.459 -4.367 1.00 0.00 C ATOM 769 OD1 ASP A 54 -3.064 13.996 -4.764 1.00 0.00 O ATOM 770 OD2 ASP A 54 -1.375 13.866 -3.380 1.00 0.00 O ATOM 0 H ASP A 54 -3.653 10.580 -3.425 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.573 11.682 -5.372 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.684 11.798 -4.619 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.269 12.486 -6.122 1.00 0.00 H new ATOM 775 N GLY A 55 -2.878 8.912 -6.089 1.00 0.00 N ATOM 776 CA GLY A 55 -2.981 7.915 -7.146 1.00 0.00 C ATOM 777 C GLY A 55 -2.035 6.751 -6.874 1.00 0.00 C ATOM 778 O GLY A 55 -2.286 5.621 -7.286 1.00 0.00 O ATOM 0 H GLY A 55 -3.131 8.569 -5.162 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.006 7.551 -7.212 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -2.742 8.369 -8.107 1.00 0.00 H new ATOM 782 N GLU A 56 -0.909 7.066 -6.241 1.00 0.00 N ATOM 783 CA GLU A 56 0.007 6.039 -5.758 1.00 0.00 C ATOM 784 C GLU A 56 -0.134 5.888 -4.240 1.00 0.00 C ATOM 785 O GLU A 56 -0.883 6.635 -3.610 1.00 0.00 O ATOM 786 CB GLU A 56 1.419 6.444 -6.151 1.00 0.00 C ATOM 787 CG GLU A 56 1.785 7.883 -5.899 1.00 0.00 C ATOM 788 CD GLU A 56 3.202 8.181 -5.493 1.00 0.00 C ATOM 789 OE1 GLU A 56 4.160 8.067 -6.238 1.00 0.00 O ATOM 790 OE2 GLU A 56 3.263 8.711 -4.363 1.00 0.00 O ATOM 0 H GLU A 56 -0.610 8.022 -6.051 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.224 5.071 -6.203 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.122 5.810 -5.610 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.554 6.236 -7.212 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.570 8.448 -6.806 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.125 8.266 -5.121 1.00 0.00 H new ATOM 797 N ILE A 57 0.398 4.785 -3.723 1.00 0.00 N ATOM 798 CA ILE A 57 -0.039 4.255 -2.430 1.00 0.00 C ATOM 799 C ILE A 57 1.116 3.557 -1.726 1.00 0.00 C ATOM 800 O ILE A 57 1.802 2.716 -2.305 1.00 0.00 O ATOM 801 CB ILE A 57 -1.282 3.312 -2.633 1.00 0.00 C ATOM 802 CG1 ILE A 57 -0.847 2.040 -3.406 1.00 0.00 C ATOM 803 CG2 ILE A 57 -2.461 4.031 -3.327 1.00 0.00 C ATOM 804 CD1 ILE A 57 -1.956 0.971 -3.556 1.00 0.00 C ATOM 0 H ILE A 57 1.131 4.240 -4.176 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.354 5.074 -1.783 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.651 3.019 -1.650 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.505 2.332 -4.399 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.005 1.592 -2.894 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.293 3.337 -3.443 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.778 4.879 -2.720 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.144 4.385 -4.308 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -1.565 0.117 -4.109 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.284 0.646 -2.569 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.801 1.397 -4.097 1.00 0.00 H new ATOM 816 N TYR A 58 1.327 3.916 -0.461 1.00 0.00 N ATOM 817 CA TYR A 58 2.126 3.083 0.440 1.00 0.00 C ATOM 818 C TYR A 58 1.322 2.767 1.701 1.00 0.00 C ATOM 819 O TYR A 58 0.116 3.015 1.751 1.00 0.00 O ATOM 820 CB TYR A 58 3.461 3.761 0.786 1.00 0.00 C ATOM 821 CG TYR A 58 3.322 5.072 1.529 1.00 0.00 C ATOM 822 CD1 TYR A 58 2.568 6.113 0.984 1.00 0.00 C ATOM 823 CD2 TYR A 58 3.801 5.222 2.833 1.00 0.00 C ATOM 824 CE1 TYR A 58 2.319 7.281 1.699 1.00 0.00 C ATOM 825 CE2 TYR A 58 3.562 6.385 3.563 1.00 0.00 C ATOM 826 CZ TYR A 58 2.827 7.417 2.984 1.00 0.00 C ATOM 827 OH TYR A 58 2.609 8.599 3.636 1.00 0.00 O ATOM 0 H TYR A 58 0.961 4.769 -0.038 1.00 0.00 H new ATOM 0 HA TYR A 58 2.362 2.147 -0.066 1.00 0.00 H new ATOM 0 HB2 TYR A 58 4.056 3.076 1.390 1.00 0.00 H new ATOM 0 HB3 TYR A 58 4.015 3.937 -0.136 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.169 6.010 -0.014 1.00 0.00 H new ATOM 0 HD2 TYR A 58 4.368 4.421 3.284 1.00 0.00 H new ATOM 0 HE1 TYR A 58 1.735 8.075 1.258 1.00 0.00 H new ATOM 0 HE2 TYR A 58 3.943 6.485 4.569 1.00 0.00 H new ATOM 0 HH TYR A 58 2.491 8.427 4.594 1.00 0.00 H new ATOM 837 N CYS A 59 1.961 2.087 2.654 1.00 0.00 N ATOM 838 CA CYS A 59 1.216 1.238 3.593 1.00 0.00 C ATOM 839 C CYS A 59 1.251 1.811 4.994 1.00 0.00 C ATOM 840 O CYS A 59 2.035 2.717 5.294 1.00 0.00 O ATOM 841 CB CYS A 59 1.591 -0.218 3.466 1.00 0.00 C ATOM 842 SG CYS A 59 3.137 -0.798 4.160 1.00 0.00 S ATOM 0 H CYS A 59 2.971 2.104 2.798 1.00 0.00 H new ATOM 0 HA CYS A 59 0.161 1.250 3.320 1.00 0.00 H new ATOM 0 HB2 CYS A 59 0.790 -0.802 3.920 1.00 0.00 H new ATOM 0 HB3 CYS A 59 1.599 -0.461 2.403 1.00 0.00 H new ATOM 0 HG CYS A 59 4.067 0.086 3.947 1.00 0.00 H new ATOM 847 N LYS A 60 0.240 1.457 5.793 1.00 0.00 N ATOM 848 CA LYS A 60 0.276 1.746 7.224 1.00 0.00 C ATOM 849 C LYS A 60 1.308 0.844 7.908 1.00 0.00 C ATOM 850 O LYS A 60 1.930 1.254 8.890 1.00 0.00 O ATOM 851 CB LYS A 60 -1.084 1.529 7.883 1.00 0.00 C ATOM 852 CG LYS A 60 -1.240 2.229 9.235 1.00 0.00 C ATOM 853 CD LYS A 60 -1.645 3.686 9.106 1.00 0.00 C ATOM 854 CE LYS A 60 -1.760 4.411 10.382 1.00 0.00 C ATOM 855 NZ LYS A 60 -0.427 4.657 10.990 1.00 0.00 N ATOM 0 H LYS A 60 -0.602 0.976 5.476 1.00 0.00 H new ATOM 0 HA LYS A 60 0.549 2.795 7.339 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.863 1.885 7.209 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.244 0.459 8.019 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.988 1.701 9.827 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.299 2.166 9.781 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -0.915 4.197 8.479 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.602 3.738 8.588 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -2.267 5.362 10.217 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -2.376 3.837 11.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -0.427 4.322 11.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 0.300 4.145 10.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -0.219 5.676 10.971 1.00 0.00 H new ATOM 869 N GLY A 61 1.727 -0.179 7.167 1.00 0.00 N ATOM 870 CA GLY A 61 2.914 -0.951 7.497 1.00 0.00 C ATOM 871 C GLY A 61 4.166 -0.090 7.422 1.00 0.00 C ATOM 872 O GLY A 61 5.236 -0.482 7.888 1.00 0.00 O ATOM 0 H GLY A 61 1.251 -0.493 6.322 1.00 0.00 H new ATOM 0 HA2 GLY A 61 2.814 -1.366 8.500 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.006 -1.793 6.811 1.00 0.00 H new ATOM 876 N CYS A 62 4.004 1.129 6.909 1.00 0.00 N ATOM 877 CA CYS A 62 5.159 1.930 6.494 1.00 0.00 C ATOM 878 C CYS A 62 5.217 3.206 7.343 1.00 0.00 C ATOM 879 O CYS A 62 6.176 3.410 8.087 1.00 0.00 O ATOM 880 CB CYS A 62 5.088 2.261 5.010 1.00 0.00 C ATOM 881 SG CYS A 62 6.176 1.290 3.943 1.00 0.00 S ATOM 0 H CYS A 62 3.099 1.580 6.771 1.00 0.00 H new ATOM 0 HA CYS A 62 6.071 1.354 6.652 1.00 0.00 H new ATOM 0 HB2 CYS A 62 4.060 2.123 4.674 1.00 0.00 H new ATOM 0 HB3 CYS A 62 5.327 3.316 4.879 1.00 0.00 H new ATOM 0 HG CYS A 62 6.020 1.665 2.708 1.00 0.00 H new ATOM 886 N TYR A 63 4.055 3.841 7.468 1.00 0.00 N ATOM 887 CA TYR A 63 3.836 4.871 8.473 1.00 0.00 C ATOM 888 C TYR A 63 4.035 4.299 9.874 1.00 0.00 C ATOM 889 O TYR A 63 4.327 5.030 10.818 1.00 0.00 O ATOM 890 CB TYR A 63 2.430 5.494 8.332 1.00 0.00 C ATOM 891 CG TYR A 63 2.424 7.002 8.250 1.00 0.00 C ATOM 892 CD1 TYR A 63 2.791 7.649 7.070 1.00 0.00 C ATOM 893 CD2 TYR A 63 2.066 7.791 9.347 1.00 0.00 C ATOM 894 CE1 TYR A 63 2.755 9.035 6.962 1.00 0.00 C ATOM 895 CE2 TYR A 63 2.029 9.181 9.258 1.00 0.00 C ATOM 896 CZ TYR A 63 2.361 9.798 8.053 1.00 0.00 C ATOM 897 OH TYR A 63 2.285 11.154 7.893 1.00 0.00 O ATOM 0 H TYR A 63 3.244 3.656 6.878 1.00 0.00 H new ATOM 0 HA TYR A 63 4.569 5.662 8.314 1.00 0.00 H new ATOM 0 HB2 TYR A 63 1.955 5.091 7.437 1.00 0.00 H new ATOM 0 HB3 TYR A 63 1.822 5.186 9.182 1.00 0.00 H new ATOM 0 HD1 TYR A 63 3.110 7.061 6.222 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.813 7.314 10.282 1.00 0.00 H new ATOM 0 HE1 TYR A 63 3.032 9.515 6.035 1.00 0.00 H new ATOM 0 HE2 TYR A 63 1.746 9.775 10.115 1.00 0.00 H new ATOM 0 HH TYR A 63 1.996 11.567 8.734 1.00 0.00 H new ATOM 907 N ALA A 64 4.052 2.972 9.943 1.00 0.00 N ATOM 908 CA ALA A 64 4.396 2.266 11.167 1.00 0.00 C ATOM 909 C ALA A 64 5.898 1.995 11.221 1.00 0.00 C ATOM 910 O ALA A 64 6.597 2.489 12.102 1.00 0.00 O ATOM 911 CB ALA A 64 3.602 0.968 11.272 1.00 0.00 C ATOM 0 H ALA A 64 3.829 2.361 9.157 1.00 0.00 H new ATOM 0 HA ALA A 64 4.134 2.893 12.019 1.00 0.00 H new ATOM 0 HB1 ALA A 64 3.870 0.451 12.193 1.00 0.00 H new ATOM 0 HB2 ALA A 64 2.536 1.193 11.280 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.832 0.331 10.418 1.00 0.00 H new ATOM 917 N LYS A 65 6.352 1.122 10.329 1.00 0.00 N ATOM 918 CA LYS A 65 7.683 0.535 10.438 1.00 0.00 C ATOM 919 C LYS A 65 8.750 1.622 10.375 1.00 0.00 C ATOM 920 O LYS A 65 9.884 1.419 10.806 1.00 0.00 O ATOM 921 CB LYS A 65 7.946 -0.486 9.330 1.00 0.00 C ATOM 922 CG LYS A 65 7.565 -1.919 9.703 1.00 0.00 C ATOM 923 CD LYS A 65 8.544 -2.564 10.666 1.00 0.00 C ATOM 924 CE LYS A 65 8.334 -4.003 10.893 1.00 0.00 C ATOM 925 NZ LYS A 65 8.074 -4.721 9.619 1.00 0.00 N ATOM 0 H LYS A 65 5.817 0.804 9.521 1.00 0.00 H new ATOM 0 HA LYS A 65 7.729 0.023 11.399 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.389 -0.193 8.440 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.004 -0.458 9.068 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.571 -1.920 10.150 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.507 -2.521 8.796 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.555 -2.415 10.287 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.483 -2.047 11.624 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.212 -4.428 11.379 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.493 -4.147 11.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.182 -5.744 9.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.106 -4.518 9.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.752 -4.404 8.897 1.00 0.00 H new ATOM 939 N ASN A 66 8.402 2.728 9.727 1.00 0.00 N ATOM 940 CA ASN A 66 9.371 3.759 9.385 1.00 0.00 C ATOM 941 C ASN A 66 9.436 4.816 10.484 1.00 0.00 C ATOM 942 O ASN A 66 10.338 5.650 10.503 1.00 0.00 O ATOM 943 CB ASN A 66 9.123 4.325 7.988 1.00 0.00 C ATOM 944 CG ASN A 66 10.316 4.179 7.062 1.00 0.00 C ATOM 945 OD1 ASN A 66 10.743 3.058 6.748 1.00 0.00 O ATOM 946 ND2 ASN A 66 10.853 5.312 6.610 1.00 0.00 N ATOM 0 H ASN A 66 7.449 2.933 9.427 1.00 0.00 H new ATOM 0 HA ASN A 66 10.363 3.311 9.334 1.00 0.00 H new ATOM 0 HB2 ASN A 66 8.264 3.820 7.546 1.00 0.00 H new ATOM 0 HB3 ASN A 66 8.864 5.380 8.072 1.00 0.00 H new ATOM 0 HD21 ASN A 66 11.652 5.281 5.976 1.00 0.00 H new ATOM 0 HD22 ASN A 66 10.465 6.210 6.898 1.00 0.00 H new