USER MOD reduce.3.24.130724 H: found=0, std=0, add=417, rem=0, adj=22 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 152:sc= -0.118 USER MOD Set 1.2: A 41 CYS SG : rot -51:sc= 0.594 USER MOD Set 1.3: A 59 CYS SG : rot -41:sc= -3.38! USER MOD Set 1.4: A 62 CYS SG : rot 180:sc= 0.452 USER MOD Set 2.1: A 11 CYS SG : rot 135:sc= 0.392 USER MOD Set 2.2: A 14 CYS SG : rot -49:sc= 0.207 USER MOD Set 2.3: A 32 HIS : no HE2:sc= -5.91! C(o=-5.5!,f=-14!) USER MOD Set 2.4: A 35 CYS SG : rot 170:sc= -0.189 USER MOD Single : A 16 GLN : amide:sc= -0.172 K(o=-0.17,f=-1.5!) 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+ -147:sc= -0.275 (180deg=-1.22!) USER MOD Single : A 30 SER OG : rot -110:sc= -1.83 USER MOD Single : A 33 LYS NZ :NH3+ -152:sc= 0.0135 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.125) USER MOD Single : A 44 SER OG : rot 180:sc= -0.0441 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -126:sc= 0.336 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -122:sc=-0.00822 (180deg=-0.285) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN :FLIP amide:sc= -0.338 F(o=-1,f=-0.34) USER MOD ----------------------------------------------------------------- ATOM 122 N GLY A 10 -14.575 -4.758 -10.280 1.00 0.00 N ATOM 123 CA GLY A 10 -13.491 -5.108 -11.188 1.00 0.00 C ATOM 124 C GLY A 10 -12.237 -4.297 -10.869 1.00 0.00 C ATOM 125 O GLY A 10 -12.191 -3.577 -9.871 1.00 0.00 O ATOM 0 HA2 GLY A 10 -13.272 -6.173 -11.107 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -13.798 -4.923 -12.217 1.00 0.00 H new ATOM 129 N CYS A 11 -11.171 -4.557 -11.625 1.00 0.00 N ATOM 130 CA CYS A 11 -9.816 -4.243 -11.169 1.00 0.00 C ATOM 131 C CYS A 11 -9.026 -3.595 -12.329 1.00 0.00 C ATOM 132 O CYS A 11 -8.433 -4.305 -13.165 1.00 0.00 O ATOM 133 CB CYS A 11 -9.110 -5.502 -10.680 1.00 0.00 C ATOM 134 SG CYS A 11 -7.700 -5.201 -9.588 1.00 0.00 S ATOM 0 H CYS A 11 -11.218 -4.982 -12.551 1.00 0.00 H new ATOM 0 HA CYS A 11 -9.871 -3.544 -10.335 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -9.832 -6.127 -10.155 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -8.768 -6.070 -11.545 1.00 0.00 H new ATOM 0 HG CYS A 11 -7.754 -6.014 -8.575 1.00 0.00 H new ATOM 139 N PRO A 12 -8.733 -2.290 -12.151 1.00 0.00 N ATOM 140 CA PRO A 12 -7.745 -1.563 -12.985 1.00 0.00 C ATOM 141 C PRO A 12 -6.374 -2.234 -13.035 1.00 0.00 C ATOM 142 O PRO A 12 -5.524 -1.865 -13.844 1.00 0.00 O ATOM 143 CB PRO A 12 -7.689 -0.140 -12.443 1.00 0.00 C ATOM 144 CG PRO A 12 -8.852 0.059 -11.514 1.00 0.00 C ATOM 145 CD PRO A 12 -9.368 -1.336 -11.195 1.00 0.00 C ATOM 0 HA PRO A 12 -8.061 -1.568 -14.028 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -6.750 0.029 -11.916 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -7.729 0.579 -13.261 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -8.544 0.579 -10.607 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -9.627 0.666 -11.982 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -9.125 -1.607 -10.168 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -10.454 -1.371 -11.286 1.00 0.00 H new ATOM 153 N ARG A 13 -6.120 -3.084 -12.047 1.00 0.00 N ATOM 154 CA ARG A 13 -4.782 -3.598 -11.792 1.00 0.00 C ATOM 155 C ARG A 13 -4.522 -4.847 -12.631 1.00 0.00 C ATOM 156 O ARG A 13 -3.615 -4.867 -13.462 1.00 0.00 O ATOM 157 CB ARG A 13 -4.562 -3.913 -10.309 1.00 0.00 C ATOM 158 CG ARG A 13 -5.150 -2.889 -9.348 1.00 0.00 C ATOM 159 CD ARG A 13 -4.181 -1.795 -9.049 1.00 0.00 C ATOM 160 NE ARG A 13 -4.748 -0.478 -9.297 1.00 0.00 N ATOM 161 CZ ARG A 13 -4.102 0.484 -9.960 1.00 0.00 C ATOM 162 NH1 ARG A 13 -2.815 0.367 -10.276 1.00 0.00 N ATOM 163 NH2 ARG A 13 -4.748 1.610 -10.267 1.00 0.00 N ATOM 0 H ARG A 13 -6.831 -3.434 -11.405 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.077 -2.817 -12.076 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -4.997 -4.888 -10.090 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.491 -3.993 -10.123 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.057 -2.465 -9.778 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -5.438 -3.384 -8.420 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -3.867 -1.864 -8.007 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -3.288 -1.926 -9.660 1.00 0.00 H new ATOM 0 HE ARG A 13 -5.685 -0.280 -8.947 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -2.299 -0.472 -10.011 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -2.344 1.116 -10.783 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -5.724 1.728 -9.995 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -4.266 2.353 -10.773 1.00 0.00 H new ATOM 177 N CYS A 14 -5.175 -5.936 -12.232 1.00 0.00 N ATOM 178 CA CYS A 14 -4.922 -7.241 -12.821 1.00 0.00 C ATOM 179 C CYS A 14 -5.779 -7.443 -14.068 1.00 0.00 C ATOM 180 O CYS A 14 -5.429 -8.221 -14.953 1.00 0.00 O ATOM 181 CB CYS A 14 -5.098 -8.366 -11.810 1.00 0.00 C ATOM 182 SG CYS A 14 -6.721 -8.463 -11.027 1.00 0.00 S ATOM 0 H CYS A 14 -5.885 -5.936 -11.500 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.877 -7.273 -13.131 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.898 -9.314 -12.310 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -4.345 -8.251 -11.031 1.00 0.00 H new ATOM 0 HG CYS A 14 -7.062 -7.288 -10.587 1.00 0.00 H new ATOM 187 N GLY A 15 -6.822 -6.628 -14.177 1.00 0.00 N ATOM 188 CA GLY A 15 -7.661 -6.606 -15.367 1.00 0.00 C ATOM 189 C GLY A 15 -8.703 -7.718 -15.304 1.00 0.00 C ATOM 190 O GLY A 15 -9.369 -8.015 -16.295 1.00 0.00 O ATOM 0 H GLY A 15 -7.107 -5.971 -13.451 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.157 -5.639 -15.452 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.044 -6.727 -16.257 1.00 0.00 H new ATOM 194 N GLN A 16 -8.928 -8.221 -14.095 1.00 0.00 N ATOM 195 CA GLN A 16 -10.030 -9.135 -13.831 1.00 0.00 C ATOM 196 C GLN A 16 -11.261 -8.361 -13.364 1.00 0.00 C ATOM 197 O GLN A 16 -11.155 -7.217 -12.928 1.00 0.00 O ATOM 198 CB GLN A 16 -9.661 -10.234 -12.832 1.00 0.00 C ATOM 199 CG GLN A 16 -9.515 -11.606 -13.460 1.00 0.00 C ATOM 200 CD GLN A 16 -10.264 -12.682 -12.713 1.00 0.00 C ATOM 201 OE1 GLN A 16 -10.620 -12.538 -11.547 1.00 0.00 O ATOM 202 NE2 GLN A 16 -10.460 -13.811 -13.391 1.00 0.00 N ATOM 0 H GLN A 16 -8.356 -8.008 -13.278 1.00 0.00 H new ATOM 0 HA GLN A 16 -10.262 -9.638 -14.770 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -8.725 -9.967 -12.342 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -10.425 -10.279 -12.056 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -9.875 -11.568 -14.488 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -8.458 -11.869 -13.501 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -10.147 -13.885 -14.359 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -10.923 -14.601 -12.942 1.00 0.00 H new ATOM 211 N ALA A 17 -12.392 -9.057 -13.331 1.00 0.00 N ATOM 212 CA ALA A 17 -13.594 -8.543 -12.689 1.00 0.00 C ATOM 213 C ALA A 17 -14.064 -9.508 -11.601 1.00 0.00 C ATOM 214 O ALA A 17 -13.772 -10.701 -11.655 1.00 0.00 O ATOM 215 CB ALA A 17 -14.689 -8.307 -13.723 1.00 0.00 C ATOM 0 H ALA A 17 -12.501 -9.983 -13.744 1.00 0.00 H new ATOM 0 HA ALA A 17 -13.363 -7.587 -12.220 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -15.581 -7.923 -13.227 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -14.343 -7.583 -14.460 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -14.927 -9.247 -14.222 1.00 0.00 H new ATOM 221 N VAL A 18 -14.605 -8.937 -10.529 1.00 0.00 N ATOM 222 CA VAL A 18 -14.788 -9.663 -9.278 1.00 0.00 C ATOM 223 C VAL A 18 -16.243 -10.101 -9.131 1.00 0.00 C ATOM 224 O VAL A 18 -17.166 -9.346 -9.427 1.00 0.00 O ATOM 225 CB VAL A 18 -14.277 -8.836 -8.082 1.00 0.00 C ATOM 226 CG1 VAL A 18 -14.110 -9.678 -6.821 1.00 0.00 C ATOM 227 CG2 VAL A 18 -12.991 -8.095 -8.409 1.00 0.00 C ATOM 0 H VAL A 18 -14.925 -7.969 -10.503 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.185 -10.571 -9.295 1.00 0.00 H new ATOM 0 HB VAL A 18 -15.048 -8.093 -7.879 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -13.748 -9.048 -6.008 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -15.071 -10.112 -6.544 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -13.392 -10.476 -7.009 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -12.668 -7.526 -7.538 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -12.217 -8.812 -8.681 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -13.165 -7.415 -9.243 1.00 0.00 H new ATOM 237 N TYR A 19 -16.423 -11.352 -8.723 1.00 0.00 N ATOM 238 CA TYR A 19 -17.720 -12.009 -8.808 1.00 0.00 C ATOM 239 C TYR A 19 -18.664 -11.464 -7.740 1.00 0.00 C ATOM 240 O TYR A 19 -19.500 -10.607 -8.015 1.00 0.00 O ATOM 241 CB TYR A 19 -17.574 -13.541 -8.682 1.00 0.00 C ATOM 242 CG TYR A 19 -18.589 -14.329 -9.476 1.00 0.00 C ATOM 243 CD1 TYR A 19 -18.541 -14.344 -10.871 1.00 0.00 C ATOM 244 CD2 TYR A 19 -19.569 -15.099 -8.846 1.00 0.00 C ATOM 245 CE1 TYR A 19 -19.470 -15.056 -11.620 1.00 0.00 C ATOM 246 CE2 TYR A 19 -20.501 -15.828 -9.582 1.00 0.00 C ATOM 247 CZ TYR A 19 -20.459 -15.784 -10.974 1.00 0.00 C ATOM 248 OH TYR A 19 -21.383 -16.433 -11.743 1.00 0.00 O ATOM 0 H TYR A 19 -15.683 -11.933 -8.329 1.00 0.00 H new ATOM 0 HA TYR A 19 -18.147 -11.794 -9.787 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -16.574 -13.827 -9.008 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -17.658 -13.817 -7.631 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -17.765 -13.790 -11.379 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -19.605 -15.130 -7.767 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -19.423 -15.043 -12.699 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -21.249 -16.422 -9.078 1.00 0.00 H new ATOM 0 HH TYR A 19 -22.017 -16.905 -11.164 1.00 0.00 H new ATOM 258 N ALA A 20 -18.455 -11.917 -6.509 1.00 0.00 N ATOM 259 CA ALA A 20 -19.094 -11.304 -5.349 1.00 0.00 C ATOM 260 C ALA A 20 -18.509 -9.916 -5.099 1.00 0.00 C ATOM 261 O ALA A 20 -18.974 -8.928 -5.667 1.00 0.00 O ATOM 262 CB ALA A 20 -18.936 -12.198 -4.125 1.00 0.00 C ATOM 0 H ALA A 20 -17.848 -12.706 -6.288 1.00 0.00 H new ATOM 0 HA ALA A 20 -20.160 -11.191 -5.547 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -19.417 -11.729 -3.267 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -19.401 -13.165 -4.318 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -17.876 -12.341 -3.913 1.00 0.00 H new ATOM 268 N ALA A 21 -17.379 -9.889 -4.400 1.00 0.00 N ATOM 269 CA ALA A 21 -16.538 -8.702 -4.335 1.00 0.00 C ATOM 270 C ALA A 21 -15.274 -8.997 -3.524 1.00 0.00 C ATOM 271 O ALA A 21 -15.358 -9.418 -2.372 1.00 0.00 O ATOM 272 CB ALA A 21 -17.309 -7.534 -3.730 1.00 0.00 C ATOM 0 H ALA A 21 -17.024 -10.683 -3.867 1.00 0.00 H new ATOM 0 HA ALA A 21 -16.243 -8.425 -5.347 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -16.665 -6.655 -3.689 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -18.182 -7.316 -4.346 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -17.632 -7.794 -2.722 1.00 0.00 H new ATOM 278 N GLU A 22 -14.137 -8.576 -4.066 1.00 0.00 N ATOM 279 CA GLU A 22 -12.918 -8.421 -3.274 1.00 0.00 C ATOM 280 C GLU A 22 -12.331 -7.024 -3.511 1.00 0.00 C ATOM 281 O GLU A 22 -11.114 -6.847 -3.457 1.00 0.00 O ATOM 282 CB GLU A 22 -11.943 -9.511 -3.685 1.00 0.00 C ATOM 283 CG GLU A 22 -12.534 -10.867 -3.968 1.00 0.00 C ATOM 284 CD GLU A 22 -12.115 -12.009 -3.086 1.00 0.00 C ATOM 285 OE1 GLU A 22 -10.879 -12.192 -3.113 1.00 0.00 O ATOM 286 OE2 GLU A 22 -12.896 -12.769 -2.540 1.00 0.00 O ATOM 0 H GLU A 22 -14.032 -8.335 -5.052 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.128 -8.517 -2.209 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -11.413 -9.177 -4.577 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -11.200 -9.620 -2.895 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.619 -10.779 -3.910 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.290 -11.131 -4.997 1.00 0.00 H new ATOM 293 N LYS A 23 -13.169 -6.140 -4.044 1.00 0.00 N ATOM 294 CA LYS A 23 -12.702 -4.941 -4.728 1.00 0.00 C ATOM 295 C LYS A 23 -12.883 -3.715 -3.818 1.00 0.00 C ATOM 296 O LYS A 23 -13.400 -3.855 -2.706 1.00 0.00 O ATOM 297 CB LYS A 23 -13.434 -4.702 -6.040 1.00 0.00 C ATOM 298 CG LYS A 23 -12.961 -3.475 -6.820 1.00 0.00 C ATOM 299 CD LYS A 23 -13.694 -2.203 -6.431 1.00 0.00 C ATOM 300 CE LYS A 23 -14.672 -1.726 -7.422 1.00 0.00 C ATOM 301 NZ LYS A 23 -16.036 -1.646 -6.841 1.00 0.00 N ATOM 0 H LYS A 23 -14.184 -6.234 -4.014 1.00 0.00 H new ATOM 0 HA LYS A 23 -11.647 -5.092 -4.956 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -13.319 -5.583 -6.671 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -14.499 -4.596 -5.832 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -11.893 -3.337 -6.655 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -13.098 -3.655 -7.886 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -14.209 -2.372 -5.485 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -12.960 -1.416 -6.258 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -14.372 -0.744 -7.788 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -14.679 -2.397 -8.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -16.702 -1.307 -7.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -16.330 -2.589 -6.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -16.033 -0.986 -6.037 1.00 0.00 H new ATOM 315 N VAL A 24 -12.149 -2.654 -4.141 1.00 0.00 N ATOM 316 CA VAL A 24 -11.639 -1.729 -3.104 1.00 0.00 C ATOM 317 C VAL A 24 -11.495 -0.339 -3.690 1.00 0.00 C ATOM 318 O VAL A 24 -11.543 -0.161 -4.912 1.00 0.00 O ATOM 319 CB VAL A 24 -10.375 -2.333 -2.478 1.00 0.00 C ATOM 320 CG1 VAL A 24 -9.109 -2.087 -3.287 1.00 0.00 C ATOM 321 CG2 VAL A 24 -10.190 -1.905 -1.033 1.00 0.00 C ATOM 0 H VAL A 24 -11.891 -2.406 -5.096 1.00 0.00 H new ATOM 0 HA VAL A 24 -12.338 -1.606 -2.277 1.00 0.00 H new ATOM 0 HB VAL A 24 -10.542 -3.410 -2.494 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -8.259 -2.544 -2.780 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -9.220 -2.526 -4.278 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -8.941 -1.014 -3.382 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -9.283 -2.357 -0.633 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -10.107 -0.819 -0.983 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -11.048 -2.231 -0.444 1.00 0.00 H new ATOM 331 N ILE A 25 -11.081 0.603 -2.845 1.00 0.00 N ATOM 332 CA ILE A 25 -10.988 2.000 -3.245 1.00 0.00 C ATOM 333 C ILE A 25 -9.798 2.673 -2.567 1.00 0.00 C ATOM 334 O ILE A 25 -9.536 2.445 -1.386 1.00 0.00 O ATOM 335 CB ILE A 25 -12.339 2.748 -2.932 1.00 0.00 C ATOM 336 CG1 ILE A 25 -12.390 4.067 -3.747 1.00 0.00 C ATOM 337 CG2 ILE A 25 -12.553 2.988 -1.423 1.00 0.00 C ATOM 338 CD1 ILE A 25 -13.523 4.125 -4.800 1.00 0.00 C ATOM 0 H ILE A 25 -10.805 0.421 -1.880 1.00 0.00 H new ATOM 0 HA ILE A 25 -10.822 2.051 -4.321 1.00 0.00 H new ATOM 0 HB ILE A 25 -13.166 2.108 -3.238 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -12.509 4.902 -3.057 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -11.434 4.205 -4.252 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -13.499 3.507 -1.268 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -12.574 2.031 -0.902 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -11.737 3.596 -1.032 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -13.485 5.081 -5.323 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -13.396 3.314 -5.517 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -14.487 4.022 -4.303 1.00 0.00 H new ATOM 350 N GLY A 26 -9.205 3.628 -3.275 1.00 0.00 N ATOM 351 CA GLY A 26 -8.225 4.531 -2.688 1.00 0.00 C ATOM 352 C GLY A 26 -7.932 5.689 -3.637 1.00 0.00 C ATOM 353 O GLY A 26 -7.627 5.480 -4.810 1.00 0.00 O ATOM 0 H GLY A 26 -9.389 3.796 -4.264 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -8.599 4.916 -1.739 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -7.305 3.988 -2.472 1.00 0.00 H new ATOM 357 N ALA A 27 -7.812 6.878 -3.054 1.00 0.00 N ATOM 358 CA ALA A 27 -7.519 8.081 -3.817 1.00 0.00 C ATOM 359 C ALA A 27 -8.632 8.356 -4.825 1.00 0.00 C ATOM 360 O ALA A 27 -9.601 9.048 -4.518 1.00 0.00 O ATOM 361 CB ALA A 27 -6.168 7.950 -4.516 1.00 0.00 C ATOM 0 H ALA A 27 -7.914 7.032 -2.051 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.466 8.927 -3.132 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.962 8.858 -5.083 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -5.386 7.802 -3.771 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.190 7.096 -5.193 1.00 0.00 H new ATOM 367 N GLY A 28 -8.550 7.674 -5.961 1.00 0.00 N ATOM 368 CA GLY A 28 -9.630 7.669 -6.938 1.00 0.00 C ATOM 369 C GLY A 28 -9.592 6.389 -7.767 1.00 0.00 C ATOM 370 O GLY A 28 -9.900 6.402 -8.958 1.00 0.00 O ATOM 0 H GLY A 28 -7.741 7.114 -6.229 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -10.590 7.751 -6.428 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -9.541 8.536 -7.592 1.00 0.00 H new ATOM 374 N LYS A 29 -9.066 5.332 -7.159 1.00 0.00 N ATOM 375 CA LYS A 29 -8.763 4.100 -7.875 1.00 0.00 C ATOM 376 C LYS A 29 -9.611 2.951 -7.337 1.00 0.00 C ATOM 377 O LYS A 29 -9.936 2.910 -6.152 1.00 0.00 O ATOM 378 CB LYS A 29 -7.285 3.723 -7.759 1.00 0.00 C ATOM 379 CG LYS A 29 -6.437 4.162 -8.954 1.00 0.00 C ATOM 380 CD LYS A 29 -6.580 5.639 -9.276 1.00 0.00 C ATOM 381 CE LYS A 29 -7.196 5.931 -10.580 1.00 0.00 C ATOM 382 NZ LYS A 29 -6.549 5.158 -11.671 1.00 0.00 N ATOM 0 H LYS A 29 -8.839 5.305 -6.165 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.994 4.276 -8.926 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.876 4.170 -6.853 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.204 2.642 -7.646 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.390 3.941 -8.749 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.721 3.577 -9.828 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.176 6.110 -8.495 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.593 6.100 -9.245 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.259 5.692 -10.544 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.116 6.997 -10.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -6.560 5.718 -12.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.566 4.944 -11.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.068 4.269 -11.822 1.00 0.00 H new ATOM 396 N SER A 30 -9.843 1.965 -8.195 1.00 0.00 N ATOM 397 CA SER A 30 -10.420 0.695 -7.772 1.00 0.00 C ATOM 398 C SER A 30 -9.376 -0.416 -7.866 1.00 0.00 C ATOM 399 O SER A 30 -8.410 -0.295 -8.623 1.00 0.00 O ATOM 400 CB SER A 30 -11.666 0.352 -8.577 1.00 0.00 C ATOM 401 OG SER A 30 -12.072 -0.988 -8.363 1.00 0.00 O ATOM 0 H SER A 30 -9.639 2.021 -9.193 1.00 0.00 H new ATOM 0 HA SER A 30 -10.729 0.791 -6.731 1.00 0.00 H new ATOM 0 HB2 SER A 30 -12.476 1.027 -8.300 1.00 0.00 H new ATOM 0 HB3 SER A 30 -11.469 0.508 -9.638 1.00 0.00 H new ATOM 0 HG SER A 30 -11.906 -1.514 -9.173 1.00 0.00 H new ATOM 407 N TRP A 31 -9.437 -1.334 -6.905 1.00 0.00 N ATOM 408 CA TRP A 31 -8.420 -2.358 -6.755 1.00 0.00 C ATOM 409 C TRP A 31 -9.049 -3.644 -6.193 1.00 0.00 C ATOM 410 O TRP A 31 -10.048 -3.567 -5.471 1.00 0.00 O ATOM 411 CB TRP A 31 -7.233 -1.899 -5.923 1.00 0.00 C ATOM 412 CG TRP A 31 -7.033 -0.423 -5.810 1.00 0.00 C ATOM 413 CD1 TRP A 31 -7.965 0.496 -5.383 1.00 0.00 C ATOM 414 CD2 TRP A 31 -5.765 0.253 -5.736 1.00 0.00 C ATOM 415 NE1 TRP A 31 -7.384 1.741 -5.293 1.00 0.00 N ATOM 416 CE2 TRP A 31 -6.035 1.611 -5.459 1.00 0.00 C ATOM 417 CE3 TRP A 31 -4.450 -0.162 -5.915 1.00 0.00 C ATOM 418 CZ2 TRP A 31 -5.029 2.564 -5.383 1.00 0.00 C ATOM 419 CZ3 TRP A 31 -3.446 0.779 -5.805 1.00 0.00 C ATOM 420 CH2 TRP A 31 -3.728 2.123 -5.573 1.00 0.00 C ATOM 0 H TRP A 31 -10.188 -1.385 -6.216 1.00 0.00 H new ATOM 0 HA TRP A 31 -8.017 -2.568 -7.746 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -7.342 -2.307 -4.918 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -6.329 -2.335 -6.348 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -8.997 0.274 -5.153 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -7.880 2.617 -5.129 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -4.220 -1.194 -6.134 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -5.249 3.603 -5.185 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -2.417 0.465 -5.901 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -2.917 2.836 -5.540 1.00 0.00 H new ATOM 431 N HIS A 32 -8.241 -4.700 -6.195 1.00 0.00 N ATOM 432 CA HIS A 32 -8.500 -5.882 -5.382 1.00 0.00 C ATOM 433 C HIS A 32 -7.917 -5.694 -3.982 1.00 0.00 C ATOM 434 O HIS A 32 -6.787 -5.230 -3.833 1.00 0.00 O ATOM 435 CB HIS A 32 -7.924 -7.187 -5.989 1.00 0.00 C ATOM 436 CG HIS A 32 -8.816 -7.774 -7.048 1.00 0.00 C ATOM 437 ND1 HIS A 32 -8.403 -8.006 -8.342 1.00 0.00 N ATOM 438 CD2 HIS A 32 -9.978 -8.461 -6.901 1.00 0.00 C ATOM 439 CE1 HIS A 32 -9.374 -8.633 -8.990 1.00 0.00 C ATOM 440 NE2 HIS A 32 -10.317 -8.960 -8.131 1.00 0.00 N ATOM 0 H HIS A 32 -7.392 -4.760 -6.758 1.00 0.00 H new ATOM 0 HA HIS A 32 -9.584 -5.989 -5.343 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -6.943 -6.982 -6.418 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -7.778 -7.919 -5.195 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -7.500 -7.740 -8.735 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -10.533 -8.590 -5.983 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -9.389 -8.842 -10.050 1.00 0.00 H new ATOM 448 N LYS A 33 -8.596 -6.286 -3.006 1.00 0.00 N ATOM 449 CA LYS A 33 -8.089 -6.360 -1.645 1.00 0.00 C ATOM 450 C LYS A 33 -6.768 -7.122 -1.608 1.00 0.00 C ATOM 451 O LYS A 33 -5.947 -6.913 -0.715 1.00 0.00 O ATOM 452 CB LYS A 33 -9.082 -7.044 -0.702 1.00 0.00 C ATOM 453 CG LYS A 33 -10.343 -6.224 -0.429 1.00 0.00 C ATOM 454 CD LYS A 33 -11.278 -6.883 0.568 1.00 0.00 C ATOM 455 CE LYS A 33 -11.237 -6.314 1.925 1.00 0.00 C ATOM 456 NZ LYS A 33 -10.963 -7.358 2.944 1.00 0.00 N ATOM 0 H LYS A 33 -9.507 -6.725 -3.136 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.939 -5.335 -1.307 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -9.371 -8.005 -1.129 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.584 -7.253 0.245 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -10.056 -5.241 -0.054 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -10.875 -6.064 -1.367 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -12.298 -6.811 0.190 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -11.034 -7.944 0.627 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -10.467 -5.544 1.975 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -12.188 -5.829 2.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -11.388 -7.078 3.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -11.373 -8.262 2.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -9.935 -7.467 3.062 1.00 0.00 H new ATOM 470 N SER A 34 -6.477 -7.796 -2.719 1.00 0.00 N ATOM 471 CA SER A 34 -5.241 -8.550 -2.855 1.00 0.00 C ATOM 472 C SER A 34 -4.231 -7.770 -3.691 1.00 0.00 C ATOM 473 O SER A 34 -3.023 -7.953 -3.555 1.00 0.00 O ATOM 474 CB SER A 34 -5.490 -9.933 -3.443 1.00 0.00 C ATOM 475 OG SER A 34 -6.707 -10.485 -2.972 1.00 0.00 O ATOM 0 H SER A 34 -7.084 -7.833 -3.538 1.00 0.00 H new ATOM 0 HA SER A 34 -4.824 -8.695 -1.858 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.515 -9.868 -4.531 1.00 0.00 H new ATOM 0 HB3 SER A 34 -4.664 -10.595 -3.182 1.00 0.00 H new ATOM 0 HG SER A 34 -6.839 -11.371 -3.368 1.00 0.00 H new ATOM 481 N CYS A 35 -4.752 -7.063 -4.691 1.00 0.00 N ATOM 482 CA CYS A 35 -3.924 -6.205 -5.529 1.00 0.00 C ATOM 483 C CYS A 35 -3.502 -4.957 -4.761 1.00 0.00 C ATOM 484 O CYS A 35 -2.628 -4.211 -5.196 1.00 0.00 O ATOM 485 CB CYS A 35 -4.642 -5.846 -6.829 1.00 0.00 C ATOM 486 SG CYS A 35 -4.649 -7.166 -8.065 1.00 0.00 S ATOM 0 H CYS A 35 -5.741 -7.068 -4.939 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.023 -6.755 -5.799 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -5.672 -5.575 -6.598 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.169 -4.963 -7.260 1.00 0.00 H new ATOM 0 HG CYS A 35 -5.455 -6.849 -9.034 1.00 0.00 H new ATOM 491 N PHE A 36 -4.214 -4.693 -3.671 1.00 0.00 N ATOM 492 CA PHE A 36 -3.908 -3.564 -2.806 1.00 0.00 C ATOM 493 C PHE A 36 -2.501 -3.708 -2.225 1.00 0.00 C ATOM 494 O PHE A 36 -2.301 -4.448 -1.259 1.00 0.00 O ATOM 495 CB PHE A 36 -4.913 -3.379 -1.641 1.00 0.00 C ATOM 496 CG PHE A 36 -5.154 -1.932 -1.318 1.00 0.00 C ATOM 497 CD1 PHE A 36 -4.126 -1.010 -1.122 1.00 0.00 C ATOM 498 CD2 PHE A 36 -6.482 -1.498 -1.285 1.00 0.00 C ATOM 499 CE1 PHE A 36 -4.418 0.333 -0.862 1.00 0.00 C ATOM 500 CE2 PHE A 36 -6.791 -0.167 -1.054 1.00 0.00 C ATOM 501 CZ PHE A 36 -5.757 0.760 -0.907 1.00 0.00 C ATOM 0 H PHE A 36 -5.012 -5.251 -3.366 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.980 -2.679 -3.439 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.859 -3.853 -1.902 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.535 -3.889 -0.754 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.097 -1.335 -1.171 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.279 -2.210 -1.442 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.627 1.031 -0.630 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.821 0.150 -0.988 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.987 1.812 -0.827 1.00 0.00 H new ATOM 511 N ARG A 37 -1.523 -3.239 -2.994 1.00 0.00 N ATOM 512 CA ARG A 37 -0.122 -3.533 -2.732 1.00 0.00 C ATOM 513 C ARG A 37 0.662 -2.234 -2.532 1.00 0.00 C ATOM 514 O ARG A 37 0.842 -1.465 -3.478 1.00 0.00 O ATOM 515 CB ARG A 37 0.513 -4.347 -3.865 1.00 0.00 C ATOM 516 CG ARG A 37 -0.208 -5.646 -4.195 1.00 0.00 C ATOM 517 CD ARG A 37 0.019 -6.058 -5.611 1.00 0.00 C ATOM 518 NE ARG A 37 -0.094 -4.938 -6.534 1.00 0.00 N ATOM 519 CZ ARG A 37 0.608 -4.849 -7.666 1.00 0.00 C ATOM 520 NH1 ARG A 37 1.315 -5.877 -8.127 1.00 0.00 N ATOM 521 NH2 ARG A 37 0.554 -3.725 -8.379 1.00 0.00 N ATOM 0 H ARG A 37 -1.680 -2.648 -3.811 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.080 -4.132 -1.823 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.549 -3.729 -4.762 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.544 -4.578 -3.595 1.00 0.00 H new ATOM 0 HG2 ARG A 37 0.138 -6.434 -3.527 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -1.277 -5.524 -4.018 1.00 0.00 H new ATOM 0 HD2 ARG A 37 1.009 -6.504 -5.704 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.704 -6.826 -5.884 1.00 0.00 H new ATOM 0 HE ARG A 37 -0.741 -4.184 -6.304 1.00 0.00 H new ATOM 0 HH11 ARG A 37 1.329 -6.758 -7.613 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.843 -5.784 -8.995 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -0.019 -2.945 -8.058 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.086 -3.645 -9.246 1.00 0.00 H new ATOM 535 N CYS A 38 1.375 -2.176 -1.411 1.00 0.00 N ATOM 536 CA CYS A 38 2.429 -1.196 -1.203 1.00 0.00 C ATOM 537 C CYS A 38 3.513 -1.340 -2.274 1.00 0.00 C ATOM 538 O CYS A 38 4.489 -2.068 -2.067 1.00 0.00 O ATOM 539 CB CYS A 38 3.024 -1.326 0.201 1.00 0.00 C ATOM 540 SG CYS A 38 4.037 0.082 0.710 1.00 0.00 S ATOM 0 H CYS A 38 1.236 -2.808 -0.623 1.00 0.00 H new ATOM 0 HA CYS A 38 1.994 -0.200 -1.290 1.00 0.00 H new ATOM 0 HB2 CYS A 38 2.212 -1.453 0.917 1.00 0.00 H new ATOM 0 HB3 CYS A 38 3.631 -2.230 0.244 1.00 0.00 H new ATOM 0 HG CYS A 38 4.005 0.194 2.005 1.00 0.00 H new ATOM 545 N ALA A 39 3.521 -0.373 -3.188 1.00 0.00 N ATOM 546 CA ALA A 39 4.592 -0.235 -4.161 1.00 0.00 C ATOM 547 C ALA A 39 5.917 0.066 -3.462 1.00 0.00 C ATOM 548 O ALA A 39 6.975 0.049 -4.092 1.00 0.00 O ATOM 549 CB ALA A 39 4.254 0.852 -5.176 1.00 0.00 C ATOM 0 H ALA A 39 2.788 0.331 -3.272 1.00 0.00 H new ATOM 0 HA ALA A 39 4.698 -1.179 -4.696 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.067 0.942 -5.897 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.334 0.589 -5.698 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.120 1.803 -4.660 1.00 0.00 H new ATOM 555 N LYS A 40 5.809 0.569 -2.236 1.00 0.00 N ATOM 556 CA LYS A 40 6.931 1.190 -1.550 1.00 0.00 C ATOM 557 C LYS A 40 7.880 0.127 -1.005 1.00 0.00 C ATOM 558 O LYS A 40 9.083 0.172 -1.267 1.00 0.00 O ATOM 559 CB LYS A 40 6.477 2.089 -0.400 1.00 0.00 C ATOM 560 CG LYS A 40 7.425 3.255 -0.112 1.00 0.00 C ATOM 561 CD LYS A 40 7.345 4.357 -1.152 1.00 0.00 C ATOM 562 CE LYS A 40 8.436 4.358 -2.138 1.00 0.00 C ATOM 563 NZ LYS A 40 8.401 5.577 -2.985 1.00 0.00 N ATOM 0 H LYS A 40 4.945 0.557 -1.695 1.00 0.00 H new ATOM 0 HA LYS A 40 7.446 1.808 -2.286 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.488 2.486 -0.631 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.375 1.485 0.502 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.193 3.671 0.868 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.448 2.881 -0.065 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.396 4.269 -1.682 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.336 5.319 -0.640 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.394 4.299 -1.622 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.359 3.473 -2.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.183 5.547 -3.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.496 5.619 -3.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.499 6.420 -2.384 1.00 0.00 H new ATOM 577 N CYS A 41 7.378 -0.619 -0.018 1.00 0.00 N ATOM 578 CA CYS A 41 8.176 -1.649 0.633 1.00 0.00 C ATOM 579 C CYS A 41 8.043 -2.976 -0.102 1.00 0.00 C ATOM 580 O CYS A 41 8.958 -3.796 -0.101 1.00 0.00 O ATOM 581 CB CYS A 41 7.887 -1.749 2.118 1.00 0.00 C ATOM 582 SG CYS A 41 6.216 -2.233 2.588 1.00 0.00 S ATOM 0 H CYS A 41 6.428 -0.527 0.343 1.00 0.00 H new ATOM 0 HA CYS A 41 9.224 -1.357 0.570 1.00 0.00 H new ATOM 0 HB2 CYS A 41 8.584 -2.466 2.552 1.00 0.00 H new ATOM 0 HB3 CYS A 41 8.101 -0.781 2.572 1.00 0.00 H new ATOM 0 HG CYS A 41 5.356 -1.486 1.962 1.00 0.00 H new ATOM 587 N GLY A 42 6.906 -3.150 -0.766 1.00 0.00 N ATOM 588 CA GLY A 42 6.692 -4.288 -1.646 1.00 0.00 C ATOM 589 C GLY A 42 5.689 -5.259 -1.028 1.00 0.00 C ATOM 590 O GLY A 42 5.754 -6.463 -1.261 1.00 0.00 O ATOM 0 H GLY A 42 6.113 -2.510 -0.709 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.326 -3.944 -2.613 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.638 -4.799 -1.827 1.00 0.00 H new ATOM 594 N LYS A 43 4.876 -4.732 -0.118 1.00 0.00 N ATOM 595 CA LYS A 43 4.033 -5.559 0.735 1.00 0.00 C ATOM 596 C LYS A 43 2.565 -5.398 0.349 1.00 0.00 C ATOM 597 O LYS A 43 1.934 -4.396 0.682 1.00 0.00 O ATOM 598 CB LYS A 43 4.200 -5.207 2.214 1.00 0.00 C ATOM 599 CG LYS A 43 3.481 -6.166 3.164 1.00 0.00 C ATOM 600 CD LYS A 43 3.986 -7.593 3.063 1.00 0.00 C ATOM 601 CE LYS A 43 5.409 -7.770 3.397 1.00 0.00 C ATOM 602 NZ LYS A 43 5.695 -7.354 4.793 1.00 0.00 N ATOM 0 H LYS A 43 4.784 -3.730 0.047 1.00 0.00 H new ATOM 0 HA LYS A 43 4.346 -6.593 0.588 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.262 -5.198 2.458 1.00 0.00 H new ATOM 0 HB3 LYS A 43 3.826 -4.197 2.381 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.605 -5.815 4.188 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.413 -6.149 2.948 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.391 -8.222 3.725 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.818 -7.952 2.047 1.00 0.00 H new ATOM 0 HE2 LYS A 43 5.688 -8.815 3.263 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.021 -7.186 2.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.665 -7.631 5.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.597 -6.322 4.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.023 -7.817 5.438 1.00 0.00 H new ATOM 616 N SER A 44 2.004 -6.460 -0.217 1.00 0.00 N ATOM 617 CA SER A 44 0.562 -6.568 -0.397 1.00 0.00 C ATOM 618 C SER A 44 -0.138 -6.634 0.956 1.00 0.00 C ATOM 619 O SER A 44 0.167 -7.496 1.780 1.00 0.00 O ATOM 620 CB SER A 44 0.195 -7.762 -1.269 1.00 0.00 C ATOM 621 OG SER A 44 1.260 -8.122 -2.129 1.00 0.00 O ATOM 0 H SER A 44 2.530 -7.263 -0.561 1.00 0.00 H new ATOM 0 HA SER A 44 0.218 -5.674 -0.918 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.066 -8.610 -0.636 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.688 -7.523 -1.862 1.00 0.00 H new ATOM 0 HG SER A 44 0.994 -8.892 -2.674 1.00 0.00 H new ATOM 627 N LEU A 45 -0.890 -5.575 1.256 1.00 0.00 N ATOM 628 CA LEU A 45 -1.669 -5.522 2.484 1.00 0.00 C ATOM 629 C LEU A 45 -2.959 -4.732 2.263 1.00 0.00 C ATOM 630 O LEU A 45 -3.346 -4.477 1.121 1.00 0.00 O ATOM 631 CB LEU A 45 -0.777 -4.953 3.595 1.00 0.00 C ATOM 632 CG LEU A 45 0.089 -3.755 3.248 1.00 0.00 C ATOM 633 CD1 LEU A 45 -0.765 -2.531 2.943 1.00 0.00 C ATOM 634 CD2 LEU A 45 1.017 -3.468 4.423 1.00 0.00 C ATOM 0 H LEU A 45 -0.973 -4.748 0.666 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.988 -6.517 2.793 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.417 -4.675 4.432 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.123 -5.752 3.945 1.00 0.00 H new ATOM 0 HG LEU A 45 0.672 -3.981 2.356 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.119 -1.688 2.698 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.419 -2.745 2.097 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.370 -2.283 3.815 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.646 -2.609 4.189 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.423 -3.251 5.311 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.646 -4.338 4.611 1.00 0.00 H new ATOM 646 N GLU A 46 -3.769 -4.694 3.323 1.00 0.00 N ATOM 647 CA GLU A 46 -5.096 -4.100 3.256 1.00 0.00 C ATOM 648 C GLU A 46 -5.709 -4.032 4.659 1.00 0.00 C ATOM 649 O GLU A 46 -6.645 -3.268 4.889 1.00 0.00 O ATOM 650 CB GLU A 46 -5.949 -4.947 2.320 1.00 0.00 C ATOM 651 CG GLU A 46 -5.956 -6.427 2.597 1.00 0.00 C ATOM 652 CD GLU A 46 -7.285 -7.087 2.838 1.00 0.00 C ATOM 653 OE1 GLU A 46 -7.962 -6.473 3.691 1.00 0.00 O ATOM 654 OE2 GLU A 46 -7.724 -7.998 2.158 1.00 0.00 O ATOM 0 H GLU A 46 -3.524 -5.070 4.239 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.043 -3.081 2.872 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -6.975 -4.583 2.366 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.600 -4.789 1.299 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.481 -6.928 1.754 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.329 -6.608 3.470 1.00 0.00 H new ATOM 661 N SER A 47 -5.357 -5.020 5.475 1.00 0.00 N ATOM 662 CA SER A 47 -6.072 -5.294 6.714 1.00 0.00 C ATOM 663 C SER A 47 -6.011 -4.089 7.644 1.00 0.00 C ATOM 664 O SER A 47 -7.001 -3.387 7.840 1.00 0.00 O ATOM 665 CB SER A 47 -5.542 -6.548 7.398 1.00 0.00 C ATOM 666 OG SER A 47 -6.354 -7.673 7.119 1.00 0.00 O ATOM 0 H SER A 47 -4.574 -5.649 5.297 1.00 0.00 H new ATOM 0 HA SER A 47 -7.117 -5.480 6.466 1.00 0.00 H new ATOM 0 HB2 SER A 47 -4.522 -6.742 7.065 1.00 0.00 H new ATOM 0 HB3 SER A 47 -5.500 -6.386 8.475 1.00 0.00 H new ATOM 0 HG SER A 47 -5.987 -8.462 7.570 1.00 0.00 H new ATOM 672 N THR A 48 -4.805 -3.804 8.128 1.00 0.00 N ATOM 673 CA THR A 48 -4.608 -2.765 9.128 1.00 0.00 C ATOM 674 C THR A 48 -5.042 -1.408 8.577 1.00 0.00 C ATOM 675 O THR A 48 -6.182 -0.987 8.780 1.00 0.00 O ATOM 676 CB THR A 48 -3.104 -2.709 9.623 1.00 0.00 C ATOM 677 OG1 THR A 48 -2.713 -4.094 9.883 1.00 0.00 O ATOM 678 CG2 THR A 48 -2.886 -1.813 10.841 1.00 0.00 C ATOM 0 H THR A 48 -3.950 -4.280 7.842 1.00 0.00 H new ATOM 0 HA THR A 48 -5.229 -3.011 9.990 1.00 0.00 H new ATOM 0 HB THR A 48 -2.480 -2.251 8.856 1.00 0.00 H new ATOM 0 HG1 THR A 48 -1.784 -4.119 10.193 1.00 0.00 H new ATOM 0 HG21 THR A 48 -1.832 -1.827 11.119 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.184 -0.793 10.600 1.00 0.00 H new ATOM 0 HG23 THR A 48 -3.486 -2.179 11.674 1.00 0.00 H new ATOM 686 N THR A 49 -4.206 -0.853 7.706 1.00 0.00 N ATOM 687 CA THR A 49 -4.602 0.259 6.852 1.00 0.00 C ATOM 688 C THR A 49 -3.449 0.664 5.939 1.00 0.00 C ATOM 689 O THR A 49 -2.487 -0.081 5.770 1.00 0.00 O ATOM 690 CB THR A 49 -5.104 1.499 7.703 1.00 0.00 C ATOM 691 OG1 THR A 49 -5.667 2.446 6.741 1.00 0.00 O ATOM 692 CG2 THR A 49 -4.018 2.135 8.569 1.00 0.00 C ATOM 0 H THR A 49 -3.242 -1.159 7.573 1.00 0.00 H new ATOM 0 HA THR A 49 -5.437 -0.075 6.236 1.00 0.00 H new ATOM 0 HB THR A 49 -5.848 1.173 8.430 1.00 0.00 H new ATOM 0 HG1 THR A 49 -5.243 3.322 6.858 1.00 0.00 H new ATOM 0 HG21 THR A 49 -4.438 2.976 9.121 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.634 1.396 9.272 1.00 0.00 H new ATOM 0 HG23 THR A 49 -3.206 2.488 7.933 1.00 0.00 H new ATOM 700 N LEU A 50 -3.624 1.798 5.269 1.00 0.00 N ATOM 701 CA LEU A 50 -2.731 2.202 4.192 1.00 0.00 C ATOM 702 C LEU A 50 -2.999 3.654 3.800 1.00 0.00 C ATOM 703 O LEU A 50 -3.619 4.403 4.554 1.00 0.00 O ATOM 704 CB LEU A 50 -2.903 1.206 3.035 1.00 0.00 C ATOM 705 CG LEU A 50 -4.310 0.703 2.763 1.00 0.00 C ATOM 706 CD1 LEU A 50 -5.074 1.668 1.869 1.00 0.00 C ATOM 707 CD2 LEU A 50 -4.218 -0.667 2.099 1.00 0.00 C ATOM 0 H LEU A 50 -4.381 2.456 5.455 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.687 2.173 4.505 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.529 1.676 2.125 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.267 0.343 3.233 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.851 0.628 3.706 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.078 1.282 1.691 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.140 2.641 2.356 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.552 1.774 0.918 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.222 -1.042 1.897 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.668 -0.581 1.162 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.699 -1.359 2.762 1.00 0.00 H new ATOM 719 N ALA A 51 -2.364 4.073 2.711 1.00 0.00 N ATOM 720 CA ALA A 51 -2.294 5.485 2.354 1.00 0.00 C ATOM 721 C ALA A 51 -2.278 5.649 0.838 1.00 0.00 C ATOM 722 O ALA A 51 -1.222 5.766 0.221 1.00 0.00 O ATOM 723 CB ALA A 51 -1.068 6.131 2.992 1.00 0.00 C ATOM 0 H ALA A 51 -1.888 3.451 2.057 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.180 5.991 2.737 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.028 7.185 2.717 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.132 6.041 4.076 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.167 5.629 2.639 1.00 0.00 H new ATOM 729 N ASP A 52 -3.468 5.615 0.248 1.00 0.00 N ATOM 730 CA ASP A 52 -3.640 5.967 -1.153 1.00 0.00 C ATOM 731 C ASP A 52 -3.422 7.465 -1.355 1.00 0.00 C ATOM 732 O ASP A 52 -3.866 8.278 -0.547 1.00 0.00 O ATOM 733 CB ASP A 52 -4.965 5.449 -1.707 1.00 0.00 C ATOM 734 CG ASP A 52 -6.175 5.985 -0.965 1.00 0.00 C ATOM 735 OD1 ASP A 52 -6.390 7.206 -0.901 1.00 0.00 O ATOM 736 OD2 ASP A 52 -6.849 5.146 -0.328 1.00 0.00 O ATOM 0 H ASP A 52 -4.330 5.346 0.722 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.875 5.463 -1.743 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.042 5.722 -2.759 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.970 4.360 -1.659 1.00 0.00 H new ATOM 741 N LYS A 53 -2.891 7.809 -2.524 1.00 0.00 N ATOM 742 CA LYS A 53 -2.824 9.196 -2.963 1.00 0.00 C ATOM 743 C LYS A 53 -2.344 9.274 -4.408 1.00 0.00 C ATOM 744 O LYS A 53 -1.673 8.367 -4.900 1.00 0.00 O ATOM 745 CB LYS A 53 -1.889 10.028 -2.082 1.00 0.00 C ATOM 746 CG LYS A 53 -0.436 9.553 -2.099 1.00 0.00 C ATOM 747 CD LYS A 53 0.454 10.390 -2.999 1.00 0.00 C ATOM 748 CE LYS A 53 1.755 10.756 -2.415 1.00 0.00 C ATOM 749 NZ LYS A 53 2.812 9.784 -2.790 1.00 0.00 N ATOM 0 H LYS A 53 -2.499 7.141 -3.187 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.831 9.605 -2.882 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.925 11.067 -2.410 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.256 10.005 -1.056 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.041 9.577 -1.084 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.403 8.515 -2.430 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.629 9.842 -3.925 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.079 11.303 -3.265 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.039 11.753 -2.753 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.668 10.800 -1.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.715 10.071 -2.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.551 8.838 -2.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.911 9.761 -3.825 1.00 0.00 H new ATOM 763 N ASP A 54 -2.815 10.299 -5.110 1.00 0.00 N ATOM 764 CA ASP A 54 -2.618 10.405 -6.548 1.00 0.00 C ATOM 765 C ASP A 54 -3.269 9.225 -7.264 1.00 0.00 C ATOM 766 O ASP A 54 -4.474 9.216 -7.500 1.00 0.00 O ATOM 767 CB ASP A 54 -1.147 10.618 -6.902 1.00 0.00 C ATOM 768 CG ASP A 54 -0.860 11.998 -7.464 1.00 0.00 C ATOM 769 OD1 ASP A 54 -1.689 12.440 -8.290 1.00 0.00 O ATOM 770 OD2 ASP A 54 0.211 12.572 -7.214 1.00 0.00 O ATOM 0 H ASP A 54 -3.339 11.073 -4.701 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.125 11.299 -6.911 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.539 10.463 -6.010 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.843 9.866 -7.630 1.00 0.00 H new ATOM 775 N GLY A 55 -2.452 8.221 -7.563 1.00 0.00 N ATOM 776 CA GLY A 55 -2.948 6.968 -8.117 1.00 0.00 C ATOM 777 C GLY A 55 -2.036 5.813 -7.721 1.00 0.00 C ATOM 778 O GLY A 55 -2.001 4.778 -8.382 1.00 0.00 O ATOM 0 H GLY A 55 -1.441 8.251 -7.430 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.960 6.780 -7.758 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.003 7.040 -9.203 1.00 0.00 H new ATOM 782 N GLU A 56 -1.312 6.008 -6.624 1.00 0.00 N ATOM 783 CA GLU A 56 -0.541 4.931 -6.013 1.00 0.00 C ATOM 784 C GLU A 56 -0.499 5.118 -4.492 1.00 0.00 C ATOM 785 O GLU A 56 -1.185 5.993 -3.958 1.00 0.00 O ATOM 786 CB GLU A 56 0.854 4.948 -6.618 1.00 0.00 C ATOM 787 CG GLU A 56 1.491 6.305 -6.764 1.00 0.00 C ATOM 788 CD GLU A 56 1.980 6.702 -8.129 1.00 0.00 C ATOM 789 OE1 GLU A 56 2.728 6.020 -8.807 1.00 0.00 O ATOM 790 OE2 GLU A 56 1.402 7.725 -8.553 1.00 0.00 O ATOM 0 H GLU A 56 -1.243 6.903 -6.139 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.003 3.963 -6.208 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.504 4.327 -6.001 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.808 4.482 -7.602 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.768 7.052 -6.436 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.336 6.355 -6.077 1.00 0.00 H new ATOM 797 N ILE A 57 0.068 4.127 -3.812 1.00 0.00 N ATOM 798 CA ILE A 57 -0.200 3.907 -2.394 1.00 0.00 C ATOM 799 C ILE A 57 1.081 3.486 -1.674 1.00 0.00 C ATOM 800 O ILE A 57 1.884 2.729 -2.222 1.00 0.00 O ATOM 801 CB ILE A 57 -1.344 2.838 -2.222 1.00 0.00 C ATOM 802 CG1 ILE A 57 -0.851 1.472 -2.770 1.00 0.00 C ATOM 803 CG2 ILE A 57 -2.673 3.276 -2.872 1.00 0.00 C ATOM 804 CD1 ILE A 57 -1.838 0.300 -2.551 1.00 0.00 C ATOM 0 H ILE A 57 0.720 3.459 -4.223 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.542 4.837 -1.941 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.564 2.739 -1.159 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.656 1.572 -3.838 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.098 1.225 -2.295 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.424 2.501 -2.722 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.013 4.205 -2.414 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.521 3.433 -3.940 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -1.414 -0.615 -2.964 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.015 0.168 -1.484 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.781 0.520 -3.051 1.00 0.00 H new ATOM 816 N TYR A 58 1.142 3.791 -0.381 1.00 0.00 N ATOM 817 CA TYR A 58 2.025 3.073 0.540 1.00 0.00 C ATOM 818 C TYR A 58 1.260 2.718 1.815 1.00 0.00 C ATOM 819 O TYR A 58 0.061 2.988 1.919 1.00 0.00 O ATOM 820 CB TYR A 58 3.283 3.896 0.857 1.00 0.00 C ATOM 821 CG TYR A 58 3.013 5.336 1.232 1.00 0.00 C ATOM 822 CD1 TYR A 58 2.559 6.240 0.272 1.00 0.00 C ATOM 823 CD2 TYR A 58 3.089 5.769 2.559 1.00 0.00 C ATOM 824 CE1 TYR A 58 2.257 7.557 0.603 1.00 0.00 C ATOM 825 CE2 TYR A 58 2.796 7.086 2.906 1.00 0.00 C ATOM 826 CZ TYR A 58 2.357 7.972 1.925 1.00 0.00 C ATOM 827 OH TYR A 58 1.983 9.252 2.225 1.00 0.00 O ATOM 0 H TYR A 58 0.591 4.530 0.055 1.00 0.00 H new ATOM 0 HA TYR A 58 2.356 2.151 0.062 1.00 0.00 H new ATOM 0 HB2 TYR A 58 3.820 3.415 1.675 1.00 0.00 H new ATOM 0 HB3 TYR A 58 3.942 3.877 -0.011 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.439 5.911 -0.750 1.00 0.00 H new ATOM 0 HD2 TYR A 58 3.380 5.070 3.329 1.00 0.00 H new ATOM 0 HE1 TYR A 58 1.947 8.252 -0.163 1.00 0.00 H new ATOM 0 HE2 TYR A 58 2.908 7.417 3.928 1.00 0.00 H new ATOM 0 HH TYR A 58 2.102 9.411 3.185 1.00 0.00 H new ATOM 837 N CYS A 59 1.908 1.962 2.701 1.00 0.00 N ATOM 838 CA CYS A 59 1.171 1.075 3.614 1.00 0.00 C ATOM 839 C CYS A 59 1.177 1.628 5.025 1.00 0.00 C ATOM 840 O CYS A 59 2.008 2.467 5.378 1.00 0.00 O ATOM 841 CB CYS A 59 1.592 -0.365 3.470 1.00 0.00 C ATOM 842 SG CYS A 59 3.152 -0.903 4.165 1.00 0.00 S ATOM 0 H CYS A 59 2.922 1.942 2.809 1.00 0.00 H new ATOM 0 HA CYS A 59 0.120 1.058 3.326 1.00 0.00 H new ATOM 0 HB2 CYS A 59 0.808 -0.980 3.912 1.00 0.00 H new ATOM 0 HB3 CYS A 59 1.613 -0.594 2.404 1.00 0.00 H new ATOM 0 HG CYS A 59 4.061 -0.002 3.940 1.00 0.00 H new ATOM 847 N LYS A 60 0.217 1.176 5.831 1.00 0.00 N ATOM 848 CA LYS A 60 0.245 1.434 7.267 1.00 0.00 C ATOM 849 C LYS A 60 1.338 0.588 7.926 1.00 0.00 C ATOM 850 O LYS A 60 1.933 1.012 8.919 1.00 0.00 O ATOM 851 CB LYS A 60 -1.094 1.118 7.931 1.00 0.00 C ATOM 852 CG LYS A 60 -1.140 1.449 9.425 1.00 0.00 C ATOM 853 CD LYS A 60 -1.348 2.928 9.698 1.00 0.00 C ATOM 854 CE LYS A 60 -2.218 3.229 10.846 1.00 0.00 C ATOM 855 NZ LYS A 60 -2.883 4.548 10.692 1.00 0.00 N ATOM 0 H LYS A 60 -0.586 0.632 5.514 1.00 0.00 H new ATOM 0 HA LYS A 60 0.451 2.496 7.402 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.881 1.674 7.421 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.314 0.059 7.797 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.945 0.882 9.893 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.210 1.126 9.892 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -0.376 3.392 9.866 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.773 3.391 8.807 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -2.973 2.449 10.947 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.628 3.222 11.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -2.639 5.156 11.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.562 4.998 9.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -3.914 4.415 10.657 1.00 0.00 H new ATOM 869 N GLY A 61 1.810 -0.398 7.169 1.00 0.00 N ATOM 870 CA GLY A 61 3.023 -1.126 7.502 1.00 0.00 C ATOM 871 C GLY A 61 4.241 -0.216 7.455 1.00 0.00 C ATOM 872 O GLY A 61 5.326 -0.583 7.908 1.00 0.00 O ATOM 0 H GLY A 61 1.361 -0.712 6.309 1.00 0.00 H new ATOM 0 HA2 GLY A 61 2.928 -1.560 8.497 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.157 -1.953 6.805 1.00 0.00 H new ATOM 876 N CYS A 62 4.049 0.991 6.928 1.00 0.00 N ATOM 877 CA CYS A 62 5.178 1.824 6.508 1.00 0.00 C ATOM 878 C CYS A 62 5.209 3.099 7.363 1.00 0.00 C ATOM 879 O CYS A 62 6.157 3.314 8.116 1.00 0.00 O ATOM 880 CB CYS A 62 5.087 2.162 5.026 1.00 0.00 C ATOM 881 SG CYS A 62 6.175 1.206 3.945 1.00 0.00 S ATOM 0 H CYS A 62 3.132 1.413 6.782 1.00 0.00 H new ATOM 0 HA CYS A 62 6.105 1.271 6.656 1.00 0.00 H new ATOM 0 HB2 CYS A 62 4.058 2.015 4.700 1.00 0.00 H new ATOM 0 HB3 CYS A 62 5.314 3.220 4.897 1.00 0.00 H new ATOM 0 HG CYS A 62 6.003 1.584 2.713 1.00 0.00 H new ATOM 886 N TYR A 63 4.041 3.726 7.467 1.00 0.00 N ATOM 887 CA TYR A 63 3.796 4.750 8.472 1.00 0.00 C ATOM 888 C TYR A 63 3.969 4.167 9.875 1.00 0.00 C ATOM 889 O TYR A 63 4.311 4.887 10.813 1.00 0.00 O ATOM 890 CB TYR A 63 2.391 5.366 8.305 1.00 0.00 C ATOM 891 CG TYR A 63 2.162 6.621 9.114 1.00 0.00 C ATOM 892 CD1 TYR A 63 1.725 6.564 10.441 1.00 0.00 C ATOM 893 CD2 TYR A 63 2.422 7.875 8.561 1.00 0.00 C ATOM 894 CE1 TYR A 63 1.517 7.725 11.183 1.00 0.00 C ATOM 895 CE2 TYR A 63 2.211 9.043 9.287 1.00 0.00 C ATOM 896 CZ TYR A 63 1.724 8.967 10.584 1.00 0.00 C ATOM 897 OH TYR A 63 1.480 10.136 11.248 1.00 0.00 O ATOM 0 H TYR A 63 3.243 3.539 6.860 1.00 0.00 H new ATOM 0 HA TYR A 63 4.527 5.547 8.334 1.00 0.00 H new ATOM 0 HB2 TYR A 63 2.229 5.593 7.251 1.00 0.00 H new ATOM 0 HB3 TYR A 63 1.645 4.623 8.589 1.00 0.00 H new ATOM 0 HD1 TYR A 63 1.545 5.603 10.899 1.00 0.00 H new ATOM 0 HD2 TYR A 63 2.794 7.941 7.549 1.00 0.00 H new ATOM 0 HE1 TYR A 63 1.198 7.663 12.213 1.00 0.00 H new ATOM 0 HE2 TYR A 63 2.425 10.004 8.843 1.00 0.00 H new ATOM 0 HH TYR A 63 1.686 10.894 10.662 1.00 0.00 H new ATOM 907 N ALA A 64 4.016 2.838 9.922 1.00 0.00 N ATOM 908 CA ALA A 64 4.318 2.121 11.151 1.00 0.00 C ATOM 909 C ALA A 64 5.819 1.883 11.276 1.00 0.00 C ATOM 910 O ALA A 64 6.481 2.437 12.150 1.00 0.00 O ATOM 911 CB ALA A 64 3.550 0.803 11.199 1.00 0.00 C ATOM 0 H ALA A 64 3.847 2.236 9.116 1.00 0.00 H new ATOM 0 HA ALA A 64 4.002 2.730 11.997 1.00 0.00 H new ATOM 0 HB1 ALA A 64 3.786 0.278 12.124 1.00 0.00 H new ATOM 0 HB2 ALA A 64 2.479 1.004 11.159 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.835 0.185 10.348 1.00 0.00 H new ATOM 917 N LYS A 65 6.353 1.079 10.361 1.00 0.00 N ATOM 918 CA LYS A 65 7.686 0.511 10.531 1.00 0.00 C ATOM 919 C LYS A 65 8.733 1.617 10.615 1.00 0.00 C ATOM 920 O LYS A 65 9.811 1.423 11.174 1.00 0.00 O ATOM 921 CB LYS A 65 8.051 -0.433 9.384 1.00 0.00 C ATOM 922 CG LYS A 65 7.904 -1.915 9.730 1.00 0.00 C ATOM 923 CD LYS A 65 7.435 -2.759 8.560 1.00 0.00 C ATOM 924 CE LYS A 65 8.269 -2.659 7.352 1.00 0.00 C ATOM 925 NZ LYS A 65 7.676 -3.414 6.219 1.00 0.00 N ATOM 0 H LYS A 65 5.884 0.807 9.497 1.00 0.00 H new ATOM 0 HA LYS A 65 7.673 -0.059 11.460 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.419 -0.206 8.525 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.081 -0.241 9.082 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.862 -2.296 10.083 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.197 -2.021 10.552 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.399 -3.802 8.874 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.416 -2.468 8.306 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.383 -1.612 7.073 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.267 -3.043 7.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.288 -3.323 5.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.590 -4.418 6.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.734 -3.031 6.002 1.00 0.00 H new ATOM 939 N ASN A 66 8.337 2.811 10.188 1.00 0.00 N ATOM 940 CA ASN A 66 9.108 4.020 10.449 1.00 0.00 C ATOM 941 C ASN A 66 8.699 4.629 11.788 1.00 0.00 C ATOM 942 O ASN A 66 9.548 5.100 12.546 1.00 0.00 O ATOM 943 CB ASN A 66 9.046 4.993 9.275 1.00 0.00 C ATOM 944 CG ASN A 66 10.366 5.132 8.540 1.00 0.00 C ATOM 945 OD1 ASN A 66 11.467 5.090 9.288 1.00 0.00 O flip ATOM 946 ND2 ASN A 66 10.395 5.219 7.303 1.00 0.00 N flip ATOM 0 H ASN A 66 7.481 2.967 9.656 1.00 0.00 H new ATOM 0 HA ASN A 66 10.163 3.759 10.539 1.00 0.00 H new ATOM 0 HB2 ASN A 66 8.282 4.658 8.574 1.00 0.00 H new ATOM 0 HB3 ASN A 66 8.736 5.972 9.640 1.00 0.00 H new ATOM 0 HD21 ASN A 66 9.524 5.248 6.773 1.00 0.00 H new ATOM 0 HD22 ASN A 66 11.290 5.262 6.816 1.00 0.00 H new