USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 487 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 -149:sc= -0.278 USER MOD Set 1.2: A 42 CYS SG : rot 73:sc= 0.273 USER MOD Set 1.3: A 69 CYS SG : rot 164:sc= -0.128 USER MOD Set 1.4: A 72 CYS SG : rot 145:sc= -1.22 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 GLN : amide:sc= -0.334 X(o=-0.33,f=-0.44) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -1.04 X(o=-1,f=-0.62) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.372 USER MOD Single : A 41 SER OG : rot 170:sc= -0.0443 USER MOD Single : A 46 HIS : no HD1:sc= -0.336 K(o=-0.34,f=-1.5) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot -165:sc= 0.26 USER MOD Single : A 57 ASN : amide:sc= -0.335 K(o=-0.33,f=-5.1!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.159) USER MOD Single : A 73 GLN : amide:sc= -0.218 X(o=-0.22,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 131 N ASP A 9 7.822 13.897 -1.865 1.00 0.00 N ATOM 132 CA ASP A 9 7.231 13.156 -0.741 1.00 0.00 C ATOM 133 C ASP A 9 5.889 13.779 -0.299 1.00 0.00 C ATOM 134 O ASP A 9 5.058 13.113 0.325 1.00 0.00 O ATOM 135 CB ASP A 9 8.236 13.104 0.429 1.00 0.00 C ATOM 136 CG ASP A 9 8.794 14.483 0.804 1.00 0.00 C ATOM 137 OD1 ASP A 9 7.974 15.416 0.954 1.00 0.00 O ATOM 138 OD2 ASP A 9 10.034 14.583 0.935 1.00 0.00 O ATOM 0 HA ASP A 9 7.017 12.138 -1.067 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.748 12.667 1.300 1.00 0.00 H new ATOM 0 HB3 ASP A 9 9.062 12.445 0.162 1.00 0.00 H new ATOM 143 N ASP A 10 5.663 15.059 -0.651 1.00 0.00 N ATOM 144 CA ASP A 10 4.343 15.709 -0.680 1.00 0.00 C ATOM 145 C ASP A 10 3.279 14.774 -1.288 1.00 0.00 C ATOM 146 O ASP A 10 2.406 14.239 -0.593 1.00 0.00 O ATOM 147 CB ASP A 10 4.452 17.038 -1.462 1.00 0.00 C ATOM 148 CG ASP A 10 5.283 18.103 -0.738 1.00 0.00 C ATOM 149 OD1 ASP A 10 4.989 18.353 0.453 1.00 0.00 O ATOM 150 OD2 ASP A 10 6.206 18.646 -1.383 1.00 0.00 O ATOM 0 H ASP A 10 6.417 15.686 -0.931 1.00 0.00 H new ATOM 0 HA ASP A 10 4.022 15.927 0.339 1.00 0.00 H new ATOM 0 HB2 ASP A 10 4.897 16.842 -2.438 1.00 0.00 H new ATOM 0 HB3 ASP A 10 3.450 17.429 -1.641 1.00 0.00 H new ATOM 155 N GLN A 11 3.331 14.580 -2.626 1.00 0.00 N ATOM 156 CA GLN A 11 2.267 13.928 -3.404 1.00 0.00 C ATOM 157 C GLN A 11 2.377 12.394 -3.297 1.00 0.00 C ATOM 158 O GLN A 11 1.408 11.684 -3.575 1.00 0.00 O ATOM 159 CB GLN A 11 2.334 14.388 -4.878 1.00 0.00 C ATOM 160 CG GLN A 11 3.112 15.697 -5.102 1.00 0.00 C ATOM 161 CD GLN A 11 2.564 16.592 -6.223 1.00 0.00 C ATOM 162 OE1 GLN A 11 1.577 17.296 -6.016 1.00 0.00 O ATOM 163 NE2 GLN A 11 3.188 16.590 -7.404 1.00 0.00 N ATOM 0 H GLN A 11 4.123 14.877 -3.196 1.00 0.00 H new ATOM 0 HA GLN A 11 1.300 14.221 -2.994 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.796 13.599 -5.471 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.318 14.515 -5.253 1.00 0.00 H new ATOM 0 HG2 GLN A 11 3.114 16.265 -4.172 1.00 0.00 H new ATOM 0 HG3 GLN A 11 4.150 15.452 -5.328 1.00 0.00 H new ATOM 0 HE21 GLN A 11 4.005 15.996 -7.548 1.00 0.00 H new ATOM 0 HE22 GLN A 11 2.848 17.182 -8.162 1.00 0.00 H new ATOM 172 N ARG A 12 3.545 11.868 -2.865 1.00 0.00 N ATOM 173 CA ARG A 12 3.688 10.515 -2.308 1.00 0.00 C ATOM 174 C ARG A 12 2.531 10.246 -1.304 1.00 0.00 C ATOM 175 O ARG A 12 1.728 9.327 -1.437 1.00 0.00 O ATOM 176 CB ARG A 12 5.033 10.354 -1.574 1.00 0.00 C ATOM 177 CG ARG A 12 6.279 10.297 -2.463 1.00 0.00 C ATOM 178 CD ARG A 12 6.268 9.122 -3.445 1.00 0.00 C ATOM 179 NE ARG A 12 7.254 8.096 -3.074 1.00 0.00 N ATOM 180 CZ ARG A 12 8.574 8.284 -2.896 1.00 0.00 C ATOM 181 NH1 ARG A 12 9.119 9.510 -2.901 1.00 0.00 N ATOM 182 NH2 ARG A 12 9.367 7.217 -2.713 1.00 0.00 N ATOM 0 H ARG A 12 4.424 12.384 -2.896 1.00 0.00 H new ATOM 0 HA ARG A 12 3.653 9.802 -3.132 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.146 11.184 -0.877 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.993 9.441 -0.979 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.361 11.229 -3.023 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.165 10.226 -1.832 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.273 8.678 -3.471 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.481 9.485 -4.450 1.00 0.00 H new ATOM 0 HE ARG A 12 6.902 7.148 -2.938 1.00 0.00 H new ATOM 0 HH11 ARG A 12 8.529 10.330 -3.042 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.123 9.622 -2.763 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.967 6.279 -2.710 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.370 7.344 -2.577 1.00 0.00 H new ATOM 196 N TRP A 13 2.481 11.146 -0.279 1.00 0.00 N ATOM 197 CA TRP A 13 1.444 11.113 0.759 1.00 0.00 C ATOM 198 C TRP A 13 0.072 11.548 0.203 1.00 0.00 C ATOM 199 O TRP A 13 -0.961 11.225 0.798 1.00 0.00 O ATOM 200 CB TRP A 13 1.830 11.981 1.981 1.00 0.00 C ATOM 201 CG TRP A 13 1.041 11.641 3.221 1.00 0.00 C ATOM 202 CD1 TRP A 13 0.180 12.450 3.878 1.00 0.00 C ATOM 203 CD2 TRP A 13 0.976 10.350 3.906 1.00 0.00 C ATOM 204 NE1 TRP A 13 -0.430 11.759 4.904 1.00 0.00 N ATOM 205 CE2 TRP A 13 0.016 10.454 4.965 1.00 0.00 C ATOM 206 CE3 TRP A 13 1.620 9.099 3.740 1.00 0.00 C ATOM 207 CZ2 TRP A 13 -0.310 9.361 5.788 1.00 0.00 C ATOM 208 CZ3 TRP A 13 1.368 8.023 4.624 1.00 0.00 C ATOM 209 CH2 TRP A 13 0.404 8.153 5.644 1.00 0.00 C ATOM 0 H TRP A 13 3.157 11.901 -0.163 1.00 0.00 H new ATOM 0 HA TRP A 13 1.364 10.078 1.092 1.00 0.00 H new ATOM 0 HB2 TRP A 13 2.893 11.855 2.188 1.00 0.00 H new ATOM 0 HB3 TRP A 13 1.676 13.032 1.736 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -0.003 13.486 3.635 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -1.122 12.161 5.537 1.00 0.00 H new ATOM 0 HE3 TRP A 13 2.315 8.964 2.925 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -1.098 9.446 6.522 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 1.916 7.099 4.517 1.00 0.00 H new ATOM 0 HH2 TRP A 13 0.212 7.329 6.315 1.00 0.00 H new ATOM 220 N GLN A 14 0.047 12.264 -0.947 1.00 0.00 N ATOM 221 CA GLN A 14 -1.196 12.524 -1.702 1.00 0.00 C ATOM 222 C GLN A 14 -1.796 11.201 -2.225 1.00 0.00 C ATOM 223 O GLN A 14 -2.950 10.884 -1.921 1.00 0.00 O ATOM 224 CB GLN A 14 -0.923 13.516 -2.852 1.00 0.00 C ATOM 225 CG GLN A 14 -2.179 14.283 -3.315 1.00 0.00 C ATOM 226 CD GLN A 14 -3.220 13.439 -4.066 1.00 0.00 C ATOM 227 OE1 GLN A 14 -2.855 12.671 -4.955 1.00 0.00 O ATOM 228 NE2 GLN A 14 -4.509 13.561 -3.733 1.00 0.00 N ATOM 0 H GLN A 14 0.880 12.672 -1.371 1.00 0.00 H new ATOM 0 HA GLN A 14 -1.929 12.978 -1.035 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.167 14.233 -2.531 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.507 12.972 -3.700 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -2.656 14.727 -2.442 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -1.867 15.104 -3.960 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -4.786 14.205 -2.992 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -5.216 13.010 -4.220 1.00 0.00 H new ATOM 237 N SER A 15 -1.028 10.434 -3.024 1.00 0.00 N ATOM 238 CA SER A 15 -1.427 9.119 -3.561 1.00 0.00 C ATOM 239 C SER A 15 -1.750 8.092 -2.445 1.00 0.00 C ATOM 240 O SER A 15 -2.525 7.160 -2.654 1.00 0.00 O ATOM 241 CB SER A 15 -0.336 8.582 -4.506 1.00 0.00 C ATOM 242 OG SER A 15 -0.883 8.086 -5.712 1.00 0.00 O ATOM 0 H SER A 15 -0.094 10.718 -3.320 1.00 0.00 H new ATOM 0 HA SER A 15 -2.349 9.262 -4.124 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.375 9.377 -4.729 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.220 7.789 -4.006 1.00 0.00 H new ATOM 0 HG SER A 15 -0.161 7.756 -6.287 1.00 0.00 H new ATOM 248 N VAL A 16 -1.149 8.303 -1.255 1.00 0.00 N ATOM 249 CA VAL A 16 -1.251 7.451 -0.063 1.00 0.00 C ATOM 250 C VAL A 16 -2.440 7.903 0.812 1.00 0.00 C ATOM 251 O VAL A 16 -3.047 7.087 1.509 1.00 0.00 O ATOM 252 CB VAL A 16 0.081 7.488 0.732 1.00 0.00 C ATOM 253 CG1 VAL A 16 -0.121 7.161 2.224 1.00 0.00 C ATOM 254 CG2 VAL A 16 1.127 6.504 0.172 1.00 0.00 C ATOM 0 H VAL A 16 -0.551 9.114 -1.097 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.432 6.421 -0.370 1.00 0.00 H new ATOM 0 HB VAL A 16 0.444 8.510 0.624 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.839 7.199 2.738 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.800 7.890 2.668 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.546 6.162 2.323 1.00 0.00 H new ATOM 0 HG21 VAL A 16 2.040 6.569 0.763 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.734 5.488 0.221 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.347 6.758 -0.865 1.00 0.00 H new ATOM 264 N LEU A 17 -2.763 9.212 0.789 1.00 0.00 N ATOM 265 CA LEU A 17 -3.968 9.809 1.380 1.00 0.00 C ATOM 266 C LEU A 17 -5.217 9.476 0.532 1.00 0.00 C ATOM 267 O LEU A 17 -6.288 9.202 1.074 1.00 0.00 O ATOM 268 CB LEU A 17 -3.803 11.340 1.484 1.00 0.00 C ATOM 269 CG LEU A 17 -3.155 11.849 2.789 1.00 0.00 C ATOM 270 CD1 LEU A 17 -3.433 13.354 2.939 1.00 0.00 C ATOM 271 CD2 LEU A 17 -3.691 11.114 4.028 1.00 0.00 C ATOM 0 H LEU A 17 -2.165 9.906 0.340 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.103 9.391 2.378 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.201 11.681 0.642 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.785 11.802 1.382 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.084 11.656 2.724 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.977 13.718 3.860 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.010 13.889 2.088 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.509 13.523 2.975 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.206 11.506 4.922 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.768 11.265 4.103 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.480 10.048 3.939 1.00 0.00 H new ATOM 283 N ALA A 18 -5.056 9.489 -0.807 1.00 0.00 N ATOM 284 CA ALA A 18 -6.034 9.043 -1.809 1.00 0.00 C ATOM 285 C ALA A 18 -6.321 7.531 -1.666 1.00 0.00 C ATOM 286 O ALA A 18 -7.218 7.006 -2.326 1.00 0.00 O ATOM 287 CB ALA A 18 -5.522 9.362 -3.223 1.00 0.00 C ATOM 0 H ALA A 18 -4.195 9.829 -1.236 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.968 9.580 -1.642 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.253 9.028 -3.959 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.373 10.437 -3.322 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.576 8.847 -3.392 1.00 0.00 H new ATOM 293 N ARG A 19 -5.538 6.846 -0.807 1.00 0.00 N ATOM 294 CA ARG A 19 -5.758 5.464 -0.360 1.00 0.00 C ATOM 295 C ARG A 19 -5.764 4.485 -1.557 1.00 0.00 C ATOM 296 O ARG A 19 -6.337 3.399 -1.470 1.00 0.00 O ATOM 297 CB ARG A 19 -7.054 5.370 0.473 1.00 0.00 C ATOM 298 CG ARG A 19 -8.333 5.358 -0.380 1.00 0.00 C ATOM 299 CD ARG A 19 -9.491 4.688 0.374 1.00 0.00 C ATOM 300 NE ARG A 19 -10.730 5.473 0.263 1.00 0.00 N ATOM 301 CZ ARG A 19 -10.932 6.696 0.790 1.00 0.00 C ATOM 302 NH1 ARG A 19 -9.975 7.322 1.495 1.00 0.00 N ATOM 303 NH2 ARG A 19 -12.112 7.305 0.607 1.00 0.00 N ATOM 0 H ARG A 19 -4.704 7.261 -0.392 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.929 5.169 0.284 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.022 4.464 1.078 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.095 6.213 1.163 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -8.608 6.379 -0.643 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.147 4.827 -1.314 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -9.656 3.687 -0.025 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -9.225 4.573 1.425 1.00 0.00 H new ATOM 0 HE ARG A 19 -11.502 5.056 -0.257 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -9.072 6.871 1.641 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -10.152 8.248 1.884 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -12.847 6.842 0.073 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -12.275 8.231 1.002 1.00 0.00 H new ATOM 317 N ASP A 20 -5.103 4.878 -2.663 1.00 0.00 N ATOM 318 CA ASP A 20 -5.109 4.189 -3.961 1.00 0.00 C ATOM 319 C ASP A 20 -4.550 2.750 -3.824 1.00 0.00 C ATOM 320 O ASP A 20 -3.329 2.578 -3.863 1.00 0.00 O ATOM 321 CB ASP A 20 -4.296 5.018 -4.980 1.00 0.00 C ATOM 322 CG ASP A 20 -4.327 4.440 -6.399 1.00 0.00 C ATOM 323 OD1 ASP A 20 -5.262 4.801 -7.148 1.00 0.00 O ATOM 324 OD2 ASP A 20 -3.411 3.650 -6.717 1.00 0.00 O ATOM 0 H ASP A 20 -4.527 5.720 -2.673 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.134 4.100 -4.320 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.685 6.036 -5.002 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.261 5.080 -4.643 1.00 0.00 H new ATOM 329 N PRO A 21 -5.399 1.709 -3.649 1.00 0.00 N ATOM 330 CA PRO A 21 -4.986 0.361 -3.221 1.00 0.00 C ATOM 331 C PRO A 21 -4.066 -0.344 -4.245 1.00 0.00 C ATOM 332 O PRO A 21 -3.472 -1.378 -3.937 1.00 0.00 O ATOM 333 CB PRO A 21 -6.281 -0.440 -3.004 1.00 0.00 C ATOM 334 CG PRO A 21 -7.371 0.622 -2.887 1.00 0.00 C ATOM 335 CD PRO A 21 -6.850 1.734 -3.799 1.00 0.00 C ATOM 0 HA PRO A 21 -4.393 0.430 -2.309 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -6.474 -1.117 -3.837 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -6.224 -1.051 -2.103 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -8.340 0.247 -3.217 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -7.495 0.965 -1.860 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.141 1.561 -4.835 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.258 2.703 -3.511 1.00 0.00 H new ATOM 343 N ASN A 22 -3.972 0.214 -5.468 1.00 0.00 N ATOM 344 CA ASN A 22 -3.349 -0.384 -6.658 1.00 0.00 C ATOM 345 C ASN A 22 -1.913 0.144 -6.858 1.00 0.00 C ATOM 346 O ASN A 22 -1.339 0.007 -7.940 1.00 0.00 O ATOM 347 CB ASN A 22 -4.210 -0.072 -7.901 1.00 0.00 C ATOM 348 CG ASN A 22 -3.708 -0.747 -9.184 1.00 0.00 C ATOM 349 OD1 ASN A 22 -3.748 -0.153 -10.260 1.00 0.00 O ATOM 350 ND2 ASN A 22 -3.228 -1.988 -9.076 1.00 0.00 N ATOM 0 H ASN A 22 -4.349 1.142 -5.659 1.00 0.00 H new ATOM 0 HA ASN A 22 -3.291 -1.463 -6.516 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.235 -0.390 -7.711 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -4.234 1.007 -8.054 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -2.879 -2.474 -9.902 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -3.210 -2.451 -8.167 1.00 0.00 H new ATOM 357 N ALA A 23 -1.323 0.736 -5.799 1.00 0.00 N ATOM 358 CA ALA A 23 0.039 1.288 -5.778 1.00 0.00 C ATOM 359 C ALA A 23 1.001 0.371 -4.993 1.00 0.00 C ATOM 360 O ALA A 23 2.072 0.811 -4.570 1.00 0.00 O ATOM 361 CB ALA A 23 0.019 2.699 -5.168 1.00 0.00 C ATOM 0 H ALA A 23 -1.803 0.844 -4.905 1.00 0.00 H new ATOM 0 HA ALA A 23 0.403 1.348 -6.804 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.031 3.104 -5.155 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.623 3.345 -5.767 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.366 2.650 -4.149 1.00 0.00 H new ATOM 367 N ASP A 24 0.625 -0.911 -4.813 1.00 0.00 N ATOM 368 CA ASP A 24 1.421 -1.942 -4.127 1.00 0.00 C ATOM 369 C ASP A 24 2.710 -2.300 -4.905 1.00 0.00 C ATOM 370 O ASP A 24 3.522 -3.091 -4.420 1.00 0.00 O ATOM 371 CB ASP A 24 0.537 -3.191 -3.902 1.00 0.00 C ATOM 372 CG ASP A 24 0.494 -4.129 -5.114 1.00 0.00 C ATOM 373 OD1 ASP A 24 0.617 -3.609 -6.245 1.00 0.00 O ATOM 374 OD2 ASP A 24 0.345 -5.351 -4.892 1.00 0.00 O ATOM 0 H ASP A 24 -0.269 -1.266 -5.152 1.00 0.00 H new ATOM 0 HA ASP A 24 1.747 -1.546 -3.165 1.00 0.00 H new ATOM 0 HB2 ASP A 24 0.910 -3.741 -3.038 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.477 -2.872 -3.662 1.00 0.00 H new ATOM 379 N GLY A 25 2.900 -1.704 -6.097 1.00 0.00 N ATOM 380 CA GLY A 25 4.085 -1.856 -6.951 1.00 0.00 C ATOM 381 C GLY A 25 4.759 -0.502 -7.259 1.00 0.00 C ATOM 382 O GLY A 25 5.950 -0.459 -7.575 1.00 0.00 O ATOM 0 H GLY A 25 2.203 -1.080 -6.504 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.802 -2.514 -6.460 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.798 -2.338 -7.886 1.00 0.00 H new ATOM 386 N GLU A 26 3.991 0.602 -7.184 1.00 0.00 N ATOM 387 CA GLU A 26 4.442 1.981 -7.423 1.00 0.00 C ATOM 388 C GLU A 26 5.430 2.427 -6.324 1.00 0.00 C ATOM 389 O GLU A 26 6.367 3.181 -6.589 1.00 0.00 O ATOM 390 CB GLU A 26 3.222 2.923 -7.496 1.00 0.00 C ATOM 391 CG GLU A 26 2.652 3.044 -8.923 1.00 0.00 C ATOM 392 CD GLU A 26 3.463 3.960 -9.847 1.00 0.00 C ATOM 393 OE1 GLU A 26 3.719 5.122 -9.458 1.00 0.00 O ATOM 394 OE2 GLU A 26 3.815 3.473 -10.944 1.00 0.00 O ATOM 0 H GLU A 26 3.000 0.552 -6.946 1.00 0.00 H new ATOM 0 HA GLU A 26 4.969 2.025 -8.376 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.443 2.556 -6.828 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.509 3.912 -7.138 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.602 2.050 -9.368 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.630 3.419 -8.864 1.00 0.00 H new ATOM 401 N PHE A 27 5.218 1.935 -5.083 1.00 0.00 N ATOM 402 CA PHE A 27 6.073 2.185 -3.915 1.00 0.00 C ATOM 403 C PHE A 27 5.585 1.403 -2.673 1.00 0.00 C ATOM 404 O PHE A 27 4.592 0.679 -2.731 1.00 0.00 O ATOM 405 CB PHE A 27 6.105 3.694 -3.595 1.00 0.00 C ATOM 406 CG PHE A 27 4.746 4.381 -3.548 1.00 0.00 C ATOM 407 CD1 PHE A 27 4.014 4.420 -2.335 1.00 0.00 C ATOM 408 CD2 PHE A 27 4.199 4.974 -4.709 1.00 0.00 C ATOM 409 CE1 PHE A 27 2.765 5.072 -2.280 1.00 0.00 C ATOM 410 CE2 PHE A 27 2.966 5.659 -4.643 1.00 0.00 C ATOM 411 CZ PHE A 27 2.246 5.703 -3.431 1.00 0.00 C ATOM 0 H PHE A 27 4.422 1.336 -4.867 1.00 0.00 H new ATOM 0 HA PHE A 27 7.077 1.839 -4.161 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.597 3.834 -2.633 1.00 0.00 H new ATOM 0 HB3 PHE A 27 6.720 4.194 -4.343 1.00 0.00 H new ATOM 0 HD1 PHE A 27 4.414 3.949 -1.450 1.00 0.00 H new ATOM 0 HD2 PHE A 27 4.726 4.903 -5.649 1.00 0.00 H new ATOM 0 HE1 PHE A 27 2.205 5.089 -1.357 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.574 6.150 -5.522 1.00 0.00 H new ATOM 0 HZ PHE A 27 1.298 6.219 -3.384 1.00 0.00 H new ATOM 421 N VAL A 28 6.289 1.590 -1.536 1.00 0.00 N ATOM 422 CA VAL A 28 5.827 1.299 -0.171 1.00 0.00 C ATOM 423 C VAL A 28 6.106 2.517 0.736 1.00 0.00 C ATOM 424 O VAL A 28 6.816 3.440 0.323 1.00 0.00 O ATOM 425 CB VAL A 28 6.498 0.012 0.386 1.00 0.00 C ATOM 426 CG1 VAL A 28 6.472 -1.134 -0.645 1.00 0.00 C ATOM 427 CG2 VAL A 28 7.959 0.227 0.820 1.00 0.00 C ATOM 0 H VAL A 28 7.237 1.965 -1.551 1.00 0.00 H new ATOM 0 HA VAL A 28 4.753 1.115 -0.191 1.00 0.00 H new ATOM 0 HB VAL A 28 5.908 -0.252 1.264 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.950 -2.017 -0.220 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.439 -1.369 -0.902 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.009 -0.828 -1.543 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.368 -0.710 1.199 1.00 0.00 H new ATOM 0 HG22 VAL A 28 8.547 0.560 -0.035 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.998 0.983 1.604 1.00 0.00 H new ATOM 437 N PHE A 29 5.541 2.547 1.962 1.00 0.00 N ATOM 438 CA PHE A 29 5.775 3.598 2.967 1.00 0.00 C ATOM 439 C PHE A 29 5.991 2.986 4.371 1.00 0.00 C ATOM 440 O PHE A 29 5.465 1.915 4.673 1.00 0.00 O ATOM 441 CB PHE A 29 4.603 4.602 2.989 1.00 0.00 C ATOM 442 CG PHE A 29 3.342 4.160 3.719 1.00 0.00 C ATOM 443 CD1 PHE A 29 3.237 4.316 5.119 1.00 0.00 C ATOM 444 CD2 PHE A 29 2.249 3.627 2.993 1.00 0.00 C ATOM 445 CE1 PHE A 29 2.016 4.042 5.773 1.00 0.00 C ATOM 446 CE2 PHE A 29 1.025 3.372 3.644 1.00 0.00 C ATOM 447 CZ PHE A 29 0.904 3.591 5.032 1.00 0.00 C ATOM 0 H PHE A 29 4.897 1.825 2.284 1.00 0.00 H new ATOM 0 HA PHE A 29 6.683 4.133 2.688 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.955 5.527 3.446 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.336 4.837 1.959 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.092 4.645 5.690 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.353 3.416 1.939 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.934 4.178 6.841 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.179 3.009 3.079 1.00 0.00 H new ATOM 0 HZ PHE A 29 -0.039 3.413 5.527 1.00 0.00 H new ATOM 457 N ALA A 30 6.799 3.667 5.209 1.00 0.00 N ATOM 458 CA ALA A 30 7.459 3.124 6.405 1.00 0.00 C ATOM 459 C ALA A 30 7.291 4.059 7.623 1.00 0.00 C ATOM 460 O ALA A 30 7.916 5.122 7.675 1.00 0.00 O ATOM 461 CB ALA A 30 8.951 2.892 6.110 1.00 0.00 C ATOM 0 H ALA A 30 7.016 4.653 5.061 1.00 0.00 H new ATOM 0 HA ALA A 30 6.984 2.175 6.655 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.439 2.489 6.998 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.053 2.185 5.287 1.00 0.00 H new ATOM 0 HB3 ALA A 30 9.419 3.837 5.836 1.00 0.00 H new ATOM 467 N VAL A 31 6.470 3.656 8.612 1.00 0.00 N ATOM 468 CA VAL A 31 6.285 4.343 9.898 1.00 0.00 C ATOM 469 C VAL A 31 7.382 3.908 10.894 1.00 0.00 C ATOM 470 O VAL A 31 7.309 2.816 11.460 1.00 0.00 O ATOM 471 CB VAL A 31 4.867 4.054 10.460 1.00 0.00 C ATOM 472 CG1 VAL A 31 4.614 4.785 11.792 1.00 0.00 C ATOM 473 CG2 VAL A 31 3.752 4.463 9.481 1.00 0.00 C ATOM 0 H VAL A 31 5.900 2.814 8.532 1.00 0.00 H new ATOM 0 HA VAL A 31 6.374 5.419 9.746 1.00 0.00 H new ATOM 0 HB VAL A 31 4.838 2.975 10.615 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.610 4.554 12.149 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.346 4.458 12.531 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.707 5.860 11.640 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.781 4.240 9.922 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.821 5.531 9.277 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.864 3.908 8.550 1.00 0.00 H new ATOM 483 N ARG A 32 8.389 4.775 11.116 1.00 0.00 N ATOM 484 CA ARG A 32 9.638 4.473 11.830 1.00 0.00 C ATOM 485 C ARG A 32 9.359 3.996 13.272 1.00 0.00 C ATOM 486 O ARG A 32 10.127 3.207 13.824 1.00 0.00 O ATOM 487 CB ARG A 32 10.545 5.721 11.818 1.00 0.00 C ATOM 488 CG ARG A 32 12.023 5.378 11.568 1.00 0.00 C ATOM 489 CD ARG A 32 12.722 6.460 10.732 1.00 0.00 C ATOM 490 NE ARG A 32 14.001 6.855 11.343 1.00 0.00 N ATOM 491 CZ ARG A 32 14.161 7.770 12.317 1.00 0.00 C ATOM 492 NH1 ARG A 32 13.114 8.426 12.840 1.00 0.00 N ATOM 493 NH2 ARG A 32 15.394 8.035 12.774 1.00 0.00 N ATOM 0 H ARG A 32 8.350 5.740 10.789 1.00 0.00 H new ATOM 0 HA ARG A 32 10.150 3.657 11.320 1.00 0.00 H new ATOM 0 HB2 ARG A 32 10.200 6.408 11.046 1.00 0.00 H new ATOM 0 HB3 ARG A 32 10.453 6.241 12.772 1.00 0.00 H new ATOM 0 HG2 ARG A 32 12.537 5.266 12.522 1.00 0.00 H new ATOM 0 HG3 ARG A 32 12.093 4.419 11.054 1.00 0.00 H new ATOM 0 HD2 ARG A 32 12.897 6.088 9.722 1.00 0.00 H new ATOM 0 HD3 ARG A 32 12.073 7.331 10.643 1.00 0.00 H new ATOM 0 HE ARG A 32 14.842 6.394 10.997 1.00 0.00 H new ATOM 0 HH11 ARG A 32 12.171 8.236 12.500 1.00 0.00 H new ATOM 0 HH12 ARG A 32 13.261 9.115 13.578 1.00 0.00 H new ATOM 0 HH21 ARG A 32 16.199 7.545 12.384 1.00 0.00 H new ATOM 0 HH22 ARG A 32 15.527 8.727 13.512 1.00 0.00 H new ATOM 507 N THR A 33 8.268 4.496 13.884 1.00 0.00 N ATOM 508 CA THR A 33 8.000 4.445 15.329 1.00 0.00 C ATOM 509 C THR A 33 7.462 3.057 15.739 1.00 0.00 C ATOM 510 O THR A 33 7.700 2.608 16.863 1.00 0.00 O ATOM 511 CB THR A 33 7.012 5.572 15.720 1.00 0.00 C ATOM 512 OG1 THR A 33 7.110 5.854 17.104 1.00 0.00 O ATOM 513 CG2 THR A 33 5.546 5.223 15.411 1.00 0.00 C ATOM 0 H THR A 33 7.524 4.963 13.365 1.00 0.00 H new ATOM 0 HA THR A 33 8.934 4.604 15.869 1.00 0.00 H new ATOM 0 HB THR A 33 7.294 6.437 15.120 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.482 6.569 17.337 1.00 0.00 H new ATOM 0 HG21 THR A 33 4.904 6.052 15.708 1.00 0.00 H new ATOM 0 HG22 THR A 33 5.433 5.041 14.342 1.00 0.00 H new ATOM 0 HG23 THR A 33 5.261 4.328 15.964 1.00 0.00 H new ATOM 521 N THR A 34 6.755 2.370 14.821 1.00 0.00 N ATOM 522 CA THR A 34 6.442 0.934 14.881 1.00 0.00 C ATOM 523 C THR A 34 7.394 0.115 13.982 1.00 0.00 C ATOM 524 O THR A 34 7.338 -1.117 13.986 1.00 0.00 O ATOM 525 CB THR A 34 4.962 0.702 14.485 1.00 0.00 C ATOM 526 OG1 THR A 34 4.560 -0.609 14.834 1.00 0.00 O ATOM 527 CG2 THR A 34 4.705 0.891 12.980 1.00 0.00 C ATOM 0 H THR A 34 6.374 2.819 13.988 1.00 0.00 H new ATOM 0 HA THR A 34 6.589 0.589 15.904 1.00 0.00 H new ATOM 0 HB THR A 34 4.386 1.450 15.029 1.00 0.00 H new ATOM 0 HG1 THR A 34 3.623 -0.742 14.580 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.651 0.715 12.766 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.969 1.908 12.691 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.313 0.184 12.415 1.00 0.00 H new ATOM 535 N GLY A 35 8.273 0.799 13.232 1.00 0.00 N ATOM 536 CA GLY A 35 9.234 0.218 12.246 1.00 0.00 C ATOM 537 C GLY A 35 8.498 -0.829 11.384 1.00 0.00 C ATOM 538 O GLY A 35 9.058 -1.840 10.966 1.00 0.00 O ATOM 0 H GLY A 35 8.346 1.815 13.289 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.646 1.004 11.613 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.073 -0.245 12.766 1.00 0.00 H new ATOM 542 N ILE A 36 7.191 -0.548 11.128 1.00 0.00 N ATOM 543 CA ILE A 36 6.335 -1.230 10.150 1.00 0.00 C ATOM 544 C ILE A 36 6.460 -0.541 8.774 1.00 0.00 C ATOM 545 O ILE A 36 6.771 0.652 8.705 1.00 0.00 O ATOM 546 CB ILE A 36 4.860 -1.238 10.640 1.00 0.00 C ATOM 547 CG1 ILE A 36 4.673 -2.038 11.952 1.00 0.00 C ATOM 548 CG2 ILE A 36 3.924 -1.799 9.551 1.00 0.00 C ATOM 549 CD1 ILE A 36 3.205 -2.212 12.368 1.00 0.00 C ATOM 0 H ILE A 36 6.696 0.193 11.625 1.00 0.00 H new ATOM 0 HA ILE A 36 6.661 -2.265 10.047 1.00 0.00 H new ATOM 0 HB ILE A 36 4.598 -0.200 10.846 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.127 -3.022 11.834 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.211 -1.533 12.754 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.897 -1.795 9.916 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.993 -1.179 8.657 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.219 -2.820 9.309 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.155 -2.782 13.296 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.751 -1.233 12.519 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.666 -2.745 11.585 1.00 0.00 H new ATOM 561 N PHE A 37 6.201 -1.277 7.672 1.00 0.00 N ATOM 562 CA PHE A 37 5.994 -0.735 6.321 1.00 0.00 C ATOM 563 C PHE A 37 4.680 -1.268 5.703 1.00 0.00 C ATOM 564 O PHE A 37 4.120 -2.255 6.181 1.00 0.00 O ATOM 565 CB PHE A 37 7.198 -1.079 5.418 1.00 0.00 C ATOM 566 CG PHE A 37 7.348 -2.545 5.037 1.00 0.00 C ATOM 567 CD1 PHE A 37 8.014 -3.440 5.905 1.00 0.00 C ATOM 568 CD2 PHE A 37 6.849 -3.013 3.798 1.00 0.00 C ATOM 569 CE1 PHE A 37 8.240 -4.776 5.507 1.00 0.00 C ATOM 570 CE2 PHE A 37 7.092 -4.343 3.394 1.00 0.00 C ATOM 571 CZ PHE A 37 7.767 -5.231 4.259 1.00 0.00 C ATOM 0 H PHE A 37 6.129 -2.294 7.704 1.00 0.00 H new ATOM 0 HA PHE A 37 5.912 0.349 6.397 1.00 0.00 H new ATOM 0 HB2 PHE A 37 7.120 -0.492 4.503 1.00 0.00 H new ATOM 0 HB3 PHE A 37 8.109 -0.760 5.924 1.00 0.00 H new ATOM 0 HD1 PHE A 37 8.350 -3.102 6.874 1.00 0.00 H new ATOM 0 HD2 PHE A 37 6.281 -2.351 3.161 1.00 0.00 H new ATOM 0 HE1 PHE A 37 8.776 -5.450 6.159 1.00 0.00 H new ATOM 0 HE2 PHE A 37 6.762 -4.681 2.423 1.00 0.00 H new ATOM 0 HZ PHE A 37 7.921 -6.259 3.965 1.00 0.00 H new ATOM 581 N CYS A 38 4.177 -0.581 4.660 1.00 0.00 N ATOM 582 CA CYS A 38 2.796 -0.620 4.161 1.00 0.00 C ATOM 583 C CYS A 38 2.758 -0.417 2.630 1.00 0.00 C ATOM 584 O CYS A 38 3.797 -0.211 2.001 1.00 0.00 O ATOM 585 CB CYS A 38 1.969 0.464 4.888 1.00 0.00 C ATOM 586 SG CYS A 38 1.556 -0.003 6.595 1.00 0.00 S ATOM 0 H CYS A 38 4.761 0.052 4.113 1.00 0.00 H new ATOM 0 HA CYS A 38 2.363 -1.599 4.367 1.00 0.00 H new ATOM 0 HB2 CYS A 38 2.529 1.399 4.896 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.049 0.648 4.333 1.00 0.00 H new ATOM 0 HG CYS A 38 0.414 0.523 6.924 1.00 0.00 H new ATOM 591 N ARG A 39 1.547 -0.434 2.045 1.00 0.00 N ATOM 592 CA ARG A 39 1.201 0.128 0.730 1.00 0.00 C ATOM 593 C ARG A 39 0.392 1.435 0.931 1.00 0.00 C ATOM 594 O ARG A 39 -0.259 1.556 1.982 1.00 0.00 O ATOM 595 CB ARG A 39 0.378 -0.920 -0.056 1.00 0.00 C ATOM 596 CG ARG A 39 0.023 -0.484 -1.483 1.00 0.00 C ATOM 597 CD ARG A 39 -1.278 -1.088 -2.015 1.00 0.00 C ATOM 598 NE ARG A 39 -1.393 -2.486 -1.576 1.00 0.00 N ATOM 599 CZ ARG A 39 -2.515 -3.106 -1.171 1.00 0.00 C ATOM 600 NH1 ARG A 39 -3.691 -2.461 -1.125 1.00 0.00 N ATOM 601 NH2 ARG A 39 -2.450 -4.395 -0.806 1.00 0.00 N ATOM 0 H ARG A 39 0.742 -0.863 2.502 1.00 0.00 H new ATOM 0 HA ARG A 39 2.101 0.366 0.163 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.941 -1.852 -0.100 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.542 -1.129 0.490 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.056 0.603 -1.510 1.00 0.00 H new ATOM 0 HG3 ARG A 39 0.839 -0.761 -2.150 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.131 -0.513 -1.655 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.295 -1.036 -3.104 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.537 -3.041 -1.579 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.746 -1.480 -1.401 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.530 -2.951 -0.814 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.559 -4.890 -0.838 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.292 -4.880 -0.496 1.00 0.00 H new ATOM 615 N PRO A 40 0.420 2.432 0.020 1.00 0.00 N ATOM 616 CA PRO A 40 -0.326 3.699 0.142 1.00 0.00 C ATOM 617 C PRO A 40 -1.740 3.578 0.754 1.00 0.00 C ATOM 618 O PRO A 40 -2.233 4.531 1.363 1.00 0.00 O ATOM 619 CB PRO A 40 -0.372 4.297 -1.278 1.00 0.00 C ATOM 620 CG PRO A 40 0.224 3.231 -2.195 1.00 0.00 C ATOM 621 CD PRO A 40 1.135 2.443 -1.251 1.00 0.00 C ATOM 0 HA PRO A 40 0.189 4.343 0.855 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -1.395 4.536 -1.569 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.200 5.223 -1.331 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.547 2.598 -2.635 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.782 3.673 -3.020 1.00 0.00 H new ATOM 0 HD2 PRO A 40 1.308 1.431 -1.618 1.00 0.00 H new ATOM 0 HD3 PRO A 40 2.111 2.918 -1.153 1.00 0.00 H new ATOM 629 N SER A 41 -2.382 2.404 0.608 1.00 0.00 N ATOM 630 CA SER A 41 -3.812 2.151 0.840 1.00 0.00 C ATOM 631 C SER A 41 -4.158 2.008 2.336 1.00 0.00 C ATOM 632 O SER A 41 -5.315 1.714 2.670 1.00 0.00 O ATOM 633 CB SER A 41 -4.242 0.895 0.052 1.00 0.00 C ATOM 634 OG SER A 41 -4.636 -0.163 0.903 1.00 0.00 O ATOM 0 H SER A 41 -1.889 1.563 0.309 1.00 0.00 H new ATOM 0 HA SER A 41 -4.367 3.019 0.483 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.067 1.151 -0.613 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.416 0.564 -0.578 1.00 0.00 H new ATOM 0 HG SER A 41 -5.050 -0.874 0.371 1.00 0.00 H new ATOM 640 N CYS A 42 -3.181 2.176 3.258 1.00 0.00 N ATOM 641 CA CYS A 42 -3.284 1.691 4.649 1.00 0.00 C ATOM 642 C CYS A 42 -4.569 2.234 5.314 1.00 0.00 C ATOM 643 O CYS A 42 -4.593 3.381 5.765 1.00 0.00 O ATOM 644 CB CYS A 42 -2.024 2.073 5.451 1.00 0.00 C ATOM 645 SG CYS A 42 -1.959 1.215 7.060 1.00 0.00 S ATOM 0 H CYS A 42 -2.301 2.651 3.056 1.00 0.00 H new ATOM 0 HA CYS A 42 -3.349 0.603 4.639 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -1.135 1.825 4.871 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -2.009 3.151 5.613 1.00 0.00 H new ATOM 0 HG CYS A 42 -1.674 -0.039 6.872 1.00 0.00 H new ATOM 650 N ARG A 43 -5.643 1.422 5.343 1.00 0.00 N ATOM 651 CA ARG A 43 -7.033 1.852 5.566 1.00 0.00 C ATOM 652 C ARG A 43 -7.217 2.455 6.975 1.00 0.00 C ATOM 653 O ARG A 43 -7.756 3.560 7.107 1.00 0.00 O ATOM 654 CB ARG A 43 -7.981 0.657 5.328 1.00 0.00 C ATOM 655 CG ARG A 43 -8.214 -0.186 6.593 1.00 0.00 C ATOM 656 CD ARG A 43 -9.606 -0.834 6.601 1.00 0.00 C ATOM 657 NE ARG A 43 -9.509 -2.285 6.827 1.00 0.00 N ATOM 658 CZ ARG A 43 -9.842 -3.246 5.945 1.00 0.00 C ATOM 659 NH1 ARG A 43 -10.289 -2.944 4.716 1.00 0.00 N ATOM 660 NH2 ARG A 43 -9.724 -4.533 6.301 1.00 0.00 N ATOM 0 H ARG A 43 -5.562 0.414 5.207 1.00 0.00 H new ATOM 0 HA ARG A 43 -7.280 2.642 4.856 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.939 1.027 4.963 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -7.566 0.021 4.546 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -7.452 -0.962 6.657 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -8.102 0.444 7.475 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -10.218 -0.381 7.381 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -10.106 -0.642 5.652 1.00 0.00 H new ATOM 0 HE ARG A 43 -9.157 -2.590 7.735 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -10.383 -1.969 4.433 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -10.535 -3.690 4.065 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -9.385 -4.776 7.232 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -9.973 -5.270 5.641 1.00 0.00 H new ATOM 674 N ALA A 44 -6.792 1.735 8.031 1.00 0.00 N ATOM 675 CA ALA A 44 -6.852 2.167 9.436 1.00 0.00 C ATOM 676 C ALA A 44 -6.263 3.583 9.610 1.00 0.00 C ATOM 677 O ALA A 44 -5.444 4.017 8.796 1.00 0.00 O ATOM 678 CB ALA A 44 -6.105 1.157 10.322 1.00 0.00 C ATOM 0 H ALA A 44 -6.384 0.806 7.923 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.897 2.205 9.742 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -6.152 1.481 11.362 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.570 0.176 10.226 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.063 1.098 10.007 1.00 0.00 H new ATOM 684 N ARG A 45 -6.692 4.309 10.661 1.00 0.00 N ATOM 685 CA ARG A 45 -6.398 5.731 10.892 1.00 0.00 C ATOM 686 C ARG A 45 -4.902 6.031 10.658 1.00 0.00 C ATOM 687 O ARG A 45 -4.043 5.486 11.353 1.00 0.00 O ATOM 688 CB ARG A 45 -6.837 6.123 12.319 1.00 0.00 C ATOM 689 CG ARG A 45 -6.035 7.310 12.879 1.00 0.00 C ATOM 690 CD ARG A 45 -6.429 7.639 14.326 1.00 0.00 C ATOM 691 NE ARG A 45 -7.771 8.238 14.382 1.00 0.00 N ATOM 692 CZ ARG A 45 -8.121 9.329 15.087 1.00 0.00 C ATOM 693 NH1 ARG A 45 -7.220 10.017 15.805 1.00 0.00 N ATOM 694 NH2 ARG A 45 -9.398 9.739 15.074 1.00 0.00 N ATOM 0 H ARG A 45 -7.272 3.905 11.396 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.960 6.333 10.178 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.897 6.376 12.312 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -6.718 5.265 12.980 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -4.970 7.080 12.836 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -6.198 8.186 12.251 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -6.406 6.731 14.929 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -5.701 8.326 14.758 1.00 0.00 H new ATOM 0 HE ARG A 45 -8.504 7.785 13.836 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -6.246 9.716 15.824 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -7.509 10.841 16.332 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -10.093 9.225 14.533 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -9.674 10.565 15.605 1.00 0.00 H new ATOM 708 N HIS A 46 -4.596 6.887 9.664 1.00 0.00 N ATOM 709 CA HIS A 46 -3.250 7.123 9.123 1.00 0.00 C ATOM 710 C HIS A 46 -2.259 7.539 10.233 1.00 0.00 C ATOM 711 O HIS A 46 -2.590 8.370 11.080 1.00 0.00 O ATOM 712 CB HIS A 46 -3.305 8.179 7.992 1.00 0.00 C ATOM 713 CG HIS A 46 -3.948 7.672 6.724 1.00 0.00 C ATOM 714 ND1 HIS A 46 -4.467 8.553 5.771 1.00 0.00 N ATOM 715 CD2 HIS A 46 -4.125 6.387 6.282 1.00 0.00 C ATOM 716 CE1 HIS A 46 -4.925 7.766 4.793 1.00 0.00 C ATOM 717 NE2 HIS A 46 -4.743 6.460 5.051 1.00 0.00 N ATOM 0 H HIS A 46 -5.308 7.452 9.201 1.00 0.00 H new ATOM 0 HA HIS A 46 -2.883 6.187 8.702 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -3.856 9.050 8.346 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -2.292 8.512 7.768 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -3.835 5.485 6.801 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -5.391 8.139 3.893 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -5.009 5.677 4.454 1.00 0.00 H new ATOM 725 N ALA A 47 -1.035 6.977 10.205 1.00 0.00 N ATOM 726 CA ALA A 47 0.153 7.487 10.903 1.00 0.00 C ATOM 727 C ALA A 47 0.879 8.555 10.053 1.00 0.00 C ATOM 728 O ALA A 47 1.287 8.271 8.926 1.00 0.00 O ATOM 729 CB ALA A 47 1.101 6.325 11.241 1.00 0.00 C ATOM 0 H ALA A 47 -0.843 6.126 9.676 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.167 7.962 11.830 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.979 6.711 11.758 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.586 5.611 11.883 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.410 5.829 10.321 1.00 0.00 H new ATOM 735 N LEU A 48 1.007 9.782 10.592 1.00 0.00 N ATOM 736 CA LEU A 48 1.323 11.016 9.857 1.00 0.00 C ATOM 737 C LEU A 48 2.490 10.789 8.871 1.00 0.00 C ATOM 738 O LEU A 48 3.369 9.964 9.123 1.00 0.00 O ATOM 739 CB LEU A 48 1.687 12.141 10.849 1.00 0.00 C ATOM 740 CG LEU A 48 0.508 13.025 11.313 1.00 0.00 C ATOM 741 CD1 LEU A 48 0.869 13.687 12.653 1.00 0.00 C ATOM 742 CD2 LEU A 48 0.163 14.119 10.290 1.00 0.00 C ATOM 0 H LEU A 48 0.888 9.945 11.592 1.00 0.00 H new ATOM 0 HA LEU A 48 0.442 11.308 9.285 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.149 11.691 11.728 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.438 12.781 10.386 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.365 12.381 11.420 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.040 14.312 12.985 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.064 12.916 13.399 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.760 14.303 12.526 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.672 14.714 10.661 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.029 14.763 10.140 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.114 13.657 9.342 1.00 0.00 H new ATOM 754 N ARG A 49 2.492 11.533 7.747 1.00 0.00 N ATOM 755 CA ARG A 49 3.626 11.702 6.828 1.00 0.00 C ATOM 756 C ARG A 49 4.948 11.896 7.601 1.00 0.00 C ATOM 757 O ARG A 49 6.012 11.492 7.133 1.00 0.00 O ATOM 758 CB ARG A 49 3.345 12.894 5.888 1.00 0.00 C ATOM 759 CG ARG A 49 4.468 13.121 4.864 1.00 0.00 C ATOM 760 CD ARG A 49 5.599 13.977 5.448 1.00 0.00 C ATOM 761 NE ARG A 49 5.836 15.169 4.619 1.00 0.00 N ATOM 762 CZ ARG A 49 6.223 16.377 5.069 1.00 0.00 C ATOM 763 NH1 ARG A 49 6.303 16.642 6.382 1.00 0.00 N ATOM 764 NH2 ARG A 49 6.533 17.337 4.186 1.00 0.00 N ATOM 0 H ARG A 49 1.667 12.052 7.446 1.00 0.00 H new ATOM 0 HA ARG A 49 3.738 10.798 6.230 1.00 0.00 H new ATOM 0 HB2 ARG A 49 2.407 12.721 5.360 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.214 13.798 6.483 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.868 12.159 4.542 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.061 13.610 3.979 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.344 14.280 6.464 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.512 13.386 5.512 1.00 0.00 H new ATOM 0 HE ARG A 49 5.694 15.071 3.614 1.00 0.00 H new ATOM 0 HH11 ARG A 49 6.068 15.920 7.063 1.00 0.00 H new ATOM 0 HH12 ARG A 49 6.599 17.565 6.699 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.474 17.148 3.185 1.00 0.00 H new ATOM 0 HH22 ARG A 49 6.828 18.257 4.515 1.00 0.00 H new ATOM 778 N GLU A 50 4.875 12.542 8.785 1.00 0.00 N ATOM 779 CA GLU A 50 6.009 13.089 9.531 1.00 0.00 C ATOM 780 C GLU A 50 6.860 11.979 10.171 1.00 0.00 C ATOM 781 O GLU A 50 8.037 12.176 10.476 1.00 0.00 O ATOM 782 CB GLU A 50 5.483 14.057 10.607 1.00 0.00 C ATOM 783 CG GLU A 50 6.625 14.802 11.309 1.00 0.00 C ATOM 784 CD GLU A 50 7.359 15.815 10.419 1.00 0.00 C ATOM 785 OE1 GLU A 50 8.294 15.402 9.697 1.00 0.00 O ATOM 786 OE2 GLU A 50 6.962 17.000 10.481 1.00 0.00 O ATOM 0 H GLU A 50 3.985 12.698 9.259 1.00 0.00 H new ATOM 0 HA GLU A 50 6.656 13.625 8.836 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.806 14.778 10.148 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.904 13.501 11.344 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.223 15.323 12.178 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.345 14.073 11.680 1.00 0.00 H new ATOM 793 N ASN A 51 6.251 10.786 10.358 1.00 0.00 N ATOM 794 CA ASN A 51 6.885 9.529 10.776 1.00 0.00 C ATOM 795 C ASN A 51 7.109 8.591 9.568 1.00 0.00 C ATOM 796 O ASN A 51 7.947 7.690 9.630 1.00 0.00 O ATOM 797 CB ASN A 51 6.005 8.827 11.831 1.00 0.00 C ATOM 798 CG ASN A 51 5.811 9.645 13.120 1.00 0.00 C ATOM 799 OD1 ASN A 51 6.732 10.286 13.618 1.00 0.00 O ATOM 800 ND2 ASN A 51 4.579 9.620 13.648 1.00 0.00 N ATOM 0 H ASN A 51 5.248 10.676 10.211 1.00 0.00 H new ATOM 0 HA ASN A 51 7.857 9.763 11.210 1.00 0.00 H new ATOM 0 HB2 ASN A 51 5.029 8.617 11.395 1.00 0.00 H new ATOM 0 HB3 ASN A 51 6.454 7.867 12.085 1.00 0.00 H new ATOM 0 HD21 ASN A 51 4.377 10.148 14.497 1.00 0.00 H new ATOM 0 HD22 ASN A 51 3.843 9.073 13.200 1.00 0.00 H new ATOM 807 N VAL A 52 6.342 8.798 8.481 1.00 0.00 N ATOM 808 CA VAL A 52 6.211 7.894 7.329 1.00 0.00 C ATOM 809 C VAL A 52 7.202 8.303 6.219 1.00 0.00 C ATOM 810 O VAL A 52 7.301 9.486 5.882 1.00 0.00 O ATOM 811 CB VAL A 52 4.748 7.904 6.812 1.00 0.00 C ATOM 812 CG1 VAL A 52 4.663 8.317 5.331 1.00 0.00 C ATOM 813 CG2 VAL A 52 4.061 6.534 6.957 1.00 0.00 C ATOM 0 H VAL A 52 5.772 9.638 8.380 1.00 0.00 H new ATOM 0 HA VAL A 52 6.454 6.877 7.637 1.00 0.00 H new ATOM 0 HB VAL A 52 4.234 8.636 7.435 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.621 8.310 5.011 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.074 9.319 5.209 1.00 0.00 H new ATOM 0 HG13 VAL A 52 5.234 7.614 4.724 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.040 6.597 6.580 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.613 5.788 6.386 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.043 6.246 8.008 1.00 0.00 H new ATOM 823 N SER A 53 7.929 7.327 5.636 1.00 0.00 N ATOM 824 CA SER A 53 8.853 7.516 4.508 1.00 0.00 C ATOM 825 C SER A 53 8.739 6.374 3.473 1.00 0.00 C ATOM 826 O SER A 53 8.307 5.272 3.814 1.00 0.00 O ATOM 827 CB SER A 53 10.297 7.637 5.029 1.00 0.00 C ATOM 828 OG SER A 53 10.867 6.365 5.273 1.00 0.00 O ATOM 0 H SER A 53 7.885 6.358 5.950 1.00 0.00 H new ATOM 0 HA SER A 53 8.577 8.439 3.998 1.00 0.00 H new ATOM 0 HB2 SER A 53 10.904 8.176 4.301 1.00 0.00 H new ATOM 0 HB3 SER A 53 10.306 8.223 5.948 1.00 0.00 H new ATOM 0 HG SER A 53 11.784 6.475 5.601 1.00 0.00 H new ATOM 834 N PHE A 54 9.106 6.664 2.209 1.00 0.00 N ATOM 835 CA PHE A 54 8.715 5.909 1.009 1.00 0.00 C ATOM 836 C PHE A 54 9.907 5.170 0.351 1.00 0.00 C ATOM 837 O PHE A 54 11.017 5.692 0.245 1.00 0.00 O ATOM 838 CB PHE A 54 8.064 6.862 -0.015 1.00 0.00 C ATOM 839 CG PHE A 54 6.907 7.691 0.529 1.00 0.00 C ATOM 840 CD1 PHE A 54 5.751 7.047 1.025 1.00 0.00 C ATOM 841 CD2 PHE A 54 6.994 9.103 0.572 1.00 0.00 C ATOM 842 CE1 PHE A 54 4.729 7.801 1.643 1.00 0.00 C ATOM 843 CE2 PHE A 54 5.982 9.856 1.205 1.00 0.00 C ATOM 844 CZ PHE A 54 4.837 9.206 1.713 1.00 0.00 C ATOM 0 H PHE A 54 9.705 7.460 1.991 1.00 0.00 H new ATOM 0 HA PHE A 54 8.002 5.148 1.326 1.00 0.00 H new ATOM 0 HB2 PHE A 54 8.828 7.538 -0.398 1.00 0.00 H new ATOM 0 HB3 PHE A 54 7.706 6.274 -0.860 1.00 0.00 H new ATOM 0 HD1 PHE A 54 5.649 5.976 0.931 1.00 0.00 H new ATOM 0 HD2 PHE A 54 7.836 9.605 0.120 1.00 0.00 H new ATOM 0 HE1 PHE A 54 3.867 7.303 2.061 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.084 10.927 1.300 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.041 9.786 2.157 1.00 0.00 H new ATOM 854 N TYR A 55 9.649 3.933 -0.112 1.00 0.00 N ATOM 855 CA TYR A 55 10.500 3.045 -0.912 1.00 0.00 C ATOM 856 C TYR A 55 9.906 2.801 -2.321 1.00 0.00 C ATOM 857 O TYR A 55 8.829 3.290 -2.656 1.00 0.00 O ATOM 858 CB TYR A 55 10.647 1.686 -0.186 1.00 0.00 C ATOM 859 CG TYR A 55 11.015 1.790 1.287 1.00 0.00 C ATOM 860 CD1 TYR A 55 12.260 2.360 1.655 1.00 0.00 C ATOM 861 CD2 TYR A 55 10.126 1.355 2.294 1.00 0.00 C ATOM 862 CE1 TYR A 55 12.573 2.561 3.014 1.00 0.00 C ATOM 863 CE2 TYR A 55 10.441 1.552 3.654 1.00 0.00 C ATOM 864 CZ TYR A 55 11.667 2.147 4.017 1.00 0.00 C ATOM 865 OH TYR A 55 11.980 2.323 5.336 1.00 0.00 O ATOM 0 H TYR A 55 8.751 3.491 0.086 1.00 0.00 H new ATOM 0 HA TYR A 55 11.471 3.526 -1.029 1.00 0.00 H new ATOM 0 HB2 TYR A 55 9.709 1.139 -0.275 1.00 0.00 H new ATOM 0 HB3 TYR A 55 11.409 1.097 -0.696 1.00 0.00 H new ATOM 0 HD1 TYR A 55 12.970 2.641 0.892 1.00 0.00 H new ATOM 0 HD2 TYR A 55 9.201 0.869 2.021 1.00 0.00 H new ATOM 0 HE1 TYR A 55 13.505 3.031 3.289 1.00 0.00 H new ATOM 0 HE2 TYR A 55 9.742 1.247 4.419 1.00 0.00 H new ATOM 0 HH TYR A 55 11.379 1.782 5.890 1.00 0.00 H new ATOM 875 N ALA A 56 10.639 1.996 -3.129 1.00 0.00 N ATOM 876 CA ALA A 56 10.200 1.418 -4.404 1.00 0.00 C ATOM 877 C ALA A 56 9.330 0.160 -4.186 1.00 0.00 C ATOM 878 O ALA A 56 8.391 -0.082 -4.949 1.00 0.00 O ATOM 879 CB ALA A 56 11.424 1.082 -5.271 1.00 0.00 C ATOM 0 H ALA A 56 11.593 1.726 -2.891 1.00 0.00 H new ATOM 0 HA ALA A 56 9.585 2.156 -4.919 1.00 0.00 H new ATOM 0 HB1 ALA A 56 11.093 0.653 -6.217 1.00 0.00 H new ATOM 0 HB2 ALA A 56 11.994 1.991 -5.464 1.00 0.00 H new ATOM 0 HB3 ALA A 56 12.054 0.363 -4.747 1.00 0.00 H new ATOM 885 N ASN A 57 9.646 -0.646 -3.154 1.00 0.00 N ATOM 886 CA ASN A 57 8.945 -1.886 -2.791 1.00 0.00 C ATOM 887 C ASN A 57 9.245 -2.293 -1.331 1.00 0.00 C ATOM 888 O ASN A 57 9.955 -1.591 -0.611 1.00 0.00 O ATOM 889 CB ASN A 57 9.362 -3.023 -3.748 1.00 0.00 C ATOM 890 CG ASN A 57 10.819 -3.466 -3.569 1.00 0.00 C ATOM 891 OD1 ASN A 57 11.162 -4.103 -2.574 1.00 0.00 O ATOM 892 ND2 ASN A 57 11.680 -3.135 -4.535 1.00 0.00 N ATOM 0 H ASN A 57 10.426 -0.441 -2.529 1.00 0.00 H new ATOM 0 HA ASN A 57 7.873 -1.708 -2.880 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.707 -3.880 -3.589 1.00 0.00 H new ATOM 0 HB3 ASN A 57 9.214 -2.695 -4.777 1.00 0.00 H new ATOM 0 HD21 ASN A 57 12.659 -3.411 -4.462 1.00 0.00 H new ATOM 0 HD22 ASN A 57 11.358 -2.606 -5.346 1.00 0.00 H new ATOM 899 N ALA A 58 8.671 -3.439 -0.901 1.00 0.00 N ATOM 900 CA ALA A 58 8.697 -3.936 0.481 1.00 0.00 C ATOM 901 C ALA A 58 10.122 -4.362 0.903 1.00 0.00 C ATOM 902 O ALA A 58 10.585 -3.973 1.977 1.00 0.00 O ATOM 903 CB ALA A 58 7.718 -5.112 0.629 1.00 0.00 C ATOM 0 H ALA A 58 8.162 -4.059 -1.531 1.00 0.00 H new ATOM 0 HA ALA A 58 8.388 -3.125 1.141 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.741 -5.477 1.656 1.00 0.00 H new ATOM 0 HB2 ALA A 58 6.709 -4.779 0.385 1.00 0.00 H new ATOM 0 HB3 ALA A 58 8.009 -5.915 -0.048 1.00 0.00 H new ATOM 909 N SER A 59 10.811 -5.156 0.062 1.00 0.00 N ATOM 910 CA SER A 59 12.160 -5.696 0.287 1.00 0.00 C ATOM 911 C SER A 59 13.200 -4.563 0.446 1.00 0.00 C ATOM 912 O SER A 59 14.328 -4.792 0.886 1.00 0.00 O ATOM 913 CB SER A 59 12.551 -6.650 -0.859 1.00 0.00 C ATOM 914 OG SER A 59 13.915 -7.016 -0.795 1.00 0.00 O ATOM 0 H SER A 59 10.422 -5.451 -0.834 1.00 0.00 H new ATOM 0 HA SER A 59 12.150 -6.261 1.219 1.00 0.00 H new ATOM 0 HB2 SER A 59 11.932 -7.546 -0.813 1.00 0.00 H new ATOM 0 HB3 SER A 59 12.348 -6.170 -1.817 1.00 0.00 H new ATOM 0 HG SER A 59 14.126 -7.622 -1.536 1.00 0.00 H new ATOM 920 N GLU A 60 12.800 -3.325 0.100 1.00 0.00 N ATOM 921 CA GLU A 60 13.502 -2.067 0.417 1.00 0.00 C ATOM 922 C GLU A 60 13.292 -1.693 1.900 1.00 0.00 C ATOM 923 O GLU A 60 14.248 -1.466 2.642 1.00 0.00 O ATOM 924 CB GLU A 60 13.020 -0.936 -0.518 1.00 0.00 C ATOM 925 CG GLU A 60 14.130 -0.445 -1.468 1.00 0.00 C ATOM 926 CD GLU A 60 15.173 0.460 -0.803 1.00 0.00 C ATOM 927 OE1 GLU A 60 15.420 0.234 0.402 1.00 0.00 O ATOM 928 OE2 GLU A 60 15.711 1.355 -1.493 1.00 0.00 O ATOM 0 H GLU A 60 11.943 -3.167 -0.430 1.00 0.00 H new ATOM 0 HA GLU A 60 14.571 -2.208 0.255 1.00 0.00 H new ATOM 0 HB2 GLU A 60 12.173 -1.290 -1.106 1.00 0.00 H new ATOM 0 HB3 GLU A 60 12.663 -0.099 0.083 1.00 0.00 H new ATOM 0 HG2 GLU A 60 14.636 -1.311 -1.895 1.00 0.00 H new ATOM 0 HG3 GLU A 60 13.671 0.096 -2.296 1.00 0.00 H new ATOM 935 N ALA A 61 12.009 -1.651 2.330 1.00 0.00 N ATOM 936 CA ALA A 61 11.577 -1.446 3.718 1.00 0.00 C ATOM 937 C ALA A 61 12.055 -2.607 4.623 1.00 0.00 C ATOM 938 O ALA A 61 12.203 -2.444 5.834 1.00 0.00 O ATOM 939 CB ALA A 61 10.047 -1.312 3.774 1.00 0.00 C ATOM 0 H ALA A 61 11.223 -1.764 1.690 1.00 0.00 H new ATOM 0 HA ALA A 61 12.027 -0.526 4.090 1.00 0.00 H new ATOM 0 HB1 ALA A 61 9.733 -1.160 4.807 1.00 0.00 H new ATOM 0 HB2 ALA A 61 9.734 -0.460 3.170 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.588 -2.221 3.385 1.00 0.00 H new ATOM 945 N LEU A 62 12.312 -3.778 4.010 1.00 0.00 N ATOM 946 CA LEU A 62 13.017 -4.938 4.578 1.00 0.00 C ATOM 947 C LEU A 62 14.499 -4.590 4.839 1.00 0.00 C ATOM 948 O LEU A 62 15.056 -4.912 5.888 1.00 0.00 O ATOM 949 CB LEU A 62 12.922 -6.130 3.597 1.00 0.00 C ATOM 950 CG LEU A 62 11.510 -6.736 3.433 1.00 0.00 C ATOM 951 CD1 LEU A 62 11.625 -8.100 2.733 1.00 0.00 C ATOM 952 CD2 LEU A 62 10.798 -6.923 4.783 1.00 0.00 C ATOM 0 H LEU A 62 12.015 -3.947 3.049 1.00 0.00 H new ATOM 0 HA LEU A 62 12.551 -5.208 5.525 1.00 0.00 H new ATOM 0 HB2 LEU A 62 13.276 -5.804 2.619 1.00 0.00 H new ATOM 0 HB3 LEU A 62 13.599 -6.914 3.936 1.00 0.00 H new ATOM 0 HG LEU A 62 10.918 -6.041 2.837 1.00 0.00 H new ATOM 0 HD11 LEU A 62 10.632 -8.533 2.614 1.00 0.00 H new ATOM 0 HD12 LEU A 62 12.083 -7.968 1.753 1.00 0.00 H new ATOM 0 HD13 LEU A 62 12.242 -8.767 3.335 1.00 0.00 H new ATOM 0 HD21 LEU A 62 9.810 -7.351 4.617 1.00 0.00 H new ATOM 0 HD22 LEU A 62 11.383 -7.593 5.413 1.00 0.00 H new ATOM 0 HD23 LEU A 62 10.696 -5.957 5.278 1.00 0.00 H new ATOM 964 N ALA A 63 15.131 -3.919 3.847 1.00 0.00 N ATOM 965 CA ALA A 63 16.478 -3.337 3.905 1.00 0.00 C ATOM 966 C ALA A 63 16.578 -2.237 4.985 1.00 0.00 C ATOM 967 O ALA A 63 17.680 -1.926 5.447 1.00 0.00 O ATOM 968 CB ALA A 63 16.861 -2.769 2.528 1.00 0.00 C ATOM 0 H ALA A 63 14.686 -3.765 2.942 1.00 0.00 H new ATOM 0 HA ALA A 63 17.176 -4.129 4.177 1.00 0.00 H new ATOM 0 HB1 ALA A 63 17.861 -2.339 2.577 1.00 0.00 H new ATOM 0 HB2 ALA A 63 16.846 -3.569 1.788 1.00 0.00 H new ATOM 0 HB3 ALA A 63 16.147 -1.996 2.242 1.00 0.00 H new ATOM 974 N ALA A 64 15.438 -1.638 5.376 1.00 0.00 N ATOM 975 CA ALA A 64 15.308 -0.710 6.511 1.00 0.00 C ATOM 976 C ALA A 64 15.233 -1.472 7.853 1.00 0.00 C ATOM 977 O ALA A 64 15.429 -0.882 8.916 1.00 0.00 O ATOM 978 CB ALA A 64 14.066 0.176 6.323 1.00 0.00 C ATOM 0 H ALA A 64 14.553 -1.793 4.893 1.00 0.00 H new ATOM 0 HA ALA A 64 16.195 -0.078 6.540 1.00 0.00 H new ATOM 0 HB1 ALA A 64 13.976 0.860 7.167 1.00 0.00 H new ATOM 0 HB2 ALA A 64 14.164 0.748 5.400 1.00 0.00 H new ATOM 0 HB3 ALA A 64 13.176 -0.451 6.268 1.00 0.00 H new ATOM 984 N GLY A 65 14.965 -2.791 7.790 1.00 0.00 N ATOM 985 CA GLY A 65 14.836 -3.698 8.938 1.00 0.00 C ATOM 986 C GLY A 65 13.451 -3.590 9.610 1.00 0.00 C ATOM 987 O GLY A 65 13.354 -3.580 10.838 1.00 0.00 O ATOM 0 H GLY A 65 14.828 -3.269 6.900 1.00 0.00 H new ATOM 0 HA2 GLY A 65 15.000 -4.724 8.609 1.00 0.00 H new ATOM 0 HA3 GLY A 65 15.612 -3.470 9.669 1.00 0.00 H new ATOM 991 N PHE A 66 12.379 -3.509 8.798 1.00 0.00 N ATOM 992 CA PHE A 66 10.984 -3.350 9.234 1.00 0.00 C ATOM 993 C PHE A 66 10.196 -4.665 9.052 1.00 0.00 C ATOM 994 O PHE A 66 10.673 -5.587 8.388 1.00 0.00 O ATOM 995 CB PHE A 66 10.308 -2.211 8.445 1.00 0.00 C ATOM 996 CG PHE A 66 10.804 -0.807 8.762 1.00 0.00 C ATOM 997 CD1 PHE A 66 11.775 -0.604 9.772 1.00 0.00 C ATOM 998 CD2 PHE A 66 10.303 0.302 8.044 1.00 0.00 C ATOM 999 CE1 PHE A 66 12.252 0.695 10.047 1.00 0.00 C ATOM 1000 CE2 PHE A 66 10.804 1.598 8.299 1.00 0.00 C ATOM 1001 CZ PHE A 66 11.760 1.797 9.315 1.00 0.00 C ATOM 0 H PHE A 66 12.468 -3.555 7.783 1.00 0.00 H new ATOM 0 HA PHE A 66 10.984 -3.097 10.294 1.00 0.00 H new ATOM 0 HB2 PHE A 66 10.451 -2.396 7.380 1.00 0.00 H new ATOM 0 HB3 PHE A 66 9.235 -2.249 8.634 1.00 0.00 H new ATOM 0 HD1 PHE A 66 12.152 -1.446 10.334 1.00 0.00 H new ATOM 0 HD2 PHE A 66 9.535 0.159 7.298 1.00 0.00 H new ATOM 0 HE1 PHE A 66 12.994 0.846 10.818 1.00 0.00 H new ATOM 0 HE2 PHE A 66 10.454 2.437 7.715 1.00 0.00 H new ATOM 0 HZ PHE A 66 12.116 2.793 9.534 1.00 0.00 H new ATOM 1011 N ARG A 67 8.995 -4.752 9.655 1.00 0.00 N ATOM 1012 CA ARG A 67 8.075 -5.894 9.571 1.00 0.00 C ATOM 1013 C ARG A 67 6.782 -5.524 8.798 1.00 0.00 C ATOM 1014 O ARG A 67 6.418 -4.346 8.763 1.00 0.00 O ATOM 1015 CB ARG A 67 7.732 -6.378 10.998 1.00 0.00 C ATOM 1016 CG ARG A 67 7.878 -5.268 12.043 1.00 0.00 C ATOM 1017 CD ARG A 67 6.588 -4.956 12.809 1.00 0.00 C ATOM 1018 NE ARG A 67 6.553 -5.742 14.052 1.00 0.00 N ATOM 1019 CZ ARG A 67 5.604 -6.620 14.416 1.00 0.00 C ATOM 1020 NH1 ARG A 67 4.546 -6.872 13.629 1.00 0.00 N ATOM 1021 NH2 ARG A 67 5.724 -7.253 15.591 1.00 0.00 N ATOM 0 H ARG A 67 8.628 -3.998 10.236 1.00 0.00 H new ATOM 0 HA ARG A 67 8.565 -6.697 9.020 1.00 0.00 H new ATOM 0 HB2 ARG A 67 6.710 -6.756 11.014 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.384 -7.210 11.263 1.00 0.00 H new ATOM 0 HG2 ARG A 67 8.651 -5.555 12.756 1.00 0.00 H new ATOM 0 HG3 ARG A 67 8.222 -4.360 11.547 1.00 0.00 H new ATOM 0 HD2 ARG A 67 6.537 -3.892 13.038 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.720 -5.192 12.193 1.00 0.00 H new ATOM 0 HE ARG A 67 7.327 -5.607 14.703 1.00 0.00 H new ATOM 0 HH11 ARG A 67 4.451 -6.393 12.734 1.00 0.00 H new ATOM 0 HH12 ARG A 67 3.838 -7.543 13.926 1.00 0.00 H new ATOM 0 HH21 ARG A 67 6.526 -7.065 16.192 1.00 0.00 H new ATOM 0 HH22 ARG A 67 5.013 -7.923 15.884 1.00 0.00 H new ATOM 1035 N PRO A 68 6.098 -6.489 8.139 1.00 0.00 N ATOM 1036 CA PRO A 68 4.937 -6.265 7.261 1.00 0.00 C ATOM 1037 C PRO A 68 3.595 -6.036 7.993 1.00 0.00 C ATOM 1038 O PRO A 68 3.099 -6.929 8.681 1.00 0.00 O ATOM 1039 CB PRO A 68 4.868 -7.492 6.333 1.00 0.00 C ATOM 1040 CG PRO A 68 6.069 -8.364 6.700 1.00 0.00 C ATOM 1041 CD PRO A 68 6.410 -7.920 8.116 1.00 0.00 C ATOM 0 HA PRO A 68 5.082 -5.332 6.717 1.00 0.00 H new ATOM 0 HB2 PRO A 68 3.934 -8.035 6.473 1.00 0.00 H new ATOM 0 HB3 PRO A 68 4.909 -7.192 5.286 1.00 0.00 H new ATOM 0 HG2 PRO A 68 5.822 -9.425 6.660 1.00 0.00 H new ATOM 0 HG3 PRO A 68 6.904 -8.205 6.017 1.00 0.00 H new ATOM 0 HD2 PRO A 68 5.823 -8.466 8.855 1.00 0.00 H new ATOM 0 HD3 PRO A 68 7.460 -8.101 8.346 1.00 0.00 H new ATOM 1049 N CYS A 69 3.006 -4.836 7.822 1.00 0.00 N ATOM 1050 CA CYS A 69 1.781 -4.351 8.477 1.00 0.00 C ATOM 1051 C CYS A 69 0.692 -5.444 8.468 1.00 0.00 C ATOM 1052 O CYS A 69 0.640 -6.252 7.531 1.00 0.00 O ATOM 1053 CB CYS A 69 1.352 -3.036 7.773 1.00 0.00 C ATOM 1054 SG CYS A 69 -0.273 -2.387 8.282 1.00 0.00 S ATOM 0 H CYS A 69 3.397 -4.141 7.186 1.00 0.00 H new ATOM 0 HA CYS A 69 1.955 -4.129 9.530 1.00 0.00 H new ATOM 0 HB2 CYS A 69 2.108 -2.275 7.966 1.00 0.00 H new ATOM 0 HB3 CYS A 69 1.338 -3.205 6.696 1.00 0.00 H new ATOM 0 HG CYS A 69 -0.379 -1.145 7.914 1.00 0.00 H new ATOM 1059 N LYS A 70 -0.176 -5.496 9.498 1.00 0.00 N ATOM 1060 CA LYS A 70 -1.183 -6.546 9.727 1.00 0.00 C ATOM 1061 C LYS A 70 -2.432 -6.332 8.838 1.00 0.00 C ATOM 1062 O LYS A 70 -3.458 -6.982 9.039 1.00 0.00 O ATOM 1063 CB LYS A 70 -1.557 -6.578 11.225 1.00 0.00 C ATOM 1064 CG LYS A 70 -2.170 -7.920 11.659 1.00 0.00 C ATOM 1065 CD LYS A 70 -3.034 -7.791 12.921 1.00 0.00 C ATOM 1066 CE LYS A 70 -2.140 -7.795 14.170 1.00 0.00 C ATOM 1067 NZ LYS A 70 -1.711 -6.437 14.547 1.00 0.00 N ATOM 0 H LYS A 70 -0.194 -4.777 10.221 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.759 -7.511 9.448 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -0.666 -6.381 11.821 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.265 -5.776 11.435 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.777 -8.318 10.846 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -1.371 -8.639 11.842 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.615 -6.869 12.882 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -3.746 -8.615 12.970 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.681 -8.248 15.001 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.262 -8.414 13.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -1.444 -6.424 15.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.894 -6.158 13.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -2.492 -5.769 14.388 1.00 0.00 H new ATOM 1081 N ARG A 71 -2.341 -5.401 7.872 1.00 0.00 N ATOM 1082 CA ARG A 71 -3.444 -4.813 7.096 1.00 0.00 C ATOM 1083 C ARG A 71 -3.047 -4.645 5.612 1.00 0.00 C ATOM 1084 O ARG A 71 -3.788 -5.020 4.704 1.00 0.00 O ATOM 1085 CB ARG A 71 -3.806 -3.454 7.736 1.00 0.00 C ATOM 1086 CG ARG A 71 -5.312 -3.187 7.834 1.00 0.00 C ATOM 1087 CD ARG A 71 -5.635 -2.163 8.932 1.00 0.00 C ATOM 1088 NE ARG A 71 -5.654 -2.800 10.258 1.00 0.00 N ATOM 1089 CZ ARG A 71 -4.646 -2.809 11.149 1.00 0.00 C ATOM 1090 NH1 ARG A 71 -3.508 -2.130 10.932 1.00 0.00 N ATOM 1091 NH2 ARG A 71 -4.781 -3.511 12.284 1.00 0.00 N ATOM 0 H ARG A 71 -1.438 -5.016 7.596 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.311 -5.474 7.117 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.375 -3.410 8.736 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -3.344 -2.656 7.154 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -5.680 -2.822 6.875 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.835 -4.121 8.041 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -4.893 -1.364 8.919 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -6.603 -1.703 8.732 1.00 0.00 H new ATOM 0 HE ARG A 71 -6.513 -3.280 10.527 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -3.392 -1.590 10.075 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -2.760 -2.154 11.625 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -5.641 -4.030 12.464 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -4.024 -3.526 12.968 1.00 0.00 H new ATOM 1105 N CYS A 72 -1.850 -4.057 5.376 1.00 0.00 N ATOM 1106 CA CYS A 72 -1.259 -3.728 4.072 1.00 0.00 C ATOM 1107 C CYS A 72 -0.571 -4.964 3.449 1.00 0.00 C ATOM 1108 O CYS A 72 -1.083 -5.574 2.511 1.00 0.00 O ATOM 1109 CB CYS A 72 -0.263 -2.562 4.246 1.00 0.00 C ATOM 1110 SG CYS A 72 -1.117 -0.987 4.554 1.00 0.00 S ATOM 0 H CYS A 72 -1.238 -3.785 6.146 1.00 0.00 H new ATOM 0 HA CYS A 72 -2.049 -3.420 3.387 1.00 0.00 H new ATOM 0 HB2 CYS A 72 0.410 -2.779 5.076 1.00 0.00 H new ATOM 0 HB3 CYS A 72 0.353 -2.473 3.351 1.00 0.00 H new ATOM 0 HG CYS A 72 -0.417 -0.268 5.380 1.00 0.00 H new ATOM 1115 N GLN A 73 0.613 -5.315 4.000 1.00 0.00 N ATOM 1116 CA GLN A 73 1.548 -6.320 3.482 1.00 0.00 C ATOM 1117 C GLN A 73 1.044 -7.746 3.829 1.00 0.00 C ATOM 1118 O GLN A 73 0.973 -8.071 5.015 1.00 0.00 O ATOM 1119 CB GLN A 73 2.929 -6.047 4.115 1.00 0.00 C ATOM 1120 CG GLN A 73 4.044 -5.748 3.095 1.00 0.00 C ATOM 1121 CD GLN A 73 4.147 -6.751 1.937 1.00 0.00 C ATOM 1122 OE1 GLN A 73 4.429 -7.923 2.174 1.00 0.00 O ATOM 1123 NE2 GLN A 73 3.930 -6.319 0.690 1.00 0.00 N ATOM 0 H GLN A 73 0.952 -4.880 4.858 1.00 0.00 H new ATOM 0 HA GLN A 73 1.622 -6.257 2.396 1.00 0.00 H new ATOM 0 HB2 GLN A 73 2.842 -5.203 4.799 1.00 0.00 H new ATOM 0 HB3 GLN A 73 3.220 -6.912 4.711 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.880 -4.753 2.681 1.00 0.00 H new ATOM 0 HG3 GLN A 73 4.999 -5.722 3.620 1.00 0.00 H new ATOM 0 HE21 GLN A 73 3.697 -5.340 0.523 1.00 0.00 H new ATOM 0 HE22 GLN A 73 3.997 -6.968 -0.094 1.00 0.00 H new