USER MOD reduce.3.24.130724 H: found=0, std=0, add=509, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 509 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 31 THR OG1 : rot 25:sc= 0.262 USER MOD Set 1.2: A 34 CYS SG : rot -140:sc= -0.0515 USER MOD Set 1.3: A 37 GLN : amide:sc= -1.49 K(o=-1.3,f=-5.7!) USER MOD Set 2.1: A 16 SER OG : rot 180:sc= -0.0078 USER MOD Set 2.2: A 17 HIS : no HD1:sc= -0.123 X(o=-0.13,f=0.0051) USER MOD Single : A 22 ASN : amide:sc= -1.32 K(o=-1.3,f=-4.1!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0404) USER MOD Single : A 30 ASN : amide:sc= -0.0456 X(o=-0.046,f=0) USER MOD Single : A 33 ASN : amide:sc= -2.32! C(o=-2.3!,f=-4!) USER MOD Single : A 43 LYS NZ :NH3+ 175:sc=0.000288 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.078) USER MOD Single : A 45 ASN : amide:sc= -1.13 X(o=-1.1,f=-0.91) USER MOD Single : A 46 ASN : amide:sc= -0.242 X(o=-0.24,f=-0.46) USER MOD Single : A 48 GLN : amide:sc= -1.01 K(o=-1,f=-0.088) USER MOD Single : A 54 LYS NZ :NH3+ 159:sc= 1.04 (180deg=-0.344) USER MOD Single : A 56 LYS NZ :NH3+ 178:sc= 1.24 (180deg=1.17) USER MOD Single : A 59 GLN : amide:sc= -1.49! X(o=-1.5!,f=-1.8) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.292 K(o=-0.29,f=-0.82) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 165 N CYS A 11 -5.360 -6.534 1.156 1.00 10.43 N ATOM 166 CA CYS A 11 -5.725 -5.533 0.207 1.00 22.14 C ATOM 167 C CYS A 11 -5.922 -6.161 -1.141 1.00 21.22 C ATOM 168 O CYS A 11 -4.973 -6.598 -1.768 1.00 23.21 O ATOM 169 CB CYS A 11 -4.666 -4.431 0.109 1.00 31.41 C ATOM 170 SG CYS A 11 -4.391 -3.487 1.645 1.00 40.51 S ATOM 0 HA CYS A 11 -6.655 -5.076 0.546 1.00 22.14 H new ATOM 0 HB2 CYS A 11 -3.722 -4.882 -0.197 1.00 31.41 H new ATOM 0 HB3 CYS A 11 -4.958 -3.737 -0.679 1.00 31.41 H new ATOM 175 N ARG A 12 -7.151 -6.282 -1.536 1.00 71.15 N ATOM 176 CA ARG A 12 -7.484 -6.726 -2.865 1.00 25.51 C ATOM 177 C ARG A 12 -7.850 -5.478 -3.670 1.00 75.44 C ATOM 178 O ARG A 12 -8.023 -5.508 -4.884 1.00 61.34 O ATOM 179 CB ARG A 12 -8.636 -7.729 -2.808 1.00 4.32 C ATOM 180 CG ARG A 12 -9.040 -8.326 -4.150 1.00 4.31 C ATOM 181 CD ARG A 12 -10.186 -9.294 -3.974 1.00 62.54 C ATOM 182 NE ARG A 12 -11.323 -8.656 -3.303 1.00 75.34 N ATOM 183 CZ ARG A 12 -12.324 -9.311 -2.712 1.00 54.44 C ATOM 184 NH1 ARG A 12 -12.423 -10.632 -2.824 1.00 51.21 N ATOM 185 NH2 ARG A 12 -13.243 -8.641 -2.031 1.00 51.23 N ATOM 0 H ARG A 12 -7.959 -6.076 -0.948 1.00 71.15 H new ATOM 0 HA ARG A 12 -6.648 -7.239 -3.341 1.00 25.51 H new ATOM 0 HB2 ARG A 12 -8.358 -8.541 -2.136 1.00 4.32 H new ATOM 0 HB3 ARG A 12 -9.505 -7.237 -2.371 1.00 4.32 H new ATOM 0 HG2 ARG A 12 -9.330 -7.530 -4.836 1.00 4.31 H new ATOM 0 HG3 ARG A 12 -8.189 -8.838 -4.598 1.00 4.31 H new ATOM 0 HD2 ARG A 12 -10.500 -9.670 -4.948 1.00 62.54 H new ATOM 0 HD3 ARG A 12 -9.853 -10.153 -3.392 1.00 62.54 H new ATOM 0 HE ARG A 12 -11.351 -7.637 -3.287 1.00 75.34 H new ATOM 0 HH11 ARG A 12 -11.731 -11.151 -3.364 1.00 51.21 H new ATOM 0 HH12 ARG A 12 -13.191 -11.126 -2.370 1.00 51.21 H new ATOM 0 HH21 ARG A 12 -13.185 -7.625 -1.959 1.00 51.23 H new ATOM 0 HH22 ARG A 12 -14.008 -9.141 -1.579 1.00 51.23 H new ATOM 199 N PHE A 13 -7.963 -4.381 -2.939 1.00 13.43 N ATOM 200 CA PHE A 13 -8.186 -3.075 -3.495 1.00 5.15 C ATOM 201 C PHE A 13 -6.861 -2.355 -3.458 1.00 20.33 C ATOM 202 O PHE A 13 -6.117 -2.489 -2.488 1.00 51.14 O ATOM 203 CB PHE A 13 -9.190 -2.268 -2.653 1.00 3.32 C ATOM 204 CG PHE A 13 -10.561 -2.865 -2.519 1.00 23.34 C ATOM 205 CD1 PHE A 13 -10.834 -3.779 -1.521 1.00 24.31 C ATOM 206 CD2 PHE A 13 -11.579 -2.495 -3.382 1.00 30.44 C ATOM 207 CE1 PHE A 13 -12.093 -4.317 -1.381 1.00 73.25 C ATOM 208 CE2 PHE A 13 -12.843 -3.033 -3.248 1.00 55.51 C ATOM 209 CZ PHE A 13 -13.098 -3.945 -2.244 1.00 22.21 C ATOM 0 H PHE A 13 -7.899 -4.384 -1.921 1.00 13.43 H new ATOM 0 HA PHE A 13 -8.587 -3.173 -4.504 1.00 5.15 H new ATOM 0 HB2 PHE A 13 -8.773 -2.135 -1.655 1.00 3.32 H new ATOM 0 HB3 PHE A 13 -9.288 -1.275 -3.092 1.00 3.32 H new ATOM 0 HD1 PHE A 13 -10.049 -4.076 -0.841 1.00 24.31 H new ATOM 0 HD2 PHE A 13 -11.382 -1.779 -4.167 1.00 30.44 H new ATOM 0 HE1 PHE A 13 -12.292 -5.030 -0.595 1.00 73.25 H new ATOM 0 HE2 PHE A 13 -13.630 -2.741 -3.927 1.00 55.51 H new ATOM 0 HZ PHE A 13 -14.086 -4.367 -2.136 1.00 22.21 H new ATOM 219 N PHE A 14 -6.560 -1.624 -4.486 1.00 33.22 N ATOM 220 CA PHE A 14 -5.330 -0.876 -4.574 1.00 10.33 C ATOM 221 C PHE A 14 -5.568 0.482 -5.203 1.00 60.44 C ATOM 222 O PHE A 14 -6.378 0.625 -6.130 1.00 62.42 O ATOM 223 CB PHE A 14 -4.269 -1.626 -5.373 1.00 42.01 C ATOM 224 CG PHE A 14 -3.781 -2.888 -4.742 1.00 3.23 C ATOM 225 CD1 PHE A 14 -3.024 -2.834 -3.594 1.00 11.21 C ATOM 226 CD2 PHE A 14 -4.068 -4.122 -5.296 1.00 71.23 C ATOM 227 CE1 PHE A 14 -2.559 -3.977 -3.000 1.00 72.31 C ATOM 228 CE2 PHE A 14 -3.603 -5.279 -4.708 1.00 51.00 C ATOM 229 CZ PHE A 14 -2.843 -5.207 -3.557 1.00 52.43 C ATOM 0 H PHE A 14 -7.165 -1.524 -5.301 1.00 33.22 H new ATOM 0 HA PHE A 14 -4.965 -0.744 -3.555 1.00 10.33 H new ATOM 0 HB2 PHE A 14 -4.675 -1.862 -6.356 1.00 42.01 H new ATOM 0 HB3 PHE A 14 -3.418 -0.963 -5.531 1.00 42.01 H new ATOM 0 HD1 PHE A 14 -2.793 -1.875 -3.154 1.00 11.21 H new ATOM 0 HD2 PHE A 14 -4.661 -4.180 -6.197 1.00 71.23 H new ATOM 0 HE1 PHE A 14 -1.971 -3.916 -2.096 1.00 72.31 H new ATOM 0 HE2 PHE A 14 -3.832 -6.239 -5.146 1.00 51.00 H new ATOM 0 HZ PHE A 14 -2.472 -6.110 -3.095 1.00 52.43 H new ATOM 239 N GLU A 15 -4.898 1.463 -4.690 1.00 42.42 N ATOM 240 CA GLU A 15 -4.974 2.806 -5.167 1.00 70.30 C ATOM 241 C GLU A 15 -3.648 3.185 -5.814 1.00 55.32 C ATOM 242 O GLU A 15 -2.574 2.882 -5.279 1.00 41.11 O ATOM 243 CB GLU A 15 -5.301 3.744 -3.994 1.00 31.43 C ATOM 244 CG GLU A 15 -5.434 5.209 -4.366 1.00 53.44 C ATOM 245 CD GLU A 15 -6.455 5.429 -5.436 1.00 63.23 C ATOM 246 OE1 GLU A 15 -7.660 5.433 -5.134 1.00 23.33 O ATOM 247 OE2 GLU A 15 -6.063 5.589 -6.607 1.00 42.30 O ATOM 0 H GLU A 15 -4.262 1.347 -3.901 1.00 42.42 H new ATOM 0 HA GLU A 15 -5.763 2.897 -5.913 1.00 70.30 H new ATOM 0 HB2 GLU A 15 -6.233 3.415 -3.533 1.00 31.43 H new ATOM 0 HB3 GLU A 15 -4.520 3.645 -3.240 1.00 31.43 H new ATOM 0 HG2 GLU A 15 -5.708 5.783 -3.481 1.00 53.44 H new ATOM 0 HG3 GLU A 15 -4.469 5.585 -4.704 1.00 53.44 H new ATOM 254 N SER A 16 -3.724 3.814 -6.953 1.00 20.33 N ATOM 255 CA SER A 16 -2.559 4.228 -7.677 1.00 44.24 C ATOM 256 C SER A 16 -2.340 5.737 -7.540 1.00 22.35 C ATOM 257 O SER A 16 -1.240 6.239 -7.751 1.00 1.20 O ATOM 258 CB SER A 16 -2.733 3.837 -9.130 1.00 10.45 C ATOM 259 OG SER A 16 -3.971 4.327 -9.622 1.00 74.41 O ATOM 0 H SER A 16 -4.605 4.055 -7.408 1.00 20.33 H new ATOM 0 HA SER A 16 -1.677 3.735 -7.268 1.00 44.24 H new ATOM 0 HB2 SER A 16 -1.912 4.239 -9.724 1.00 10.45 H new ATOM 0 HB3 SER A 16 -2.697 2.752 -9.230 1.00 10.45 H new ATOM 0 HG SER A 16 -4.074 4.071 -10.562 1.00 74.41 H new ATOM 265 N HIS A 17 -3.389 6.446 -7.132 1.00 21.32 N ATOM 266 CA HIS A 17 -3.367 7.917 -6.997 1.00 34.25 C ATOM 267 C HIS A 17 -2.715 8.355 -5.683 1.00 42.55 C ATOM 268 O HIS A 17 -2.968 9.451 -5.178 1.00 41.20 O ATOM 269 CB HIS A 17 -4.796 8.489 -7.086 1.00 41.43 C ATOM 270 CG HIS A 17 -5.451 8.358 -8.428 1.00 21.32 C ATOM 271 ND1 HIS A 17 -6.154 9.376 -9.025 1.00 12.35 N ATOM 272 CD2 HIS A 17 -5.539 7.311 -9.263 1.00 30.31 C ATOM 273 CE1 HIS A 17 -6.645 8.955 -10.171 1.00 12.12 C ATOM 274 NE2 HIS A 17 -6.284 7.704 -10.336 1.00 15.01 N ATOM 0 H HIS A 17 -4.284 6.025 -6.883 1.00 21.32 H new ATOM 0 HA HIS A 17 -2.769 8.310 -7.819 1.00 34.25 H new ATOM 0 HB2 HIS A 17 -5.418 7.987 -6.345 1.00 41.43 H new ATOM 0 HB3 HIS A 17 -4.766 9.544 -6.815 1.00 41.43 H new ATOM 0 HD2 HIS A 17 -5.100 6.336 -9.113 1.00 30.31 H new ATOM 0 HE1 HIS A 17 -7.242 9.538 -10.857 1.00 12.12 H new ATOM 0 HE2 HIS A 17 -6.522 7.120 -11.137 1.00 15.01 H new ATOM 283 N VAL A 18 -1.866 7.519 -5.156 1.00 41.30 N ATOM 284 CA VAL A 18 -1.169 7.798 -3.941 1.00 42.24 C ATOM 285 C VAL A 18 0.110 8.596 -4.224 1.00 65.13 C ATOM 286 O VAL A 18 1.008 8.120 -4.929 1.00 62.13 O ATOM 287 CB VAL A 18 -0.805 6.491 -3.218 1.00 0.03 C ATOM 288 CG1 VAL A 18 -0.069 6.783 -1.943 1.00 32.14 C ATOM 289 CG2 VAL A 18 -2.055 5.674 -2.938 1.00 34.04 C ATOM 0 H VAL A 18 -1.638 6.614 -5.567 1.00 41.30 H new ATOM 0 HA VAL A 18 -1.826 8.390 -3.304 1.00 42.24 H new ATOM 0 HB VAL A 18 -0.151 5.908 -3.866 1.00 0.03 H new ATOM 0 HG11 VAL A 18 0.181 5.846 -1.444 1.00 32.14 H new ATOM 0 HG12 VAL A 18 0.847 7.329 -2.168 1.00 32.14 H new ATOM 0 HG13 VAL A 18 -0.699 7.385 -1.289 1.00 32.14 H new ATOM 0 HG21 VAL A 18 -1.780 4.752 -2.426 1.00 34.04 H new ATOM 0 HG22 VAL A 18 -2.733 6.250 -2.308 1.00 34.04 H new ATOM 0 HG23 VAL A 18 -2.550 5.433 -3.879 1.00 34.04 H new ATOM 299 N ALA A 19 0.175 9.799 -3.700 1.00 72.01 N ATOM 300 CA ALA A 19 1.345 10.644 -3.841 1.00 12.23 C ATOM 301 C ALA A 19 2.185 10.530 -2.596 1.00 13.04 C ATOM 302 O ALA A 19 1.676 10.746 -1.506 1.00 53.11 O ATOM 303 CB ALA A 19 0.929 12.090 -4.036 1.00 10.34 C ATOM 0 H ALA A 19 -0.582 10.222 -3.163 1.00 72.01 H new ATOM 0 HA ALA A 19 1.917 10.322 -4.711 1.00 12.23 H new ATOM 0 HB1 ALA A 19 1.817 12.713 -4.140 1.00 10.34 H new ATOM 0 HB2 ALA A 19 0.318 12.175 -4.935 1.00 10.34 H new ATOM 0 HB3 ALA A 19 0.352 12.422 -3.173 1.00 10.34 H new ATOM 309 N ARG A 20 3.473 10.216 -2.755 1.00 34.23 N ATOM 310 CA ARG A 20 4.389 10.032 -1.616 1.00 1.31 C ATOM 311 C ARG A 20 4.422 11.256 -0.693 1.00 13.11 C ATOM 312 O ARG A 20 4.515 11.121 0.529 1.00 25.25 O ATOM 313 CB ARG A 20 5.812 9.700 -2.092 1.00 44.31 C ATOM 314 CG ARG A 20 6.808 9.531 -0.953 1.00 34.52 C ATOM 315 CD ARG A 20 8.208 9.258 -1.447 1.00 54.22 C ATOM 316 NE ARG A 20 9.159 9.245 -0.337 1.00 51.05 N ATOM 317 CZ ARG A 20 10.479 9.094 -0.452 1.00 73.34 C ATOM 318 NH1 ARG A 20 11.039 8.937 -1.646 1.00 12.23 N ATOM 319 NH2 ARG A 20 11.236 9.116 0.635 1.00 52.04 N ATOM 0 H ARG A 20 3.912 10.082 -3.666 1.00 34.23 H new ATOM 0 HA ARG A 20 4.001 9.190 -1.043 1.00 1.31 H new ATOM 0 HB2 ARG A 20 5.785 8.783 -2.680 1.00 44.31 H new ATOM 0 HB3 ARG A 20 6.160 10.493 -2.754 1.00 44.31 H new ATOM 0 HG2 ARG A 20 6.811 10.433 -0.340 1.00 34.52 H new ATOM 0 HG3 ARG A 20 6.486 8.711 -0.311 1.00 34.52 H new ATOM 0 HD2 ARG A 20 8.235 8.300 -1.965 1.00 54.22 H new ATOM 0 HD3 ARG A 20 8.498 10.020 -2.171 1.00 54.22 H new ATOM 0 HE ARG A 20 8.782 9.361 0.604 1.00 51.05 H new ATOM 0 HH11 ARG A 20 10.459 8.931 -2.485 1.00 12.23 H new ATOM 0 HH12 ARG A 20 12.049 8.822 -1.724 1.00 12.23 H new ATOM 0 HH21 ARG A 20 10.808 9.248 1.552 1.00 52.04 H new ATOM 0 HH22 ARG A 20 12.246 9.001 0.555 1.00 52.04 H new ATOM 333 N ALA A 21 4.312 12.439 -1.281 1.00 31.31 N ATOM 334 CA ALA A 21 4.329 13.689 -0.526 1.00 20.11 C ATOM 335 C ALA A 21 3.095 13.817 0.358 1.00 63.20 C ATOM 336 O ALA A 21 3.104 14.528 1.360 1.00 5.14 O ATOM 337 CB ALA A 21 4.419 14.872 -1.471 1.00 64.04 C ATOM 0 H ALA A 21 4.209 12.562 -2.288 1.00 31.31 H new ATOM 0 HA ALA A 21 5.208 13.680 0.119 1.00 20.11 H new ATOM 0 HB1 ALA A 21 4.431 15.797 -0.895 1.00 64.04 H new ATOM 0 HB2 ALA A 21 5.334 14.799 -2.059 1.00 64.04 H new ATOM 0 HB3 ALA A 21 3.557 14.871 -2.138 1.00 64.04 H new ATOM 343 N ASN A 22 2.047 13.110 -0.010 1.00 32.14 N ATOM 344 CA ASN A 22 0.801 13.141 0.730 1.00 43.11 C ATOM 345 C ASN A 22 0.679 11.865 1.573 1.00 31.30 C ATOM 346 O ASN A 22 -0.320 11.622 2.214 1.00 31.40 O ATOM 347 CB ASN A 22 -0.380 13.292 -0.250 1.00 41.21 C ATOM 348 CG ASN A 22 -1.750 13.460 0.418 1.00 31.35 C ATOM 349 OD1 ASN A 22 -1.881 13.987 1.538 1.00 40.13 O ATOM 350 ND2 ASN A 22 -2.777 13.029 -0.267 1.00 23.51 N ATOM 0 H ASN A 22 2.034 12.500 -0.827 1.00 32.14 H new ATOM 0 HA ASN A 22 0.785 13.996 1.406 1.00 43.11 H new ATOM 0 HB2 ASN A 22 -0.195 14.155 -0.890 1.00 41.21 H new ATOM 0 HB3 ASN A 22 -0.412 12.416 -0.897 1.00 41.21 H new ATOM 0 HD21 ASN A 22 -3.719 13.120 0.114 1.00 23.51 H new ATOM 0 HD22 ASN A 22 -2.636 12.602 -1.182 1.00 23.51 H new ATOM 357 N VAL A 23 1.716 11.065 1.565 1.00 63.21 N ATOM 358 CA VAL A 23 1.755 9.859 2.378 1.00 72.33 C ATOM 359 C VAL A 23 2.405 10.172 3.714 1.00 11.54 C ATOM 360 O VAL A 23 3.560 10.613 3.759 1.00 11.12 O ATOM 361 CB VAL A 23 2.542 8.708 1.687 1.00 65.42 C ATOM 362 CG1 VAL A 23 2.612 7.488 2.580 1.00 55.21 C ATOM 363 CG2 VAL A 23 1.893 8.334 0.382 1.00 45.41 C ATOM 0 H VAL A 23 2.553 11.222 1.003 1.00 63.21 H new ATOM 0 HA VAL A 23 0.727 9.524 2.517 1.00 72.33 H new ATOM 0 HB VAL A 23 3.554 9.066 1.498 1.00 65.42 H new ATOM 0 HG11 VAL A 23 3.167 6.698 2.074 1.00 55.21 H new ATOM 0 HG12 VAL A 23 3.117 7.747 3.511 1.00 55.21 H new ATOM 0 HG13 VAL A 23 1.603 7.139 2.799 1.00 55.21 H new ATOM 0 HG21 VAL A 23 2.457 7.528 -0.087 1.00 45.41 H new ATOM 0 HG22 VAL A 23 0.871 8.003 0.566 1.00 45.41 H new ATOM 0 HG23 VAL A 23 1.880 9.200 -0.279 1.00 45.41 H new ATOM 373 N LYS A 24 1.666 9.963 4.795 1.00 4.32 N ATOM 374 CA LYS A 24 2.173 10.206 6.125 1.00 40.23 C ATOM 375 C LYS A 24 3.233 9.172 6.451 1.00 21.31 C ATOM 376 O LYS A 24 4.378 9.497 6.773 1.00 1.13 O ATOM 377 CB LYS A 24 1.039 10.099 7.124 1.00 41.51 C ATOM 378 CG LYS A 24 1.391 10.528 8.469 1.00 43.32 C ATOM 379 CD LYS A 24 0.152 10.580 9.247 1.00 34.05 C ATOM 380 CE LYS A 24 0.340 11.331 10.485 1.00 63.25 C ATOM 381 NZ LYS A 24 1.221 10.663 11.466 1.00 52.31 N ATOM 0 H LYS A 24 0.705 9.622 4.768 1.00 4.32 H new ATOM 0 HA LYS A 24 2.607 11.204 6.176 1.00 40.23 H new ATOM 0 HB2 LYS A 24 0.200 10.698 6.771 1.00 41.51 H new ATOM 0 HB3 LYS A 24 0.698 9.064 7.162 1.00 41.51 H new ATOM 0 HG2 LYS A 24 2.100 9.834 8.921 1.00 43.32 H new ATOM 0 HG3 LYS A 24 1.872 11.506 8.447 1.00 43.32 H new ATOM 0 HD2 LYS A 24 -0.635 11.044 8.653 1.00 34.05 H new ATOM 0 HD3 LYS A 24 -0.178 9.567 9.479 1.00 34.05 H new ATOM 0 HE2 LYS A 24 0.757 12.309 10.245 1.00 63.25 H new ATOM 0 HE3 LYS A 24 -0.633 11.503 10.945 1.00 63.25 H new ATOM 0 HZ1 LYS A 24 1.306 11.256 12.316 1.00 52.31 H new ATOM 0 HZ2 LYS A 24 0.816 9.741 11.725 1.00 52.31 H new ATOM 0 HZ3 LYS A 24 2.162 10.522 11.047 1.00 52.31 H new ATOM 395 N ARG A 25 2.839 7.936 6.349 1.00 4.24 N ATOM 396 CA ARG A 25 3.700 6.799 6.605 1.00 3.11 C ATOM 397 C ARG A 25 3.130 5.650 5.787 1.00 4.02 C ATOM 398 O ARG A 25 1.910 5.628 5.546 1.00 1.30 O ATOM 399 CB ARG A 25 3.628 6.463 8.104 1.00 44.15 C ATOM 400 CG ARG A 25 4.610 5.415 8.598 1.00 42.04 C ATOM 401 CD ARG A 25 6.040 5.896 8.475 1.00 44.21 C ATOM 402 NE ARG A 25 6.984 4.960 9.088 1.00 71.24 N ATOM 403 CZ ARG A 25 8.315 5.072 9.043 1.00 64.23 C ATOM 404 NH1 ARG A 25 8.884 6.044 8.316 1.00 75.25 N ATOM 405 NH2 ARG A 25 9.072 4.209 9.716 1.00 75.22 N ATOM 0 H ARG A 25 1.890 7.676 6.080 1.00 4.24 H new ATOM 0 HA ARG A 25 4.739 6.992 6.339 1.00 3.11 H new ATOM 0 HB2 ARG A 25 3.790 7.380 8.670 1.00 44.15 H new ATOM 0 HB3 ARG A 25 2.618 6.122 8.332 1.00 44.15 H new ATOM 0 HG2 ARG A 25 4.394 5.174 9.639 1.00 42.04 H new ATOM 0 HG3 ARG A 25 4.483 4.497 8.025 1.00 42.04 H new ATOM 0 HD2 ARG A 25 6.290 6.027 7.422 1.00 44.21 H new ATOM 0 HD3 ARG A 25 6.137 6.873 8.949 1.00 44.21 H new ATOM 0 HE ARG A 25 6.596 4.160 9.588 1.00 71.24 H new ATOM 0 HH11 ARG A 25 8.301 6.700 7.796 1.00 75.25 H new ATOM 0 HH12 ARG A 25 9.900 6.128 8.283 1.00 75.25 H new ATOM 0 HH21 ARG A 25 8.636 3.467 10.263 1.00 75.22 H new ATOM 0 HH22 ARG A 25 10.088 4.290 9.685 1.00 75.22 H new ATOM 419 N LEU A 26 3.950 4.712 5.341 1.00 33.44 N ATOM 420 CA LEU A 26 3.420 3.634 4.547 1.00 35.51 C ATOM 421 C LEU A 26 4.228 2.421 4.775 1.00 52.20 C ATOM 422 O LEU A 26 5.369 2.523 5.234 1.00 41.22 O ATOM 423 CB LEU A 26 3.388 3.941 3.037 1.00 32.21 C ATOM 424 CG LEU A 26 4.702 3.935 2.245 1.00 71.01 C ATOM 425 CD1 LEU A 26 4.362 4.029 0.804 1.00 53.20 C ATOM 426 CD2 LEU A 26 5.631 5.081 2.604 1.00 65.51 C ATOM 0 H LEU A 26 4.955 4.680 5.512 1.00 33.44 H new ATOM 0 HA LEU A 26 2.387 3.489 4.863 1.00 35.51 H new ATOM 0 HB2 LEU A 26 2.719 3.218 2.569 1.00 32.21 H new ATOM 0 HB3 LEU A 26 2.933 4.924 2.911 1.00 32.21 H new ATOM 0 HG LEU A 26 5.232 3.015 2.490 1.00 71.01 H new ATOM 0 HD11 LEU A 26 5.278 4.027 0.213 1.00 53.20 H new ATOM 0 HD12 LEU A 26 3.745 3.177 0.519 1.00 53.20 H new ATOM 0 HD13 LEU A 26 3.813 4.952 0.619 1.00 53.20 H new ATOM 0 HD21 LEU A 26 6.540 5.014 2.006 1.00 65.51 H new ATOM 0 HD22 LEU A 26 5.133 6.030 2.403 1.00 65.51 H new ATOM 0 HD23 LEU A 26 5.888 5.024 3.662 1.00 65.51 H new ATOM 438 N LYS A 27 3.685 1.279 4.477 1.00 41.33 N ATOM 439 CA LYS A 27 4.426 0.091 4.686 1.00 1.12 C ATOM 440 C LYS A 27 4.001 -0.973 3.692 1.00 53.11 C ATOM 441 O LYS A 27 2.830 -1.028 3.311 1.00 23.44 O ATOM 442 CB LYS A 27 4.223 -0.378 6.122 1.00 40.20 C ATOM 443 CG LYS A 27 5.407 -1.108 6.696 1.00 53.15 C ATOM 444 CD LYS A 27 6.633 -0.204 6.627 1.00 31.54 C ATOM 445 CE LYS A 27 7.804 -0.751 7.371 1.00 53.51 C ATOM 446 NZ LYS A 27 8.188 -2.115 6.923 1.00 60.14 N ATOM 0 H LYS A 27 2.747 1.154 4.095 1.00 41.33 H new ATOM 0 HA LYS A 27 5.487 0.284 4.528 1.00 1.12 H new ATOM 0 HB2 LYS A 27 4.002 0.486 6.749 1.00 40.20 H new ATOM 0 HB3 LYS A 27 3.351 -1.031 6.161 1.00 40.20 H new ATOM 0 HG2 LYS A 27 5.208 -1.393 7.729 1.00 53.15 H new ATOM 0 HG3 LYS A 27 5.587 -2.028 6.140 1.00 53.15 H new ATOM 0 HD2 LYS A 27 6.910 -0.056 5.583 1.00 31.54 H new ATOM 0 HD3 LYS A 27 6.378 0.776 7.031 1.00 31.54 H new ATOM 0 HE2 LYS A 27 8.654 -0.080 7.245 1.00 53.51 H new ATOM 0 HE3 LYS A 27 7.572 -0.776 8.436 1.00 53.51 H new ATOM 0 HZ1 LYS A 27 9.083 -2.390 7.375 1.00 60.14 H new ATOM 0 HZ2 LYS A 27 7.444 -2.791 7.190 1.00 60.14 H new ATOM 0 HZ3 LYS A 27 8.306 -2.121 5.890 1.00 60.14 H new ATOM 460 N ILE A 28 4.953 -1.777 3.250 1.00 74.42 N ATOM 461 CA ILE A 28 4.685 -2.879 2.352 1.00 25.34 C ATOM 462 C ILE A 28 4.782 -4.163 3.141 1.00 1.01 C ATOM 463 O ILE A 28 5.852 -4.500 3.666 1.00 54.43 O ATOM 464 CB ILE A 28 5.711 -2.956 1.177 1.00 51.22 C ATOM 465 CG1 ILE A 28 5.707 -1.666 0.352 1.00 21.14 C ATOM 466 CG2 ILE A 28 5.439 -4.171 0.287 1.00 54.05 C ATOM 467 CD1 ILE A 28 6.611 -1.711 -0.862 1.00 1.04 C ATOM 0 H ILE A 28 5.935 -1.681 3.507 1.00 74.42 H new ATOM 0 HA ILE A 28 3.694 -2.728 1.925 1.00 25.34 H new ATOM 0 HB ILE A 28 6.703 -3.072 1.613 1.00 51.22 H new ATOM 0 HG12 ILE A 28 4.688 -1.458 0.026 1.00 21.14 H new ATOM 0 HG13 ILE A 28 6.013 -0.837 0.990 1.00 21.14 H new ATOM 0 HG21 ILE A 28 6.168 -4.199 -0.523 1.00 54.05 H new ATOM 0 HG22 ILE A 28 5.520 -5.082 0.880 1.00 54.05 H new ATOM 0 HG23 ILE A 28 4.435 -4.098 -0.131 1.00 54.05 H new ATOM 0 HD11 ILE A 28 6.553 -0.761 -1.394 1.00 1.04 H new ATOM 0 HD12 ILE A 28 7.639 -1.887 -0.544 1.00 1.04 H new ATOM 0 HD13 ILE A 28 6.293 -2.517 -1.523 1.00 1.04 H new ATOM 479 N LEU A 29 3.695 -4.860 3.259 1.00 3.41 N ATOM 480 CA LEU A 29 3.701 -6.100 3.969 1.00 23.23 C ATOM 481 C LEU A 29 3.762 -7.214 2.926 1.00 25.41 C ATOM 482 O LEU A 29 2.855 -7.343 2.074 1.00 44.33 O ATOM 483 CB LEU A 29 2.439 -6.214 4.861 1.00 15.11 C ATOM 484 CG LEU A 29 2.489 -7.192 6.072 1.00 23.12 C ATOM 485 CD1 LEU A 29 1.202 -7.111 6.864 1.00 2.14 C ATOM 486 CD2 LEU A 29 2.752 -8.631 5.658 1.00 23.42 C ATOM 0 H LEU A 29 2.791 -4.590 2.872 1.00 3.41 H new ATOM 0 HA LEU A 29 4.560 -6.172 4.636 1.00 23.23 H new ATOM 0 HB2 LEU A 29 2.209 -5.220 5.243 1.00 15.11 H new ATOM 0 HB3 LEU A 29 1.605 -6.512 4.225 1.00 15.11 H new ATOM 0 HG LEU A 29 3.327 -6.879 6.694 1.00 23.12 H new ATOM 0 HD11 LEU A 29 1.250 -7.800 7.708 1.00 2.14 H new ATOM 0 HD12 LEU A 29 1.065 -6.094 7.233 1.00 2.14 H new ATOM 0 HD13 LEU A 29 0.363 -7.381 6.223 1.00 2.14 H new ATOM 0 HD21 LEU A 29 2.776 -9.266 6.544 1.00 23.42 H new ATOM 0 HD22 LEU A 29 1.959 -8.968 4.991 1.00 23.42 H new ATOM 0 HD23 LEU A 29 3.710 -8.692 5.142 1.00 23.42 H new ATOM 498 N ASN A 30 4.824 -7.980 2.971 1.00 23.13 N ATOM 499 CA ASN A 30 5.049 -9.061 2.026 1.00 43.00 C ATOM 500 C ASN A 30 4.356 -10.301 2.551 1.00 12.12 C ATOM 501 O ASN A 30 4.788 -10.875 3.551 1.00 20.42 O ATOM 502 CB ASN A 30 6.564 -9.352 1.898 1.00 62.15 C ATOM 503 CG ASN A 30 7.394 -8.134 1.507 1.00 73.03 C ATOM 504 OD1 ASN A 30 7.828 -7.367 2.366 1.00 4.53 O ATOM 505 ND2 ASN A 30 7.647 -7.962 0.235 1.00 31.24 N ATOM 0 H ASN A 30 5.564 -7.876 3.665 1.00 23.13 H new ATOM 0 HA ASN A 30 4.657 -8.780 1.048 1.00 43.00 H new ATOM 0 HB2 ASN A 30 6.931 -9.741 2.848 1.00 62.15 H new ATOM 0 HB3 ASN A 30 6.712 -10.135 1.154 1.00 62.15 H new ATOM 0 HD21 ASN A 30 8.219 -7.174 -0.069 1.00 31.24 H new ATOM 0 HD22 ASN A 30 7.272 -8.616 -0.452 1.00 31.24 H new ATOM 512 N THR A 31 3.264 -10.686 1.928 1.00 42.24 N ATOM 513 CA THR A 31 2.544 -11.835 2.366 1.00 11.11 C ATOM 514 C THR A 31 2.801 -13.016 1.448 1.00 4.13 C ATOM 515 O THR A 31 2.715 -12.874 0.220 1.00 34.32 O ATOM 516 CB THR A 31 1.056 -11.541 2.357 1.00 53.42 C ATOM 517 OG1 THR A 31 0.699 -11.053 1.048 1.00 63.03 O ATOM 518 CG2 THR A 31 0.696 -10.512 3.405 1.00 63.13 C ATOM 0 H THR A 31 2.865 -10.213 1.118 1.00 42.24 H new ATOM 0 HA THR A 31 2.880 -12.079 3.374 1.00 11.11 H new ATOM 0 HB THR A 31 0.508 -12.454 2.588 1.00 53.42 H new ATOM 0 HG1 THR A 31 1.342 -11.387 0.388 1.00 63.03 H new ATOM 0 HG21 THR A 31 -0.377 -10.322 3.375 1.00 63.13 H new ATOM 0 HG22 THR A 31 0.970 -10.886 4.391 1.00 63.13 H new ATOM 0 HG23 THR A 31 1.235 -9.586 3.205 1.00 63.13 H new ATOM 526 N PRO A 32 3.113 -14.188 2.003 1.00 44.22 N ATOM 527 CA PRO A 32 3.260 -15.406 1.211 1.00 23.25 C ATOM 528 C PRO A 32 1.883 -15.897 0.739 1.00 74.32 C ATOM 529 O PRO A 32 1.760 -16.606 -0.246 1.00 14.10 O ATOM 530 CB PRO A 32 3.887 -16.397 2.198 1.00 41.35 C ATOM 531 CG PRO A 32 3.449 -15.918 3.540 1.00 3.31 C ATOM 532 CD PRO A 32 3.377 -14.422 3.445 1.00 61.31 C ATOM 0 HA PRO A 32 3.861 -15.271 0.312 1.00 23.25 H new ATOM 0 HB2 PRO A 32 3.545 -17.415 2.009 1.00 41.35 H new ATOM 0 HB3 PRO A 32 4.974 -16.405 2.115 1.00 41.35 H new ATOM 0 HG2 PRO A 32 2.479 -16.339 3.807 1.00 3.31 H new ATOM 0 HG3 PRO A 32 4.153 -16.226 4.313 1.00 3.31 H new ATOM 0 HD2 PRO A 32 2.582 -14.016 4.071 1.00 61.31 H new ATOM 0 HD3 PRO A 32 4.307 -13.953 3.766 1.00 61.31 H new ATOM 540 N ASN A 33 0.860 -15.479 1.463 1.00 33.10 N ATOM 541 CA ASN A 33 -0.519 -15.817 1.157 1.00 22.52 C ATOM 542 C ASN A 33 -1.032 -15.010 -0.034 1.00 1.22 C ATOM 543 O ASN A 33 -1.796 -15.521 -0.849 1.00 72.12 O ATOM 544 CB ASN A 33 -1.407 -15.618 2.399 1.00 22.32 C ATOM 545 CG ASN A 33 -1.326 -14.208 2.949 1.00 63.31 C ATOM 546 OD1 ASN A 33 -0.450 -13.900 3.746 1.00 61.23 O ATOM 547 ND2 ASN A 33 -2.231 -13.354 2.558 1.00 24.34 N ATOM 0 H ASN A 33 0.964 -14.889 2.289 1.00 33.10 H new ATOM 0 HA ASN A 33 -0.563 -16.869 0.876 1.00 22.52 H new ATOM 0 HB2 ASN A 33 -2.442 -15.846 2.143 1.00 22.32 H new ATOM 0 HB3 ASN A 33 -1.107 -16.325 3.173 1.00 22.32 H new ATOM 0 HD21 ASN A 33 -2.221 -12.400 2.918 1.00 24.34 H new ATOM 0 HD22 ASN A 33 -2.949 -13.641 1.892 1.00 24.34 H new ATOM 554 N CYS A 34 -0.622 -13.757 -0.139 1.00 12.10 N ATOM 555 CA CYS A 34 -1.018 -12.960 -1.278 1.00 72.12 C ATOM 556 C CYS A 34 0.218 -12.553 -2.084 1.00 62.43 C ATOM 557 O CYS A 34 0.716 -13.341 -2.886 1.00 60.15 O ATOM 558 CB CYS A 34 -1.815 -11.728 -0.863 1.00 44.54 C ATOM 559 SG CYS A 34 -2.694 -10.917 -2.248 1.00 44.14 S ATOM 0 H CYS A 34 -0.027 -13.281 0.538 1.00 12.10 H new ATOM 0 HA CYS A 34 -1.671 -13.571 -1.902 1.00 72.12 H new ATOM 0 HB2 CYS A 34 -2.541 -12.016 -0.103 1.00 44.54 H new ATOM 0 HB3 CYS A 34 -1.139 -11.008 -0.402 1.00 44.54 H new ATOM 0 HG CYS A 34 -2.603 -9.626 -2.123 1.00 44.14 H new ATOM 564 N ALA A 35 0.745 -11.347 -1.825 1.00 13.15 N ATOM 565 CA ALA A 35 1.942 -10.857 -2.463 1.00 1.34 C ATOM 566 C ALA A 35 2.426 -9.592 -1.770 1.00 23.44 C ATOM 567 O ALA A 35 3.183 -9.667 -0.800 1.00 61.34 O ATOM 568 CB ALA A 35 1.742 -10.620 -3.962 1.00 20.10 C ATOM 0 H ALA A 35 0.337 -10.691 -1.159 1.00 13.15 H new ATOM 0 HA ALA A 35 2.707 -11.627 -2.366 1.00 1.34 H new ATOM 0 HB1 ALA A 35 2.670 -10.252 -4.399 1.00 20.10 H new ATOM 0 HB2 ALA A 35 1.461 -11.556 -4.444 1.00 20.10 H new ATOM 0 HB3 ALA A 35 0.953 -9.883 -4.112 1.00 20.10 H new ATOM 574 N LEU A 36 1.926 -8.450 -2.200 1.00 50.12 N ATOM 575 CA LEU A 36 2.361 -7.167 -1.672 1.00 2.03 C ATOM 576 C LEU A 36 1.193 -6.294 -1.333 1.00 44.51 C ATOM 577 O LEU A 36 0.422 -5.912 -2.216 1.00 43.33 O ATOM 578 CB LEU A 36 3.215 -6.415 -2.699 1.00 65.03 C ATOM 579 CG LEU A 36 4.524 -7.053 -3.125 1.00 63.13 C ATOM 580 CD1 LEU A 36 5.214 -6.170 -4.142 1.00 62.45 C ATOM 581 CD2 LEU A 36 5.411 -7.259 -1.925 1.00 5.25 C ATOM 0 H LEU A 36 1.209 -8.383 -2.923 1.00 50.12 H new ATOM 0 HA LEU A 36 2.942 -7.380 -0.775 1.00 2.03 H new ATOM 0 HB2 LEU A 36 2.609 -6.262 -3.592 1.00 65.03 H new ATOM 0 HB3 LEU A 36 3.438 -5.429 -2.293 1.00 65.03 H new ATOM 0 HG LEU A 36 4.320 -8.023 -3.578 1.00 63.13 H new ATOM 0 HD11 LEU A 36 6.154 -6.631 -4.446 1.00 62.45 H new ATOM 0 HD12 LEU A 36 4.571 -6.048 -5.014 1.00 62.45 H new ATOM 0 HD13 LEU A 36 5.415 -5.194 -3.700 1.00 62.45 H new ATOM 0 HD21 LEU A 36 6.348 -7.717 -2.240 1.00 5.25 H new ATOM 0 HD22 LEU A 36 5.617 -6.297 -1.456 1.00 5.25 H new ATOM 0 HD23 LEU A 36 4.910 -7.912 -1.210 1.00 5.25 H new ATOM 593 N GLN A 37 1.043 -5.982 -0.077 1.00 63.40 N ATOM 594 CA GLN A 37 0.036 -5.045 0.316 1.00 32.31 C ATOM 595 C GLN A 37 0.705 -3.852 0.902 1.00 21.13 C ATOM 596 O GLN A 37 1.535 -3.975 1.800 1.00 33.11 O ATOM 597 CB GLN A 37 -1.002 -5.629 1.297 1.00 24.34 C ATOM 598 CG GLN A 37 -1.871 -6.740 0.714 1.00 44.10 C ATOM 599 CD GLN A 37 -1.137 -8.042 0.459 1.00 64.54 C ATOM 600 OE1 GLN A 37 -1.458 -8.760 -0.449 1.00 73.42 O ATOM 601 NE2 GLN A 37 -0.192 -8.370 1.293 1.00 23.04 N ATOM 0 H GLN A 37 1.603 -6.361 0.687 1.00 63.40 H new ATOM 0 HA GLN A 37 -0.531 -4.772 -0.574 1.00 32.31 H new ATOM 0 HB2 GLN A 37 -0.479 -6.016 2.172 1.00 24.34 H new ATOM 0 HB3 GLN A 37 -1.649 -4.823 1.643 1.00 24.34 H new ATOM 0 HG2 GLN A 37 -2.700 -6.932 1.396 1.00 44.10 H new ATOM 0 HG3 GLN A 37 -2.304 -6.392 -0.224 1.00 44.10 H new ATOM 0 HE21 GLN A 37 0.058 -7.739 2.054 1.00 23.04 H new ATOM 0 HE22 GLN A 37 0.298 -9.258 1.185 1.00 23.04 H new ATOM 610 N ILE A 38 0.369 -2.720 0.392 1.00 55.45 N ATOM 611 CA ILE A 38 0.957 -1.481 0.822 1.00 23.13 C ATOM 612 C ILE A 38 -0.162 -0.594 1.324 1.00 32.33 C ATOM 613 O ILE A 38 -1.266 -0.671 0.810 1.00 12.35 O ATOM 614 CB ILE A 38 1.610 -0.782 -0.374 1.00 75.42 C ATOM 615 CG1 ILE A 38 2.362 -1.793 -1.247 1.00 51.33 C ATOM 616 CG2 ILE A 38 2.571 0.298 0.123 1.00 12.32 C ATOM 617 CD1 ILE A 38 2.951 -1.194 -2.489 1.00 34.02 C ATOM 0 H ILE A 38 -0.329 -2.617 -0.345 1.00 55.45 H new ATOM 0 HA ILE A 38 1.703 -1.667 1.595 1.00 23.13 H new ATOM 0 HB ILE A 38 0.829 -0.321 -0.979 1.00 75.42 H new ATOM 0 HG12 ILE A 38 3.160 -2.246 -0.658 1.00 51.33 H new ATOM 0 HG13 ILE A 38 1.680 -2.595 -1.529 1.00 51.33 H new ATOM 0 HG21 ILE A 38 3.034 0.794 -0.730 1.00 12.32 H new ATOM 0 HG22 ILE A 38 2.021 1.031 0.714 1.00 12.32 H new ATOM 0 HG23 ILE A 38 3.344 -0.159 0.741 1.00 12.32 H new ATOM 0 HD11 ILE A 38 3.468 -1.968 -3.057 1.00 34.02 H new ATOM 0 HD12 ILE A 38 2.156 -0.766 -3.099 1.00 34.02 H new ATOM 0 HD13 ILE A 38 3.659 -0.412 -2.215 1.00 34.02 H new ATOM 629 N VAL A 39 0.103 0.240 2.300 1.00 44.03 N ATOM 630 CA VAL A 39 -0.936 1.109 2.852 1.00 55.03 C ATOM 631 C VAL A 39 -0.479 2.559 2.903 1.00 52.35 C ATOM 632 O VAL A 39 0.629 2.841 3.333 1.00 14.21 O ATOM 633 CB VAL A 39 -1.425 0.641 4.260 1.00 73.10 C ATOM 634 CG1 VAL A 39 -2.097 -0.727 4.168 1.00 23.15 C ATOM 635 CG2 VAL A 39 -0.272 0.597 5.260 1.00 54.44 C ATOM 0 H VAL A 39 1.020 0.344 2.734 1.00 44.03 H new ATOM 0 HA VAL A 39 -1.786 1.037 2.173 1.00 55.03 H new ATOM 0 HB VAL A 39 -2.155 1.368 4.616 1.00 73.10 H new ATOM 0 HG11 VAL A 39 -2.431 -1.036 5.159 1.00 23.15 H new ATOM 0 HG12 VAL A 39 -2.955 -0.667 3.499 1.00 23.15 H new ATOM 0 HG13 VAL A 39 -1.386 -1.457 3.781 1.00 23.15 H new ATOM 0 HG21 VAL A 39 -0.644 0.268 6.230 1.00 54.44 H new ATOM 0 HG22 VAL A 39 0.489 -0.100 4.908 1.00 54.44 H new ATOM 0 HG23 VAL A 39 0.164 1.591 5.357 1.00 54.44 H new ATOM 645 N ALA A 40 -1.316 3.461 2.439 1.00 30.14 N ATOM 646 CA ALA A 40 -1.003 4.881 2.440 1.00 73.31 C ATOM 647 C ALA A 40 -2.027 5.663 3.196 1.00 10.22 C ATOM 648 O ALA A 40 -3.186 5.712 2.794 1.00 44.35 O ATOM 649 CB ALA A 40 -0.977 5.427 1.030 1.00 40.31 C ATOM 0 H ALA A 40 -2.232 3.236 2.050 1.00 30.14 H new ATOM 0 HA ALA A 40 -0.026 4.983 2.912 1.00 73.31 H new ATOM 0 HB1 ALA A 40 -0.741 6.491 1.056 1.00 40.31 H new ATOM 0 HB2 ALA A 40 -0.219 4.901 0.450 1.00 40.31 H new ATOM 0 HB3 ALA A 40 -1.953 5.283 0.566 1.00 40.31 H new ATOM 655 N ARG A 41 -1.631 6.251 4.282 1.00 52.31 N ATOM 656 CA ARG A 41 -2.490 7.175 4.952 1.00 43.13 C ATOM 657 C ARG A 41 -2.116 8.552 4.552 1.00 64.11 C ATOM 658 O ARG A 41 -0.965 8.977 4.718 1.00 51.03 O ATOM 659 CB ARG A 41 -2.500 7.000 6.452 1.00 25.03 C ATOM 660 CG ARG A 41 -3.335 8.019 7.189 1.00 32.44 C ATOM 661 CD ARG A 41 -3.644 7.550 8.592 1.00 75.33 C ATOM 662 NE ARG A 41 -2.436 7.210 9.338 1.00 45.43 N ATOM 663 CZ ARG A 41 -2.409 6.518 10.478 1.00 21.01 C ATOM 664 NH1 ARG A 41 -3.547 6.093 11.037 1.00 33.45 N ATOM 665 NH2 ARG A 41 -1.241 6.239 11.049 1.00 31.51 N ATOM 0 H ARG A 41 -0.722 6.108 4.722 1.00 52.31 H new ATOM 0 HA ARG A 41 -3.516 6.973 4.644 1.00 43.13 H new ATOM 0 HB2 ARG A 41 -2.872 6.003 6.688 1.00 25.03 H new ATOM 0 HB3 ARG A 41 -1.475 7.053 6.819 1.00 25.03 H new ATOM 0 HG2 ARG A 41 -2.804 8.970 7.228 1.00 32.44 H new ATOM 0 HG3 ARG A 41 -4.264 8.194 6.647 1.00 32.44 H new ATOM 0 HD2 ARG A 41 -4.189 8.331 9.123 1.00 75.33 H new ATOM 0 HD3 ARG A 41 -4.298 6.679 8.546 1.00 75.33 H new ATOM 0 HE ARG A 41 -1.544 7.526 8.958 1.00 45.43 H new ATOM 0 HH11 ARG A 41 -4.441 6.298 10.592 1.00 33.45 H new ATOM 0 HH12 ARG A 41 -3.521 5.564 11.909 1.00 33.45 H new ATOM 0 HH21 ARG A 41 -0.373 6.554 10.615 1.00 31.51 H new ATOM 0 HH22 ARG A 41 -1.213 5.710 11.921 1.00 31.51 H new ATOM 679 N LEU A 42 -3.069 9.234 4.008 1.00 62.52 N ATOM 680 CA LEU A 42 -2.843 10.554 3.465 1.00 31.42 C ATOM 681 C LEU A 42 -2.620 11.568 4.561 1.00 45.33 C ATOM 682 O LEU A 42 -3.274 11.523 5.586 1.00 14.25 O ATOM 683 CB LEU A 42 -4.009 10.998 2.563 1.00 35.11 C ATOM 684 CG LEU A 42 -4.371 10.072 1.378 1.00 51.01 C ATOM 685 CD1 LEU A 42 -5.219 10.775 0.322 1.00 34.24 C ATOM 686 CD2 LEU A 42 -3.165 9.370 0.762 1.00 12.13 C ATOM 0 H LEU A 42 -4.030 8.902 3.922 1.00 62.52 H new ATOM 0 HA LEU A 42 -1.940 10.499 2.857 1.00 31.42 H new ATOM 0 HB2 LEU A 42 -4.895 11.112 3.187 1.00 35.11 H new ATOM 0 HB3 LEU A 42 -3.772 11.984 2.163 1.00 35.11 H new ATOM 0 HG LEU A 42 -4.987 9.284 1.812 1.00 51.01 H new ATOM 0 HD11 LEU A 42 -5.444 10.079 -0.486 1.00 34.24 H new ATOM 0 HD12 LEU A 42 -6.149 11.120 0.773 1.00 34.24 H new ATOM 0 HD13 LEU A 42 -4.670 11.629 -0.076 1.00 34.24 H new ATOM 0 HD21 LEU A 42 -3.494 8.738 -0.063 1.00 12.13 H new ATOM 0 HD22 LEU A 42 -2.461 10.115 0.390 1.00 12.13 H new ATOM 0 HD23 LEU A 42 -2.677 8.755 1.518 1.00 12.13 H new ATOM 698 N LYS A 43 -1.690 12.465 4.347 1.00 10.35 N ATOM 699 CA LYS A 43 -1.424 13.529 5.294 1.00 3.31 C ATOM 700 C LYS A 43 -2.601 14.484 5.306 1.00 42.05 C ATOM 701 O LYS A 43 -3.027 14.964 6.354 1.00 11.24 O ATOM 702 CB LYS A 43 -0.174 14.308 4.904 1.00 20.11 C ATOM 703 CG LYS A 43 1.077 13.517 4.826 1.00 35.43 C ATOM 704 CD LYS A 43 2.204 14.429 4.431 1.00 13.14 C ATOM 705 CE LYS A 43 3.506 13.741 4.569 1.00 23.11 C ATOM 706 NZ LYS A 43 4.640 14.622 4.212 1.00 71.11 N ATOM 0 H LYS A 43 -1.097 12.482 3.517 1.00 10.35 H new ATOM 0 HA LYS A 43 -1.272 13.085 6.278 1.00 3.31 H new ATOM 0 HB2 LYS A 43 -0.347 14.776 3.935 1.00 20.11 H new ATOM 0 HB3 LYS A 43 -0.029 15.112 5.625 1.00 20.11 H new ATOM 0 HG2 LYS A 43 1.289 13.050 5.788 1.00 35.43 H new ATOM 0 HG3 LYS A 43 0.970 12.713 4.098 1.00 35.43 H new ATOM 0 HD2 LYS A 43 2.068 14.758 3.401 1.00 13.14 H new ATOM 0 HD3 LYS A 43 2.191 15.323 5.055 1.00 13.14 H new ATOM 0 HE2 LYS A 43 3.626 13.394 5.595 1.00 23.11 H new ATOM 0 HE3 LYS A 43 3.519 12.858 3.931 1.00 23.11 H new ATOM 0 HZ1 LYS A 43 5.536 14.129 4.403 1.00 71.11 H new ATOM 0 HZ2 LYS A 43 4.587 14.864 3.202 1.00 71.11 H new ATOM 0 HZ3 LYS A 43 4.596 15.492 4.780 1.00 71.11 H new ATOM 720 N ASN A 44 -3.121 14.747 4.128 1.00 3.41 N ATOM 721 CA ASN A 44 -4.236 15.656 3.966 1.00 71.13 C ATOM 722 C ASN A 44 -5.560 14.969 4.250 1.00 24.31 C ATOM 723 O ASN A 44 -6.307 15.390 5.131 1.00 21.33 O ATOM 724 CB ASN A 44 -4.242 16.251 2.555 1.00 42.34 C ATOM 725 CG ASN A 44 -5.411 17.191 2.306 1.00 4.43 C ATOM 726 OD1 ASN A 44 -6.484 16.765 1.879 1.00 31.14 O ATOM 727 ND2 ASN A 44 -5.212 18.462 2.562 1.00 31.51 N ATOM 0 H ASN A 44 -2.784 14.338 3.256 1.00 3.41 H new ATOM 0 HA ASN A 44 -4.113 16.461 4.690 1.00 71.13 H new ATOM 0 HB2 ASN A 44 -3.309 16.791 2.391 1.00 42.34 H new ATOM 0 HB3 ASN A 44 -4.274 15.441 1.826 1.00 42.34 H new ATOM 0 HD21 ASN A 44 -5.961 19.137 2.408 1.00 31.51 H new ATOM 0 HD22 ASN A 44 -4.308 18.776 2.915 1.00 31.51 H new ATOM 734 N ASN A 45 -5.845 13.899 3.508 1.00 35.45 N ATOM 735 CA ASN A 45 -7.129 13.195 3.641 1.00 52.33 C ATOM 736 C ASN A 45 -7.225 12.457 4.969 1.00 50.20 C ATOM 737 O ASN A 45 -8.316 12.239 5.491 1.00 62.33 O ATOM 738 CB ASN A 45 -7.353 12.230 2.479 1.00 73.43 C ATOM 739 CG ASN A 45 -8.752 11.629 2.440 1.00 25.14 C ATOM 740 OD1 ASN A 45 -9.725 12.246 2.853 1.00 75.44 O ATOM 741 ND2 ASN A 45 -8.857 10.428 1.938 1.00 3.44 N ATOM 0 H ASN A 45 -5.213 13.500 2.813 1.00 35.45 H new ATOM 0 HA ASN A 45 -7.915 13.950 3.616 1.00 52.33 H new ATOM 0 HB2 ASN A 45 -7.167 12.755 1.542 1.00 73.43 H new ATOM 0 HB3 ASN A 45 -6.623 11.423 2.543 1.00 73.43 H new ATOM 0 HD21 ASN A 45 -9.770 9.977 1.881 1.00 3.44 H new ATOM 0 HD22 ASN A 45 -8.026 9.941 1.602 1.00 3.44 H new ATOM 748 N ASN A 46 -6.060 12.082 5.507 1.00 51.45 N ATOM 749 CA ASN A 46 -5.927 11.342 6.790 1.00 31.14 C ATOM 750 C ASN A 46 -6.458 9.915 6.659 1.00 14.32 C ATOM 751 O ASN A 46 -6.499 9.151 7.611 1.00 40.23 O ATOM 752 CB ASN A 46 -6.571 12.129 7.981 1.00 20.01 C ATOM 753 CG ASN A 46 -6.393 11.467 9.352 1.00 21.23 C ATOM 754 OD1 ASN A 46 -7.243 10.690 9.807 1.00 63.55 O ATOM 755 ND2 ASN A 46 -5.302 11.768 10.016 1.00 24.24 N ATOM 0 H ASN A 46 -5.162 12.282 5.065 1.00 51.45 H new ATOM 0 HA ASN A 46 -4.866 11.259 7.025 1.00 31.14 H new ATOM 0 HB2 ASN A 46 -6.138 13.129 8.016 1.00 20.01 H new ATOM 0 HB3 ASN A 46 -7.637 12.250 7.786 1.00 20.01 H new ATOM 0 HD21 ASN A 46 -5.135 11.358 10.935 1.00 24.24 H new ATOM 0 HD22 ASN A 46 -4.621 12.412 9.613 1.00 24.24 H new ATOM 762 N ARG A 47 -6.789 9.530 5.455 1.00 2.41 N ATOM 763 CA ARG A 47 -7.320 8.215 5.249 1.00 15.25 C ATOM 764 C ARG A 47 -6.310 7.329 4.615 1.00 15.31 C ATOM 765 O ARG A 47 -5.441 7.783 3.870 1.00 34.33 O ATOM 766 CB ARG A 47 -8.629 8.214 4.474 1.00 44.32 C ATOM 767 CG ARG A 47 -9.748 8.952 5.178 1.00 10.14 C ATOM 768 CD ARG A 47 -11.045 8.833 4.418 1.00 72.24 C ATOM 769 NE ARG A 47 -12.130 9.563 5.080 1.00 30.34 N ATOM 770 CZ ARG A 47 -13.436 9.350 4.868 1.00 21.24 C ATOM 771 NH1 ARG A 47 -13.834 8.434 3.995 1.00 13.31 N ATOM 772 NH2 ARG A 47 -14.338 10.068 5.529 1.00 40.14 N ATOM 0 H ARG A 47 -6.701 10.101 4.615 1.00 2.41 H new ATOM 0 HA ARG A 47 -7.556 7.816 6.235 1.00 15.25 H new ATOM 0 HB2 ARG A 47 -8.464 8.668 3.497 1.00 44.32 H new ATOM 0 HB3 ARG A 47 -8.938 7.183 4.299 1.00 44.32 H new ATOM 0 HG2 ARG A 47 -9.875 8.551 6.184 1.00 10.14 H new ATOM 0 HG3 ARG A 47 -9.482 10.004 5.285 1.00 10.14 H new ATOM 0 HD2 ARG A 47 -10.911 9.218 3.407 1.00 72.24 H new ATOM 0 HD3 ARG A 47 -11.317 7.782 4.325 1.00 72.24 H new ATOM 0 HE ARG A 47 -11.872 10.286 5.751 1.00 30.34 H new ATOM 0 HH11 ARG A 47 -13.144 7.887 3.480 1.00 13.31 H new ATOM 0 HH12 ARG A 47 -14.830 8.277 3.839 1.00 13.31 H new ATOM 0 HH21 ARG A 47 -14.035 10.779 6.195 1.00 40.14 H new ATOM 0 HH22 ARG A 47 -15.333 9.908 5.370 1.00 40.14 H new ATOM 786 N GLN A 48 -6.410 6.090 4.930 1.00 20.43 N ATOM 787 CA GLN A 48 -5.533 5.094 4.490 1.00 30.25 C ATOM 788 C GLN A 48 -6.151 4.252 3.407 1.00 34.33 C ATOM 789 O GLN A 48 -7.268 3.741 3.552 1.00 4.41 O ATOM 790 CB GLN A 48 -5.120 4.258 5.680 1.00 21.12 C ATOM 791 CG GLN A 48 -4.477 2.948 5.329 1.00 43.04 C ATOM 792 CD GLN A 48 -4.013 2.150 6.535 1.00 24.32 C ATOM 793 OE1 GLN A 48 -4.008 0.926 6.505 1.00 5.41 O ATOM 794 NE2 GLN A 48 -3.614 2.823 7.592 1.00 15.21 N ATOM 0 H GLN A 48 -7.150 5.735 5.535 1.00 20.43 H new ATOM 0 HA GLN A 48 -4.650 5.556 4.049 1.00 30.25 H new ATOM 0 HB2 GLN A 48 -4.427 4.836 6.291 1.00 21.12 H new ATOM 0 HB3 GLN A 48 -5.999 4.063 6.294 1.00 21.12 H new ATOM 0 HG2 GLN A 48 -5.186 2.348 4.759 1.00 43.04 H new ATOM 0 HG3 GLN A 48 -3.623 3.136 4.679 1.00 43.04 H new ATOM 0 HE21 GLN A 48 -3.631 3.843 7.584 1.00 15.21 H new ATOM 0 HE22 GLN A 48 -3.287 2.325 8.420 1.00 15.21 H new ATOM 803 N VAL A 49 -5.436 4.137 2.333 1.00 60.55 N ATOM 804 CA VAL A 49 -5.816 3.323 1.221 1.00 10.22 C ATOM 805 C VAL A 49 -4.656 2.426 0.838 1.00 23.22 C ATOM 806 O VAL A 49 -3.494 2.812 0.970 1.00 15.52 O ATOM 807 CB VAL A 49 -6.277 4.164 -0.013 1.00 33.11 C ATOM 808 CG1 VAL A 49 -7.568 4.910 0.293 1.00 71.32 C ATOM 809 CG2 VAL A 49 -5.193 5.152 -0.440 1.00 72.20 C ATOM 0 H VAL A 49 -4.547 4.620 2.201 1.00 60.55 H new ATOM 0 HA VAL A 49 -6.673 2.723 1.529 1.00 10.22 H new ATOM 0 HB VAL A 49 -6.458 3.472 -0.835 1.00 33.11 H new ATOM 0 HG11 VAL A 49 -7.870 5.488 -0.580 1.00 71.32 H new ATOM 0 HG12 VAL A 49 -8.351 4.194 0.543 1.00 71.32 H new ATOM 0 HG13 VAL A 49 -7.409 5.582 1.136 1.00 71.32 H new ATOM 0 HG21 VAL A 49 -5.540 5.724 -1.300 1.00 72.20 H new ATOM 0 HG22 VAL A 49 -4.975 5.832 0.384 1.00 72.20 H new ATOM 0 HG23 VAL A 49 -4.288 4.606 -0.708 1.00 72.20 H new ATOM 819 N CYS A 50 -4.967 1.236 0.439 1.00 41.32 N ATOM 820 CA CYS A 50 -3.979 0.283 -0.023 1.00 20.31 C ATOM 821 C CYS A 50 -3.354 0.779 -1.327 1.00 14.13 C ATOM 822 O CYS A 50 -4.060 1.189 -2.220 1.00 4.34 O ATOM 823 CB CYS A 50 -4.653 -1.071 -0.223 1.00 73.31 C ATOM 824 SG CYS A 50 -5.402 -1.757 1.311 1.00 43.24 S ATOM 0 H CYS A 50 -5.923 0.882 0.420 1.00 41.32 H new ATOM 0 HA CYS A 50 -3.185 0.178 0.716 1.00 20.31 H new ATOM 0 HB2 CYS A 50 -5.428 -0.972 -0.983 1.00 73.31 H new ATOM 0 HB3 CYS A 50 -3.919 -1.779 -0.607 1.00 73.31 H new ATOM 829 N ILE A 51 -2.041 0.759 -1.420 1.00 53.43 N ATOM 830 CA ILE A 51 -1.359 1.275 -2.605 1.00 35.03 C ATOM 831 C ILE A 51 -1.053 0.130 -3.539 1.00 65.21 C ATOM 832 O ILE A 51 -0.707 -0.964 -3.080 1.00 64.12 O ATOM 833 CB ILE A 51 -0.005 1.935 -2.261 1.00 24.33 C ATOM 834 CG1 ILE A 51 -0.100 2.791 -1.012 1.00 54.55 C ATOM 835 CG2 ILE A 51 0.463 2.786 -3.437 1.00 64.34 C ATOM 836 CD1 ILE A 51 1.221 3.422 -0.629 1.00 33.24 C ATOM 0 H ILE A 51 -1.421 0.394 -0.697 1.00 53.43 H new ATOM 0 HA ILE A 51 -2.021 2.016 -3.053 1.00 35.03 H new ATOM 0 HB ILE A 51 0.717 1.142 -2.066 1.00 24.33 H new ATOM 0 HG12 ILE A 51 -0.839 3.576 -1.171 1.00 54.55 H new ATOM 0 HG13 ILE A 51 -0.458 2.179 -0.184 1.00 54.55 H new ATOM 0 HG21 ILE A 51 1.418 3.251 -3.192 1.00 64.34 H new ATOM 0 HG22 ILE A 51 0.581 2.155 -4.318 1.00 64.34 H new ATOM 0 HG23 ILE A 51 -0.276 3.561 -3.642 1.00 64.34 H new ATOM 0 HD11 ILE A 51 1.090 4.022 0.271 1.00 33.24 H new ATOM 0 HD12 ILE A 51 1.957 2.640 -0.440 1.00 33.24 H new ATOM 0 HD13 ILE A 51 1.569 4.059 -1.442 1.00 33.24 H new ATOM 848 N ASP A 52 -1.164 0.369 -4.829 1.00 73.54 N ATOM 849 CA ASP A 52 -0.848 -0.656 -5.801 1.00 42.54 C ATOM 850 C ASP A 52 0.662 -0.686 -6.006 1.00 72.12 C ATOM 851 O ASP A 52 1.278 0.357 -6.280 1.00 2.50 O ATOM 852 CB ASP A 52 -1.520 -0.383 -7.153 1.00 41.35 C ATOM 853 CG ASP A 52 -1.394 -1.568 -8.096 1.00 44.40 C ATOM 854 OD1 ASP A 52 -0.277 -1.951 -8.443 1.00 20.41 O ATOM 855 OD2 ASP A 52 -2.437 -2.125 -8.519 1.00 65.45 O ATOM 0 H ASP A 52 -1.468 1.258 -5.227 1.00 73.54 H new ATOM 0 HA ASP A 52 -1.216 -1.609 -5.422 1.00 42.54 H new ATOM 0 HB2 ASP A 52 -2.574 -0.155 -6.995 1.00 41.35 H new ATOM 0 HB3 ASP A 52 -1.069 0.496 -7.612 1.00 41.35 H new ATOM 860 N PRO A 53 1.283 -1.862 -5.888 1.00 30.45 N ATOM 861 CA PRO A 53 2.729 -2.025 -6.068 1.00 2.31 C ATOM 862 C PRO A 53 3.248 -1.792 -7.524 1.00 31.02 C ATOM 863 O PRO A 53 4.397 -2.130 -7.825 1.00 1.21 O ATOM 864 CB PRO A 53 2.983 -3.471 -5.624 1.00 54.41 C ATOM 865 CG PRO A 53 1.675 -4.158 -5.814 1.00 4.33 C ATOM 866 CD PRO A 53 0.627 -3.134 -5.519 1.00 64.14 C ATOM 0 HA PRO A 53 3.269 -1.271 -5.495 1.00 2.31 H new ATOM 0 HB2 PRO A 53 3.766 -3.937 -6.222 1.00 54.41 H new ATOM 0 HB3 PRO A 53 3.307 -3.515 -4.584 1.00 54.41 H new ATOM 0 HG2 PRO A 53 1.576 -4.536 -6.832 1.00 4.33 H new ATOM 0 HG3 PRO A 53 1.583 -5.014 -5.146 1.00 4.33 H new ATOM 0 HD2 PRO A 53 -0.278 -3.304 -6.103 1.00 64.14 H new ATOM 0 HD3 PRO A 53 0.336 -3.147 -4.469 1.00 64.14 H new ATOM 874 N LYS A 54 2.410 -1.244 -8.427 1.00 31.23 N ATOM 875 CA LYS A 54 2.895 -0.885 -9.775 1.00 65.21 C ATOM 876 C LYS A 54 3.720 0.384 -9.688 1.00 21.21 C ATOM 877 O LYS A 54 4.607 0.614 -10.515 1.00 4.14 O ATOM 878 CB LYS A 54 1.768 -0.624 -10.823 1.00 11.01 C ATOM 879 CG LYS A 54 0.738 -1.736 -11.146 1.00 50.34 C ATOM 880 CD LYS A 54 1.331 -3.076 -11.600 1.00 33.40 C ATOM 881 CE LYS A 54 1.889 -3.885 -10.442 1.00 11.24 C ATOM 882 NZ LYS A 54 0.839 -4.184 -9.430 1.00 62.45 N ATOM 0 H LYS A 54 1.424 -1.045 -8.256 1.00 31.23 H new ATOM 0 HA LYS A 54 3.469 -1.748 -10.114 1.00 65.21 H new ATOM 0 HB2 LYS A 54 1.208 0.249 -10.487 1.00 11.01 H new ATOM 0 HB3 LYS A 54 2.253 -0.350 -11.760 1.00 11.01 H new ATOM 0 HG2 LYS A 54 0.128 -1.910 -10.259 1.00 50.34 H new ATOM 0 HG3 LYS A 54 0.069 -1.372 -11.926 1.00 50.34 H new ATOM 0 HD2 LYS A 54 0.561 -3.657 -12.108 1.00 33.40 H new ATOM 0 HD3 LYS A 54 2.123 -2.892 -12.326 1.00 33.40 H new ATOM 0 HE2 LYS A 54 2.310 -4.818 -10.818 1.00 11.24 H new ATOM 0 HE3 LYS A 54 2.703 -3.335 -9.971 1.00 11.24 H new ATOM 0 HZ1 LYS A 54 1.131 -5.003 -8.859 1.00 62.45 H new ATOM 0 HZ2 LYS A 54 0.708 -3.359 -8.811 1.00 62.45 H new ATOM 0 HZ3 LYS A 54 -0.057 -4.400 -9.912 1.00 62.45 H new ATOM 896 N LEU A 55 3.425 1.212 -8.682 1.00 4.11 N ATOM 897 CA LEU A 55 4.088 2.501 -8.535 1.00 30.25 C ATOM 898 C LEU A 55 5.570 2.307 -8.296 1.00 5.31 C ATOM 899 O LEU A 55 5.982 1.660 -7.325 1.00 61.41 O ATOM 900 CB LEU A 55 3.456 3.326 -7.412 1.00 50.42 C ATOM 901 CG LEU A 55 1.956 3.621 -7.548 1.00 4.21 C ATOM 902 CD1 LEU A 55 1.468 4.467 -6.389 1.00 40.33 C ATOM 903 CD2 LEU A 55 1.656 4.310 -8.865 1.00 42.04 C ATOM 0 H LEU A 55 2.732 1.009 -7.961 1.00 4.11 H new ATOM 0 HA LEU A 55 3.958 3.057 -9.463 1.00 30.25 H new ATOM 0 HB2 LEU A 55 3.618 2.802 -6.470 1.00 50.42 H new ATOM 0 HB3 LEU A 55 3.987 4.276 -7.344 1.00 50.42 H new ATOM 0 HG LEU A 55 1.425 2.669 -7.530 1.00 4.21 H new ATOM 0 HD11 LEU A 55 0.402 4.664 -6.506 1.00 40.33 H new ATOM 0 HD12 LEU A 55 1.638 3.935 -5.453 1.00 40.33 H new ATOM 0 HD13 LEU A 55 2.012 5.411 -6.373 1.00 40.33 H new ATOM 0 HD21 LEU A 55 0.587 4.508 -8.937 1.00 42.04 H new ATOM 0 HD22 LEU A 55 2.203 5.251 -8.916 1.00 42.04 H new ATOM 0 HD23 LEU A 55 1.962 3.667 -9.690 1.00 42.04 H new ATOM 915 N LYS A 56 6.366 2.866 -9.178 1.00 42.40 N ATOM 916 CA LYS A 56 7.792 2.681 -9.140 1.00 41.12 C ATOM 917 C LYS A 56 8.372 3.407 -7.931 1.00 32.31 C ATOM 918 O LYS A 56 9.313 2.919 -7.313 1.00 62.34 O ATOM 919 CB LYS A 56 8.445 3.181 -10.446 1.00 25.20 C ATOM 920 CG LYS A 56 9.644 2.339 -10.946 1.00 13.15 C ATOM 921 CD LYS A 56 10.813 2.237 -9.969 1.00 0.10 C ATOM 922 CE LYS A 56 11.914 1.345 -10.549 1.00 44.53 C ATOM 923 NZ LYS A 56 13.030 1.116 -9.604 1.00 2.33 N ATOM 0 H LYS A 56 6.040 3.461 -9.940 1.00 42.40 H new ATOM 0 HA LYS A 56 8.007 1.616 -9.049 1.00 41.12 H new ATOM 0 HB2 LYS A 56 7.686 3.203 -11.228 1.00 25.20 H new ATOM 0 HB3 LYS A 56 8.779 4.208 -10.297 1.00 25.20 H new ATOM 0 HG2 LYS A 56 9.292 1.333 -11.174 1.00 13.15 H new ATOM 0 HG3 LYS A 56 10.007 2.769 -11.879 1.00 13.15 H new ATOM 0 HD2 LYS A 56 11.211 3.230 -9.763 1.00 0.10 H new ATOM 0 HD3 LYS A 56 10.467 1.829 -9.019 1.00 0.10 H new ATOM 0 HE2 LYS A 56 11.484 0.385 -10.834 1.00 44.53 H new ATOM 0 HE3 LYS A 56 12.303 1.803 -11.459 1.00 44.53 H new ATOM 0 HZ1 LYS A 56 13.728 0.479 -10.039 1.00 2.33 H new ATOM 0 HZ2 LYS A 56 13.484 2.024 -9.377 1.00 2.33 H new ATOM 0 HZ3 LYS A 56 12.663 0.684 -8.732 1.00 2.33 H new ATOM 937 N TRP A 57 7.779 4.560 -7.560 1.00 35.54 N ATOM 938 CA TRP A 57 8.300 5.327 -6.422 1.00 32.43 C ATOM 939 C TRP A 57 8.203 4.501 -5.141 1.00 10.11 C ATOM 940 O TRP A 57 9.035 4.611 -4.252 1.00 44.43 O ATOM 941 CB TRP A 57 7.608 6.728 -6.242 1.00 54.35 C ATOM 942 CG TRP A 57 6.159 6.726 -5.764 1.00 23.10 C ATOM 943 CD1 TRP A 57 5.032 6.889 -6.513 1.00 4.25 C ATOM 944 CD2 TRP A 57 5.710 6.571 -4.402 1.00 4.21 C ATOM 945 NE1 TRP A 57 3.914 6.844 -5.697 1.00 54.12 N ATOM 946 CE2 TRP A 57 4.310 6.643 -4.402 1.00 55.33 C ATOM 947 CE3 TRP A 57 6.370 6.372 -3.192 1.00 53.41 C ATOM 948 CZ2 TRP A 57 3.556 6.521 -3.222 1.00 2.41 C ATOM 949 CZ3 TRP A 57 5.631 6.249 -2.046 1.00 65.10 C ATOM 950 CH2 TRP A 57 4.240 6.324 -2.067 1.00 75.23 C ATOM 0 H TRP A 57 6.964 4.967 -8.019 1.00 35.54 H new ATOM 0 HA TRP A 57 9.347 5.538 -6.639 1.00 32.43 H new ATOM 0 HB2 TRP A 57 8.198 7.309 -5.533 1.00 54.35 H new ATOM 0 HB3 TRP A 57 7.649 7.252 -7.197 1.00 54.35 H new ATOM 0 HD1 TRP A 57 5.014 7.032 -7.583 1.00 4.25 H new ATOM 0 HE1 TRP A 57 2.949 6.945 -6.011 1.00 54.12 H new ATOM 0 HE3 TRP A 57 7.448 6.316 -3.158 1.00 53.41 H new ATOM 0 HZ2 TRP A 57 2.478 6.582 -3.234 1.00 2.41 H new ATOM 0 HZ3 TRP A 57 6.137 6.090 -1.105 1.00 65.10 H new ATOM 0 HH2 TRP A 57 3.693 6.223 -1.141 1.00 75.23 H new ATOM 961 N ILE A 58 7.177 3.662 -5.082 1.00 64.35 N ATOM 962 CA ILE A 58 6.933 2.786 -3.950 1.00 35.20 C ATOM 963 C ILE A 58 8.081 1.815 -3.755 1.00 22.14 C ATOM 964 O ILE A 58 8.672 1.748 -2.682 1.00 11.34 O ATOM 965 CB ILE A 58 5.611 1.983 -4.205 1.00 5.55 C ATOM 966 CG1 ILE A 58 4.383 2.815 -3.876 1.00 35.33 C ATOM 967 CG2 ILE A 58 5.577 0.649 -3.484 1.00 64.02 C ATOM 968 CD1 ILE A 58 4.245 3.084 -2.418 1.00 2.12 C ATOM 0 H ILE A 58 6.486 3.572 -5.827 1.00 64.35 H new ATOM 0 HA ILE A 58 6.842 3.394 -3.050 1.00 35.20 H new ATOM 0 HB ILE A 58 5.595 1.758 -5.271 1.00 5.55 H new ATOM 0 HG12 ILE A 58 4.437 3.762 -4.413 1.00 35.33 H new ATOM 0 HG13 ILE A 58 3.492 2.297 -4.232 1.00 35.33 H new ATOM 0 HG21 ILE A 58 4.637 0.142 -3.701 1.00 64.02 H new ATOM 0 HG22 ILE A 58 6.409 0.031 -3.822 1.00 64.02 H new ATOM 0 HG23 ILE A 58 5.661 0.814 -2.410 1.00 64.02 H new ATOM 0 HD11 ILE A 58 3.351 3.682 -2.241 1.00 2.12 H new ATOM 0 HD12 ILE A 58 4.162 2.140 -1.880 1.00 2.12 H new ATOM 0 HD13 ILE A 58 5.121 3.628 -2.064 1.00 2.12 H new ATOM 980 N GLN A 59 8.428 1.116 -4.796 1.00 72.42 N ATOM 981 CA GLN A 59 9.469 0.139 -4.703 1.00 63.02 C ATOM 982 C GLN A 59 10.828 0.788 -4.615 1.00 22.14 C ATOM 983 O GLN A 59 11.712 0.282 -3.967 1.00 35.11 O ATOM 984 CB GLN A 59 9.397 -0.852 -5.835 1.00 53.41 C ATOM 985 CG GLN A 59 9.531 -0.246 -7.203 1.00 70.54 C ATOM 986 CD GLN A 59 9.405 -1.264 -8.280 1.00 65.24 C ATOM 987 OE1 GLN A 59 9.998 -1.127 -9.338 1.00 33.34 O ATOM 988 NE2 GLN A 59 8.621 -2.283 -8.032 1.00 50.00 N ATOM 0 H GLN A 59 8.004 1.206 -5.719 1.00 72.42 H new ATOM 0 HA GLN A 59 9.316 -0.416 -3.778 1.00 63.02 H new ATOM 0 HB2 GLN A 59 10.184 -1.594 -5.702 1.00 53.41 H new ATOM 0 HB3 GLN A 59 8.446 -1.382 -5.778 1.00 53.41 H new ATOM 0 HG2 GLN A 59 8.766 0.519 -7.337 1.00 70.54 H new ATOM 0 HG3 GLN A 59 10.497 0.251 -7.286 1.00 70.54 H new ATOM 0 HE21 GLN A 59 8.146 -2.354 -7.132 1.00 50.00 H new ATOM 0 HE22 GLN A 59 8.485 -3.006 -8.739 1.00 50.00 H new ATOM 997 N GLU A 60 10.972 1.942 -5.232 1.00 14.10 N ATOM 998 CA GLU A 60 12.256 2.631 -5.263 1.00 64.24 C ATOM 999 C GLU A 60 12.559 3.267 -3.894 1.00 13.13 C ATOM 1000 O GLU A 60 13.677 3.712 -3.615 1.00 54.52 O ATOM 1001 CB GLU A 60 12.251 3.684 -6.376 1.00 23.13 C ATOM 1002 CG GLU A 60 13.597 4.268 -6.729 1.00 61.24 C ATOM 1003 CD GLU A 60 14.486 3.259 -7.400 1.00 25.11 C ATOM 1004 OE1 GLU A 60 14.432 3.149 -8.646 1.00 33.33 O ATOM 1005 OE2 GLU A 60 15.230 2.558 -6.719 1.00 51.12 O ATOM 0 H GLU A 60 10.219 2.427 -5.720 1.00 14.10 H new ATOM 0 HA GLU A 60 13.046 1.910 -5.474 1.00 64.24 H new ATOM 0 HB2 GLU A 60 11.823 3.236 -7.273 1.00 23.13 H new ATOM 0 HB3 GLU A 60 11.589 4.497 -6.079 1.00 23.13 H new ATOM 0 HG2 GLU A 60 13.459 5.126 -7.387 1.00 61.24 H new ATOM 0 HG3 GLU A 60 14.082 4.635 -5.825 1.00 61.24 H new ATOM 1012 N TYR A 61 11.575 3.277 -3.064 1.00 31.05 N ATOM 1013 CA TYR A 61 11.685 3.823 -1.757 1.00 64.33 C ATOM 1014 C TYR A 61 11.647 2.696 -0.756 1.00 63.34 C ATOM 1015 O TYR A 61 12.647 2.372 -0.124 1.00 23.42 O ATOM 1016 CB TYR A 61 10.551 4.856 -1.540 1.00 21.10 C ATOM 1017 CG TYR A 61 10.367 5.394 -0.131 1.00 21.44 C ATOM 1018 CD1 TYR A 61 11.413 5.442 0.782 1.00 13.51 C ATOM 1019 CD2 TYR A 61 9.117 5.839 0.279 1.00 5.33 C ATOM 1020 CE1 TYR A 61 11.217 5.921 2.064 1.00 75.24 C ATOM 1021 CE2 TYR A 61 8.912 6.317 1.552 1.00 71.24 C ATOM 1022 CZ TYR A 61 9.964 6.357 2.444 1.00 71.23 C ATOM 1023 OH TYR A 61 9.763 6.834 3.725 1.00 63.40 O ATOM 0 H TYR A 61 10.653 2.898 -3.279 1.00 31.05 H new ATOM 0 HA TYR A 61 12.630 4.350 -1.626 1.00 64.33 H new ATOM 0 HB2 TYR A 61 10.731 5.701 -2.204 1.00 21.10 H new ATOM 0 HB3 TYR A 61 9.612 4.399 -1.853 1.00 21.10 H new ATOM 0 HD1 TYR A 61 12.394 5.100 0.486 1.00 13.51 H new ATOM 0 HD2 TYR A 61 8.290 5.809 -0.415 1.00 5.33 H new ATOM 0 HE1 TYR A 61 12.039 5.954 2.764 1.00 75.24 H new ATOM 0 HE2 TYR A 61 7.933 6.659 1.852 1.00 71.24 H new ATOM 0 HH TYR A 61 8.826 7.102 3.831 1.00 63.40 H new ATOM 1033 N LEU A 62 10.529 2.062 -0.665 1.00 3.35 N ATOM 1034 CA LEU A 62 10.338 0.993 0.285 1.00 32.22 C ATOM 1035 C LEU A 62 11.174 -0.216 -0.019 1.00 5.03 C ATOM 1036 O LEU A 62 11.730 -0.825 0.879 1.00 32.13 O ATOM 1037 CB LEU A 62 8.867 0.574 0.401 1.00 62.22 C ATOM 1038 CG LEU A 62 7.888 1.539 1.085 1.00 3.34 C ATOM 1039 CD1 LEU A 62 8.351 1.908 2.489 1.00 62.41 C ATOM 1040 CD2 LEU A 62 7.637 2.766 0.244 1.00 41.33 C ATOM 0 H LEU A 62 9.713 2.262 -1.243 1.00 3.35 H new ATOM 0 HA LEU A 62 10.666 1.404 1.240 1.00 32.22 H new ATOM 0 HB2 LEU A 62 8.496 0.381 -0.606 1.00 62.22 H new ATOM 0 HB3 LEU A 62 8.832 -0.373 0.940 1.00 62.22 H new ATOM 0 HG LEU A 62 6.937 1.015 1.185 1.00 3.34 H new ATOM 0 HD11 LEU A 62 7.633 2.592 2.941 1.00 62.41 H new ATOM 0 HD12 LEU A 62 8.425 1.006 3.097 1.00 62.41 H new ATOM 0 HD13 LEU A 62 9.327 2.390 2.435 1.00 62.41 H new ATOM 0 HD21 LEU A 62 6.939 3.425 0.761 1.00 41.33 H new ATOM 0 HD22 LEU A 62 8.577 3.292 0.078 1.00 41.33 H new ATOM 0 HD23 LEU A 62 7.213 2.469 -0.715 1.00 41.33 H new ATOM 1052 N GLU A 63 11.343 -0.532 -1.254 1.00 30.02 N ATOM 1053 CA GLU A 63 11.945 -1.799 -1.559 1.00 53.35 C ATOM 1054 C GLU A 63 13.381 -1.671 -1.879 1.00 42.53 C ATOM 1055 O GLU A 63 14.143 -2.583 -1.676 1.00 11.23 O ATOM 1056 CB GLU A 63 11.177 -2.564 -2.628 1.00 42.34 C ATOM 1057 CG GLU A 63 9.804 -3.029 -2.160 1.00 4.25 C ATOM 1058 CD GLU A 63 9.894 -3.991 -0.976 1.00 11.32 C ATOM 1059 OE1 GLU A 63 10.044 -5.197 -1.206 1.00 41.22 O ATOM 1060 OE2 GLU A 63 9.830 -3.548 0.197 1.00 53.41 O ATOM 0 H GLU A 63 11.085 0.044 -2.055 1.00 30.02 H new ATOM 0 HA GLU A 63 11.883 -2.399 -0.651 1.00 53.35 H new ATOM 0 HB2 GLU A 63 11.059 -1.929 -3.506 1.00 42.34 H new ATOM 0 HB3 GLU A 63 11.762 -3.431 -2.937 1.00 42.34 H new ATOM 0 HG2 GLU A 63 9.205 -2.163 -1.878 1.00 4.25 H new ATOM 0 HG3 GLU A 63 9.287 -3.518 -2.985 1.00 4.25 H new ATOM 1067 N LYS A 64 13.771 -0.535 -2.342 1.00 23.31 N ATOM 1068 CA LYS A 64 15.118 -0.373 -2.738 1.00 64.15 C ATOM 1069 C LYS A 64 15.910 0.250 -1.624 1.00 75.05 C ATOM 1070 O LYS A 64 17.098 0.037 -1.518 1.00 1.50 O ATOM 1071 CB LYS A 64 15.222 0.442 -4.022 1.00 4.33 C ATOM 1072 CG LYS A 64 16.621 0.487 -4.622 1.00 53.45 C ATOM 1073 CD LYS A 64 17.095 -0.909 -5.000 1.00 33.21 C ATOM 1074 CE LYS A 64 18.458 -0.875 -5.651 1.00 14.45 C ATOM 1075 NZ LYS A 64 18.919 -2.227 -6.024 1.00 54.02 N ATOM 0 H LYS A 64 13.179 0.288 -2.454 1.00 23.31 H new ATOM 0 HA LYS A 64 15.539 -1.356 -2.949 1.00 64.15 H new ATOM 0 HB2 LYS A 64 14.536 0.026 -4.760 1.00 4.33 H new ATOM 0 HB3 LYS A 64 14.893 1.461 -3.820 1.00 4.33 H new ATOM 0 HG2 LYS A 64 16.622 1.127 -5.504 1.00 53.45 H new ATOM 0 HG3 LYS A 64 17.314 0.929 -3.906 1.00 53.45 H new ATOM 0 HD2 LYS A 64 17.132 -1.535 -4.109 1.00 33.21 H new ATOM 0 HD3 LYS A 64 16.377 -1.366 -5.681 1.00 33.21 H new ATOM 0 HE2 LYS A 64 18.421 -0.245 -6.540 1.00 14.45 H new ATOM 0 HE3 LYS A 64 19.176 -0.421 -4.968 1.00 14.45 H new ATOM 0 HZ1 LYS A 64 19.857 -2.164 -6.468 1.00 54.02 H new ATOM 0 HZ2 LYS A 64 18.978 -2.821 -5.172 1.00 54.02 H new ATOM 0 HZ3 LYS A 64 18.247 -2.650 -6.695 1.00 54.02 H new ATOM 1089 N ALA A 65 15.254 1.008 -0.781 1.00 21.20 N ATOM 1090 CA ALA A 65 15.967 1.650 0.313 1.00 54.44 C ATOM 1091 C ALA A 65 15.748 0.917 1.619 1.00 3.03 C ATOM 1092 O ALA A 65 16.693 0.652 2.354 1.00 22.21 O ATOM 1093 CB ALA A 65 15.577 3.113 0.440 1.00 54.23 C ATOM 0 H ALA A 65 14.253 1.197 -0.821 1.00 21.20 H new ATOM 0 HA ALA A 65 17.031 1.605 0.081 1.00 54.44 H new ATOM 0 HB1 ALA A 65 16.126 3.566 1.266 1.00 54.23 H new ATOM 0 HB2 ALA A 65 15.818 3.636 -0.486 1.00 54.23 H new ATOM 0 HB3 ALA A 65 14.507 3.189 0.631 1.00 54.23 H new ATOM 1099 N LEU A 66 14.515 0.562 1.894 1.00 50.02 N ATOM 1100 CA LEU A 66 14.189 -0.128 3.151 1.00 61.53 C ATOM 1101 C LEU A 66 14.510 -1.590 3.092 1.00 12.30 C ATOM 1102 O LEU A 66 14.983 -2.182 4.064 1.00 14.14 O ATOM 1103 CB LEU A 66 12.708 0.061 3.559 1.00 65.30 C ATOM 1104 CG LEU A 66 12.287 1.401 4.207 1.00 4.11 C ATOM 1105 CD1 LEU A 66 13.032 1.629 5.509 1.00 0.15 C ATOM 1106 CD2 LEU A 66 12.487 2.581 3.264 1.00 3.03 C ATOM 0 H LEU A 66 13.718 0.731 1.281 1.00 50.02 H new ATOM 0 HA LEU A 66 14.817 0.336 3.911 1.00 61.53 H new ATOM 0 HB2 LEU A 66 12.097 -0.083 2.667 1.00 65.30 H new ATOM 0 HB3 LEU A 66 12.451 -0.739 4.254 1.00 65.30 H new ATOM 0 HG LEU A 66 11.221 1.331 4.421 1.00 4.11 H new ATOM 0 HD11 LEU A 66 12.719 2.577 5.946 1.00 0.15 H new ATOM 0 HD12 LEU A 66 12.809 0.819 6.203 1.00 0.15 H new ATOM 0 HD13 LEU A 66 14.104 1.655 5.315 1.00 0.15 H new ATOM 0 HD21 LEU A 66 12.178 3.501 3.761 1.00 3.03 H new ATOM 0 HD22 LEU A 66 13.539 2.653 2.989 1.00 3.03 H new ATOM 0 HD23 LEU A 66 11.887 2.435 2.366 1.00 3.03 H new ATOM 1118 N ASN A 67 14.275 -2.168 1.977 1.00 74.53 N ATOM 1119 CA ASN A 67 14.424 -3.578 1.850 1.00 64.11 C ATOM 1120 C ASN A 67 15.790 -3.890 1.253 1.00 63.11 C ATOM 1121 O ASN A 67 16.588 -4.609 1.846 1.00 75.31 O ATOM 1122 CB ASN A 67 13.299 -4.083 0.963 1.00 53.53 C ATOM 1123 CG ASN A 67 12.996 -5.547 1.113 1.00 72.34 C ATOM 1124 OD1 ASN A 67 13.862 -6.373 1.379 1.00 20.10 O ATOM 1125 ND2 ASN A 67 11.747 -5.865 1.007 1.00 23.42 N ATOM 0 H ASN A 67 13.976 -1.688 1.128 1.00 74.53 H new ATOM 0 HA ASN A 67 14.368 -4.073 2.819 1.00 64.11 H new ATOM 0 HB2 ASN A 67 12.396 -3.514 1.184 1.00 53.53 H new ATOM 0 HB3 ASN A 67 13.556 -3.883 -0.077 1.00 53.53 H new ATOM 0 HD21 ASN A 67 11.453 -6.832 1.146 1.00 23.42 H new ATOM 0 HD22 ASN A 67 11.056 -5.149 0.784 1.00 23.42 H new ATOM 1132 N LYS A 68 16.054 -3.278 0.111 1.00 22.00 N ATOM 1133 CA LYS A 68 17.270 -3.469 -0.671 1.00 12.32 C ATOM 1134 C LYS A 68 17.356 -4.891 -1.187 1.00 51.21 C ATOM 1135 O LYS A 68 16.717 -5.185 -2.219 1.00 36.51 O ATOM 1136 CB LYS A 68 18.555 -3.081 0.091 1.00 14.43 C ATOM 1137 CG LYS A 68 18.651 -1.629 0.489 1.00 1.44 C ATOM 1138 CD LYS A 68 20.016 -1.323 1.060 1.00 2.45 C ATOM 1139 CE LYS A 68 20.148 0.134 1.442 1.00 45.34 C ATOM 1140 NZ LYS A 68 21.520 0.450 1.883 1.00 31.11 N ATOM 1141 OXT LYS A 68 18.055 -5.727 -0.579 1.00 36.51 O ATOM 0 H LYS A 68 15.408 -2.612 -0.314 1.00 22.00 H new ATOM 0 HA LYS A 68 17.202 -2.786 -1.518 1.00 12.32 H new ATOM 0 HB2 LYS A 68 18.624 -3.693 0.990 1.00 14.43 H new ATOM 0 HB3 LYS A 68 19.416 -3.329 -0.530 1.00 14.43 H new ATOM 0 HG2 LYS A 68 18.463 -0.996 -0.378 1.00 1.44 H new ATOM 0 HG3 LYS A 68 17.882 -1.397 1.226 1.00 1.44 H new ATOM 0 HD2 LYS A 68 20.192 -1.947 1.937 1.00 2.45 H new ATOM 0 HD3 LYS A 68 20.782 -1.578 0.328 1.00 2.45 H new ATOM 0 HE2 LYS A 68 19.884 0.761 0.590 1.00 45.34 H new ATOM 0 HE3 LYS A 68 19.444 0.368 2.241 1.00 45.34 H new ATOM 0 HZ1 LYS A 68 21.579 1.456 2.138 1.00 31.11 H new ATOM 0 HZ2 LYS A 68 21.761 -0.132 2.710 1.00 31.11 H new ATOM 0 HZ3 LYS A 68 22.188 0.249 1.111 1.00 31.11 H new