USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 513 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 426 ASN : amide:sc= 1.04 K(o=2.1,f=-2.9) USER MOD Set 1.2: A 445 SER OG : rot 78:sc= 1.06 USER MOD Set 2.1: A 374 TYR OH : rot -80:sc= -0.5 USER MOD Set 2.2: A 384 GLN : amide:sc= 0.135 K(o=-0.36,f=-1.5) USER MOD Single : A 365 THR OG1 : rot 34:sc= 0.0738 USER MOD Single : A 366 LYS NZ :NH3+ 167:sc= -0.0297 (180deg=-0.178) USER MOD Single : A 372 TYR OH : rot 180:sc= 0 USER MOD Single : A 373 THR OG1 : rot -91:sc= 0.169 USER MOD Single : A 375 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 379 TYR OH : rot 180:sc= 0 USER MOD Single : A 381 ASN :FLIP amide:sc= -1.07 F(o=-2.7!,f=-1.1) USER MOD Single : A 386 SER OG : rot -71:sc= 1.26 USER MOD Single : A 391 ASN :FLIP amide:sc= 0 F(o=-2.5!,f=0) USER MOD Single : A 394 SER OG : rot 180:sc= -0.107 USER MOD Single : A 395 GLN :FLIP amide:sc= -1.87 F(o=-2.9,f=-1.9) USER MOD Single : A 398 ASN : amide:sc= 0.755 K(o=0.75,f=-0.27) USER MOD Single : A 401 LYS NZ :NH3+ -155:sc=0.000624 (180deg=-0.0287) USER MOD Single : A 402 TYR OH : rot -50:sc= -1.41 USER MOD Single : A 404 ASN :FLIP amide:sc= 0 F(o=-0.65,f=0) USER MOD Single : A 406 GLN : amide:sc= -0.129 K(o=-0.13,f=-2.1!) USER MOD Single : A 407 SER OG : rot 180:sc= 0 USER MOD Single : A 413 HIS : no HE2:sc= 0.311 K(o=0.31,f=-2!) USER MOD Single : A 415 SER OG : rot -17:sc= 0.531 USER MOD Single : A 419 THR OG1 : rot 180:sc= 0 USER MOD Single : A 422 CYS SG : rot 180:sc= 0 USER MOD Single : A 430 SER OG : rot 180:sc= -0.512 USER MOD Single : A 435 GLN : amide:sc= 0.119 X(o=0.12,f=0) USER MOD Single : A 436 LYS NZ :NH3+ 161:sc= -1.67! (180deg=-2.86!) USER MOD Single : A 437 CYS SG : rot 180:sc= -0.0745 USER MOD Single : A 439 TYR OH : rot 180:sc= 0 USER MOD Single : A 442 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 443 MET CE :methyl 153:sc= -0.51 (180deg=-2) USER MOD Single : A 444 LYS NZ :NH3+ -157:sc= 1.16 (180deg=-0.411) USER MOD ----------------------------------------------------------------- ATOM 131 N THR A 365 8.741 -2.809 -1.244 1.00 53.31 N ATOM 132 CA THR A 365 8.592 -3.220 0.115 1.00 73.41 C ATOM 133 C THR A 365 7.543 -4.313 0.171 1.00 51.13 C ATOM 134 O THR A 365 6.501 -4.201 -0.465 1.00 11.24 O ATOM 135 CB THR A 365 8.203 -2.014 0.999 1.00 33.22 C ATOM 136 OG1 THR A 365 9.241 -1.018 0.936 1.00 43.44 O ATOM 137 CG2 THR A 365 7.968 -2.426 2.436 1.00 42.14 C ATOM 0 HA THR A 365 9.534 -3.610 0.500 1.00 73.41 H new ATOM 0 HB THR A 365 7.269 -1.601 0.618 1.00 33.22 H new ATOM 0 HG1 THR A 365 9.646 -1.024 0.044 1.00 43.44 H new ATOM 0 HG21 THR A 365 7.697 -1.550 3.026 1.00 42.14 H new ATOM 0 HG22 THR A 365 7.160 -3.156 2.478 1.00 42.14 H new ATOM 0 HG23 THR A 365 8.878 -2.868 2.841 1.00 42.14 H new ATOM 143 N LYS A 366 7.830 -5.366 0.878 1.00 25.43 N ATOM 144 CA LYS A 366 6.924 -6.460 0.982 1.00 43.52 C ATOM 145 C LYS A 366 6.882 -6.972 2.397 1.00 62.13 C ATOM 146 O LYS A 366 7.840 -6.790 3.150 1.00 0.33 O ATOM 147 CB LYS A 366 7.315 -7.563 0.031 1.00 3.22 C ATOM 148 CG LYS A 366 8.651 -8.172 0.322 1.00 62.10 C ATOM 149 CD LYS A 366 8.941 -9.276 -0.628 1.00 73.10 C ATOM 150 CE LYS A 366 9.185 -8.787 -2.047 1.00 63.21 C ATOM 151 NZ LYS A 366 10.412 -7.957 -2.151 1.00 62.53 N ATOM 0 H LYS A 366 8.700 -5.486 1.397 1.00 25.43 H new ATOM 0 HA LYS A 366 5.928 -6.111 0.711 1.00 43.52 H new ATOM 0 HB2 LYS A 366 6.556 -8.344 0.065 1.00 3.22 H new ATOM 0 HB3 LYS A 366 7.321 -7.168 -0.985 1.00 3.22 H new ATOM 0 HG2 LYS A 366 9.427 -7.410 0.250 1.00 62.10 H new ATOM 0 HG3 LYS A 366 8.669 -8.550 1.344 1.00 62.10 H new ATOM 0 HD2 LYS A 366 9.817 -9.825 -0.283 1.00 73.10 H new ATOM 0 HD3 LYS A 366 8.106 -9.976 -0.629 1.00 73.10 H new ATOM 0 HE2 LYS A 366 9.270 -9.644 -2.715 1.00 63.21 H new ATOM 0 HE3 LYS A 366 8.326 -8.206 -2.382 1.00 63.21 H new ATOM 0 HZ1 LYS A 366 10.661 -7.830 -3.153 1.00 62.53 H new ATOM 0 HZ2 LYS A 366 10.240 -7.028 -1.716 1.00 62.53 H new ATOM 0 HZ3 LYS A 366 11.195 -8.431 -1.657 1.00 62.53 H new ATOM 165 N ARG A 367 5.784 -7.587 2.767 1.00 52.03 N ATOM 166 CA ARG A 367 5.617 -8.104 4.105 1.00 0.03 C ATOM 167 C ARG A 367 4.440 -9.062 4.083 1.00 75.14 C ATOM 168 O ARG A 367 3.403 -8.765 3.482 1.00 22.43 O ATOM 169 CB ARG A 367 5.382 -6.903 5.044 1.00 60.03 C ATOM 170 CG ARG A 367 5.483 -7.122 6.554 1.00 4.44 C ATOM 171 CD ARG A 367 4.321 -7.825 7.183 1.00 72.10 C ATOM 172 NE ARG A 367 4.420 -7.743 8.647 1.00 34.11 N ATOM 173 CZ ARG A 367 3.553 -8.267 9.522 1.00 44.04 C ATOM 174 NH1 ARG A 367 2.663 -9.162 9.129 1.00 73.43 N ATOM 175 NH2 ARG A 367 3.638 -7.942 10.808 1.00 62.44 N ATOM 0 H ARG A 367 4.985 -7.743 2.153 1.00 52.03 H new ATOM 0 HA ARG A 367 6.491 -8.648 4.463 1.00 0.03 H new ATOM 0 HB2 ARG A 367 6.098 -6.127 4.774 1.00 60.03 H new ATOM 0 HB3 ARG A 367 4.388 -6.508 4.833 1.00 60.03 H new ATOM 0 HG2 ARG A 367 6.387 -7.695 6.761 1.00 4.44 H new ATOM 0 HG3 ARG A 367 5.603 -6.152 7.037 1.00 4.44 H new ATOM 0 HD2 ARG A 367 3.387 -7.375 6.847 1.00 72.10 H new ATOM 0 HD3 ARG A 367 4.303 -8.869 6.869 1.00 72.10 H new ATOM 0 HE ARG A 367 5.221 -7.242 9.031 1.00 34.11 H new ATOM 0 HH11 ARG A 367 2.634 -9.458 8.153 1.00 73.43 H new ATOM 0 HH12 ARG A 367 2.006 -9.557 9.802 1.00 73.43 H new ATOM 0 HH21 ARG A 367 4.361 -7.296 11.124 1.00 62.44 H new ATOM 0 HH22 ARG A 367 2.980 -8.338 11.479 1.00 62.44 H new ATOM 187 N GLU A 368 4.598 -10.192 4.707 1.00 11.25 N ATOM 188 CA GLU A 368 3.559 -11.213 4.710 1.00 73.12 C ATOM 189 C GLU A 368 2.579 -10.925 5.793 1.00 41.34 C ATOM 190 O GLU A 368 2.954 -10.757 6.946 1.00 25.52 O ATOM 191 CB GLU A 368 4.112 -12.637 4.879 1.00 43.11 C ATOM 192 CG GLU A 368 4.966 -13.174 3.736 1.00 21.34 C ATOM 193 CD GLU A 368 6.230 -12.398 3.493 1.00 3.51 C ATOM 194 OE1 GLU A 368 7.196 -12.546 4.281 1.00 21.31 O ATOM 195 OE2 GLU A 368 6.299 -11.656 2.494 1.00 75.55 O ATOM 0 H GLU A 368 5.438 -10.443 5.228 1.00 11.25 H new ATOM 0 HA GLU A 368 3.075 -11.175 3.734 1.00 73.12 H new ATOM 0 HB2 GLU A 368 4.706 -12.666 5.792 1.00 43.11 H new ATOM 0 HB3 GLU A 368 3.271 -13.315 5.024 1.00 43.11 H new ATOM 0 HG2 GLU A 368 5.225 -14.211 3.947 1.00 21.34 H new ATOM 0 HG3 GLU A 368 4.372 -13.174 2.822 1.00 21.34 H new ATOM 202 N ILE A 369 1.336 -10.838 5.441 1.00 23.10 N ATOM 203 CA ILE A 369 0.324 -10.518 6.385 1.00 14.24 C ATOM 204 C ILE A 369 -0.770 -11.529 6.223 1.00 24.43 C ATOM 205 O ILE A 369 -1.352 -11.638 5.160 1.00 10.45 O ATOM 206 CB ILE A 369 -0.216 -9.093 6.108 1.00 22.13 C ATOM 207 CG1 ILE A 369 0.962 -8.126 6.029 1.00 65.34 C ATOM 208 CG2 ILE A 369 -1.154 -8.667 7.228 1.00 12.43 C ATOM 209 CD1 ILE A 369 0.622 -6.750 5.567 1.00 13.51 C ATOM 0 H ILE A 369 0.998 -10.987 4.490 1.00 23.10 H new ATOM 0 HA ILE A 369 0.716 -10.539 7.402 1.00 14.24 H new ATOM 0 HB ILE A 369 -0.766 -9.086 5.167 1.00 22.13 H new ATOM 0 HG12 ILE A 369 1.423 -8.058 7.015 1.00 65.34 H new ATOM 0 HG13 ILE A 369 1.710 -8.544 5.356 1.00 65.34 H new ATOM 0 HG21 ILE A 369 -1.530 -7.664 7.026 1.00 12.43 H new ATOM 0 HG22 ILE A 369 -1.991 -9.363 7.286 1.00 12.43 H new ATOM 0 HG23 ILE A 369 -0.614 -8.669 8.175 1.00 12.43 H new ATOM 0 HD11 ILE A 369 1.525 -6.140 5.545 1.00 13.51 H new ATOM 0 HD12 ILE A 369 0.192 -6.798 4.567 1.00 13.51 H new ATOM 0 HD13 ILE A 369 -0.100 -6.304 6.251 1.00 13.51 H new ATOM 216 N GLY A 370 -1.002 -12.313 7.248 1.00 1.25 N ATOM 217 CA GLY A 370 -2.017 -13.351 7.177 1.00 25.32 C ATOM 218 C GLY A 370 -1.650 -14.462 6.195 1.00 24.42 C ATOM 219 O GLY A 370 -2.491 -15.298 5.848 1.00 51.42 O ATOM 0 H GLY A 370 -0.508 -12.258 8.139 1.00 1.25 H new ATOM 0 HA2 GLY A 370 -2.163 -13.780 8.168 1.00 25.32 H new ATOM 0 HA3 GLY A 370 -2.967 -12.906 6.879 1.00 25.32 H new ATOM 223 N GLY A 371 -0.407 -14.467 5.743 1.00 74.31 N ATOM 224 CA GLY A 371 0.037 -15.476 4.833 1.00 24.23 C ATOM 225 C GLY A 371 0.329 -14.931 3.467 1.00 30.21 C ATOM 226 O GLY A 371 1.153 -15.476 2.733 1.00 33.42 O ATOM 0 H GLY A 371 0.302 -13.779 5.999 1.00 74.31 H new ATOM 0 HA2 GLY A 371 0.934 -15.950 5.231 1.00 24.23 H new ATOM 0 HA3 GLY A 371 -0.725 -16.251 4.756 1.00 24.23 H new ATOM 230 N TYR A 372 -0.307 -13.842 3.124 1.00 4.52 N ATOM 231 CA TYR A 372 -0.125 -13.286 1.832 1.00 74.35 C ATOM 232 C TYR A 372 0.884 -12.161 1.869 1.00 50.12 C ATOM 233 O TYR A 372 0.883 -11.336 2.785 1.00 3.30 O ATOM 234 CB TYR A 372 -1.478 -12.849 1.220 1.00 61.11 C ATOM 235 CG TYR A 372 -2.338 -11.966 2.104 1.00 33.12 C ATOM 236 CD1 TYR A 372 -2.068 -10.626 2.247 1.00 64.20 C ATOM 237 CD2 TYR A 372 -3.439 -12.487 2.782 1.00 33.04 C ATOM 238 CE1 TYR A 372 -2.851 -9.823 3.030 1.00 10.02 C ATOM 239 CE2 TYR A 372 -4.230 -11.682 3.573 1.00 54.50 C ATOM 240 CZ TYR A 372 -3.929 -10.347 3.692 1.00 71.55 C ATOM 241 OH TYR A 372 -4.715 -9.532 4.469 1.00 70.15 O ATOM 0 H TYR A 372 -0.952 -13.332 3.728 1.00 4.52 H new ATOM 0 HA TYR A 372 0.282 -14.056 1.176 1.00 74.35 H new ATOM 0 HB2 TYR A 372 -1.281 -12.319 0.288 1.00 61.11 H new ATOM 0 HB3 TYR A 372 -2.047 -13.743 0.965 1.00 61.11 H new ATOM 0 HD1 TYR A 372 -1.221 -10.199 1.731 1.00 64.20 H new ATOM 0 HD2 TYR A 372 -3.675 -13.536 2.686 1.00 33.04 H new ATOM 0 HE1 TYR A 372 -2.618 -8.773 3.126 1.00 10.02 H new ATOM 0 HE2 TYR A 372 -5.079 -12.097 4.095 1.00 54.50 H new ATOM 0 HH TYR A 372 -5.438 -10.059 4.868 1.00 70.15 H new ATOM 251 N THR A 373 1.760 -12.157 0.908 1.00 64.14 N ATOM 252 CA THR A 373 2.764 -11.149 0.804 1.00 25.00 C ATOM 253 C THR A 373 2.191 -9.881 0.207 1.00 52.40 C ATOM 254 O THR A 373 1.690 -9.882 -0.916 1.00 10.21 O ATOM 255 CB THR A 373 3.959 -11.637 -0.062 1.00 50.41 C ATOM 256 OG1 THR A 373 4.572 -12.776 0.562 1.00 42.32 O ATOM 257 CG2 THR A 373 5.001 -10.534 -0.242 1.00 0.44 C ATOM 0 H THR A 373 1.795 -12.860 0.170 1.00 64.14 H new ATOM 0 HA THR A 373 3.123 -10.939 1.811 1.00 25.00 H new ATOM 0 HB THR A 373 3.576 -11.910 -1.045 1.00 50.41 H new ATOM 0 HG1 THR A 373 5.286 -12.475 1.162 1.00 42.32 H new ATOM 0 HG21 THR A 373 5.824 -10.907 -0.852 1.00 0.44 H new ATOM 0 HG22 THR A 373 4.542 -9.677 -0.736 1.00 0.44 H new ATOM 0 HG23 THR A 373 5.381 -10.230 0.733 1.00 0.44 H new ATOM 263 N TYR A 374 2.235 -8.827 0.960 1.00 53.14 N ATOM 264 CA TYR A 374 1.859 -7.561 0.461 1.00 60.21 C ATOM 265 C TYR A 374 3.072 -6.905 -0.110 1.00 43.13 C ATOM 266 O TYR A 374 4.113 -6.920 0.518 1.00 40.21 O ATOM 267 CB TYR A 374 1.293 -6.708 1.566 1.00 32.22 C ATOM 268 CG TYR A 374 -0.134 -6.422 1.361 1.00 44.55 C ATOM 269 CD1 TYR A 374 -0.519 -5.558 0.362 1.00 53.03 C ATOM 270 CD2 TYR A 374 -1.109 -7.011 2.140 1.00 33.34 C ATOM 271 CE1 TYR A 374 -1.814 -5.278 0.130 1.00 14.31 C ATOM 272 CE2 TYR A 374 -2.444 -6.727 1.911 1.00 54.11 C ATOM 273 CZ TYR A 374 -2.788 -5.861 0.909 1.00 40.24 C ATOM 274 OH TYR A 374 -4.114 -5.583 0.681 1.00 52.31 O ATOM 0 H TYR A 374 2.534 -8.830 1.935 1.00 53.14 H new ATOM 0 HA TYR A 374 1.093 -7.680 -0.306 1.00 60.21 H new ATOM 0 HB2 TYR A 374 1.428 -7.215 2.521 1.00 32.22 H new ATOM 0 HB3 TYR A 374 1.847 -5.771 1.621 1.00 32.22 H new ATOM 0 HD1 TYR A 374 0.238 -5.093 -0.252 1.00 53.03 H new ATOM 0 HD2 TYR A 374 -0.830 -7.694 2.929 1.00 33.34 H new ATOM 0 HE1 TYR A 374 -2.088 -4.599 -0.664 1.00 14.31 H new ATOM 0 HE2 TYR A 374 -3.209 -7.186 2.519 1.00 54.11 H new ATOM 0 HH TYR A 374 -4.342 -4.721 1.088 1.00 52.31 H new ATOM 284 N LYS A 375 2.958 -6.350 -1.287 1.00 71.22 N ATOM 285 CA LYS A 375 4.105 -5.730 -1.918 1.00 22.11 C ATOM 286 C LYS A 375 3.737 -4.377 -2.431 1.00 61.31 C ATOM 287 O LYS A 375 2.803 -4.238 -3.195 1.00 2.22 O ATOM 288 CB LYS A 375 4.654 -6.561 -3.094 1.00 13.03 C ATOM 289 CG LYS A 375 5.992 -6.025 -3.613 1.00 74.11 C ATOM 290 CD LYS A 375 6.474 -6.759 -4.847 1.00 62.33 C ATOM 291 CE LYS A 375 5.652 -6.422 -6.086 1.00 54.35 C ATOM 292 NZ LYS A 375 6.135 -7.169 -7.273 1.00 53.13 N ATOM 0 H LYS A 375 2.094 -6.311 -1.828 1.00 71.22 H new ATOM 0 HA LYS A 375 4.880 -5.661 -1.155 1.00 22.11 H new ATOM 0 HB2 LYS A 375 4.779 -7.596 -2.777 1.00 13.03 H new ATOM 0 HB3 LYS A 375 3.927 -6.562 -3.906 1.00 13.03 H new ATOM 0 HG2 LYS A 375 5.890 -4.964 -3.842 1.00 74.11 H new ATOM 0 HG3 LYS A 375 6.743 -6.110 -2.827 1.00 74.11 H new ATOM 0 HD2 LYS A 375 7.519 -6.509 -5.029 1.00 62.33 H new ATOM 0 HD3 LYS A 375 6.430 -7.833 -4.667 1.00 62.33 H new ATOM 0 HE2 LYS A 375 4.604 -6.660 -5.905 1.00 54.35 H new ATOM 0 HE3 LYS A 375 5.706 -5.351 -6.281 1.00 54.35 H new ATOM 0 HZ1 LYS A 375 5.556 -6.919 -8.100 1.00 53.13 H new ATOM 0 HZ2 LYS A 375 7.128 -6.922 -7.458 1.00 53.13 H new ATOM 0 HZ3 LYS A 375 6.060 -8.191 -7.094 1.00 53.13 H new ATOM 306 N VAL A 376 4.469 -3.409 -2.034 1.00 60.43 N ATOM 307 CA VAL A 376 4.255 -2.068 -2.461 1.00 24.11 C ATOM 308 C VAL A 376 5.495 -1.551 -3.190 1.00 1.40 C ATOM 309 O VAL A 376 6.607 -1.534 -2.635 1.00 30.20 O ATOM 310 CB VAL A 376 3.868 -1.140 -1.250 1.00 71.42 C ATOM 311 CG1 VAL A 376 4.909 -1.191 -0.156 1.00 42.13 C ATOM 312 CG2 VAL A 376 3.654 0.296 -1.692 1.00 60.52 C ATOM 0 H VAL A 376 5.252 -3.521 -1.390 1.00 60.43 H new ATOM 0 HA VAL A 376 3.415 -2.051 -3.156 1.00 24.11 H new ATOM 0 HB VAL A 376 2.928 -1.522 -0.852 1.00 71.42 H new ATOM 0 HG11 VAL A 376 4.608 -0.538 0.663 1.00 42.13 H new ATOM 0 HG12 VAL A 376 5.002 -2.213 0.210 1.00 42.13 H new ATOM 0 HG13 VAL A 376 5.869 -0.858 -0.551 1.00 42.13 H new ATOM 0 HG21 VAL A 376 3.388 0.907 -0.829 1.00 60.52 H new ATOM 0 HG22 VAL A 376 4.571 0.679 -2.139 1.00 60.52 H new ATOM 0 HG23 VAL A 376 2.849 0.335 -2.426 1.00 60.52 H new ATOM 318 N VAL A 377 5.338 -1.213 -4.450 1.00 53.25 N ATOM 319 CA VAL A 377 6.412 -0.592 -5.163 1.00 10.23 C ATOM 320 C VAL A 377 6.011 0.845 -5.383 1.00 63.04 C ATOM 321 O VAL A 377 5.037 1.132 -6.093 1.00 34.35 O ATOM 322 CB VAL A 377 6.721 -1.286 -6.513 1.00 32.44 C ATOM 323 CG1 VAL A 377 7.925 -0.628 -7.195 1.00 11.25 C ATOM 324 CG2 VAL A 377 6.981 -2.767 -6.299 1.00 13.24 C ATOM 0 H VAL A 377 4.485 -1.359 -4.990 1.00 53.25 H new ATOM 0 HA VAL A 377 7.330 -0.672 -4.580 1.00 10.23 H new ATOM 0 HB VAL A 377 5.853 -1.174 -7.163 1.00 32.44 H new ATOM 0 HG11 VAL A 377 8.126 -1.130 -8.142 1.00 11.25 H new ATOM 0 HG12 VAL A 377 7.708 0.424 -7.381 1.00 11.25 H new ATOM 0 HG13 VAL A 377 8.799 -0.709 -6.548 1.00 11.25 H new ATOM 0 HG21 VAL A 377 7.197 -3.241 -7.257 1.00 13.24 H new ATOM 0 HG22 VAL A 377 7.833 -2.894 -5.631 1.00 13.24 H new ATOM 0 HG23 VAL A 377 6.100 -3.231 -5.855 1.00 13.24 H new ATOM 330 N PHE A 378 6.765 1.725 -4.795 1.00 1.45 N ATOM 331 CA PHE A 378 6.449 3.133 -4.741 1.00 31.33 C ATOM 332 C PHE A 378 6.409 3.787 -6.109 1.00 51.02 C ATOM 333 O PHE A 378 7.326 3.616 -6.923 1.00 32.32 O ATOM 334 CB PHE A 378 7.412 3.842 -3.807 1.00 73.01 C ATOM 335 CG PHE A 378 7.337 3.358 -2.375 1.00 40.41 C ATOM 336 CD1 PHE A 378 8.005 2.208 -1.974 1.00 40.02 C ATOM 337 CD2 PHE A 378 6.615 4.060 -1.433 1.00 1.13 C ATOM 338 CE1 PHE A 378 7.950 1.774 -0.667 1.00 75.34 C ATOM 339 CE2 PHE A 378 6.554 3.629 -0.120 1.00 15.44 C ATOM 340 CZ PHE A 378 7.222 2.486 0.259 1.00 4.53 C ATOM 0 H PHE A 378 7.639 1.485 -4.327 1.00 1.45 H new ATOM 0 HA PHE A 378 5.438 3.227 -4.345 1.00 31.33 H new ATOM 0 HB2 PHE A 378 8.429 3.705 -4.175 1.00 73.01 H new ATOM 0 HB3 PHE A 378 7.206 4.912 -3.831 1.00 73.01 H new ATOM 0 HD1 PHE A 378 8.576 1.645 -2.697 1.00 40.02 H new ATOM 0 HD2 PHE A 378 6.090 4.958 -1.724 1.00 1.13 H new ATOM 0 HE1 PHE A 378 8.476 0.879 -0.371 1.00 75.34 H new ATOM 0 HE2 PHE A 378 5.983 4.188 0.607 1.00 15.44 H new ATOM 0 HZ PHE A 378 7.175 2.148 1.284 1.00 4.53 H new ATOM 350 N TYR A 379 5.306 4.537 -6.349 1.00 3.21 N ATOM 351 CA TYR A 379 5.029 5.239 -7.599 1.00 11.02 C ATOM 352 C TYR A 379 4.666 4.293 -8.720 1.00 30.52 C ATOM 353 O TYR A 379 4.468 4.702 -9.852 1.00 54.35 O ATOM 354 CB TYR A 379 6.158 6.217 -7.969 1.00 52.41 C ATOM 355 CG TYR A 379 6.245 7.374 -6.985 1.00 54.35 C ATOM 356 CD1 TYR A 379 6.903 7.244 -5.768 1.00 62.13 C ATOM 357 CD2 TYR A 379 5.630 8.580 -7.265 1.00 70.20 C ATOM 358 CE1 TYR A 379 6.939 8.284 -4.862 1.00 14.35 C ATOM 359 CE2 TYR A 379 5.670 9.626 -6.370 1.00 5.45 C ATOM 360 CZ TYR A 379 6.320 9.473 -5.169 1.00 11.40 C ATOM 361 OH TYR A 379 6.345 10.512 -4.265 1.00 54.15 O ATOM 0 H TYR A 379 4.573 4.666 -5.652 1.00 3.21 H new ATOM 0 HA TYR A 379 4.142 5.851 -7.435 1.00 11.02 H new ATOM 0 HB2 TYR A 379 7.109 5.684 -7.989 1.00 52.41 H new ATOM 0 HB3 TYR A 379 5.989 6.605 -8.973 1.00 52.41 H new ATOM 0 HD1 TYR A 379 7.395 6.313 -5.527 1.00 62.13 H new ATOM 0 HD2 TYR A 379 5.109 8.704 -8.203 1.00 70.20 H new ATOM 0 HE1 TYR A 379 7.450 8.165 -3.918 1.00 14.35 H new ATOM 0 HE2 TYR A 379 5.192 10.564 -6.611 1.00 5.45 H new ATOM 0 HH TYR A 379 5.863 11.280 -4.636 1.00 54.15 H new ATOM 371 N GLU A 380 4.518 3.034 -8.385 1.00 55.15 N ATOM 372 CA GLU A 380 4.202 2.045 -9.363 1.00 33.21 C ATOM 373 C GLU A 380 2.872 1.348 -9.071 1.00 4.55 C ATOM 374 O GLU A 380 1.816 1.783 -9.543 1.00 33.02 O ATOM 375 CB GLU A 380 5.343 1.038 -9.477 1.00 73.41 C ATOM 376 CG GLU A 380 6.661 1.648 -9.933 1.00 43.12 C ATOM 377 CD GLU A 380 6.604 2.160 -11.342 1.00 22.13 C ATOM 378 OE1 GLU A 380 6.627 1.325 -12.288 1.00 50.22 O ATOM 379 OE2 GLU A 380 6.553 3.390 -11.551 1.00 25.13 O ATOM 0 H GLU A 380 4.614 2.678 -7.434 1.00 55.15 H new ATOM 0 HA GLU A 380 4.083 2.550 -10.322 1.00 33.21 H new ATOM 0 HB2 GLU A 380 5.491 0.560 -8.509 1.00 73.41 H new ATOM 0 HB3 GLU A 380 5.055 0.255 -10.178 1.00 73.41 H new ATOM 0 HG2 GLU A 380 6.929 2.466 -9.264 1.00 43.12 H new ATOM 0 HG3 GLU A 380 7.450 0.900 -9.854 1.00 43.12 H new ATOM 386 N ASN A 381 2.913 0.322 -8.228 1.00 33.13 N ATOM 387 CA ASN A 381 1.740 -0.513 -7.955 1.00 44.25 C ATOM 388 C ASN A 381 1.945 -1.442 -6.755 1.00 31.50 C ATOM 389 O ASN A 381 3.089 -1.735 -6.370 1.00 15.35 O ATOM 390 CB ASN A 381 1.307 -1.298 -9.225 1.00 14.04 C ATOM 391 CG ASN A 381 2.446 -2.051 -9.938 1.00 31.11 C ATOM 392 OD1 ASN A 381 3.438 -2.517 -9.209 1.00 42.22 O flip ATOM 393 ND2 ASN A 381 2.412 -2.208 -11.156 1.00 35.22 N flip ATOM 0 H ASN A 381 3.751 0.044 -7.717 1.00 33.13 H new ATOM 0 HA ASN A 381 0.926 0.159 -7.683 1.00 44.25 H new ATOM 0 HB2 ASN A 381 0.535 -2.015 -8.946 1.00 14.04 H new ATOM 0 HB3 ASN A 381 0.855 -0.600 -9.930 1.00 14.04 H new ATOM 0 HD21 ASN A 381 1.631 -1.836 -11.697 1.00 35.22 H new ATOM 0 HD22 ASN A 381 3.165 -2.710 -11.627 1.00 35.22 H new ATOM 399 N VAL A 382 0.839 -1.893 -6.185 1.00 73.43 N ATOM 400 CA VAL A 382 0.824 -2.751 -4.993 1.00 2.11 C ATOM 401 C VAL A 382 0.226 -4.102 -5.336 1.00 22.02 C ATOM 402 O VAL A 382 -0.663 -4.190 -6.183 1.00 3.33 O ATOM 403 CB VAL A 382 -0.002 -2.095 -3.833 1.00 12.21 C ATOM 404 CG1 VAL A 382 -0.077 -2.980 -2.591 1.00 40.23 C ATOM 405 CG2 VAL A 382 0.592 -0.778 -3.466 1.00 53.42 C ATOM 0 H VAL A 382 -0.093 -1.674 -6.537 1.00 73.43 H new ATOM 0 HA VAL A 382 1.853 -2.877 -4.657 1.00 2.11 H new ATOM 0 HB VAL A 382 -1.018 -1.962 -4.204 1.00 12.21 H new ATOM 0 HG11 VAL A 382 -0.660 -2.476 -1.820 1.00 40.23 H new ATOM 0 HG12 VAL A 382 -0.554 -3.926 -2.847 1.00 40.23 H new ATOM 0 HG13 VAL A 382 0.930 -3.170 -2.218 1.00 40.23 H new ATOM 0 HG21 VAL A 382 0.012 -0.329 -2.660 1.00 53.42 H new ATOM 0 HG22 VAL A 382 1.621 -0.922 -3.136 1.00 53.42 H new ATOM 0 HG23 VAL A 382 0.578 -0.118 -4.333 1.00 53.42 H new ATOM 411 N PHE A 383 0.717 -5.132 -4.691 1.00 41.22 N ATOM 412 CA PHE A 383 0.279 -6.491 -4.902 1.00 41.15 C ATOM 413 C PHE A 383 0.027 -7.189 -3.591 1.00 71.40 C ATOM 414 O PHE A 383 0.620 -6.849 -2.572 1.00 3.41 O ATOM 415 CB PHE A 383 1.325 -7.277 -5.711 1.00 41.23 C ATOM 416 CG PHE A 383 1.432 -6.832 -7.129 1.00 24.42 C ATOM 417 CD1 PHE A 383 2.200 -5.744 -7.465 1.00 25.11 C ATOM 418 CD2 PHE A 383 0.742 -7.494 -8.126 1.00 52.01 C ATOM 419 CE1 PHE A 383 2.278 -5.317 -8.759 1.00 43.44 C ATOM 420 CE2 PHE A 383 0.824 -7.073 -9.432 1.00 35.23 C ATOM 421 CZ PHE A 383 1.595 -5.977 -9.747 1.00 44.42 C ATOM 0 H PHE A 383 1.450 -5.047 -3.987 1.00 41.22 H new ATOM 0 HA PHE A 383 -0.655 -6.454 -5.463 1.00 41.15 H new ATOM 0 HB2 PHE A 383 2.298 -7.173 -5.231 1.00 41.23 H new ATOM 0 HB3 PHE A 383 1.070 -8.336 -5.689 1.00 41.23 H new ATOM 0 HD1 PHE A 383 2.749 -5.220 -6.696 1.00 25.11 H new ATOM 0 HD2 PHE A 383 0.133 -8.350 -7.877 1.00 52.01 H new ATOM 0 HE1 PHE A 383 2.881 -4.455 -9.005 1.00 43.44 H new ATOM 0 HE2 PHE A 383 0.286 -7.599 -10.207 1.00 35.23 H new ATOM 0 HZ PHE A 383 1.662 -5.638 -10.770 1.00 44.42 H new ATOM 431 N GLN A 384 -0.869 -8.126 -3.624 1.00 11.31 N ATOM 432 CA GLN A 384 -1.149 -8.983 -2.519 1.00 11.32 C ATOM 433 C GLN A 384 -1.033 -10.390 -3.028 1.00 54.13 C ATOM 434 O GLN A 384 -1.861 -10.819 -3.841 1.00 65.34 O ATOM 435 CB GLN A 384 -2.563 -8.782 -2.023 1.00 2.12 C ATOM 436 CG GLN A 384 -2.923 -9.644 -0.829 1.00 1.04 C ATOM 437 CD GLN A 384 -4.404 -9.703 -0.605 1.00 65.24 C ATOM 438 OE1 GLN A 384 -5.081 -10.564 -1.147 1.00 14.12 O ATOM 439 NE2 GLN A 384 -4.914 -8.799 0.161 1.00 14.35 N ATOM 0 H GLN A 384 -1.441 -8.320 -4.446 1.00 11.31 H new ATOM 0 HA GLN A 384 -0.460 -8.771 -1.701 1.00 11.32 H new ATOM 0 HB2 GLN A 384 -2.699 -7.734 -1.756 1.00 2.12 H new ATOM 0 HB3 GLN A 384 -3.257 -8.996 -2.836 1.00 2.12 H new ATOM 0 HG2 GLN A 384 -2.539 -10.653 -0.981 1.00 1.04 H new ATOM 0 HG3 GLN A 384 -2.437 -9.249 0.063 1.00 1.04 H new ATOM 0 HE21 GLN A 384 -4.312 -8.098 0.594 1.00 14.35 H new ATOM 0 HE22 GLN A 384 -5.919 -8.785 0.334 1.00 14.35 H new ATOM 447 N ASP A 385 0.000 -11.079 -2.596 1.00 21.43 N ATOM 448 CA ASP A 385 0.286 -12.473 -2.988 1.00 20.11 C ATOM 449 C ASP A 385 0.728 -12.538 -4.439 1.00 63.43 C ATOM 450 O ASP A 385 1.921 -12.579 -4.744 1.00 21.34 O ATOM 451 CB ASP A 385 -0.937 -13.377 -2.761 1.00 3.03 C ATOM 452 CG ASP A 385 -0.698 -14.828 -3.101 1.00 62.00 C ATOM 453 OD1 ASP A 385 -0.149 -15.576 -2.255 1.00 14.10 O ATOM 454 OD2 ASP A 385 -1.076 -15.245 -4.217 1.00 14.42 O ATOM 0 H ASP A 385 0.688 -10.693 -1.949 1.00 21.43 H new ATOM 0 HA ASP A 385 1.097 -12.838 -2.358 1.00 20.11 H new ATOM 0 HB2 ASP A 385 -1.241 -13.304 -1.717 1.00 3.03 H new ATOM 0 HB3 ASP A 385 -1.767 -13.005 -3.362 1.00 3.03 H new ATOM 459 N SER A 386 -0.232 -12.506 -5.310 1.00 54.34 N ATOM 460 CA SER A 386 -0.018 -12.497 -6.726 1.00 13.24 C ATOM 461 C SER A 386 -1.100 -11.641 -7.396 1.00 34.01 C ATOM 462 O SER A 386 -1.133 -11.474 -8.629 1.00 20.10 O ATOM 463 CB SER A 386 -0.025 -13.939 -7.251 1.00 14.40 C ATOM 464 OG SER A 386 -1.194 -14.631 -6.817 1.00 63.33 O ATOM 0 H SER A 386 -1.218 -12.485 -5.048 1.00 54.34 H new ATOM 0 HA SER A 386 0.952 -12.059 -6.963 1.00 13.24 H new ATOM 0 HB2 SER A 386 0.017 -13.934 -8.340 1.00 14.40 H new ATOM 0 HB3 SER A 386 0.864 -14.463 -6.900 1.00 14.40 H new ATOM 0 HG SER A 386 -1.129 -14.812 -5.856 1.00 63.33 H new ATOM 470 N ILE A 387 -1.971 -11.081 -6.561 1.00 2.13 N ATOM 471 CA ILE A 387 -3.080 -10.259 -7.010 1.00 32.34 C ATOM 472 C ILE A 387 -2.648 -8.797 -7.051 1.00 65.10 C ATOM 473 O ILE A 387 -1.968 -8.328 -6.138 1.00 33.24 O ATOM 474 CB ILE A 387 -4.298 -10.402 -6.030 1.00 71.31 C ATOM 475 CG1 ILE A 387 -4.792 -11.855 -5.955 1.00 61.13 C ATOM 476 CG2 ILE A 387 -5.447 -9.461 -6.398 1.00 72.20 C ATOM 477 CD1 ILE A 387 -5.286 -12.417 -7.274 1.00 31.11 C ATOM 0 H ILE A 387 -1.923 -11.188 -5.548 1.00 2.13 H new ATOM 0 HA ILE A 387 -3.378 -10.590 -8.005 1.00 32.34 H new ATOM 0 HB ILE A 387 -3.939 -10.112 -5.042 1.00 71.31 H new ATOM 0 HG12 ILE A 387 -3.981 -12.483 -5.587 1.00 61.13 H new ATOM 0 HG13 ILE A 387 -5.598 -11.915 -5.224 1.00 61.13 H new ATOM 0 HG21 ILE A 387 -6.267 -9.595 -5.693 1.00 72.20 H new ATOM 0 HG22 ILE A 387 -5.099 -8.429 -6.358 1.00 72.20 H new ATOM 0 HG23 ILE A 387 -5.794 -9.688 -7.406 1.00 72.20 H new ATOM 0 HD11 ILE A 387 -5.616 -13.446 -7.130 1.00 31.11 H new ATOM 0 HD12 ILE A 387 -6.120 -11.816 -7.636 1.00 31.11 H new ATOM 0 HD13 ILE A 387 -4.478 -12.393 -8.005 1.00 31.11 H new ATOM 484 N LEU A 388 -3.034 -8.089 -8.095 1.00 33.11 N ATOM 485 CA LEU A 388 -2.747 -6.676 -8.201 1.00 25.43 C ATOM 486 C LEU A 388 -3.703 -5.930 -7.298 1.00 12.14 C ATOM 487 O LEU A 388 -4.907 -5.977 -7.484 1.00 23.31 O ATOM 488 CB LEU A 388 -2.902 -6.205 -9.658 1.00 20.14 C ATOM 489 CG LEU A 388 -2.750 -4.695 -9.920 1.00 52.02 C ATOM 490 CD1 LEU A 388 -1.379 -4.186 -9.512 1.00 35.43 C ATOM 491 CD2 LEU A 388 -3.034 -4.375 -11.377 1.00 61.03 C ATOM 0 H LEU A 388 -3.550 -8.475 -8.885 1.00 33.11 H new ATOM 0 HA LEU A 388 -1.719 -6.480 -7.896 1.00 25.43 H new ATOM 0 HB2 LEU A 388 -2.165 -6.731 -10.265 1.00 20.14 H new ATOM 0 HB3 LEU A 388 -3.886 -6.514 -10.012 1.00 20.14 H new ATOM 0 HG LEU A 388 -3.484 -4.179 -9.301 1.00 52.02 H new ATOM 0 HD11 LEU A 388 -1.313 -3.117 -9.713 1.00 35.43 H new ATOM 0 HD12 LEU A 388 -1.226 -4.365 -8.448 1.00 35.43 H new ATOM 0 HD13 LEU A 388 -0.612 -4.710 -10.082 1.00 35.43 H new ATOM 0 HD21 LEU A 388 -2.922 -3.304 -11.543 1.00 61.03 H new ATOM 0 HD22 LEU A 388 -2.332 -4.916 -12.012 1.00 61.03 H new ATOM 0 HD23 LEU A 388 -4.052 -4.675 -11.624 1.00 61.03 H new ATOM 499 N LEU A 389 -3.180 -5.285 -6.307 1.00 43.24 N ATOM 500 CA LEU A 389 -3.971 -4.611 -5.381 1.00 54.31 C ATOM 501 C LEU A 389 -4.410 -3.289 -5.976 1.00 11.30 C ATOM 502 O LEU A 389 -5.573 -3.089 -6.220 1.00 63.03 O ATOM 503 CB LEU A 389 -3.130 -4.412 -4.162 1.00 61.34 C ATOM 504 CG LEU A 389 -3.821 -4.291 -2.843 1.00 43.12 C ATOM 505 CD1 LEU A 389 -4.782 -3.124 -2.771 1.00 1.04 C ATOM 506 CD2 LEU A 389 -4.479 -5.596 -2.450 1.00 43.31 C ATOM 0 H LEU A 389 -2.177 -5.222 -6.132 1.00 43.24 H new ATOM 0 HA LEU A 389 -4.871 -5.169 -5.122 1.00 54.31 H new ATOM 0 HB2 LEU A 389 -2.433 -5.247 -4.098 1.00 61.34 H new ATOM 0 HB3 LEU A 389 -2.535 -3.511 -4.311 1.00 61.34 H new ATOM 0 HG LEU A 389 -3.046 -4.071 -2.108 1.00 43.12 H new ATOM 0 HD11 LEU A 389 -5.248 -3.097 -1.786 1.00 1.04 H new ATOM 0 HD12 LEU A 389 -4.239 -2.194 -2.942 1.00 1.04 H new ATOM 0 HD13 LEU A 389 -5.552 -3.239 -3.534 1.00 1.04 H new ATOM 0 HD21 LEU A 389 -4.974 -5.478 -1.486 1.00 43.31 H new ATOM 0 HD22 LEU A 389 -5.215 -5.874 -3.204 1.00 43.31 H new ATOM 0 HD23 LEU A 389 -3.722 -6.377 -2.376 1.00 43.31 H new ATOM 514 N GLY A 390 -3.480 -2.412 -6.240 1.00 12.02 N ATOM 515 CA GLY A 390 -3.859 -1.155 -6.784 1.00 31.34 C ATOM 516 C GLY A 390 -2.727 -0.489 -7.466 1.00 40.14 C ATOM 517 O GLY A 390 -1.556 -0.840 -7.242 1.00 11.44 O ATOM 0 H GLY A 390 -2.480 -2.547 -6.089 1.00 12.02 H new ATOM 0 HA2 GLY A 390 -4.677 -1.296 -7.490 1.00 31.34 H new ATOM 0 HA3 GLY A 390 -4.233 -0.512 -5.987 1.00 31.34 H new ATOM 521 N ASN A 391 -3.048 0.440 -8.307 1.00 3.12 N ATOM 522 CA ASN A 391 -2.070 1.224 -9.010 1.00 10.43 C ATOM 523 C ASN A 391 -1.965 2.524 -8.271 1.00 72.12 C ATOM 524 O ASN A 391 -2.953 2.977 -7.708 1.00 24.40 O ATOM 525 CB ASN A 391 -2.529 1.530 -10.451 1.00 64.41 C ATOM 526 CG ASN A 391 -2.912 0.310 -11.288 1.00 50.14 C ATOM 527 OD1 ASN A 391 -2.410 -0.847 -10.947 1.00 5.31 O flip ATOM 528 ND2 ASN A 391 -3.713 0.418 -12.216 1.00 22.41 N flip ATOM 0 H ASN A 391 -4.012 0.684 -8.533 1.00 3.12 H new ATOM 0 HA ASN A 391 -1.125 0.683 -9.060 1.00 10.43 H new ATOM 0 HB2 ASN A 391 -3.385 2.203 -10.407 1.00 64.41 H new ATOM 0 HB3 ASN A 391 -1.729 2.065 -10.963 1.00 64.41 H new ATOM 0 HD21 ASN A 391 -4.089 1.334 -12.461 1.00 22.41 H new ATOM 0 HD22 ASN A 391 -4.001 -0.408 -12.740 1.00 22.41 H new ATOM 534 N PHE A 392 -0.814 3.122 -8.246 1.00 5.03 N ATOM 535 CA PHE A 392 -0.664 4.378 -7.540 1.00 14.54 C ATOM 536 C PHE A 392 -1.408 5.485 -8.248 1.00 4.00 C ATOM 537 O PHE A 392 -1.104 5.828 -9.386 1.00 41.51 O ATOM 538 CB PHE A 392 0.809 4.725 -7.330 1.00 35.14 C ATOM 539 CG PHE A 392 1.515 3.898 -6.284 1.00 32.52 C ATOM 540 CD1 PHE A 392 1.385 2.525 -6.251 1.00 40.20 C ATOM 541 CD2 PHE A 392 2.344 4.502 -5.357 1.00 12.35 C ATOM 542 CE1 PHE A 392 2.058 1.773 -5.325 1.00 45.43 C ATOM 543 CE2 PHE A 392 3.018 3.755 -4.418 1.00 13.23 C ATOM 544 CZ PHE A 392 2.878 2.389 -4.404 1.00 23.21 C ATOM 0 H PHE A 392 0.032 2.774 -8.697 1.00 5.03 H new ATOM 0 HA PHE A 392 -1.108 4.265 -6.551 1.00 14.54 H new ATOM 0 HB2 PHE A 392 1.333 4.609 -8.279 1.00 35.14 H new ATOM 0 HB3 PHE A 392 0.883 5.776 -7.052 1.00 35.14 H new ATOM 0 HD1 PHE A 392 0.742 2.035 -6.967 1.00 40.20 H new ATOM 0 HD2 PHE A 392 2.464 5.575 -5.370 1.00 12.35 H new ATOM 0 HE1 PHE A 392 1.946 0.699 -5.316 1.00 45.43 H new ATOM 0 HE2 PHE A 392 3.655 4.242 -3.694 1.00 13.23 H new ATOM 0 HZ PHE A 392 3.409 1.798 -3.673 1.00 23.21 H new ATOM 554 N ALA A 393 -2.395 6.025 -7.577 1.00 70.41 N ATOM 555 CA ALA A 393 -3.207 7.061 -8.144 1.00 11.34 C ATOM 556 C ALA A 393 -2.667 8.416 -7.755 1.00 31.21 C ATOM 557 O ALA A 393 -2.504 9.290 -8.604 1.00 13.42 O ATOM 558 CB ALA A 393 -4.652 6.907 -7.692 1.00 31.52 C ATOM 0 H ALA A 393 -2.654 5.757 -6.627 1.00 70.41 H new ATOM 0 HA ALA A 393 -3.178 6.977 -9.230 1.00 11.34 H new ATOM 0 HB1 ALA A 393 -5.257 7.701 -8.130 1.00 31.52 H new ATOM 0 HB2 ALA A 393 -5.033 5.939 -8.016 1.00 31.52 H new ATOM 0 HB3 ALA A 393 -4.702 6.971 -6.605 1.00 31.52 H new ATOM 564 N SER A 394 -2.381 8.600 -6.477 1.00 65.30 N ATOM 565 CA SER A 394 -1.835 9.853 -6.002 1.00 0.12 C ATOM 566 C SER A 394 -1.031 9.630 -4.730 1.00 51.21 C ATOM 567 O SER A 394 -1.383 8.772 -3.910 1.00 24.30 O ATOM 568 CB SER A 394 -2.974 10.854 -5.729 1.00 52.23 C ATOM 569 OG SER A 394 -3.759 11.075 -6.901 1.00 2.15 O ATOM 0 H SER A 394 -2.519 7.896 -5.752 1.00 65.30 H new ATOM 0 HA SER A 394 -1.176 10.259 -6.769 1.00 0.12 H new ATOM 0 HB2 SER A 394 -3.610 10.476 -4.928 1.00 52.23 H new ATOM 0 HB3 SER A 394 -2.556 11.800 -5.385 1.00 52.23 H new ATOM 0 HG SER A 394 -4.475 11.713 -6.699 1.00 2.15 H new ATOM 575 N GLN A 395 0.068 10.349 -4.590 1.00 72.21 N ATOM 576 CA GLN A 395 0.836 10.310 -3.372 1.00 2.43 C ATOM 577 C GLN A 395 0.903 11.713 -2.865 1.00 61.15 C ATOM 578 O GLN A 395 1.220 12.625 -3.630 1.00 42.15 O ATOM 579 CB GLN A 395 2.297 9.876 -3.565 1.00 41.55 C ATOM 580 CG GLN A 395 2.589 8.658 -4.452 1.00 15.10 C ATOM 581 CD GLN A 395 2.310 8.885 -5.930 1.00 24.41 C ATOM 582 OE1 GLN A 395 2.081 7.824 -6.656 1.00 13.52 O flip ATOM 583 NE2 GLN A 395 2.378 10.008 -6.421 1.00 4.13 N flip ATOM 0 H GLN A 395 0.444 10.966 -5.310 1.00 72.21 H new ATOM 0 HA GLN A 395 0.351 9.593 -2.710 1.00 2.43 H new ATOM 0 HB2 GLN A 395 2.843 10.725 -3.977 1.00 41.55 H new ATOM 0 HB3 GLN A 395 2.716 9.676 -2.579 1.00 41.55 H new ATOM 0 HG2 GLN A 395 3.635 8.375 -4.330 1.00 15.10 H new ATOM 0 HG3 GLN A 395 1.989 7.817 -4.105 1.00 15.10 H new ATOM 0 HE21 GLN A 395 2.558 10.815 -5.824 1.00 4.13 H new ATOM 0 HE22 GLN A 395 2.254 10.134 -7.426 1.00 4.13 H new ATOM 591 N GLU A 396 0.615 11.910 -1.633 1.00 34.52 N ATOM 592 CA GLU A 396 0.739 13.214 -1.057 1.00 41.12 C ATOM 593 C GLU A 396 1.556 13.115 0.205 1.00 34.45 C ATOM 594 O GLU A 396 1.098 12.547 1.199 1.00 55.30 O ATOM 595 CB GLU A 396 -0.634 13.814 -0.764 1.00 75.02 C ATOM 596 CG GLU A 396 -0.570 15.234 -0.240 1.00 53.34 C ATOM 597 CD GLU A 396 -1.920 15.808 0.053 1.00 24.41 C ATOM 598 OE1 GLU A 396 -2.555 16.358 -0.860 1.00 42.03 O ATOM 599 OE2 GLU A 396 -2.374 15.727 1.213 1.00 30.34 O ATOM 0 H GLU A 396 0.289 11.186 -0.993 1.00 34.52 H new ATOM 0 HA GLU A 396 1.240 13.874 -1.765 1.00 41.12 H new ATOM 0 HB2 GLU A 396 -1.232 13.797 -1.675 1.00 75.02 H new ATOM 0 HB3 GLU A 396 -1.148 13.188 -0.034 1.00 75.02 H new ATOM 0 HG2 GLU A 396 0.033 15.254 0.668 1.00 53.34 H new ATOM 0 HG3 GLU A 396 -0.064 15.864 -0.972 1.00 53.34 H new ATOM 606 N GLY A 397 2.763 13.641 0.167 1.00 31.24 N ATOM 607 CA GLY A 397 3.627 13.599 1.319 1.00 34.40 C ATOM 608 C GLY A 397 4.042 12.184 1.664 1.00 0.03 C ATOM 609 O GLY A 397 4.918 11.605 1.026 1.00 24.14 O ATOM 0 H GLY A 397 3.164 14.101 -0.650 1.00 31.24 H new ATOM 0 HA2 GLY A 397 4.515 14.201 1.128 1.00 34.40 H new ATOM 0 HA3 GLY A 397 3.116 14.045 2.172 1.00 34.40 H new ATOM 613 N ASN A 398 3.396 11.633 2.657 1.00 3.21 N ATOM 614 CA ASN A 398 3.692 10.299 3.145 1.00 34.43 C ATOM 615 C ASN A 398 2.432 9.433 3.067 1.00 42.05 C ATOM 616 O ASN A 398 2.342 8.377 3.695 1.00 2.31 O ATOM 617 CB ASN A 398 4.185 10.400 4.601 1.00 40.42 C ATOM 618 CG ASN A 398 3.116 10.919 5.564 1.00 72.34 C ATOM 619 OD1 ASN A 398 2.938 12.123 5.713 1.00 63.45 O ATOM 620 ND2 ASN A 398 2.461 10.027 6.255 1.00 54.51 N ATOM 0 H ASN A 398 2.640 12.097 3.160 1.00 3.21 H new ATOM 0 HA ASN A 398 4.468 9.839 2.533 1.00 34.43 H new ATOM 0 HB2 ASN A 398 4.518 9.417 4.934 1.00 40.42 H new ATOM 0 HB3 ASN A 398 5.051 11.061 4.640 1.00 40.42 H new ATOM 0 HD21 ASN A 398 1.773 10.323 6.948 1.00 54.51 H new ATOM 0 HD22 ASN A 398 2.637 9.034 6.103 1.00 54.51 H new ATOM 626 N VAL A 399 1.478 9.862 2.261 1.00 4.13 N ATOM 627 CA VAL A 399 0.210 9.160 2.137 1.00 73.34 C ATOM 628 C VAL A 399 0.045 8.762 0.700 1.00 74.10 C ATOM 629 O VAL A 399 0.155 9.601 -0.196 1.00 50.12 O ATOM 630 CB VAL A 399 -0.990 10.044 2.591 1.00 24.44 C ATOM 631 CG1 VAL A 399 -2.306 9.287 2.469 1.00 62.34 C ATOM 632 CG2 VAL A 399 -0.792 10.532 4.020 1.00 24.42 C ATOM 0 H VAL A 399 1.556 10.696 1.680 1.00 4.13 H new ATOM 0 HA VAL A 399 0.219 8.284 2.786 1.00 73.34 H new ATOM 0 HB VAL A 399 -1.032 10.910 1.931 1.00 24.44 H new ATOM 0 HG11 VAL A 399 -3.126 9.928 2.793 1.00 62.34 H new ATOM 0 HG12 VAL A 399 -2.462 8.994 1.431 1.00 62.34 H new ATOM 0 HG13 VAL A 399 -2.273 8.396 3.096 1.00 62.34 H new ATOM 0 HG21 VAL A 399 -1.642 11.147 4.315 1.00 24.42 H new ATOM 0 HG22 VAL A 399 -0.714 9.675 4.689 1.00 24.42 H new ATOM 0 HG23 VAL A 399 0.122 11.123 4.079 1.00 24.42 H new ATOM 638 N LEU A 400 -0.194 7.508 0.472 1.00 72.43 N ATOM 639 CA LEU A 400 -0.217 6.991 -0.867 1.00 31.21 C ATOM 640 C LEU A 400 -1.556 6.310 -1.141 1.00 14.23 C ATOM 641 O LEU A 400 -1.952 5.390 -0.418 1.00 14.43 O ATOM 642 CB LEU A 400 0.921 5.973 -1.012 1.00 64.21 C ATOM 643 CG LEU A 400 2.320 6.370 -0.456 1.00 54.14 C ATOM 644 CD1 LEU A 400 3.319 5.253 -0.658 1.00 72.25 C ATOM 645 CD2 LEU A 400 2.841 7.641 -1.078 1.00 11.40 C ATOM 0 H LEU A 400 -0.377 6.817 1.199 1.00 72.43 H new ATOM 0 HA LEU A 400 -0.088 7.804 -1.582 1.00 31.21 H new ATOM 0 HB2 LEU A 400 0.612 5.052 -0.518 1.00 64.21 H new ATOM 0 HB3 LEU A 400 1.034 5.744 -2.072 1.00 64.21 H new ATOM 0 HG LEU A 400 2.193 6.548 0.612 1.00 54.14 H new ATOM 0 HD11 LEU A 400 4.288 5.555 -0.261 1.00 72.25 H new ATOM 0 HD12 LEU A 400 2.976 4.359 -0.136 1.00 72.25 H new ATOM 0 HD13 LEU A 400 3.414 5.038 -1.722 1.00 72.25 H new ATOM 0 HD21 LEU A 400 3.819 7.877 -0.659 1.00 11.40 H new ATOM 0 HD22 LEU A 400 2.931 7.508 -2.156 1.00 11.40 H new ATOM 0 HD23 LEU A 400 2.150 8.458 -0.869 1.00 11.40 H new ATOM 653 N LYS A 401 -2.243 6.750 -2.171 1.00 60.34 N ATOM 654 CA LYS A 401 -3.520 6.172 -2.523 1.00 33.30 C ATOM 655 C LYS A 401 -3.384 5.322 -3.776 1.00 30.02 C ATOM 656 O LYS A 401 -2.898 5.803 -4.813 1.00 10.32 O ATOM 657 CB LYS A 401 -4.573 7.260 -2.757 1.00 23.14 C ATOM 658 CG LYS A 401 -5.982 6.707 -2.951 1.00 54.34 C ATOM 659 CD LYS A 401 -6.408 5.904 -1.731 1.00 23.31 C ATOM 660 CE LYS A 401 -7.784 5.261 -1.899 1.00 63.04 C ATOM 661 NZ LYS A 401 -8.861 6.252 -2.096 1.00 54.12 N ATOM 0 H LYS A 401 -1.938 7.508 -2.781 1.00 60.34 H new ATOM 0 HA LYS A 401 -3.844 5.547 -1.691 1.00 33.30 H new ATOM 0 HB2 LYS A 401 -4.573 7.944 -1.908 1.00 23.14 H new ATOM 0 HB3 LYS A 401 -4.295 7.842 -3.636 1.00 23.14 H new ATOM 0 HG2 LYS A 401 -6.681 7.526 -3.118 1.00 54.34 H new ATOM 0 HG3 LYS A 401 -6.013 6.076 -3.839 1.00 54.34 H new ATOM 0 HD2 LYS A 401 -5.669 5.126 -1.537 1.00 23.31 H new ATOM 0 HD3 LYS A 401 -6.421 6.556 -0.858 1.00 23.31 H new ATOM 0 HE2 LYS A 401 -7.761 4.583 -2.752 1.00 63.04 H new ATOM 0 HE3 LYS A 401 -8.008 4.659 -1.019 1.00 63.04 H new ATOM 0 HZ1 LYS A 401 -9.767 5.845 -1.788 1.00 54.12 H new ATOM 0 HZ2 LYS A 401 -8.656 7.104 -1.536 1.00 54.12 H new ATOM 0 HZ3 LYS A 401 -8.919 6.506 -3.103 1.00 54.12 H new ATOM 675 N TYR A 402 -3.792 4.072 -3.691 1.00 41.11 N ATOM 676 CA TYR A 402 -3.705 3.178 -4.824 1.00 63.03 C ATOM 677 C TYR A 402 -5.099 2.731 -5.190 1.00 24.44 C ATOM 678 O TYR A 402 -5.873 2.391 -4.306 1.00 42.45 O ATOM 679 CB TYR A 402 -2.883 1.936 -4.484 1.00 51.20 C ATOM 680 CG TYR A 402 -1.768 2.164 -3.516 1.00 5.52 C ATOM 681 CD1 TYR A 402 -0.780 3.066 -3.772 1.00 61.20 C ATOM 682 CD2 TYR A 402 -1.717 1.459 -2.328 1.00 3.23 C ATOM 683 CE1 TYR A 402 0.231 3.266 -2.884 1.00 65.25 C ATOM 684 CE2 TYR A 402 -0.692 1.654 -1.440 1.00 23.45 C ATOM 685 CZ TYR A 402 0.274 2.554 -1.728 1.00 2.52 C ATOM 686 OH TYR A 402 1.312 2.730 -0.863 1.00 24.32 O ATOM 0 H TYR A 402 -4.187 3.654 -2.849 1.00 41.11 H new ATOM 0 HA TYR A 402 -3.224 3.707 -5.647 1.00 63.03 H new ATOM 0 HB2 TYR A 402 -3.550 1.178 -4.075 1.00 51.20 H new ATOM 0 HB3 TYR A 402 -2.467 1.530 -5.406 1.00 51.20 H new ATOM 0 HD1 TYR A 402 -0.800 3.630 -4.693 1.00 61.20 H new ATOM 0 HD2 TYR A 402 -2.495 0.746 -2.097 1.00 3.23 H new ATOM 0 HE1 TYR A 402 1.001 3.992 -3.099 1.00 65.25 H new ATOM 0 HE2 TYR A 402 -0.656 1.093 -0.518 1.00 23.45 H new ATOM 0 HH TYR A 402 2.159 2.662 -1.351 1.00 24.32 H new ATOM 696 N GLU A 403 -5.412 2.730 -6.465 1.00 53.14 N ATOM 697 CA GLU A 403 -6.721 2.313 -6.974 1.00 34.01 C ATOM 698 C GLU A 403 -6.556 1.641 -8.330 1.00 34.33 C ATOM 699 O GLU A 403 -5.441 1.566 -8.839 1.00 52.23 O ATOM 700 CB GLU A 403 -7.707 3.511 -7.069 1.00 22.50 C ATOM 701 CG GLU A 403 -8.127 4.085 -5.717 1.00 60.23 C ATOM 702 CD GLU A 403 -9.053 5.266 -5.812 1.00 75.31 C ATOM 703 OE1 GLU A 403 -10.244 5.083 -6.166 1.00 23.34 O ATOM 704 OE2 GLU A 403 -8.622 6.397 -5.485 1.00 22.43 O ATOM 0 H GLU A 403 -4.764 3.021 -7.197 1.00 53.14 H new ATOM 0 HA GLU A 403 -7.149 1.599 -6.271 1.00 34.01 H new ATOM 0 HB2 GLU A 403 -7.244 4.302 -7.659 1.00 22.50 H new ATOM 0 HB3 GLU A 403 -8.599 3.191 -7.608 1.00 22.50 H new ATOM 0 HG2 GLU A 403 -8.614 3.301 -5.137 1.00 60.23 H new ATOM 0 HG3 GLU A 403 -7.234 4.381 -5.167 1.00 60.23 H new ATOM 711 N ASN A 404 -7.652 1.128 -8.887 1.00 40.11 N ATOM 712 CA ASN A 404 -7.676 0.528 -10.248 1.00 62.13 C ATOM 713 C ASN A 404 -6.844 -0.762 -10.359 1.00 41.24 C ATOM 714 O ASN A 404 -6.389 -1.117 -11.445 1.00 13.23 O ATOM 715 CB ASN A 404 -7.199 1.553 -11.304 1.00 13.11 C ATOM 716 CG ASN A 404 -8.072 2.796 -11.414 1.00 62.00 C ATOM 717 OD1 ASN A 404 -9.362 2.662 -11.191 1.00 22.52 O flip ATOM 718 ND2 ASN A 404 -7.578 3.883 -11.715 1.00 61.10 N flip ATOM 0 H ASN A 404 -8.557 1.110 -8.418 1.00 40.11 H new ATOM 0 HA ASN A 404 -8.714 0.255 -10.440 1.00 62.13 H new ATOM 0 HB2 ASN A 404 -6.181 1.859 -11.062 1.00 13.11 H new ATOM 0 HB3 ASN A 404 -7.161 1.063 -12.277 1.00 13.11 H new ATOM 0 HD21 ASN A 404 -6.575 3.958 -11.882 1.00 61.10 H new ATOM 0 HD22 ASN A 404 -8.172 4.708 -11.797 1.00 61.10 H new ATOM 724 N GLY A 405 -6.696 -1.481 -9.247 1.00 55.41 N ATOM 725 CA GLY A 405 -5.984 -2.756 -9.257 1.00 75.40 C ATOM 726 C GLY A 405 -6.764 -3.897 -9.936 1.00 64.24 C ATOM 727 O GLY A 405 -7.417 -3.696 -10.958 1.00 1.23 O ATOM 0 H GLY A 405 -7.057 -1.204 -8.334 1.00 55.41 H new ATOM 0 HA2 GLY A 405 -5.031 -2.625 -9.769 1.00 75.40 H new ATOM 0 HA3 GLY A 405 -5.758 -3.044 -8.230 1.00 75.40 H new ATOM 731 N GLN A 406 -6.705 -5.079 -9.359 1.00 34.35 N ATOM 732 CA GLN A 406 -7.356 -6.251 -9.930 1.00 75.52 C ATOM 733 C GLN A 406 -8.858 -6.135 -9.623 1.00 2.52 C ATOM 734 O GLN A 406 -9.242 -5.592 -8.576 1.00 30.33 O ATOM 735 CB GLN A 406 -6.731 -7.523 -9.295 1.00 72.44 C ATOM 736 CG GLN A 406 -6.813 -8.848 -10.086 1.00 64.33 C ATOM 737 CD GLN A 406 -8.195 -9.385 -10.313 1.00 51.24 C ATOM 738 OE1 GLN A 406 -8.836 -9.090 -11.316 1.00 54.25 O ATOM 739 NE2 GLN A 406 -8.664 -10.168 -9.388 1.00 24.41 N ATOM 0 H GLN A 406 -6.209 -5.259 -8.486 1.00 34.35 H new ATOM 0 HA GLN A 406 -7.218 -6.316 -11.009 1.00 75.52 H new ATOM 0 HB2 GLN A 406 -5.679 -7.316 -9.100 1.00 72.44 H new ATOM 0 HB3 GLN A 406 -7.209 -7.682 -8.328 1.00 72.44 H new ATOM 0 HG2 GLN A 406 -6.336 -8.701 -11.055 1.00 64.33 H new ATOM 0 HG3 GLN A 406 -6.232 -9.603 -9.556 1.00 64.33 H new ATOM 0 HE21 GLN A 406 -8.096 -10.387 -8.569 1.00 24.41 H new ATOM 0 HE22 GLN A 406 -9.600 -10.563 -9.481 1.00 24.41 H new ATOM 747 N SER A 407 -9.674 -6.583 -10.538 1.00 22.51 N ATOM 748 CA SER A 407 -11.105 -6.499 -10.432 1.00 74.54 C ATOM 749 C SER A 407 -11.626 -7.364 -9.277 1.00 72.23 C ATOM 750 O SER A 407 -11.278 -8.549 -9.141 1.00 35.14 O ATOM 751 CB SER A 407 -11.749 -6.910 -11.768 1.00 12.22 C ATOM 752 OG SER A 407 -13.164 -6.755 -11.748 1.00 21.41 O ATOM 0 H SER A 407 -9.354 -7.027 -11.399 1.00 22.51 H new ATOM 0 HA SER A 407 -11.381 -5.467 -10.213 1.00 74.54 H new ATOM 0 HB2 SER A 407 -11.330 -6.307 -12.573 1.00 12.22 H new ATOM 0 HB3 SER A 407 -11.501 -7.949 -11.985 1.00 12.22 H new ATOM 0 HG SER A 407 -13.535 -7.024 -12.614 1.00 21.41 H new ATOM 826 N HIS A 413 -12.439 -2.312 -8.756 1.00 33.32 N ATOM 827 CA HIS A 413 -11.079 -2.828 -8.719 1.00 3.34 C ATOM 828 C HIS A 413 -10.578 -2.622 -7.319 1.00 1.20 C ATOM 829 O HIS A 413 -11.091 -1.732 -6.614 1.00 63.43 O ATOM 830 CB HIS A 413 -10.121 -2.054 -9.680 1.00 14.51 C ATOM 831 CG HIS A 413 -10.413 -2.165 -11.154 1.00 12.43 C ATOM 832 ND1 HIS A 413 -9.920 -3.168 -11.943 1.00 45.23 N ATOM 833 CD2 HIS A 413 -11.156 -1.385 -11.976 1.00 64.54 C ATOM 834 CE1 HIS A 413 -10.350 -3.016 -13.165 1.00 2.12 C ATOM 835 NE2 HIS A 413 -11.096 -1.941 -13.219 1.00 25.43 N ATOM 0 HA HIS A 413 -11.092 -3.873 -9.028 1.00 3.34 H new ATOM 0 HB2 HIS A 413 -10.143 -0.999 -9.406 1.00 14.51 H new ATOM 0 HB3 HIS A 413 -9.105 -2.408 -9.506 1.00 14.51 H new ATOM 0 HD1 HIS A 413 -9.309 -3.920 -11.624 1.00 45.23 H new ATOM 0 HD2 HIS A 413 -11.694 -0.491 -11.698 1.00 64.54 H new ATOM 0 HE1 HIS A 413 -10.127 -3.669 -13.996 1.00 2.12 H new ATOM 844 N ARG A 414 -9.615 -3.412 -6.892 1.00 34.41 N ATOM 845 CA ARG A 414 -9.028 -3.223 -5.585 1.00 62.21 C ATOM 846 C ARG A 414 -8.299 -1.912 -5.483 1.00 33.42 C ATOM 847 O ARG A 414 -7.882 -1.310 -6.500 1.00 41.04 O ATOM 848 CB ARG A 414 -8.121 -4.372 -5.170 1.00 40.12 C ATOM 849 CG ARG A 414 -8.851 -5.649 -4.857 1.00 22.35 C ATOM 850 CD ARG A 414 -7.888 -6.786 -4.559 1.00 52.21 C ATOM 851 NE ARG A 414 -8.585 -8.065 -4.418 1.00 14.52 N ATOM 852 CZ ARG A 414 -8.172 -9.118 -3.699 1.00 73.40 C ATOM 853 NH1 ARG A 414 -7.070 -9.042 -2.946 1.00 3.52 N ATOM 854 NH2 ARG A 414 -8.875 -10.242 -3.727 1.00 42.33 N ATOM 0 H ARG A 414 -9.225 -4.187 -7.429 1.00 34.41 H new ATOM 0 HA ARG A 414 -9.864 -3.206 -4.886 1.00 62.21 H new ATOM 0 HB2 ARG A 414 -7.405 -4.562 -5.969 1.00 40.12 H new ATOM 0 HB3 ARG A 414 -7.548 -4.070 -4.294 1.00 40.12 H new ATOM 0 HG2 ARG A 414 -9.507 -5.493 -4.000 1.00 22.35 H new ATOM 0 HG3 ARG A 414 -9.487 -5.921 -5.700 1.00 22.35 H new ATOM 0 HD2 ARG A 414 -7.153 -6.859 -5.360 1.00 52.21 H new ATOM 0 HD3 ARG A 414 -7.340 -6.568 -3.642 1.00 52.21 H new ATOM 0 HE ARG A 414 -9.470 -8.165 -4.915 1.00 14.52 H new ATOM 0 HH11 ARG A 414 -6.533 -8.175 -2.914 1.00 3.52 H new ATOM 0 HH12 ARG A 414 -6.766 -9.851 -2.403 1.00 3.52 H new ATOM 0 HH21 ARG A 414 -9.722 -10.300 -4.292 1.00 42.33 H new ATOM 0 HH22 ARG A 414 -8.569 -11.049 -3.183 1.00 42.33 H new ATOM 866 N SER A 415 -8.162 -1.474 -4.280 1.00 24.11 N ATOM 867 CA SER A 415 -7.538 -0.256 -3.970 1.00 53.31 C ATOM 868 C SER A 415 -7.099 -0.279 -2.512 1.00 34.21 C ATOM 869 O SER A 415 -7.557 -1.127 -1.742 1.00 40.34 O ATOM 870 CB SER A 415 -8.519 0.884 -4.233 1.00 71.12 C ATOM 871 OG SER A 415 -9.743 0.672 -3.546 1.00 45.03 O ATOM 0 H SER A 415 -8.498 -1.981 -3.461 1.00 24.11 H new ATOM 0 HA SER A 415 -6.656 -0.105 -4.593 1.00 53.31 H new ATOM 0 HB2 SER A 415 -8.078 1.828 -3.914 1.00 71.12 H new ATOM 0 HB3 SER A 415 -8.708 0.966 -5.303 1.00 71.12 H new ATOM 0 HG SER A 415 -9.805 -0.266 -3.270 1.00 45.03 H new ATOM 877 N ALA A 416 -6.227 0.615 -2.140 1.00 25.43 N ATOM 878 CA ALA A 416 -5.733 0.682 -0.800 1.00 73.41 C ATOM 879 C ALA A 416 -5.148 2.034 -0.538 1.00 41.43 C ATOM 880 O ALA A 416 -4.692 2.714 -1.461 1.00 2.21 O ATOM 881 CB ALA A 416 -4.677 -0.392 -0.553 1.00 41.13 C ATOM 0 H ALA A 416 -5.838 1.321 -2.765 1.00 25.43 H new ATOM 0 HA ALA A 416 -6.568 0.509 -0.121 1.00 73.41 H new ATOM 0 HB1 ALA A 416 -4.317 -0.319 0.473 1.00 41.13 H new ATOM 0 HB2 ALA A 416 -5.115 -1.377 -0.715 1.00 41.13 H new ATOM 0 HB3 ALA A 416 -3.844 -0.248 -1.240 1.00 41.13 H new ATOM 887 N ILE A 417 -5.190 2.443 0.683 1.00 53.21 N ATOM 888 CA ILE A 417 -4.537 3.649 1.068 1.00 72.23 C ATOM 889 C ILE A 417 -3.466 3.317 2.079 1.00 62.34 C ATOM 890 O ILE A 417 -3.725 2.709 3.119 1.00 70.22 O ATOM 891 CB ILE A 417 -5.487 4.790 1.596 1.00 32.03 C ATOM 892 CG1 ILE A 417 -4.671 6.085 1.790 1.00 42.01 C ATOM 893 CG2 ILE A 417 -6.172 4.405 2.913 1.00 52.32 C ATOM 894 CD1 ILE A 417 -5.485 7.281 2.232 1.00 2.31 C ATOM 0 H ILE A 417 -5.673 1.957 1.438 1.00 53.21 H new ATOM 0 HA ILE A 417 -4.103 4.072 0.162 1.00 72.23 H new ATOM 0 HB ILE A 417 -6.270 4.945 0.854 1.00 32.03 H new ATOM 0 HG12 ILE A 417 -3.891 5.900 2.528 1.00 42.01 H new ATOM 0 HG13 ILE A 417 -4.172 6.328 0.852 1.00 42.01 H new ATOM 0 HG21 ILE A 417 -6.817 5.221 3.240 1.00 52.32 H new ATOM 0 HG22 ILE A 417 -6.771 3.507 2.763 1.00 52.32 H new ATOM 0 HG23 ILE A 417 -5.416 4.213 3.674 1.00 52.32 H new ATOM 0 HD11 ILE A 417 -4.831 8.146 2.343 1.00 2.31 H new ATOM 0 HD12 ILE A 417 -6.249 7.498 1.485 1.00 2.31 H new ATOM 0 HD13 ILE A 417 -5.963 7.063 3.187 1.00 2.31 H new ATOM 901 N VAL A 418 -2.287 3.651 1.746 1.00 52.32 N ATOM 902 CA VAL A 418 -1.179 3.439 2.596 1.00 14.13 C ATOM 903 C VAL A 418 -0.762 4.726 3.227 1.00 2.12 C ATOM 904 O VAL A 418 -0.505 5.720 2.542 1.00 1.20 O ATOM 905 CB VAL A 418 -0.003 2.760 1.856 1.00 62.43 C ATOM 906 CG1 VAL A 418 1.298 3.017 2.545 1.00 61.13 C ATOM 907 CG2 VAL A 418 -0.213 1.266 1.812 1.00 4.30 C ATOM 0 H VAL A 418 -2.053 4.090 0.856 1.00 52.32 H new ATOM 0 HA VAL A 418 -1.485 2.752 3.385 1.00 14.13 H new ATOM 0 HB VAL A 418 0.029 3.179 0.850 1.00 62.43 H new ATOM 0 HG11 VAL A 418 2.103 2.525 1.998 1.00 61.13 H new ATOM 0 HG12 VAL A 418 1.486 4.090 2.580 1.00 61.13 H new ATOM 0 HG13 VAL A 418 1.256 2.623 3.560 1.00 61.13 H new ATOM 0 HG21 VAL A 418 0.620 0.797 1.289 1.00 4.30 H new ATOM 0 HG22 VAL A 418 -0.269 0.876 2.828 1.00 4.30 H new ATOM 0 HG23 VAL A 418 -1.142 1.044 1.287 1.00 4.30 H new ATOM 913 N THR A 419 -0.735 4.729 4.511 1.00 75.50 N ATOM 914 CA THR A 419 -0.295 5.863 5.220 1.00 63.24 C ATOM 915 C THR A 419 1.064 5.478 5.805 1.00 63.14 C ATOM 916 O THR A 419 1.153 4.567 6.639 1.00 70.23 O ATOM 917 CB THR A 419 -1.296 6.188 6.342 1.00 41.54 C ATOM 918 OG1 THR A 419 -2.628 5.942 5.839 1.00 53.32 O ATOM 919 CG2 THR A 419 -1.225 7.653 6.680 1.00 32.31 C ATOM 0 H THR A 419 -1.019 3.942 5.095 1.00 75.50 H new ATOM 0 HA THR A 419 -0.217 6.746 4.585 1.00 63.24 H new ATOM 0 HB THR A 419 -1.066 5.581 7.217 1.00 41.54 H new ATOM 0 HG1 THR A 419 -3.284 6.141 6.539 1.00 53.32 H new ATOM 0 HG21 THR A 419 -1.936 7.878 7.475 1.00 32.31 H new ATOM 0 HG22 THR A 419 -0.217 7.901 7.013 1.00 32.31 H new ATOM 0 HG23 THR A 419 -1.470 8.243 5.797 1.00 32.31 H new ATOM 925 N VAL A 420 2.107 6.123 5.351 1.00 3.00 N ATOM 926 CA VAL A 420 3.451 5.763 5.748 1.00 61.32 C ATOM 927 C VAL A 420 3.900 6.728 6.812 1.00 65.42 C ATOM 928 O VAL A 420 3.990 7.901 6.562 1.00 21.22 O ATOM 929 CB VAL A 420 4.435 5.866 4.548 1.00 75.31 C ATOM 930 CG1 VAL A 420 5.787 5.316 4.910 1.00 4.30 C ATOM 931 CG2 VAL A 420 3.893 5.182 3.306 1.00 24.14 C ATOM 0 H VAL A 420 2.054 6.907 4.701 1.00 3.00 H new ATOM 0 HA VAL A 420 3.449 4.736 6.112 1.00 61.32 H new ATOM 0 HB VAL A 420 4.544 6.925 4.315 1.00 75.31 H new ATOM 0 HG11 VAL A 420 6.455 5.400 4.053 1.00 4.30 H new ATOM 0 HG12 VAL A 420 6.197 5.881 5.747 1.00 4.30 H new ATOM 0 HG13 VAL A 420 5.690 4.268 5.192 1.00 4.30 H new ATOM 0 HG21 VAL A 420 4.613 5.279 2.494 1.00 24.14 H new ATOM 0 HG22 VAL A 420 3.724 4.126 3.517 1.00 24.14 H new ATOM 0 HG23 VAL A 420 2.952 5.649 3.015 1.00 24.14 H new ATOM 937 N GLU A 421 4.151 6.242 7.985 1.00 23.01 N ATOM 938 CA GLU A 421 4.508 7.106 9.088 1.00 62.11 C ATOM 939 C GLU A 421 5.964 6.923 9.500 1.00 34.41 C ATOM 940 O GLU A 421 6.707 6.197 8.867 1.00 31.34 O ATOM 941 CB GLU A 421 3.621 6.819 10.264 1.00 75.04 C ATOM 942 CG GLU A 421 2.149 6.913 9.976 1.00 45.52 C ATOM 943 CD GLU A 421 1.355 6.652 11.204 1.00 20.20 C ATOM 944 OE1 GLU A 421 1.303 5.495 11.641 1.00 11.21 O ATOM 945 OE2 GLU A 421 0.790 7.609 11.767 1.00 2.30 O ATOM 0 H GLU A 421 4.118 5.249 8.215 1.00 23.01 H new ATOM 0 HA GLU A 421 4.375 8.136 8.758 1.00 62.11 H new ATOM 0 HB2 GLU A 421 3.842 5.818 10.633 1.00 75.04 H new ATOM 0 HB3 GLU A 421 3.866 7.516 11.066 1.00 75.04 H new ATOM 0 HG2 GLU A 421 1.912 7.904 9.588 1.00 45.52 H new ATOM 0 HG3 GLU A 421 1.878 6.194 9.203 1.00 45.52 H new ATOM 952 N CYS A 422 6.341 7.573 10.570 1.00 0.15 N ATOM 953 CA CYS A 422 7.696 7.557 11.083 1.00 72.10 C ATOM 954 C CYS A 422 8.101 6.166 11.532 1.00 4.14 C ATOM 955 O CYS A 422 7.390 5.516 12.294 1.00 5.20 O ATOM 956 CB CYS A 422 7.796 8.536 12.262 1.00 21.43 C ATOM 957 SG CYS A 422 9.413 8.566 13.142 1.00 32.14 S ATOM 0 H CYS A 422 5.703 8.143 11.126 1.00 0.15 H new ATOM 0 HA CYS A 422 8.374 7.859 10.285 1.00 72.10 H new ATOM 0 HB2 CYS A 422 7.585 9.540 11.895 1.00 21.43 H new ATOM 0 HB3 CYS A 422 7.016 8.289 12.982 1.00 21.43 H new ATOM 0 HG CYS A 422 9.364 9.432 14.110 1.00 32.14 H new ATOM 962 N GLY A 423 9.229 5.724 11.051 1.00 0.41 N ATOM 963 CA GLY A 423 9.772 4.450 11.429 1.00 52.04 C ATOM 964 C GLY A 423 11.228 4.413 11.105 1.00 52.11 C ATOM 965 O GLY A 423 11.768 5.407 10.649 1.00 51.01 O ATOM 0 H GLY A 423 9.800 6.240 10.382 1.00 0.41 H new ATOM 0 HA2 GLY A 423 9.622 4.281 12.495 1.00 52.04 H new ATOM 0 HA3 GLY A 423 9.251 3.650 10.903 1.00 52.04 H new ATOM 969 N VAL A 424 11.865 3.302 11.341 1.00 53.31 N ATOM 970 CA VAL A 424 13.280 3.167 11.029 1.00 62.13 C ATOM 971 C VAL A 424 13.439 2.501 9.655 1.00 23.04 C ATOM 972 O VAL A 424 14.447 2.683 8.960 1.00 3.30 O ATOM 973 CB VAL A 424 14.020 2.329 12.119 1.00 34.44 C ATOM 974 CG1 VAL A 424 15.508 2.224 11.825 1.00 1.45 C ATOM 975 CG2 VAL A 424 13.805 2.939 13.495 1.00 0.10 C ATOM 0 H VAL A 424 11.437 2.470 11.748 1.00 53.31 H new ATOM 0 HA VAL A 424 13.727 4.161 11.009 1.00 62.13 H new ATOM 0 HB VAL A 424 13.600 1.323 12.103 1.00 34.44 H new ATOM 0 HG11 VAL A 424 15.992 1.634 12.604 1.00 1.45 H new ATOM 0 HG12 VAL A 424 15.655 1.740 10.859 1.00 1.45 H new ATOM 0 HG13 VAL A 424 15.945 3.222 11.801 1.00 1.45 H new ATOM 0 HG21 VAL A 424 14.327 2.343 14.243 1.00 0.10 H new ATOM 0 HG22 VAL A 424 14.194 3.957 13.506 1.00 0.10 H new ATOM 0 HG23 VAL A 424 12.739 2.955 13.723 1.00 0.10 H new ATOM 981 N GLU A 425 12.426 1.771 9.251 1.00 62.42 N ATOM 982 CA GLU A 425 12.465 1.051 8.007 1.00 14.33 C ATOM 983 C GLU A 425 11.111 1.081 7.340 1.00 0.45 C ATOM 984 O GLU A 425 10.089 1.253 8.011 1.00 1.03 O ATOM 985 CB GLU A 425 12.882 -0.399 8.262 1.00 53.45 C ATOM 986 CG GLU A 425 13.003 -1.224 7.003 1.00 45.30 C ATOM 987 CD GLU A 425 13.381 -2.639 7.266 1.00 12.11 C ATOM 988 OE1 GLU A 425 14.571 -2.908 7.473 1.00 63.12 O ATOM 989 OE2 GLU A 425 12.508 -3.515 7.237 1.00 71.03 O ATOM 0 H GLU A 425 11.557 1.662 9.775 1.00 62.42 H new ATOM 0 HA GLU A 425 13.192 1.527 7.349 1.00 14.33 H new ATOM 0 HB2 GLU A 425 13.839 -0.407 8.785 1.00 53.45 H new ATOM 0 HB3 GLU A 425 12.153 -0.867 8.924 1.00 53.45 H new ATOM 0 HG2 GLU A 425 12.053 -1.201 6.468 1.00 45.30 H new ATOM 0 HG3 GLU A 425 13.748 -0.771 6.349 1.00 45.30 H new ATOM 996 N ASN A 426 11.119 0.942 6.023 1.00 75.25 N ATOM 997 CA ASN A 426 9.908 0.844 5.237 1.00 31.43 C ATOM 998 C ASN A 426 9.290 -0.512 5.507 1.00 4.44 C ATOM 999 O ASN A 426 9.747 -1.527 4.978 1.00 12.52 O ATOM 1000 CB ASN A 426 10.221 0.938 3.737 1.00 61.50 C ATOM 1001 CG ASN A 426 10.945 2.198 3.324 1.00 42.25 C ATOM 1002 OD1 ASN A 426 10.779 3.259 3.904 1.00 43.22 O ATOM 1003 ND2 ASN A 426 11.779 2.076 2.332 1.00 24.13 N ATOM 0 H ASN A 426 11.975 0.894 5.470 1.00 75.25 H new ATOM 0 HA ASN A 426 9.236 1.658 5.509 1.00 31.43 H new ATOM 0 HB2 ASN A 426 10.825 0.077 3.450 1.00 61.50 H new ATOM 0 HB3 ASN A 426 9.287 0.872 3.179 1.00 61.50 H new ATOM 0 HD21 ASN A 426 12.318 2.882 2.017 1.00 24.13 H new ATOM 0 HD22 ASN A 426 11.893 1.174 1.870 1.00 24.13 H new ATOM 1009 N GLU A 427 8.316 -0.552 6.357 1.00 21.50 N ATOM 1010 CA GLU A 427 7.696 -1.802 6.717 1.00 51.20 C ATOM 1011 C GLU A 427 6.181 -1.682 6.647 1.00 23.04 C ATOM 1012 O GLU A 427 5.635 -0.594 6.879 1.00 4.51 O ATOM 1013 CB GLU A 427 8.140 -2.217 8.129 1.00 45.23 C ATOM 1014 CG GLU A 427 7.672 -3.597 8.544 1.00 52.23 C ATOM 1015 CD GLU A 427 8.242 -4.685 7.660 1.00 12.31 C ATOM 1016 OE1 GLU A 427 7.815 -4.812 6.501 1.00 14.41 O ATOM 1017 OE2 GLU A 427 9.118 -5.444 8.130 1.00 43.31 O ATOM 0 H GLU A 427 7.925 0.267 6.822 1.00 21.50 H new ATOM 0 HA GLU A 427 8.010 -2.570 6.010 1.00 51.20 H new ATOM 0 HB2 GLU A 427 9.228 -2.183 8.181 1.00 45.23 H new ATOM 0 HB3 GLU A 427 7.764 -1.487 8.846 1.00 45.23 H new ATOM 0 HG2 GLU A 427 7.963 -3.782 9.578 1.00 52.23 H new ATOM 0 HG3 GLU A 427 6.583 -3.635 8.508 1.00 52.23 H new ATOM 1024 N ILE A 428 5.504 -2.780 6.313 1.00 64.54 N ATOM 1025 CA ILE A 428 4.054 -2.789 6.294 1.00 72.33 C ATOM 1026 C ILE A 428 3.607 -3.105 7.708 1.00 73.42 C ATOM 1027 O ILE A 428 4.060 -4.086 8.304 1.00 73.02 O ATOM 1028 CB ILE A 428 3.467 -3.890 5.366 1.00 2.14 C ATOM 1029 CG1 ILE A 428 4.115 -3.886 3.966 1.00 45.34 C ATOM 1030 CG2 ILE A 428 1.955 -3.688 5.241 1.00 53.53 C ATOM 1031 CD1 ILE A 428 3.879 -2.638 3.168 1.00 44.41 C ATOM 0 H ILE A 428 5.939 -3.666 6.055 1.00 64.54 H new ATOM 0 HA ILE A 428 3.707 -1.824 5.924 1.00 72.33 H new ATOM 0 HB ILE A 428 3.686 -4.858 5.817 1.00 2.14 H new ATOM 0 HG12 ILE A 428 5.189 -4.031 4.078 1.00 45.34 H new ATOM 0 HG13 ILE A 428 3.735 -4.738 3.403 1.00 45.34 H new ATOM 0 HG21 ILE A 428 1.538 -4.457 4.591 1.00 53.53 H new ATOM 0 HG22 ILE A 428 1.496 -3.758 6.227 1.00 53.53 H new ATOM 0 HG23 ILE A 428 1.753 -2.705 4.815 1.00 53.53 H new ATOM 0 HD11 ILE A 428 4.372 -2.727 2.200 1.00 44.41 H new ATOM 0 HD12 ILE A 428 2.808 -2.498 3.019 1.00 44.41 H new ATOM 0 HD13 ILE A 428 4.285 -1.781 3.705 1.00 44.41 H new ATOM 1038 N VAL A 429 2.759 -2.295 8.241 1.00 12.33 N ATOM 1039 CA VAL A 429 2.303 -2.460 9.601 1.00 43.11 C ATOM 1040 C VAL A 429 1.036 -3.308 9.690 1.00 5.14 C ATOM 1041 O VAL A 429 0.985 -4.285 10.439 1.00 52.42 O ATOM 1042 CB VAL A 429 2.058 -1.076 10.258 1.00 43.12 C ATOM 1043 CG1 VAL A 429 1.378 -1.203 11.607 1.00 35.22 C ATOM 1044 CG2 VAL A 429 3.366 -0.323 10.395 1.00 73.42 C ATOM 0 H VAL A 429 2.354 -1.494 7.756 1.00 12.33 H new ATOM 0 HA VAL A 429 3.090 -2.988 10.140 1.00 43.11 H new ATOM 0 HB VAL A 429 1.388 -0.515 9.606 1.00 43.12 H new ATOM 0 HG11 VAL A 429 1.225 -0.211 12.032 1.00 35.22 H new ATOM 0 HG12 VAL A 429 0.414 -1.697 11.484 1.00 35.22 H new ATOM 0 HG13 VAL A 429 2.005 -1.792 12.276 1.00 35.22 H new ATOM 0 HG21 VAL A 429 3.181 0.647 10.857 1.00 73.42 H new ATOM 0 HG22 VAL A 429 4.053 -0.897 11.018 1.00 73.42 H new ATOM 0 HG23 VAL A 429 3.807 -0.177 9.409 1.00 73.42 H new ATOM 1050 N SER A 430 0.038 -2.967 8.917 1.00 42.13 N ATOM 1051 CA SER A 430 -1.259 -3.627 9.012 1.00 4.51 C ATOM 1052 C SER A 430 -2.064 -3.338 7.768 1.00 23.21 C ATOM 1053 O SER A 430 -1.760 -2.386 7.045 1.00 5.21 O ATOM 1054 CB SER A 430 -2.045 -3.107 10.249 1.00 53.04 C ATOM 1055 OG SER A 430 -1.338 -3.322 11.471 1.00 10.21 O ATOM 0 H SER A 430 0.089 -2.235 8.209 1.00 42.13 H new ATOM 0 HA SER A 430 -1.095 -4.700 9.115 1.00 4.51 H new ATOM 0 HB2 SER A 430 -2.243 -2.042 10.129 1.00 53.04 H new ATOM 0 HB3 SER A 430 -3.012 -3.607 10.299 1.00 53.04 H new ATOM 0 HG SER A 430 -1.868 -2.979 12.220 1.00 10.21 H new ATOM 1061 N VAL A 431 -3.072 -4.140 7.533 1.00 60.55 N ATOM 1062 CA VAL A 431 -3.963 -3.981 6.424 1.00 13.50 C ATOM 1063 C VAL A 431 -5.380 -4.309 6.862 1.00 44.10 C ATOM 1064 O VAL A 431 -5.676 -5.428 7.287 1.00 3.55 O ATOM 1065 CB VAL A 431 -3.525 -4.812 5.162 1.00 73.24 C ATOM 1066 CG1 VAL A 431 -3.261 -6.256 5.492 1.00 10.10 C ATOM 1067 CG2 VAL A 431 -4.565 -4.717 4.066 1.00 44.42 C ATOM 0 H VAL A 431 -3.297 -4.939 8.125 1.00 60.55 H new ATOM 0 HA VAL A 431 -3.924 -2.939 6.106 1.00 13.50 H new ATOM 0 HB VAL A 431 -2.590 -4.376 4.810 1.00 73.24 H new ATOM 0 HG11 VAL A 431 -2.962 -6.787 4.588 1.00 10.10 H new ATOM 0 HG12 VAL A 431 -2.463 -6.320 6.231 1.00 10.10 H new ATOM 0 HG13 VAL A 431 -4.167 -6.708 5.896 1.00 10.10 H new ATOM 0 HG21 VAL A 431 -4.240 -5.300 3.204 1.00 44.42 H new ATOM 0 HG22 VAL A 431 -5.515 -5.108 4.431 1.00 44.42 H new ATOM 0 HG23 VAL A 431 -4.690 -3.675 3.773 1.00 44.42 H new ATOM 1073 N LEU A 432 -6.229 -3.337 6.803 1.00 12.41 N ATOM 1074 CA LEU A 432 -7.587 -3.496 7.236 1.00 12.43 C ATOM 1075 C LEU A 432 -8.498 -3.124 6.084 1.00 41.32 C ATOM 1076 O LEU A 432 -8.220 -2.177 5.376 1.00 22.40 O ATOM 1077 CB LEU A 432 -7.846 -2.606 8.448 1.00 62.14 C ATOM 1078 CG LEU A 432 -9.141 -2.854 9.205 1.00 55.54 C ATOM 1079 CD1 LEU A 432 -9.144 -4.264 9.780 1.00 24.25 C ATOM 1080 CD2 LEU A 432 -9.304 -1.829 10.312 1.00 74.14 C ATOM 0 H LEU A 432 -6.005 -2.406 6.453 1.00 12.41 H new ATOM 0 HA LEU A 432 -7.780 -4.528 7.530 1.00 12.43 H new ATOM 0 HB2 LEU A 432 -7.015 -2.726 9.144 1.00 62.14 H new ATOM 0 HB3 LEU A 432 -7.837 -1.567 8.117 1.00 62.14 H new ATOM 0 HG LEU A 432 -9.980 -2.755 8.516 1.00 55.54 H new ATOM 0 HD11 LEU A 432 -10.075 -4.434 10.321 1.00 24.25 H new ATOM 0 HD12 LEU A 432 -9.058 -4.988 8.969 1.00 24.25 H new ATOM 0 HD13 LEU A 432 -8.302 -4.381 10.462 1.00 24.25 H new ATOM 0 HD21 LEU A 432 -10.235 -2.016 10.847 1.00 74.14 H new ATOM 0 HD22 LEU A 432 -8.466 -1.905 11.004 1.00 74.14 H new ATOM 0 HD23 LEU A 432 -9.329 -0.828 9.881 1.00 74.14 H new ATOM 1088 N GLU A 433 -9.530 -3.883 5.859 1.00 10.50 N ATOM 1089 CA GLU A 433 -10.403 -3.618 4.735 1.00 1.55 C ATOM 1090 C GLU A 433 -11.445 -2.539 5.155 1.00 53.31 C ATOM 1091 O GLU A 433 -12.095 -2.657 6.202 1.00 64.12 O ATOM 1092 CB GLU A 433 -11.060 -4.938 4.296 1.00 4.12 C ATOM 1093 CG GLU A 433 -11.599 -4.969 2.866 1.00 42.52 C ATOM 1094 CD GLU A 433 -12.653 -3.951 2.593 1.00 51.04 C ATOM 1095 OE1 GLU A 433 -13.735 -4.041 3.202 1.00 14.51 O ATOM 1096 OE2 GLU A 433 -12.408 -3.027 1.772 1.00 31.43 O ATOM 0 H GLU A 433 -9.793 -4.687 6.429 1.00 10.50 H new ATOM 0 HA GLU A 433 -9.850 -3.227 3.881 1.00 1.55 H new ATOM 0 HB2 GLU A 433 -10.330 -5.740 4.407 1.00 4.12 H new ATOM 0 HB3 GLU A 433 -11.881 -5.158 4.979 1.00 4.12 H new ATOM 0 HG2 GLU A 433 -10.772 -4.815 2.173 1.00 42.52 H new ATOM 0 HG3 GLU A 433 -12.004 -5.960 2.663 1.00 42.52 H new ATOM 1103 N ALA A 434 -11.559 -1.497 4.349 1.00 60.45 N ATOM 1104 CA ALA A 434 -12.426 -0.353 4.617 1.00 64.31 C ATOM 1105 C ALA A 434 -13.854 -0.507 4.073 1.00 22.04 C ATOM 1106 O ALA A 434 -14.827 -0.286 4.799 1.00 42.45 O ATOM 1107 CB ALA A 434 -11.801 0.914 4.053 1.00 65.13 C ATOM 0 H ALA A 434 -11.043 -1.417 3.473 1.00 60.45 H new ATOM 0 HA ALA A 434 -12.515 -0.292 5.702 1.00 64.31 H new ATOM 0 HB1 ALA A 434 -12.453 1.763 4.257 1.00 65.13 H new ATOM 0 HB2 ALA A 434 -10.831 1.081 4.521 1.00 65.13 H new ATOM 0 HB3 ALA A 434 -11.670 0.807 2.976 1.00 65.13 H new ATOM 1113 N GLN A 435 -13.989 -0.909 2.823 1.00 43.01 N ATOM 1114 CA GLN A 435 -15.308 -0.936 2.172 1.00 34.43 C ATOM 1115 C GLN A 435 -15.654 -2.336 1.654 1.00 42.13 C ATOM 1116 O GLN A 435 -16.571 -2.989 2.148 1.00 1.55 O ATOM 1117 CB GLN A 435 -15.366 0.097 1.031 1.00 41.24 C ATOM 1118 CG GLN A 435 -15.238 1.553 1.483 1.00 13.25 C ATOM 1119 CD GLN A 435 -15.286 2.532 0.324 1.00 74.22 C ATOM 1120 OE1 GLN A 435 -16.357 2.984 -0.080 1.00 54.44 O ATOM 1121 NE2 GLN A 435 -14.143 2.904 -0.189 1.00 35.24 N ATOM 0 H GLN A 435 -13.217 -1.221 2.234 1.00 43.01 H new ATOM 0 HA GLN A 435 -16.054 -0.671 2.922 1.00 34.43 H new ATOM 0 HB2 GLN A 435 -14.568 -0.121 0.321 1.00 41.24 H new ATOM 0 HB3 GLN A 435 -16.309 -0.023 0.498 1.00 41.24 H new ATOM 0 HG2 GLN A 435 -16.042 1.784 2.182 1.00 13.25 H new ATOM 0 HG3 GLN A 435 -14.300 1.681 2.023 1.00 13.25 H new ATOM 0 HE21 GLN A 435 -13.272 2.511 0.168 1.00 35.24 H new ATOM 0 HE22 GLN A 435 -14.122 3.587 -0.946 1.00 35.24 H new ATOM 1129 N LYS A 436 -14.930 -2.766 0.651 1.00 70.22 N ATOM 1130 CA LYS A 436 -15.034 -4.108 0.084 1.00 1.50 C ATOM 1131 C LYS A 436 -13.838 -4.375 -0.810 1.00 21.14 C ATOM 1132 O LYS A 436 -13.420 -5.521 -0.989 1.00 45.41 O ATOM 1133 CB LYS A 436 -16.357 -4.378 -0.686 1.00 43.52 C ATOM 1134 CG LYS A 436 -16.624 -3.496 -1.917 1.00 54.22 C ATOM 1135 CD LYS A 436 -17.019 -2.057 -1.566 1.00 73.14 C ATOM 1136 CE LYS A 436 -18.479 -1.911 -1.071 1.00 2.25 C ATOM 1137 NZ LYS A 436 -18.819 -2.728 0.122 1.00 61.22 N ATOM 0 H LYS A 436 -14.231 -2.186 0.187 1.00 70.22 H new ATOM 0 HA LYS A 436 -15.044 -4.798 0.928 1.00 1.50 H new ATOM 0 HB2 LYS A 436 -16.360 -5.420 -1.005 1.00 43.52 H new ATOM 0 HB3 LYS A 436 -17.188 -4.255 0.009 1.00 43.52 H new ATOM 0 HG2 LYS A 436 -15.730 -3.477 -2.541 1.00 54.22 H new ATOM 0 HG3 LYS A 436 -17.418 -3.947 -2.512 1.00 54.22 H new ATOM 0 HD2 LYS A 436 -16.345 -1.683 -0.795 1.00 73.14 H new ATOM 0 HD3 LYS A 436 -16.879 -1.427 -2.445 1.00 73.14 H new ATOM 0 HE2 LYS A 436 -18.666 -0.862 -0.840 1.00 2.25 H new ATOM 0 HE3 LYS A 436 -19.152 -2.184 -1.884 1.00 2.25 H new ATOM 0 HZ1 LYS A 436 -19.675 -2.346 0.572 1.00 61.22 H new ATOM 0 HZ2 LYS A 436 -18.991 -3.712 -0.168 1.00 61.22 H new ATOM 0 HZ3 LYS A 436 -18.030 -2.700 0.799 1.00 61.22 H new ATOM 1151 N CYS A 437 -13.285 -3.311 -1.359 1.00 51.23 N ATOM 1152 CA CYS A 437 -12.151 -3.395 -2.237 1.00 75.31 C ATOM 1153 C CYS A 437 -11.129 -2.338 -1.900 1.00 42.34 C ATOM 1154 O CYS A 437 -10.289 -2.006 -2.718 1.00 70.44 O ATOM 1155 CB CYS A 437 -12.605 -3.185 -3.664 1.00 44.01 C ATOM 1156 SG CYS A 437 -13.695 -4.475 -4.326 1.00 0.54 S ATOM 0 H CYS A 437 -13.618 -2.360 -1.202 1.00 51.23 H new ATOM 0 HA CYS A 437 -11.699 -4.380 -2.117 1.00 75.31 H new ATOM 0 HB2 CYS A 437 -13.122 -2.228 -3.727 1.00 44.01 H new ATOM 0 HB3 CYS A 437 -11.724 -3.114 -4.302 1.00 44.01 H new ATOM 0 HG CYS A 437 -14.017 -4.184 -5.551 1.00 0.54 H new ATOM 1161 N GLU A 438 -11.165 -1.843 -0.704 1.00 60.10 N ATOM 1162 CA GLU A 438 -10.269 -0.784 -0.322 1.00 32.03 C ATOM 1163 C GLU A 438 -9.680 -1.055 1.022 1.00 44.34 C ATOM 1164 O GLU A 438 -10.376 -1.168 1.999 1.00 71.32 O ATOM 1165 CB GLU A 438 -10.946 0.575 -0.386 1.00 71.04 C ATOM 1166 CG GLU A 438 -10.120 1.699 0.239 1.00 44.20 C ATOM 1167 CD GLU A 438 -10.764 3.052 0.154 1.00 43.13 C ATOM 1168 OE1 GLU A 438 -11.550 3.404 1.050 1.00 75.24 O ATOM 1169 OE2 GLU A 438 -10.482 3.798 -0.804 1.00 41.41 O ATOM 0 H GLU A 438 -11.803 -2.151 0.030 1.00 60.10 H new ATOM 0 HA GLU A 438 -9.451 -0.756 -1.042 1.00 32.03 H new ATOM 0 HB2 GLU A 438 -11.150 0.821 -1.428 1.00 71.04 H new ATOM 0 HB3 GLU A 438 -11.908 0.517 0.122 1.00 71.04 H new ATOM 0 HG2 GLU A 438 -9.936 1.461 1.287 1.00 44.20 H new ATOM 0 HG3 GLU A 438 -9.149 1.739 -0.254 1.00 44.20 H new ATOM 1176 N TYR A 439 -8.406 -1.157 1.057 1.00 4.44 N ATOM 1177 CA TYR A 439 -7.724 -1.528 2.250 1.00 53.31 C ATOM 1178 C TYR A 439 -6.958 -0.345 2.822 1.00 43.34 C ATOM 1179 O TYR A 439 -6.304 0.381 2.095 1.00 74.03 O ATOM 1180 CB TYR A 439 -6.758 -2.676 1.919 1.00 55.31 C ATOM 1181 CG TYR A 439 -7.435 -3.870 1.248 1.00 1.31 C ATOM 1182 CD1 TYR A 439 -7.684 -3.875 -0.128 1.00 60.44 C ATOM 1183 CD2 TYR A 439 -7.828 -4.975 1.981 1.00 31.21 C ATOM 1184 CE1 TYR A 439 -8.301 -4.936 -0.737 1.00 4.30 C ATOM 1185 CE2 TYR A 439 -8.445 -6.049 1.370 1.00 3.50 C ATOM 1186 CZ TYR A 439 -8.678 -6.019 0.011 1.00 11.04 C ATOM 1187 OH TYR A 439 -9.288 -7.080 -0.599 1.00 34.10 O ATOM 0 H TYR A 439 -7.797 -0.986 0.257 1.00 4.44 H new ATOM 0 HA TYR A 439 -8.447 -1.850 3.000 1.00 53.31 H new ATOM 0 HB2 TYR A 439 -5.971 -2.300 1.265 1.00 55.31 H new ATOM 0 HB3 TYR A 439 -6.276 -3.011 2.838 1.00 55.31 H new ATOM 0 HD1 TYR A 439 -7.384 -3.025 -0.723 1.00 60.44 H new ATOM 0 HD2 TYR A 439 -7.650 -4.998 3.046 1.00 31.21 H new ATOM 0 HE1 TYR A 439 -8.489 -4.918 -1.800 1.00 4.30 H new ATOM 0 HE2 TYR A 439 -8.743 -6.908 1.953 1.00 3.50 H new ATOM 0 HH TYR A 439 -9.492 -7.768 0.068 1.00 34.10 H new ATOM 1197 N LEU A 440 -7.062 -0.135 4.100 1.00 63.32 N ATOM 1198 CA LEU A 440 -6.267 0.864 4.750 1.00 51.12 C ATOM 1199 C LEU A 440 -5.063 0.190 5.349 1.00 10.41 C ATOM 1200 O LEU A 440 -5.179 -0.695 6.212 1.00 35.44 O ATOM 1201 CB LEU A 440 -7.030 1.730 5.802 1.00 71.20 C ATOM 1202 CG LEU A 440 -7.790 1.017 6.934 1.00 53.44 C ATOM 1203 CD1 LEU A 440 -8.023 1.984 8.081 1.00 51.22 C ATOM 1204 CD2 LEU A 440 -9.144 0.555 6.441 1.00 2.22 C ATOM 0 H LEU A 440 -7.694 -0.646 4.717 1.00 63.32 H new ATOM 0 HA LEU A 440 -5.969 1.588 3.992 1.00 51.12 H new ATOM 0 HB2 LEU A 440 -6.307 2.404 6.262 1.00 71.20 H new ATOM 0 HB3 LEU A 440 -7.746 2.350 5.263 1.00 71.20 H new ATOM 0 HG LEU A 440 -7.196 0.164 7.262 1.00 53.44 H new ATOM 0 HD11 LEU A 440 -8.561 1.476 8.881 1.00 51.22 H new ATOM 0 HD12 LEU A 440 -7.064 2.340 8.458 1.00 51.22 H new ATOM 0 HD13 LEU A 440 -8.611 2.831 7.729 1.00 51.22 H new ATOM 0 HD21 LEU A 440 -9.673 0.052 7.250 1.00 2.22 H new ATOM 0 HD22 LEU A 440 -9.724 1.416 6.109 1.00 2.22 H new ATOM 0 HD23 LEU A 440 -9.012 -0.136 5.609 1.00 2.22 H new ATOM 1212 N ILE A 441 -3.931 0.563 4.862 1.00 2.03 N ATOM 1213 CA ILE A 441 -2.682 -0.030 5.239 1.00 53.43 C ATOM 1214 C ILE A 441 -1.775 1.011 5.880 1.00 65.54 C ATOM 1215 O ILE A 441 -1.661 2.142 5.393 1.00 53.14 O ATOM 1216 CB ILE A 441 -1.998 -0.639 3.982 1.00 34.00 C ATOM 1217 CG1 ILE A 441 -2.850 -1.780 3.417 1.00 43.52 C ATOM 1218 CG2 ILE A 441 -0.581 -1.126 4.291 1.00 24.51 C ATOM 1219 CD1 ILE A 441 -2.388 -2.308 2.077 1.00 51.23 C ATOM 0 H ILE A 441 -3.839 1.308 4.172 1.00 2.03 H new ATOM 0 HA ILE A 441 -2.866 -0.820 5.967 1.00 53.43 H new ATOM 0 HB ILE A 441 -1.916 0.147 3.231 1.00 34.00 H new ATOM 0 HG12 ILE A 441 -2.855 -2.601 4.134 1.00 43.52 H new ATOM 0 HG13 ILE A 441 -3.879 -1.434 3.321 1.00 43.52 H new ATOM 0 HG21 ILE A 441 -0.135 -1.545 3.389 1.00 24.51 H new ATOM 0 HG22 ILE A 441 0.024 -0.289 4.639 1.00 24.51 H new ATOM 0 HG23 ILE A 441 -0.620 -1.892 5.066 1.00 24.51 H new ATOM 0 HD11 ILE A 441 -3.049 -3.112 1.755 1.00 51.23 H new ATOM 0 HD12 ILE A 441 -2.410 -1.504 1.342 1.00 51.23 H new ATOM 0 HD13 ILE A 441 -1.371 -2.689 2.167 1.00 51.23 H new ATOM 1226 N LYS A 442 -1.157 0.644 6.967 1.00 32.55 N ATOM 1227 CA LYS A 442 -0.243 1.516 7.623 1.00 4.13 C ATOM 1228 C LYS A 442 1.162 1.030 7.348 1.00 21.40 C ATOM 1229 O LYS A 442 1.401 -0.175 7.295 1.00 41.14 O ATOM 1230 CB LYS A 442 -0.523 1.556 9.127 1.00 64.42 C ATOM 1231 CG LYS A 442 0.379 2.512 9.904 1.00 32.44 C ATOM 1232 CD LYS A 442 0.051 2.522 11.390 1.00 40.43 C ATOM 1233 CE LYS A 442 -1.378 2.962 11.641 1.00 52.54 C ATOM 1234 NZ LYS A 442 -1.690 3.039 13.079 1.00 24.21 N ATOM 0 H LYS A 442 -1.276 -0.264 7.416 1.00 32.55 H new ATOM 0 HA LYS A 442 -0.359 2.531 7.243 1.00 4.13 H new ATOM 0 HB2 LYS A 442 -1.562 1.845 9.285 1.00 64.42 H new ATOM 0 HB3 LYS A 442 -0.406 0.552 9.534 1.00 64.42 H new ATOM 0 HG2 LYS A 442 1.420 2.222 9.764 1.00 32.44 H new ATOM 0 HG3 LYS A 442 0.272 3.519 9.502 1.00 32.44 H new ATOM 0 HD2 LYS A 442 0.204 1.525 11.804 1.00 40.43 H new ATOM 0 HD3 LYS A 442 0.736 3.192 11.910 1.00 40.43 H new ATOM 0 HE2 LYS A 442 -1.543 3.937 11.182 1.00 52.54 H new ATOM 0 HE3 LYS A 442 -2.062 2.263 11.159 1.00 52.54 H new ATOM 0 HZ1 LYS A 442 -2.677 3.343 13.204 1.00 24.21 H new ATOM 0 HZ2 LYS A 442 -1.559 2.103 13.513 1.00 24.21 H new ATOM 0 HZ3 LYS A 442 -1.055 3.725 13.536 1.00 24.21 H new ATOM 1248 N MET A 443 2.059 1.939 7.137 1.00 25.20 N ATOM 1249 CA MET A 443 3.437 1.636 6.885 1.00 53.13 C ATOM 1250 C MET A 443 4.278 2.585 7.640 1.00 33.14 C ATOM 1251 O MET A 443 3.774 3.562 8.190 1.00 34.34 O ATOM 1252 CB MET A 443 3.811 1.740 5.408 1.00 44.20 C ATOM 1253 CG MET A 443 3.212 0.694 4.507 1.00 44.43 C ATOM 1254 SD MET A 443 3.831 0.826 2.814 1.00 10.23 S ATOM 1255 CE MET A 443 5.604 0.648 3.070 1.00 15.02 C ATOM 0 H MET A 443 1.852 2.938 7.134 1.00 25.20 H new ATOM 0 HA MET A 443 3.601 0.605 7.198 1.00 53.13 H new ATOM 0 HB2 MET A 443 3.509 2.722 5.044 1.00 44.20 H new ATOM 0 HB3 MET A 443 4.896 1.688 5.323 1.00 44.20 H new ATOM 0 HG2 MET A 443 3.439 -0.297 4.900 1.00 44.43 H new ATOM 0 HG3 MET A 443 2.127 0.795 4.505 1.00 44.43 H new ATOM 0 HE1 MET A 443 6.062 0.236 2.171 1.00 15.02 H new ATOM 0 HE2 MET A 443 6.040 1.623 3.285 1.00 15.02 H new ATOM 0 HE3 MET A 443 5.785 -0.024 3.909 1.00 15.02 H new ATOM 1265 N LYS A 444 5.532 2.309 7.700 1.00 63.12 N ATOM 1266 CA LYS A 444 6.459 3.194 8.331 1.00 4.25 C ATOM 1267 C LYS A 444 7.620 3.387 7.417 1.00 61.43 C ATOM 1268 O LYS A 444 7.822 2.597 6.494 1.00 33.32 O ATOM 1269 CB LYS A 444 6.952 2.649 9.653 1.00 41.22 C ATOM 1270 CG LYS A 444 5.877 2.296 10.613 1.00 64.10 C ATOM 1271 CD LYS A 444 5.251 3.526 11.184 1.00 15.04 C ATOM 1272 CE LYS A 444 4.108 3.144 12.061 1.00 32.43 C ATOM 1273 NZ LYS A 444 3.446 4.284 12.728 1.00 12.15 N ATOM 0 H LYS A 444 5.950 1.463 7.314 1.00 63.12 H new ATOM 0 HA LYS A 444 5.953 4.138 8.532 1.00 4.25 H new ATOM 0 HB2 LYS A 444 7.557 1.763 9.463 1.00 41.22 H new ATOM 0 HB3 LYS A 444 7.606 3.389 10.115 1.00 41.22 H new ATOM 0 HG2 LYS A 444 5.118 1.696 10.111 1.00 64.10 H new ATOM 0 HG3 LYS A 444 6.287 1.685 11.417 1.00 64.10 H new ATOM 0 HD2 LYS A 444 5.988 4.090 11.755 1.00 15.04 H new ATOM 0 HD3 LYS A 444 4.905 4.176 10.381 1.00 15.04 H new ATOM 0 HE2 LYS A 444 3.370 2.609 11.464 1.00 32.43 H new ATOM 0 HE3 LYS A 444 4.465 2.450 12.822 1.00 32.43 H new ATOM 0 HZ1 LYS A 444 2.953 3.949 13.580 1.00 12.15 H new ATOM 0 HZ2 LYS A 444 4.160 4.991 12.996 1.00 12.15 H new ATOM 0 HZ3 LYS A 444 2.758 4.715 12.078 1.00 12.15 H new ATOM 1287 N SER A 445 8.345 4.419 7.656 1.00 20.35 N ATOM 1288 CA SER A 445 9.513 4.760 6.877 1.00 73.21 C ATOM 1289 C SER A 445 10.333 5.791 7.638 1.00 54.42 C ATOM 1290 O SER A 445 9.765 6.634 8.355 1.00 23.20 O ATOM 1291 CB SER A 445 9.081 5.356 5.516 1.00 11.44 C ATOM 1292 OG SER A 445 10.195 5.717 4.719 1.00 61.55 O ATOM 0 H SER A 445 8.151 5.075 8.413 1.00 20.35 H new ATOM 0 HA SER A 445 10.108 3.863 6.704 1.00 73.21 H new ATOM 0 HB2 SER A 445 8.471 4.630 4.979 1.00 11.44 H new ATOM 0 HB3 SER A 445 8.457 6.233 5.686 1.00 11.44 H new ATOM 0 HG SER A 445 10.578 4.914 4.308 1.00 61.55 H new ATOM 1298 N PRO A 446 11.676 5.749 7.518 1.00 14.23 N ATOM 1299 CA PRO A 446 12.546 6.745 8.146 1.00 41.04 C ATOM 1300 C PRO A 446 12.320 8.126 7.528 1.00 4.35 C ATOM 1301 O PRO A 446 12.482 9.160 8.184 1.00 70.51 O ATOM 1302 CB PRO A 446 13.965 6.237 7.841 1.00 62.14 C ATOM 1303 CG PRO A 446 13.808 5.338 6.661 1.00 73.43 C ATOM 1304 CD PRO A 446 12.450 4.719 6.789 1.00 10.14 C ATOM 0 HA PRO A 446 12.359 6.857 9.214 1.00 41.04 H new ATOM 0 HB2 PRO A 446 14.641 7.063 7.621 1.00 62.14 H new ATOM 0 HB3 PRO A 446 14.384 5.701 8.693 1.00 62.14 H new ATOM 0 HG2 PRO A 446 13.895 5.898 5.730 1.00 73.43 H new ATOM 0 HG3 PRO A 446 14.585 4.574 6.647 1.00 73.43 H new ATOM 0 HD2 PRO A 446 12.013 4.502 5.814 1.00 10.14 H new ATOM 0 HD3 PRO A 446 12.486 3.779 7.339 1.00 10.14 H new ATOM 1312 N ALA A 447 11.889 8.127 6.278 1.00 23.00 N ATOM 1313 CA ALA A 447 11.654 9.348 5.551 1.00 53.14 C ATOM 1314 C ALA A 447 10.285 9.924 5.890 1.00 31.44 C ATOM 1315 O ALA A 447 10.036 11.122 5.727 1.00 51.11 O ATOM 1316 CB ALA A 447 11.772 9.091 4.064 1.00 63.21 C ATOM 0 H ALA A 447 11.694 7.279 5.745 1.00 23.00 H new ATOM 0 HA ALA A 447 12.407 10.080 5.843 1.00 53.14 H new ATOM 0 HB1 ALA A 447 11.593 10.018 3.519 1.00 63.21 H new ATOM 0 HB2 ALA A 447 12.773 8.724 3.837 1.00 63.21 H new ATOM 0 HB3 ALA A 447 11.035 8.346 3.764 1.00 63.21 H new ATOM 1322 N ALA A 448 9.399 9.085 6.416 1.00 54.20 N ATOM 1323 CA ALA A 448 8.044 9.518 6.729 1.00 43.51 C ATOM 1324 C ALA A 448 7.989 10.110 8.105 1.00 10.12 C ATOM 1325 O ALA A 448 6.931 10.404 8.641 1.00 45.12 O ATOM 1326 CB ALA A 448 7.077 8.378 6.617 1.00 74.42 C ATOM 0 H ALA A 448 9.594 8.108 6.633 1.00 54.20 H new ATOM 0 HA ALA A 448 7.758 10.281 6.005 1.00 43.51 H new ATOM 0 HB1 ALA A 448 6.073 8.728 6.856 1.00 74.42 H new ATOM 0 HB2 ALA A 448 7.093 7.986 5.600 1.00 74.42 H new ATOM 0 HB3 ALA A 448 7.362 7.590 7.314 1.00 74.42 H new