USER MOD reduce.3.24.130724 H: found=0, std=0, add=417, rem=0, adj=19 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= -0.0501 USER MOD Set 1.2: A 41 CYS SG : rot -44:sc= 0.642 USER MOD Set 1.3: A 59 CYS SG : rot -38:sc= -1.66! USER MOD Set 1.4: A 62 CYS SG : rot 180:sc= 0.45 USER MOD Set 2.1: A 11 CYS SG : rot 154:sc= 0.0569 USER MOD Set 2.2: A 14 CYS SG : rot -52:sc= -0.275 USER MOD Set 2.3: A 32 HIS : no HD1:sc= -11.5! C(o=-12!,f=-18!) USER MOD Set 2.4: A 35 CYS SG : rot 132:sc= -0.37 USER MOD Single : A 16 GLN : amide:sc=-0.000809 X(o=-0.00081,f=-0.00081) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -108:sc= 0.658 (180deg=-0.452) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 42:sc= 0.656 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -171:sc=-0.00204 (180deg=-0.0781) 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 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.363 USER MOD Single : A 49 THR OG1 : rot -160:sc= -1.18 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+ -166:sc= 0 (180deg=-0.157) 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 : amide:sc= 0.554 K(o=0.55,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 122 N GLY A 10 -15.024 -4.459 -9.746 1.00 0.00 N ATOM 123 CA GLY A 10 -13.996 -5.018 -10.622 1.00 0.00 C ATOM 124 C GLY A 10 -12.688 -4.248 -10.471 1.00 0.00 C ATOM 125 O GLY A 10 -12.557 -3.398 -9.589 1.00 0.00 O ATOM 0 HA2 GLY A 10 -13.836 -6.069 -10.380 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -14.331 -4.977 -11.658 1.00 0.00 H new ATOM 129 N CYS A 11 -11.678 -4.666 -11.230 1.00 0.00 N ATOM 130 CA CYS A 11 -10.291 -4.337 -10.912 1.00 0.00 C ATOM 131 C CYS A 11 -9.595 -3.769 -12.172 1.00 0.00 C ATOM 132 O CYS A 11 -9.016 -4.532 -12.969 1.00 0.00 O ATOM 133 CB CYS A 11 -9.543 -5.560 -10.395 1.00 0.00 C ATOM 134 SG CYS A 11 -8.032 -5.182 -9.474 1.00 0.00 S ATOM 0 H CYS A 11 -11.794 -5.233 -12.070 1.00 0.00 H new ATOM 0 HA CYS A 11 -10.281 -3.585 -10.123 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -10.211 -6.134 -9.753 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -9.288 -6.198 -11.241 1.00 0.00 H new ATOM 0 HG CYS A 11 -7.774 -6.151 -8.646 1.00 0.00 H new ATOM 139 N PRO A 12 -9.328 -2.447 -12.116 1.00 0.00 N ATOM 140 CA PRO A 12 -8.408 -1.768 -13.062 1.00 0.00 C ATOM 141 C PRO A 12 -6.994 -2.347 -13.062 1.00 0.00 C ATOM 142 O PRO A 12 -6.167 -1.978 -13.894 1.00 0.00 O ATOM 143 CB PRO A 12 -8.440 -0.287 -12.707 1.00 0.00 C ATOM 144 CG PRO A 12 -9.186 -0.121 -11.414 1.00 0.00 C ATOM 145 CD PRO A 12 -9.923 -1.435 -11.195 1.00 0.00 C ATOM 0 HA PRO A 12 -8.743 -1.928 -14.087 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -7.426 0.101 -12.611 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -8.926 0.282 -13.500 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -8.502 0.087 -10.591 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -9.883 0.715 -11.468 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -9.828 -1.759 -10.158 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -10.988 -1.315 -11.395 1.00 0.00 H new ATOM 153 N ARG A 13 -6.677 -3.060 -11.986 1.00 0.00 N ATOM 154 CA ARG A 13 -5.318 -3.505 -11.724 1.00 0.00 C ATOM 155 C ARG A 13 -5.000 -4.755 -12.542 1.00 0.00 C ATOM 156 O ARG A 13 -4.100 -4.743 -13.380 1.00 0.00 O ATOM 157 CB ARG A 13 -5.084 -3.787 -10.235 1.00 0.00 C ATOM 158 CG ARG A 13 -3.647 -3.589 -9.770 1.00 0.00 C ATOM 159 CD ARG A 13 -3.168 -2.203 -10.035 1.00 0.00 C ATOM 160 NE ARG A 13 -1.794 -2.005 -9.599 1.00 0.00 N ATOM 161 CZ ARG A 13 -0.958 -1.144 -10.184 1.00 0.00 C ATOM 162 NH1 ARG A 13 -1.266 -0.544 -11.329 1.00 0.00 N ATOM 163 NH2 ARG A 13 0.238 -0.924 -9.635 1.00 0.00 N ATOM 0 H ARG A 13 -7.353 -3.343 -11.276 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.651 -2.696 -12.021 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.734 -3.137 -9.649 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -5.383 -4.813 -10.022 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.577 -3.800 -8.703 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.998 -4.302 -10.279 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -3.243 -1.992 -11.102 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -3.816 -1.492 -9.523 1.00 0.00 H new ATOM 0 HE ARG A 13 -1.453 -2.551 -8.808 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -2.159 -0.737 -11.782 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.609 0.110 -11.755 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.504 -1.411 -8.779 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.887 -0.269 -10.071 1.00 0.00 H new ATOM 177 N CYS A 14 -5.591 -5.869 -12.117 1.00 0.00 N ATOM 178 CA CYS A 14 -5.271 -7.171 -12.682 1.00 0.00 C ATOM 179 C CYS A 14 -6.133 -7.450 -13.910 1.00 0.00 C ATOM 180 O CYS A 14 -5.757 -8.242 -14.773 1.00 0.00 O ATOM 181 CB CYS A 14 -5.367 -8.281 -11.644 1.00 0.00 C ATOM 182 SG CYS A 14 -6.971 -8.450 -10.832 1.00 0.00 S ATOM 0 H CYS A 14 -6.296 -5.893 -11.380 1.00 0.00 H new ATOM 0 HA CYS A 14 -4.231 -7.150 -13.007 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -5.122 -9.227 -12.126 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -4.609 -8.107 -10.880 1.00 0.00 H new ATOM 0 HG CYS A 14 -7.339 -7.298 -10.355 1.00 0.00 H new ATOM 187 N GLY A 15 -7.149 -6.609 -14.086 1.00 0.00 N ATOM 188 CA GLY A 15 -8.002 -6.666 -15.262 1.00 0.00 C ATOM 189 C GLY A 15 -9.019 -7.797 -15.132 1.00 0.00 C ATOM 190 O GLY A 15 -9.698 -8.146 -16.096 1.00 0.00 O ATOM 0 H GLY A 15 -7.400 -5.876 -13.422 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.521 -5.716 -15.388 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.393 -6.818 -16.153 1.00 0.00 H new ATOM 194 N GLN A 16 -9.211 -8.254 -13.899 1.00 0.00 N ATOM 195 CA GLN A 16 -10.336 -9.120 -13.565 1.00 0.00 C ATOM 196 C GLN A 16 -11.543 -8.281 -13.157 1.00 0.00 C ATOM 197 O GLN A 16 -11.498 -7.053 -13.194 1.00 0.00 O ATOM 198 CB GLN A 16 -9.989 -10.147 -12.485 1.00 0.00 C ATOM 199 CG GLN A 16 -9.827 -11.558 -13.014 1.00 0.00 C ATOM 200 CD GLN A 16 -11.144 -12.237 -13.301 1.00 0.00 C ATOM 201 OE1 GLN A 16 -11.663 -12.207 -14.413 1.00 0.00 O ATOM 202 NE2 GLN A 16 -11.656 -12.930 -12.286 1.00 0.00 N ATOM 0 H GLN A 16 -8.599 -8.038 -13.112 1.00 0.00 H new ATOM 0 HA GLN A 16 -10.585 -9.689 -14.461 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -9.065 -9.845 -11.993 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -10.771 -10.141 -11.726 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -9.232 -11.531 -13.927 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -9.270 -12.150 -12.288 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -11.190 -12.926 -11.379 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -12.514 -13.465 -12.416 1.00 0.00 H new ATOM 211 N ALA A 17 -12.560 -8.959 -12.633 1.00 0.00 N ATOM 212 CA ALA A 17 -13.643 -8.291 -11.920 1.00 0.00 C ATOM 213 C ALA A 17 -14.260 -9.237 -10.891 1.00 0.00 C ATOM 214 O ALA A 17 -14.202 -10.455 -11.046 1.00 0.00 O ATOM 215 CB ALA A 17 -14.693 -7.791 -12.906 1.00 0.00 C ATOM 0 H ALA A 17 -12.656 -9.973 -12.689 1.00 0.00 H new ATOM 0 HA ALA A 17 -13.240 -7.429 -11.388 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -15.496 -7.294 -12.362 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -14.234 -7.086 -13.599 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -15.100 -8.635 -13.463 1.00 0.00 H new ATOM 221 N VAL A 18 -14.704 -8.661 -9.778 1.00 0.00 N ATOM 222 CA VAL A 18 -15.009 -9.434 -8.581 1.00 0.00 C ATOM 223 C VAL A 18 -16.530 -9.627 -8.475 1.00 0.00 C ATOM 224 O VAL A 18 -17.278 -8.779 -8.979 1.00 0.00 O ATOM 225 CB VAL A 18 -14.393 -8.815 -7.318 1.00 0.00 C ATOM 226 CG1 VAL A 18 -14.252 -9.826 -6.179 1.00 0.00 C ATOM 227 CG2 VAL A 18 -13.060 -8.136 -7.593 1.00 0.00 C ATOM 0 H VAL A 18 -14.861 -7.658 -9.681 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.547 -10.418 -8.666 1.00 0.00 H new ATOM 0 HB VAL A 18 -15.098 -8.048 -6.997 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -13.811 -9.336 -5.310 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -15.235 -10.217 -5.916 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -13.609 -10.646 -6.498 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -12.668 -7.715 -6.667 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -12.354 -8.867 -7.987 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -13.202 -7.339 -8.322 1.00 0.00 H new ATOM 237 N TYR A 19 -16.903 -10.363 -7.423 1.00 0.00 N ATOM 238 CA TYR A 19 -18.307 -10.525 -7.068 1.00 0.00 C ATOM 239 C TYR A 19 -18.733 -9.456 -6.071 1.00 0.00 C ATOM 240 O TYR A 19 -19.587 -9.692 -5.210 1.00 0.00 O ATOM 241 CB TYR A 19 -18.573 -11.944 -6.519 1.00 0.00 C ATOM 242 CG TYR A 19 -19.756 -12.641 -7.148 1.00 0.00 C ATOM 243 CD1 TYR A 19 -19.591 -13.424 -8.290 1.00 0.00 C ATOM 244 CD2 TYR A 19 -21.029 -12.578 -6.574 1.00 0.00 C ATOM 245 CE1 TYR A 19 -20.652 -14.128 -8.847 1.00 0.00 C ATOM 246 CE2 TYR A 19 -22.107 -13.271 -7.123 1.00 0.00 C ATOM 247 CZ TYR A 19 -21.906 -14.063 -8.253 1.00 0.00 C ATOM 248 OH TYR A 19 -22.912 -14.812 -8.795 1.00 0.00 O ATOM 0 H TYR A 19 -16.252 -10.852 -6.808 1.00 0.00 H new ATOM 0 HA TYR A 19 -18.908 -10.401 -7.969 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -17.683 -12.554 -6.673 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -18.733 -11.881 -5.443 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -18.617 -13.485 -8.752 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -21.181 -11.980 -5.687 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -20.502 -14.722 -9.736 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -23.088 -13.195 -6.678 1.00 0.00 H new ATOM 0 HH TYR A 19 -23.735 -14.674 -8.282 1.00 0.00 H new ATOM 258 N ALA A 20 -18.357 -8.214 -6.377 1.00 0.00 N ATOM 259 CA ALA A 20 -18.587 -7.102 -5.465 1.00 0.00 C ATOM 260 C ALA A 20 -17.841 -7.330 -4.154 1.00 0.00 C ATOM 261 O ALA A 20 -18.284 -6.917 -3.085 1.00 0.00 O ATOM 262 CB ALA A 20 -20.082 -6.913 -5.227 1.00 0.00 C ATOM 0 H ALA A 20 -17.893 -7.957 -7.248 1.00 0.00 H new ATOM 0 HA ALA A 20 -18.201 -6.188 -5.916 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -20.239 -6.079 -4.543 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -20.578 -6.704 -6.175 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -20.499 -7.821 -4.792 1.00 0.00 H new ATOM 268 N ALA A 21 -16.715 -8.038 -4.243 1.00 0.00 N ATOM 269 CA ALA A 21 -16.147 -8.711 -3.078 1.00 0.00 C ATOM 270 C ALA A 21 -15.103 -7.818 -2.403 1.00 0.00 C ATOM 271 O ALA A 21 -15.222 -7.523 -1.210 1.00 0.00 O ATOM 272 CB ALA A 21 -15.543 -10.050 -3.480 1.00 0.00 C ATOM 0 H ALA A 21 -16.182 -8.159 -5.104 1.00 0.00 H new ATOM 0 HA ALA A 21 -16.945 -8.902 -2.360 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -15.124 -10.539 -2.600 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -16.317 -10.683 -3.913 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -14.755 -9.888 -4.215 1.00 0.00 H new ATOM 278 N GLU A 22 -13.963 -7.650 -3.070 1.00 0.00 N ATOM 279 CA GLU A 22 -12.699 -7.376 -2.387 1.00 0.00 C ATOM 280 C GLU A 22 -12.432 -5.864 -2.313 1.00 0.00 C ATOM 281 O GLU A 22 -11.311 -5.470 -1.951 1.00 0.00 O ATOM 282 CB GLU A 22 -11.599 -8.076 -3.170 1.00 0.00 C ATOM 283 CG GLU A 22 -11.554 -7.828 -4.650 1.00 0.00 C ATOM 284 CD GLU A 22 -12.148 -6.566 -5.211 1.00 0.00 C ATOM 285 OE1 GLU A 22 -13.365 -6.387 -5.283 1.00 0.00 O ATOM 286 OE2 GLU A 22 -11.366 -6.024 -6.036 1.00 0.00 O ATOM 0 H GLU A 22 -13.888 -7.699 -4.086 1.00 0.00 H new ATOM 0 HA GLU A 22 -12.735 -7.745 -1.362 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.640 -7.778 -2.747 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -11.699 -9.149 -3.009 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -10.508 -7.859 -4.954 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.052 -8.667 -5.136 1.00 0.00 H new ATOM 293 N LYS A 23 -13.246 -5.096 -3.030 1.00 0.00 N ATOM 294 CA LYS A 23 -12.804 -3.856 -3.671 1.00 0.00 C ATOM 295 C LYS A 23 -12.259 -2.883 -2.632 1.00 0.00 C ATOM 296 O LYS A 23 -12.988 -2.421 -1.754 1.00 0.00 O ATOM 297 CB LYS A 23 -13.925 -3.189 -4.458 1.00 0.00 C ATOM 298 CG LYS A 23 -15.090 -2.691 -3.602 1.00 0.00 C ATOM 299 CD LYS A 23 -15.693 -3.772 -2.725 1.00 0.00 C ATOM 300 CE LYS A 23 -16.903 -3.370 -1.990 1.00 0.00 C ATOM 301 NZ LYS A 23 -17.963 -4.406 -2.081 1.00 0.00 N ATOM 0 H LYS A 23 -14.231 -5.313 -3.185 1.00 0.00 H new ATOM 0 HA LYS A 23 -12.013 -4.123 -4.372 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -13.511 -2.346 -5.012 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -14.307 -3.897 -5.193 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -14.745 -1.872 -2.972 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -15.865 -2.287 -4.254 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -15.933 -4.633 -3.348 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -14.941 -4.098 -2.007 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -16.653 -3.194 -0.944 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -17.278 -2.428 -2.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -18.726 -4.069 -2.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -17.560 -5.282 -2.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -18.347 -4.594 -1.133 1.00 0.00 H new ATOM 315 N VAL A 24 -11.022 -2.440 -2.848 1.00 0.00 N ATOM 316 CA VAL A 24 -10.528 -1.204 -2.246 1.00 0.00 C ATOM 317 C VAL A 24 -10.750 -0.035 -3.210 1.00 0.00 C ATOM 318 O VAL A 24 -10.908 -0.253 -4.414 1.00 0.00 O ATOM 319 CB VAL A 24 -9.056 -1.366 -1.820 1.00 0.00 C ATOM 320 CG1 VAL A 24 -8.895 -2.253 -0.591 1.00 0.00 C ATOM 321 CG2 VAL A 24 -8.191 -1.866 -2.966 1.00 0.00 C ATOM 0 H VAL A 24 -10.342 -2.920 -3.437 1.00 0.00 H new ATOM 0 HA VAL A 24 -11.088 -0.981 -1.338 1.00 0.00 H new ATOM 0 HB VAL A 24 -8.709 -0.370 -1.543 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -7.838 -2.332 -0.335 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -9.439 -1.816 0.247 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -9.292 -3.245 -0.804 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -7.160 -1.967 -2.626 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -8.559 -2.835 -3.304 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -8.233 -1.155 -3.791 1.00 0.00 H new ATOM 331 N ILE A 25 -10.432 1.160 -2.725 1.00 0.00 N ATOM 332 CA ILE A 25 -10.309 2.335 -3.578 1.00 0.00 C ATOM 333 C ILE A 25 -9.156 3.216 -3.106 1.00 0.00 C ATOM 334 O ILE A 25 -8.895 3.323 -1.909 1.00 0.00 O ATOM 335 CB ILE A 25 -11.671 3.127 -3.618 1.00 0.00 C ATOM 336 CG1 ILE A 25 -12.784 2.195 -4.161 1.00 0.00 C ATOM 337 CG2 ILE A 25 -11.572 4.444 -4.415 1.00 0.00 C ATOM 338 CD1 ILE A 25 -13.649 1.523 -3.067 1.00 0.00 C ATOM 0 H ILE A 25 -10.254 1.340 -1.737 1.00 0.00 H new ATOM 0 HA ILE A 25 -10.083 2.015 -4.595 1.00 0.00 H new ATOM 0 HB ILE A 25 -11.925 3.429 -2.602 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -13.435 2.772 -4.818 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -12.324 1.418 -4.771 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -12.539 4.947 -4.409 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -10.824 5.091 -3.957 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -11.283 4.226 -5.443 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -14.402 0.889 -3.536 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -13.013 0.915 -2.423 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -14.142 2.291 -2.470 1.00 0.00 H new ATOM 350 N GLY A 26 -8.591 3.965 -4.047 1.00 0.00 N ATOM 351 CA GLY A 26 -7.644 5.024 -3.727 1.00 0.00 C ATOM 352 C GLY A 26 -7.649 6.090 -4.819 1.00 0.00 C ATOM 353 O GLY A 26 -7.422 5.789 -5.991 1.00 0.00 O ATOM 0 H GLY A 26 -8.775 3.856 -5.044 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -7.903 5.475 -2.769 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -6.643 4.606 -3.623 1.00 0.00 H new ATOM 357 N ALA A 27 -7.659 7.345 -4.379 1.00 0.00 N ATOM 358 CA ALA A 27 -7.635 8.478 -5.293 1.00 0.00 C ATOM 359 C ALA A 27 -8.873 8.463 -6.188 1.00 0.00 C ATOM 360 O ALA A 27 -9.904 9.038 -5.844 1.00 0.00 O ATOM 361 CB ALA A 27 -6.358 8.461 -6.126 1.00 0.00 C ATOM 0 H ALA A 27 -7.684 7.601 -3.392 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.647 9.400 -4.711 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.355 9.314 -6.804 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -5.492 8.519 -5.466 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.313 7.538 -6.704 1.00 0.00 H new ATOM 367 N GLY A 28 -8.802 7.658 -7.241 1.00 0.00 N ATOM 368 CA GLY A 28 -9.956 7.387 -8.086 1.00 0.00 C ATOM 369 C GLY A 28 -9.913 5.953 -8.603 1.00 0.00 C ATOM 370 O GLY A 28 -10.463 5.647 -9.660 1.00 0.00 O ATOM 0 H GLY A 28 -7.950 7.179 -7.531 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -10.874 7.549 -7.521 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -9.971 8.082 -8.925 1.00 0.00 H new ATOM 374 N LYS A 29 -9.150 5.118 -7.907 1.00 0.00 N ATOM 375 CA LYS A 29 -8.856 3.771 -8.374 1.00 0.00 C ATOM 376 C LYS A 29 -9.688 2.748 -7.605 1.00 0.00 C ATOM 377 O LYS A 29 -10.221 3.043 -6.538 1.00 0.00 O ATOM 378 CB LYS A 29 -7.375 3.424 -8.217 1.00 0.00 C ATOM 379 CG LYS A 29 -6.497 3.914 -9.369 1.00 0.00 C ATOM 380 CD LYS A 29 -6.690 3.116 -10.645 1.00 0.00 C ATOM 381 CE LYS A 29 -5.800 3.498 -11.754 1.00 0.00 C ATOM 382 NZ LYS A 29 -6.387 4.592 -12.569 1.00 0.00 N ATOM 0 H LYS A 29 -8.722 5.354 -7.012 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.109 3.739 -9.434 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.008 3.855 -7.285 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.273 2.342 -8.130 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -6.719 4.963 -9.566 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.451 3.860 -9.069 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.537 2.060 -10.423 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.724 3.227 -10.973 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -4.836 3.816 -11.356 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.613 2.631 -12.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.735 4.837 -13.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.295 4.279 -12.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.542 5.427 -11.969 1.00 0.00 H new ATOM 396 N SER A 30 -9.685 1.517 -8.105 1.00 0.00 N ATOM 397 CA SER A 30 -10.204 0.380 -7.358 1.00 0.00 C ATOM 398 C SER A 30 -9.360 -0.863 -7.634 1.00 0.00 C ATOM 399 O SER A 30 -8.604 -0.894 -8.607 1.00 0.00 O ATOM 400 CB SER A 30 -11.672 0.128 -7.670 1.00 0.00 C ATOM 401 OG SER A 30 -12.187 -0.954 -6.914 1.00 0.00 O ATOM 0 H SER A 30 -9.326 1.282 -9.030 1.00 0.00 H new ATOM 0 HA SER A 30 -10.138 0.615 -6.296 1.00 0.00 H new ATOM 0 HB2 SER A 30 -12.249 1.028 -7.458 1.00 0.00 H new ATOM 0 HB3 SER A 30 -11.788 -0.082 -8.733 1.00 0.00 H new ATOM 0 HG SER A 30 -11.855 -0.898 -5.994 1.00 0.00 H new ATOM 407 N TRP A 31 -9.296 -1.739 -6.635 1.00 0.00 N ATOM 408 CA TRP A 31 -8.347 -2.841 -6.634 1.00 0.00 C ATOM 409 C TRP A 31 -8.987 -4.081 -5.996 1.00 0.00 C ATOM 410 O TRP A 31 -9.983 -3.956 -5.279 1.00 0.00 O ATOM 411 CB TRP A 31 -7.030 -2.469 -5.963 1.00 0.00 C ATOM 412 CG TRP A 31 -6.673 -1.023 -5.992 1.00 0.00 C ATOM 413 CD1 TRP A 31 -7.425 0.024 -5.521 1.00 0.00 C ATOM 414 CD2 TRP A 31 -5.370 -0.476 -6.261 1.00 0.00 C ATOM 415 NE1 TRP A 31 -6.730 1.204 -5.658 1.00 0.00 N ATOM 416 CE2 TRP A 31 -5.462 0.923 -6.082 1.00 0.00 C ATOM 417 CE3 TRP A 31 -4.163 -1.037 -6.661 1.00 0.00 C ATOM 418 CZ2 TRP A 31 -4.392 1.772 -6.324 1.00 0.00 C ATOM 419 CZ3 TRP A 31 -3.098 -0.194 -6.904 1.00 0.00 C ATOM 420 CH2 TRP A 31 -3.206 1.185 -6.740 1.00 0.00 C ATOM 0 H TRP A 31 -9.896 -1.703 -5.811 1.00 0.00 H new ATOM 0 HA TRP A 31 -8.098 -3.075 -7.669 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -7.070 -2.793 -4.923 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -6.228 -3.031 -6.442 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -8.417 -0.065 -5.104 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -7.101 2.136 -5.473 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -4.061 -2.106 -6.779 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -4.478 2.841 -6.194 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -2.158 -0.614 -7.229 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -2.349 1.810 -6.941 1.00 0.00 H new ATOM 431 N HIS A 32 -8.235 -5.177 -6.010 1.00 0.00 N ATOM 432 CA HIS A 32 -8.483 -6.296 -5.104 1.00 0.00 C ATOM 433 C HIS A 32 -7.675 -6.101 -3.817 1.00 0.00 C ATOM 434 O HIS A 32 -6.597 -5.510 -3.843 1.00 0.00 O ATOM 435 CB HIS A 32 -8.144 -7.678 -5.699 1.00 0.00 C ATOM 436 CG HIS A 32 -9.055 -8.093 -6.823 1.00 0.00 C ATOM 437 ND1 HIS A 32 -8.689 -7.968 -8.162 1.00 0.00 N ATOM 438 CD2 HIS A 32 -9.958 -9.128 -6.831 1.00 0.00 C ATOM 439 CE1 HIS A 32 -9.698 -8.451 -8.888 1.00 0.00 C ATOM 440 NE2 HIS A 32 -10.493 -9.148 -8.100 1.00 0.00 N ATOM 0 H HIS A 32 -7.446 -5.315 -6.641 1.00 0.00 H new ATOM 0 HA HIS A 32 -9.556 -6.293 -4.910 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -7.116 -7.665 -6.062 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -8.193 -8.426 -4.908 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -10.199 -9.789 -6.012 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -9.841 -8.297 -9.947 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -11.353 -9.619 -8.381 1.00 0.00 H new ATOM 448 N LYS A 33 -8.061 -6.864 -2.798 1.00 0.00 N ATOM 449 CA LYS A 33 -7.398 -6.794 -1.503 1.00 0.00 C ATOM 450 C LYS A 33 -6.026 -7.456 -1.571 1.00 0.00 C ATOM 451 O LYS A 33 -5.158 -7.198 -0.738 1.00 0.00 O ATOM 452 CB LYS A 33 -8.223 -7.468 -0.404 1.00 0.00 C ATOM 453 CG LYS A 33 -8.687 -8.881 -0.757 1.00 0.00 C ATOM 454 CD LYS A 33 -7.727 -9.958 -0.289 1.00 0.00 C ATOM 455 CE LYS A 33 -8.005 -10.494 1.054 1.00 0.00 C ATOM 456 NZ LYS A 33 -6.950 -10.103 2.024 1.00 0.00 N ATOM 0 H LYS A 33 -8.827 -7.535 -2.845 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.290 -5.738 -1.256 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.629 -7.509 0.509 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -9.096 -6.852 -0.189 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -9.666 -9.057 -0.312 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -8.810 -8.957 -1.837 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.749 -10.780 -1.004 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.715 -9.553 -0.300 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -8.972 -10.129 1.400 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.073 -11.581 1.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.176 -10.496 2.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.031 -10.472 1.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.903 -9.066 2.087 1.00 0.00 H new ATOM 470 N SER A 34 -5.921 -8.452 -2.446 1.00 0.00 N ATOM 471 CA SER A 34 -4.657 -9.137 -2.675 1.00 0.00 C ATOM 472 C SER A 34 -3.782 -8.334 -3.633 1.00 0.00 C ATOM 473 O SER A 34 -2.595 -8.615 -3.787 1.00 0.00 O ATOM 474 CB SER A 34 -4.874 -10.557 -3.185 1.00 0.00 C ATOM 475 OG SER A 34 -5.165 -11.449 -2.124 1.00 0.00 O ATOM 0 H SER A 34 -6.698 -8.801 -3.007 1.00 0.00 H new ATOM 0 HA SER A 34 -4.138 -9.214 -1.720 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.693 -10.566 -3.904 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.983 -10.896 -3.713 1.00 0.00 H new ATOM 0 HG SER A 34 -5.301 -12.351 -2.483 1.00 0.00 H new ATOM 481 N CYS A 35 -4.420 -7.422 -4.358 1.00 0.00 N ATOM 482 CA CYS A 35 -3.770 -6.716 -5.454 1.00 0.00 C ATOM 483 C CYS A 35 -3.014 -5.499 -4.930 1.00 0.00 C ATOM 484 O CYS A 35 -2.143 -4.957 -5.605 1.00 0.00 O ATOM 485 CB CYS A 35 -4.780 -6.325 -6.532 1.00 0.00 C ATOM 486 SG CYS A 35 -5.001 -7.560 -7.833 1.00 0.00 S ATOM 0 H CYS A 35 -5.392 -7.154 -4.205 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.047 -7.389 -5.915 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -5.744 -6.138 -6.059 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.461 -5.388 -6.988 1.00 0.00 H new ATOM 0 HG CYS A 35 -6.270 -7.757 -8.033 1.00 0.00 H new ATOM 491 N PHE A 36 -3.326 -5.121 -3.694 1.00 0.00 N ATOM 492 CA PHE A 36 -2.830 -3.871 -3.132 1.00 0.00 C ATOM 493 C PHE A 36 -1.323 -3.954 -2.902 1.00 0.00 C ATOM 494 O PHE A 36 -0.850 -4.767 -2.110 1.00 0.00 O ATOM 495 CB PHE A 36 -3.522 -3.469 -1.805 1.00 0.00 C ATOM 496 CG PHE A 36 -3.980 -2.039 -1.810 1.00 0.00 C ATOM 497 CD1 PHE A 36 -3.120 -0.960 -2.015 1.00 0.00 C ATOM 498 CD2 PHE A 36 -5.352 -1.806 -1.682 1.00 0.00 C ATOM 499 CE1 PHE A 36 -3.603 0.352 -1.971 1.00 0.00 C ATOM 500 CE2 PHE A 36 -5.855 -0.515 -1.655 1.00 0.00 C ATOM 501 CZ PHE A 36 -4.977 0.565 -1.768 1.00 0.00 C ATOM 0 H PHE A 36 -3.919 -5.662 -3.064 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.066 -3.100 -3.866 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -4.378 -4.121 -1.632 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.831 -3.624 -0.976 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.073 -1.139 -2.209 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.029 -2.643 -1.603 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.930 1.188 -2.091 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.916 -0.346 -1.548 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.358 1.573 -1.699 1.00 0.00 H new ATOM 511 N ARG A 37 -0.583 -3.203 -3.710 1.00 0.00 N ATOM 512 CA ARG A 37 0.868 -3.325 -3.761 1.00 0.00 C ATOM 513 C ARG A 37 1.526 -2.034 -3.283 1.00 0.00 C ATOM 514 O ARG A 37 1.681 -1.084 -4.048 1.00 0.00 O ATOM 515 CB ARG A 37 1.358 -3.663 -5.176 1.00 0.00 C ATOM 516 CG ARG A 37 2.140 -4.965 -5.280 1.00 0.00 C ATOM 517 CD ARG A 37 1.234 -6.150 -5.295 1.00 0.00 C ATOM 518 NE ARG A 37 1.859 -7.309 -5.918 1.00 0.00 N ATOM 519 CZ ARG A 37 1.222 -8.112 -6.773 1.00 0.00 C ATOM 520 NH1 ARG A 37 -0.091 -8.025 -6.962 1.00 0.00 N ATOM 521 NH2 ARG A 37 1.910 -9.060 -7.409 1.00 0.00 N ATOM 0 H ARG A 37 -0.967 -2.500 -4.341 1.00 0.00 H new ATOM 0 HA ARG A 37 1.151 -4.144 -3.099 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.497 -3.717 -5.842 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.986 -2.847 -5.534 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.743 -4.956 -6.188 1.00 0.00 H new ATOM 0 HG3 ARG A 37 2.830 -5.044 -4.440 1.00 0.00 H new ATOM 0 HD2 ARG A 37 0.946 -6.399 -4.274 1.00 0.00 H new ATOM 0 HD3 ARG A 37 0.319 -5.900 -5.832 1.00 0.00 H new ATOM 0 HE ARG A 37 2.831 -7.517 -5.690 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.636 -7.333 -6.448 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -0.554 -8.651 -7.621 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.910 -9.165 -7.240 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.436 -9.681 -8.065 1.00 0.00 H new ATOM 535 N CYS A 38 1.961 -2.044 -2.028 1.00 0.00 N ATOM 536 CA CYS A 38 2.883 -1.017 -1.535 1.00 0.00 C ATOM 537 C CYS A 38 4.206 -1.111 -2.302 1.00 0.00 C ATOM 538 O CYS A 38 5.068 -1.917 -1.930 1.00 0.00 O ATOM 539 CB CYS A 38 3.083 -1.161 -0.033 1.00 0.00 C ATOM 540 SG CYS A 38 3.970 0.205 0.760 1.00 0.00 S ATOM 0 H CYS A 38 1.695 -2.744 -1.335 1.00 0.00 H new ATOM 0 HA CYS A 38 2.460 -0.027 -1.708 1.00 0.00 H new ATOM 0 HB2 CYS A 38 2.106 -1.262 0.440 1.00 0.00 H new ATOM 0 HB3 CYS A 38 3.627 -2.086 0.158 1.00 0.00 H new ATOM 0 HG CYS A 38 3.693 0.223 2.030 1.00 0.00 H new ATOM 545 N ALA A 39 4.501 -0.037 -3.031 1.00 0.00 N ATOM 546 CA ALA A 39 5.815 0.165 -3.622 1.00 0.00 C ATOM 547 C ALA A 39 6.648 1.107 -2.755 1.00 0.00 C ATOM 548 O ALA A 39 7.532 1.803 -3.257 1.00 0.00 O ATOM 549 CB ALA A 39 5.680 0.702 -5.043 1.00 0.00 C ATOM 0 H ALA A 39 3.837 0.712 -3.226 1.00 0.00 H new ATOM 0 HA ALA A 39 6.331 -0.794 -3.671 1.00 0.00 H new ATOM 0 HB1 ALA A 39 6.671 0.848 -5.472 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.123 -0.012 -5.650 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.149 1.654 -5.023 1.00 0.00 H new ATOM 555 N LYS A 40 6.566 0.881 -1.444 1.00 0.00 N ATOM 556 CA LYS A 40 7.289 1.699 -0.483 1.00 0.00 C ATOM 557 C LYS A 40 8.078 0.818 0.482 1.00 0.00 C ATOM 558 O LYS A 40 9.273 1.022 0.687 1.00 0.00 O ATOM 559 CB LYS A 40 6.353 2.603 0.321 1.00 0.00 C ATOM 560 CG LYS A 40 7.021 3.876 0.843 1.00 0.00 C ATOM 561 CD LYS A 40 6.083 5.068 0.882 1.00 0.00 C ATOM 562 CE LYS A 40 6.689 6.316 1.376 1.00 0.00 C ATOM 563 NZ LYS A 40 7.090 6.198 2.800 1.00 0.00 N ATOM 0 H LYS A 40 6.005 0.138 -1.028 1.00 0.00 H new ATOM 0 HA LYS A 40 7.970 2.330 -1.055 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.504 2.880 -0.305 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.956 2.040 1.166 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.406 3.692 1.846 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.877 4.115 0.212 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.697 5.241 -0.122 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.230 4.820 1.513 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.561 6.563 0.770 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.980 7.136 1.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.371 7.132 3.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.289 5.838 3.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.892 5.541 2.882 1.00 0.00 H new ATOM 577 N CYS A 41 7.413 -0.210 1.005 1.00 0.00 N ATOM 578 CA CYS A 41 8.120 -1.344 1.602 1.00 0.00 C ATOM 579 C CYS A 41 8.245 -2.475 0.581 1.00 0.00 C ATOM 580 O CYS A 41 9.194 -3.259 0.632 1.00 0.00 O ATOM 581 CB CYS A 41 7.481 -1.794 2.901 1.00 0.00 C ATOM 582 SG CYS A 41 5.750 -2.298 2.798 1.00 0.00 S ATOM 0 H CYS A 41 6.396 -0.283 1.028 1.00 0.00 H new ATOM 0 HA CYS A 41 9.127 -1.024 1.870 1.00 0.00 H new ATOM 0 HB2 CYS A 41 8.059 -2.629 3.297 1.00 0.00 H new ATOM 0 HB3 CYS A 41 7.560 -0.981 3.623 1.00 0.00 H new ATOM 0 HG CYS A 41 5.093 -1.446 2.068 1.00 0.00 H new ATOM 587 N GLY A 42 7.478 -2.338 -0.499 1.00 0.00 N ATOM 588 CA GLY A 42 7.654 -3.155 -1.688 1.00 0.00 C ATOM 589 C GLY A 42 6.826 -4.432 -1.586 1.00 0.00 C ATOM 590 O GLY A 42 7.143 -5.439 -2.216 1.00 0.00 O ATOM 0 H GLY A 42 6.721 -1.658 -0.570 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.356 -2.591 -2.572 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.707 -3.406 -1.811 1.00 0.00 H new ATOM 594 N LYS A 43 5.846 -4.411 -0.687 1.00 0.00 N ATOM 595 CA LYS A 43 5.194 -5.636 -0.236 1.00 0.00 C ATOM 596 C LYS A 43 3.769 -5.711 -0.778 1.00 0.00 C ATOM 597 O LYS A 43 3.068 -4.702 -0.861 1.00 0.00 O ATOM 598 CB LYS A 43 5.151 -5.727 1.290 1.00 0.00 C ATOM 599 CG LYS A 43 5.085 -7.158 1.825 1.00 0.00 C ATOM 600 CD LYS A 43 5.364 -7.251 3.313 1.00 0.00 C ATOM 601 CE LYS A 43 6.780 -7.438 3.667 1.00 0.00 C ATOM 602 NZ LYS A 43 7.172 -6.579 4.812 1.00 0.00 N ATOM 0 H LYS A 43 5.486 -3.559 -0.257 1.00 0.00 H new ATOM 0 HA LYS A 43 5.782 -6.471 -0.617 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.035 -5.238 1.698 1.00 0.00 H new ATOM 0 HB3 LYS A 43 4.285 -5.174 1.653 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.097 -7.571 1.620 1.00 0.00 H new ATOM 0 HG3 LYS A 43 5.806 -7.774 1.287 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.001 -6.342 3.793 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.789 -8.080 3.725 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.959 -8.484 3.917 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.405 -7.205 2.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 8.176 -6.735 5.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 7.024 -5.580 4.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.591 -6.819 5.641 1.00 0.00 H new ATOM 616 N SER A 44 3.305 -6.935 -1.015 1.00 0.00 N ATOM 617 CA SER A 44 1.869 -7.211 -1.083 1.00 0.00 C ATOM 618 C SER A 44 1.250 -7.060 0.308 1.00 0.00 C ATOM 619 O SER A 44 1.933 -7.264 1.314 1.00 0.00 O ATOM 620 CB SER A 44 1.593 -8.586 -1.665 1.00 0.00 C ATOM 621 OG SER A 44 2.441 -8.869 -2.764 1.00 0.00 O ATOM 0 H SER A 44 3.899 -7.751 -1.163 1.00 0.00 H new ATOM 0 HA SER A 44 1.407 -6.487 -1.754 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.733 -9.343 -0.893 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.552 -8.644 -1.984 1.00 0.00 H new ATOM 0 HG SER A 44 2.237 -9.762 -3.113 1.00 0.00 H new ATOM 627 N LEU A 45 0.072 -6.441 0.351 1.00 0.00 N ATOM 628 CA LEU A 45 -0.437 -5.814 1.555 1.00 0.00 C ATOM 629 C LEU A 45 -1.503 -6.699 2.222 1.00 0.00 C ATOM 630 O LEU A 45 -1.431 -7.922 2.138 1.00 0.00 O ATOM 631 CB LEU A 45 -0.979 -4.425 1.191 1.00 0.00 C ATOM 632 CG LEU A 45 -0.349 -3.198 1.802 1.00 0.00 C ATOM 633 CD1 LEU A 45 -1.289 -1.998 1.639 1.00 0.00 C ATOM 634 CD2 LEU A 45 -0.042 -3.409 3.276 1.00 0.00 C ATOM 0 H LEU A 45 -0.552 -6.363 -0.452 1.00 0.00 H new ATOM 0 HA LEU A 45 0.364 -5.695 2.285 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.912 -4.322 0.108 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.038 -4.410 1.447 1.00 0.00 H new ATOM 0 HG LEU A 45 0.590 -3.006 1.283 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.830 -1.114 2.082 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.472 -1.820 0.579 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.234 -2.206 2.140 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.411 -2.506 3.686 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.965 -3.627 3.812 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.649 -4.245 3.388 1.00 0.00 H new ATOM 646 N GLU A 46 -2.235 -6.065 3.136 1.00 0.00 N ATOM 647 CA GLU A 46 -3.149 -6.783 4.014 1.00 0.00 C ATOM 648 C GLU A 46 -4.565 -6.222 3.870 1.00 0.00 C ATOM 649 O GLU A 46 -4.746 -5.098 3.404 1.00 0.00 O ATOM 650 CB GLU A 46 -2.636 -6.644 5.442 1.00 0.00 C ATOM 651 CG GLU A 46 -1.522 -7.578 5.832 1.00 0.00 C ATOM 652 CD GLU A 46 -1.596 -8.997 5.342 1.00 0.00 C ATOM 653 OE1 GLU A 46 -2.368 -9.830 5.779 1.00 0.00 O ATOM 654 OE2 GLU A 46 -0.779 -9.221 4.424 1.00 0.00 O ATOM 0 H GLU A 46 -2.211 -5.056 3.286 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.192 -7.839 3.747 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -2.293 -5.620 5.587 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -3.471 -6.800 6.125 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.585 -7.149 5.477 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.470 -7.601 6.920 1.00 0.00 H new ATOM 661 N SER A 47 -5.515 -6.924 4.477 1.00 0.00 N ATOM 662 CA SER A 47 -6.861 -6.402 4.663 1.00 0.00 C ATOM 663 C SER A 47 -6.827 -5.133 5.510 1.00 0.00 C ATOM 664 O SER A 47 -7.733 -4.304 5.440 1.00 0.00 O ATOM 665 CB SER A 47 -7.788 -7.446 5.273 1.00 0.00 C ATOM 666 OG SER A 47 -7.357 -7.829 6.567 1.00 0.00 O ATOM 0 H SER A 47 -5.375 -7.863 4.851 1.00 0.00 H new ATOM 0 HA SER A 47 -7.263 -6.150 3.681 1.00 0.00 H new ATOM 0 HB2 SER A 47 -8.801 -7.047 5.329 1.00 0.00 H new ATOM 0 HB3 SER A 47 -7.826 -8.323 4.626 1.00 0.00 H new ATOM 0 HG SER A 47 -7.973 -8.498 6.932 1.00 0.00 H new ATOM 672 N THR A 48 -5.676 -4.904 6.134 1.00 0.00 N ATOM 673 CA THR A 48 -5.423 -3.671 6.864 1.00 0.00 C ATOM 674 C THR A 48 -5.506 -2.470 5.928 1.00 0.00 C ATOM 675 O THR A 48 -5.891 -2.599 4.767 1.00 0.00 O ATOM 676 CB THR A 48 -4.021 -3.706 7.603 1.00 0.00 C ATOM 677 OG1 THR A 48 -3.010 -3.576 6.552 1.00 0.00 O ATOM 678 CG2 THR A 48 -3.803 -4.955 8.456 1.00 0.00 C ATOM 0 H THR A 48 -4.898 -5.564 6.147 1.00 0.00 H new ATOM 0 HA THR A 48 -6.195 -3.575 7.628 1.00 0.00 H new ATOM 0 HB THR A 48 -3.962 -2.891 8.325 1.00 0.00 H new ATOM 0 HG1 THR A 48 -2.116 -3.590 6.954 1.00 0.00 H new ATOM 0 HG21 THR A 48 -2.822 -4.906 8.929 1.00 0.00 H new ATOM 0 HG22 THR A 48 -4.574 -5.010 9.224 1.00 0.00 H new ATOM 0 HG23 THR A 48 -3.857 -5.841 7.824 1.00 0.00 H new ATOM 686 N THR A 49 -5.243 -1.294 6.486 1.00 0.00 N ATOM 687 CA THR A 49 -5.516 -0.037 5.799 1.00 0.00 C ATOM 688 C THR A 49 -4.369 0.316 4.859 1.00 0.00 C ATOM 689 O THR A 49 -3.346 -0.368 4.823 1.00 0.00 O ATOM 690 CB THR A 49 -5.781 1.141 6.826 1.00 0.00 C ATOM 691 OG1 THR A 49 -6.285 0.507 8.044 1.00 0.00 O ATOM 692 CG2 THR A 49 -6.735 2.214 6.302 1.00 0.00 C ATOM 0 H THR A 49 -4.839 -1.185 7.416 1.00 0.00 H new ATOM 0 HA THR A 49 -6.423 -0.169 5.209 1.00 0.00 H new ATOM 0 HB THR A 49 -4.856 1.688 7.008 1.00 0.00 H new ATOM 0 HG1 THR A 49 -6.757 1.172 8.587 1.00 0.00 H new ATOM 0 HG21 THR A 49 -6.867 2.986 7.061 1.00 0.00 H new ATOM 0 HG22 THR A 49 -6.320 2.660 5.399 1.00 0.00 H new ATOM 0 HG23 THR A 49 -7.700 1.762 6.073 1.00 0.00 H new ATOM 700 N LEU A 50 -4.460 1.508 4.272 1.00 0.00 N ATOM 701 CA LEU A 50 -3.543 1.894 3.204 1.00 0.00 C ATOM 702 C LEU A 50 -3.413 3.411 3.138 1.00 0.00 C ATOM 703 O LEU A 50 -3.956 4.130 3.975 1.00 0.00 O ATOM 704 CB LEU A 50 -4.053 1.256 1.900 1.00 0.00 C ATOM 705 CG LEU A 50 -5.550 1.304 1.655 1.00 0.00 C ATOM 706 CD1 LEU A 50 -5.890 2.272 0.529 1.00 0.00 C ATOM 707 CD2 LEU A 50 -6.043 -0.097 1.309 1.00 0.00 C ATOM 0 H LEU A 50 -5.153 2.216 4.515 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.533 1.529 3.388 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.556 1.748 1.064 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.740 0.212 1.887 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.045 1.658 2.560 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.969 2.286 0.375 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.548 3.273 0.794 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.397 1.951 -0.388 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.118 -0.071 1.132 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.535 -0.450 0.411 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.828 -0.773 2.137 1.00 0.00 H new ATOM 719 N ALA A 51 -2.750 3.881 2.087 1.00 0.00 N ATOM 720 CA ALA A 51 -2.711 5.306 1.778 1.00 0.00 C ATOM 721 C ALA A 51 -2.452 5.516 0.289 1.00 0.00 C ATOM 722 O ALA A 51 -1.307 5.496 -0.160 1.00 0.00 O ATOM 723 CB ALA A 51 -1.650 6.001 2.623 1.00 0.00 C ATOM 0 H ALA A 51 -2.231 3.295 1.433 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.678 5.748 2.019 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.632 7.064 2.382 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.885 5.872 3.680 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.674 5.564 2.412 1.00 0.00 H new ATOM 729 N ASP A 52 -3.512 5.872 -0.427 1.00 0.00 N ATOM 730 CA ASP A 52 -3.402 6.292 -1.816 1.00 0.00 C ATOM 731 C ASP A 52 -2.934 7.743 -1.897 1.00 0.00 C ATOM 732 O ASP A 52 -2.967 8.471 -0.906 1.00 0.00 O ATOM 733 CB ASP A 52 -4.682 6.004 -2.596 1.00 0.00 C ATOM 734 CG ASP A 52 -5.855 6.863 -2.160 1.00 0.00 C ATOM 735 OD1 ASP A 52 -5.881 8.030 -2.611 1.00 0.00 O ATOM 736 OD2 ASP A 52 -6.631 6.469 -1.275 1.00 0.00 O ATOM 0 H ASP A 52 -4.465 5.877 -0.063 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.635 5.695 -2.309 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.497 6.166 -3.658 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.945 4.953 -2.475 1.00 0.00 H new ATOM 741 N LYS A 53 -2.355 8.089 -3.041 1.00 0.00 N ATOM 742 CA LYS A 53 -1.688 9.373 -3.210 1.00 0.00 C ATOM 743 C LYS A 53 -1.119 9.498 -4.618 1.00 0.00 C ATOM 744 O LYS A 53 -0.319 8.672 -5.056 1.00 0.00 O ATOM 745 CB LYS A 53 -0.557 9.563 -2.196 1.00 0.00 C ATOM 746 CG LYS A 53 0.126 10.929 -2.279 1.00 0.00 C ATOM 747 CD LYS A 53 -0.499 11.965 -1.365 1.00 0.00 C ATOM 748 CE LYS A 53 0.458 12.743 -0.563 1.00 0.00 C ATOM 749 NZ LYS A 53 1.031 13.869 -1.342 1.00 0.00 N ATOM 0 H LYS A 53 -2.335 7.494 -3.869 1.00 0.00 H new ATOM 0 HA LYS A 53 -2.438 10.147 -3.043 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.957 9.428 -1.191 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.190 8.784 -2.349 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.180 10.817 -2.024 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.083 11.288 -3.307 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.088 12.654 -1.970 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.192 11.462 -0.690 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.041 13.130 0.326 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.261 12.091 -0.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.701 14.397 -0.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.527 13.497 -2.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.266 14.504 -1.649 1.00 0.00 H new ATOM 763 N ASP A 54 -1.696 10.419 -5.388 1.00 0.00 N ATOM 764 CA ASP A 54 -1.127 10.796 -6.675 1.00 0.00 C ATOM 765 C ASP A 54 -1.082 9.595 -7.615 1.00 0.00 C ATOM 766 O ASP A 54 -0.424 9.633 -8.654 1.00 0.00 O ATOM 767 CB ASP A 54 0.205 11.522 -6.515 1.00 0.00 C ATOM 768 CG ASP A 54 1.364 10.597 -6.196 1.00 0.00 C ATOM 769 OD1 ASP A 54 1.947 10.081 -7.174 1.00 0.00 O ATOM 770 OD2 ASP A 54 1.685 10.364 -5.021 1.00 0.00 O ATOM 0 H ASP A 54 -2.553 10.914 -5.142 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.782 11.525 -7.151 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.426 12.065 -7.434 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.113 12.263 -5.721 1.00 0.00 H new ATOM 775 N GLY A 55 -1.905 8.598 -7.307 1.00 0.00 N ATOM 776 CA GLY A 55 -2.165 7.500 -8.227 1.00 0.00 C ATOM 777 C GLY A 55 -1.388 6.257 -7.805 1.00 0.00 C ATOM 778 O GLY A 55 -1.809 5.131 -8.064 1.00 0.00 O ATOM 0 H GLY A 55 -2.406 8.529 -6.421 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.232 7.280 -8.248 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.879 7.789 -9.238 1.00 0.00 H new ATOM 782 N GLU A 56 -0.297 6.483 -7.082 1.00 0.00 N ATOM 783 CA GLU A 56 0.406 5.404 -6.397 1.00 0.00 C ATOM 784 C GLU A 56 0.001 5.374 -4.920 1.00 0.00 C ATOM 785 O GLU A 56 -1.013 5.961 -4.543 1.00 0.00 O ATOM 786 CB GLU A 56 1.900 5.638 -6.562 1.00 0.00 C ATOM 787 CG GLU A 56 2.406 6.991 -6.137 1.00 0.00 C ATOM 788 CD GLU A 56 3.804 7.372 -6.542 1.00 0.00 C ATOM 789 OE1 GLU A 56 4.661 6.618 -6.032 1.00 0.00 O ATOM 790 OE2 GLU A 56 4.059 8.196 -7.404 1.00 0.00 O ATOM 0 H GLU A 56 0.121 7.405 -6.955 1.00 0.00 H new ATOM 0 HA GLU A 56 0.145 4.436 -6.825 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.432 4.877 -5.991 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.158 5.488 -7.610 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.725 7.744 -6.533 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.345 7.046 -5.050 1.00 0.00 H new ATOM 797 N ILE A 57 0.659 4.500 -4.166 1.00 0.00 N ATOM 798 CA ILE A 57 0.133 4.039 -2.883 1.00 0.00 C ATOM 799 C ILE A 57 1.267 3.529 -2.000 1.00 0.00 C ATOM 800 O ILE A 57 2.114 2.756 -2.450 1.00 0.00 O ATOM 801 CB ILE A 57 -0.973 2.942 -3.120 1.00 0.00 C ATOM 802 CG1 ILE A 57 -0.321 1.682 -3.745 1.00 0.00 C ATOM 803 CG2 ILE A 57 -2.151 3.465 -3.973 1.00 0.00 C ATOM 804 CD1 ILE A 57 -1.323 0.565 -4.126 1.00 0.00 C ATOM 0 H ILE A 57 1.560 4.095 -4.421 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.335 4.872 -2.359 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.405 2.676 -2.155 1.00 0.00 H new ATOM 0 HG12 ILE A 57 0.231 1.978 -4.637 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.406 1.277 -3.041 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -2.885 2.670 -4.106 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.619 4.310 -3.468 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -1.781 3.784 -4.947 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.782 -0.278 -4.556 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -1.858 0.237 -3.235 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.036 0.949 -4.856 1.00 0.00 H new ATOM 816 N TYR A 58 1.189 3.852 -0.712 1.00 0.00 N ATOM 817 CA TYR A 58 1.919 3.095 0.309 1.00 0.00 C ATOM 818 C TYR A 58 0.975 2.721 1.450 1.00 0.00 C ATOM 819 O TYR A 58 -0.228 2.980 1.374 1.00 0.00 O ATOM 820 CB TYR A 58 3.134 3.882 0.821 1.00 0.00 C ATOM 821 CG TYR A 58 2.811 5.257 1.361 1.00 0.00 C ATOM 822 CD1 TYR A 58 2.590 6.324 0.491 1.00 0.00 C ATOM 823 CD2 TYR A 58 2.694 5.492 2.733 1.00 0.00 C ATOM 824 CE1 TYR A 58 2.300 7.599 0.967 1.00 0.00 C ATOM 825 CE2 TYR A 58 2.419 6.766 3.227 1.00 0.00 C ATOM 826 CZ TYR A 58 2.202 7.814 2.335 1.00 0.00 C ATOM 827 OH TYR A 58 1.863 9.067 2.763 1.00 0.00 O ATOM 0 H TYR A 58 0.633 4.626 -0.349 1.00 0.00 H new ATOM 0 HA TYR A 58 2.299 2.177 -0.140 1.00 0.00 H new ATOM 0 HB2 TYR A 58 3.621 3.303 1.606 1.00 0.00 H new ATOM 0 HB3 TYR A 58 3.853 3.985 0.008 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.645 6.157 -0.575 1.00 0.00 H new ATOM 0 HD2 TYR A 58 2.819 4.671 3.424 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.152 8.416 0.277 1.00 0.00 H new ATOM 0 HE2 TYR A 58 2.375 6.939 4.292 1.00 0.00 H new ATOM 0 HH TYR A 58 1.828 9.080 3.742 1.00 0.00 H new ATOM 837 N CYS A 59 1.486 1.962 2.425 1.00 0.00 N ATOM 838 CA CYS A 59 0.630 1.036 3.176 1.00 0.00 C ATOM 839 C CYS A 59 0.436 1.486 4.608 1.00 0.00 C ATOM 840 O CYS A 59 1.133 2.387 5.099 1.00 0.00 O ATOM 841 CB CYS A 59 1.030 -0.405 2.987 1.00 0.00 C ATOM 842 SG CYS A 59 2.431 -1.077 3.861 1.00 0.00 S ATOM 0 H CYS A 59 2.466 1.968 2.709 1.00 0.00 H new ATOM 0 HA CYS A 59 -0.371 1.075 2.747 1.00 0.00 H new ATOM 0 HB2 CYS A 59 0.165 -1.016 3.247 1.00 0.00 H new ATOM 0 HB3 CYS A 59 1.215 -0.551 1.923 1.00 0.00 H new ATOM 0 HG CYS A 59 3.371 -0.181 3.929 1.00 0.00 H new ATOM 847 N LYS A 60 -0.750 1.168 5.156 1.00 0.00 N ATOM 848 CA LYS A 60 -0.960 1.310 6.596 1.00 0.00 C ATOM 849 C LYS A 60 -0.184 0.221 7.346 1.00 0.00 C ATOM 850 O LYS A 60 0.230 0.438 8.489 1.00 0.00 O ATOM 851 CB LYS A 60 -2.436 1.213 6.970 1.00 0.00 C ATOM 852 CG LYS A 60 -2.766 1.766 8.357 1.00 0.00 C ATOM 853 CD LYS A 60 -3.527 0.782 9.225 1.00 0.00 C ATOM 854 CE LYS A 60 -4.306 1.391 10.315 1.00 0.00 C ATOM 855 NZ LYS A 60 -3.507 2.399 11.057 1.00 0.00 N ATOM 0 H LYS A 60 -1.555 0.820 4.635 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.599 2.299 6.880 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -3.024 1.751 6.227 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.743 0.168 6.925 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.840 2.044 8.860 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.356 2.676 8.248 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -4.203 0.208 8.591 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.817 0.076 9.656 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -5.199 1.863 9.906 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -4.642 0.614 11.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -3.987 2.635 11.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.564 2.011 11.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -3.409 3.258 10.479 1.00 0.00 H new ATOM 869 N GLY A 61 0.340 -0.721 6.566 1.00 0.00 N ATOM 870 CA GLY A 61 1.408 -1.607 6.999 1.00 0.00 C ATOM 871 C GLY A 61 2.700 -0.845 7.241 1.00 0.00 C ATOM 872 O GLY A 61 3.634 -1.358 7.864 1.00 0.00 O ATOM 0 H GLY A 61 0.030 -0.889 5.609 1.00 0.00 H new ATOM 0 HA2 GLY A 61 1.109 -2.119 7.914 1.00 0.00 H new ATOM 0 HA3 GLY A 61 1.573 -2.375 6.244 1.00 0.00 H new ATOM 876 N CYS A 62 2.669 0.459 6.954 1.00 0.00 N ATOM 877 CA CYS A 62 3.907 1.240 6.886 1.00 0.00 C ATOM 878 C CYS A 62 3.805 2.403 7.890 1.00 0.00 C ATOM 879 O CYS A 62 4.499 2.391 8.907 1.00 0.00 O ATOM 880 CB CYS A 62 4.139 1.774 5.477 1.00 0.00 C ATOM 881 SG CYS A 62 5.439 0.945 4.534 1.00 0.00 S ATOM 0 H CYS A 62 1.817 0.989 6.768 1.00 0.00 H new ATOM 0 HA CYS A 62 4.754 0.601 7.138 1.00 0.00 H new ATOM 0 HB2 CYS A 62 3.205 1.697 4.920 1.00 0.00 H new ATOM 0 HB3 CYS A 62 4.383 2.834 5.545 1.00 0.00 H new ATOM 0 HG CYS A 62 5.535 1.489 3.357 1.00 0.00 H new ATOM 886 N TYR A 63 2.679 3.107 7.791 1.00 0.00 N ATOM 887 CA TYR A 63 2.245 4.030 8.828 1.00 0.00 C ATOM 888 C TYR A 63 2.046 3.288 10.151 1.00 0.00 C ATOM 889 O TYR A 63 2.151 3.884 11.222 1.00 0.00 O ATOM 890 CB TYR A 63 0.953 4.764 8.414 1.00 0.00 C ATOM 891 CG TYR A 63 0.810 6.150 9.000 1.00 0.00 C ATOM 892 CD1 TYR A 63 0.333 6.321 10.299 1.00 0.00 C ATOM 893 CD2 TYR A 63 1.246 7.282 8.306 1.00 0.00 C ATOM 894 CE1 TYR A 63 0.207 7.586 10.863 1.00 0.00 C ATOM 895 CE2 TYR A 63 1.130 8.556 8.857 1.00 0.00 C ATOM 896 CZ TYR A 63 0.594 8.703 10.135 1.00 0.00 C ATOM 897 OH TYR A 63 0.412 9.932 10.703 1.00 0.00 O ATOM 0 H TYR A 63 2.047 3.052 6.992 1.00 0.00 H new ATOM 0 HA TYR A 63 3.024 4.780 8.964 1.00 0.00 H new ATOM 0 HB2 TYR A 63 0.923 4.837 7.327 1.00 0.00 H new ATOM 0 HB3 TYR A 63 0.095 4.164 8.717 1.00 0.00 H new ATOM 0 HD1 TYR A 63 0.056 5.453 10.879 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.681 7.167 7.324 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -0.189 7.699 11.861 1.00 0.00 H new ATOM 0 HE2 TYR A 63 1.453 9.422 8.299 1.00 0.00 H new ATOM 0 HH TYR A 63 0.726 10.627 10.087 1.00 0.00 H new ATOM 907 N ALA A 64 2.045 1.962 10.054 1.00 0.00 N ATOM 908 CA ALA A 64 2.126 1.098 11.222 1.00 0.00 C ATOM 909 C ALA A 64 3.579 0.733 11.513 1.00 0.00 C ATOM 910 O ALA A 64 4.072 0.945 12.619 1.00 0.00 O ATOM 911 CB ALA A 64 1.279 -0.154 11.016 1.00 0.00 C ATOM 0 H ALA A 64 1.988 1.460 9.168 1.00 0.00 H new ATOM 0 HA ALA A 64 1.732 1.636 12.084 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.350 -0.790 11.898 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.239 0.132 10.857 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.642 -0.700 10.145 1.00 0.00 H new ATOM 917 N LYS A 65 4.206 0.065 10.549 1.00 0.00 N ATOM 918 CA LYS A 65 5.479 -0.606 10.779 1.00 0.00 C ATOM 919 C LYS A 65 6.544 0.406 11.198 1.00 0.00 C ATOM 920 O LYS A 65 7.497 0.056 11.896 1.00 0.00 O ATOM 921 CB LYS A 65 5.962 -1.350 9.534 1.00 0.00 C ATOM 922 CG LYS A 65 7.276 -2.106 9.732 1.00 0.00 C ATOM 923 CD LYS A 65 7.078 -3.593 9.964 1.00 0.00 C ATOM 924 CE LYS A 65 8.078 -4.459 9.320 1.00 0.00 C ATOM 925 NZ LYS A 65 7.804 -4.622 7.870 1.00 0.00 N ATOM 0 H LYS A 65 3.850 -0.025 9.597 1.00 0.00 H new ATOM 0 HA LYS A 65 5.320 -1.332 11.576 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.192 -2.056 9.224 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.085 -0.635 8.721 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.907 -1.962 8.855 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.809 -1.680 10.582 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.091 -3.783 11.037 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.089 -3.874 9.602 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.072 -4.034 9.458 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.080 -5.436 9.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.527 -5.238 7.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.865 -5.051 7.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.827 -3.692 7.406 1.00 0.00 H new ATOM 939 N ASN A 66 6.228 1.679 10.985 1.00 0.00 N ATOM 940 CA ASN A 66 7.024 2.776 11.515 1.00 0.00 C ATOM 941 C ASN A 66 6.149 3.725 12.328 1.00 0.00 C ATOM 942 O ASN A 66 6.167 4.936 12.112 1.00 0.00 O ATOM 943 CB ASN A 66 7.840 3.461 10.422 1.00 0.00 C ATOM 944 CG ASN A 66 7.011 3.865 9.218 1.00 0.00 C ATOM 945 OD1 ASN A 66 7.130 3.271 8.136 1.00 0.00 O ATOM 946 ND2 ASN A 66 6.199 4.909 9.384 1.00 0.00 N ATOM 0 H ASN A 66 5.417 1.977 10.443 1.00 0.00 H new ATOM 0 HA ASN A 66 7.765 2.375 12.207 1.00 0.00 H new ATOM 0 HB2 ASN A 66 8.320 4.347 10.838 1.00 0.00 H new ATOM 0 HB3 ASN A 66 8.636 2.790 10.098 1.00 0.00 H new ATOM 0 HD21 ASN A 66 5.642 5.251 8.601 1.00 0.00 H new ATOM 0 HD22 ASN A 66 6.135 5.365 10.294 1.00 0.00 H new