USER MOD reduce.3.24.130724 H: found=0, std=0, add=976, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 829 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 476 ASN : amide:sc= -7.15! C(o=-12!,f=-12!) USER MOD Set 1.2: A 480 GLN : amide:sc= -4.98! K(o=-12!,f=-12) USER MOD Set 2.1: A 443 GLN : amide:sc= -3.53! K(o=-3.5!,f=-1.8) USER MOD Set 2.2: A 475 SER OG : rot -142:sc= 0.045 USER MOD Set 3.1: A 462 CYS SG : rot -160:sc= -3.77! USER MOD Set 3.2: A 503 THR OG1 : rot -114:sc= 0 USER MOD Set 4.1: A 458 SER OG : rot 152:sc= -1.23 USER MOD Set 4.2: A 494 SER OG : rot 80:sc= -1.52! USER MOD Set 4.3: A 498 GLN : amide:sc= 0.125 K(o=-2.6,f=-7.6!) USER MOD Set 5.1: A 401 HIS : no HD1:sc= -8.95! C(o=-8.7!,f=-12!) USER MOD Set 5.2: A 426 THR OG1 : rot -4:sc= 0.267! USER MOD Single : A 395 TYR OH : rot 180:sc= 0 USER MOD Single : A 396 ASN : amide:sc= -14.9! C(o=-15!,f=-12!) USER MOD Single : A 407 HIS : no HD1:sc= -2.6! K(o=-2.6!,f=-3.9) USER MOD Single : A 415 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 448 HIS : no HD1:sc= -0.198 X(o=-0.2,f=-0.053) USER MOD Single : A 449 SER OG : rot 138:sc= -4.49! USER MOD Single : A 457 THR OG1 : rot 180:sc= -1.54 USER MOD Single : A 459 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 465 SER OG : rot -85:sc= 0.271! USER MOD Single : A 467 HIS : no HD1:sc= -0.208 K(o=-0.21,f=-0.98) USER MOD Single : A 468 GLN : amide:sc= 0.0177 X(o=0.018,f=0) USER MOD Single : A 470 ASN : amide:sc= -4.53! K(o=-4.5!,f=-1.7) USER MOD Single : A 471 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 473 MET CE :methyl 149:sc= -2.95! (180deg=-5.56!) USER MOD Single : A 474 MET CE :methyl -118:sc= -1.88 (180deg=-6.28!) USER MOD Single : A 478 THR OG1 : rot -31:sc= 0.745 USER MOD Single : A 482 SER OG : rot 55:sc= 0.221 USER MOD Single : A 485 CYS SG : rot 180:sc= -1.66 USER MOD Single : A 495 SER OG : rot 180:sc= 0 USER MOD Single : A 500 SER OG : rot 180:sc= 0 USER MOD Single : A 501 SER OG : rot 180:sc= 0 USER MOD Single : A 505 SER OG : rot 180:sc= 0 USER MOD Single : A 508 SER OG : rot 180:sc= 0 USER MOD Single : A 516 HIS : no HD1:sc= -3.86! C(o=-3.9!,f=-9!) USER MOD Single : A 517 SER OG : rot 180:sc= -1.39 USER MOD Single : A 518 GLN : amide:sc= -1.02 K(o=-1,f=-1.8) USER MOD Single : A 523 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 526 ASN : amide:sc= -3.77! C(o=-3.8!,f=-4.6!) USER MOD Single : A 527 THR OG1 : rot 31:sc= 0.039 USER MOD Single : A 529 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 531 HIS : no HD1:sc= -0.119 X(o=-0.12,f=0) USER MOD ----------------------------------------------------------------- ATOM 125 N TYR A 395 3.999 8.881 3.527 1.00 15.45 N ATOM 126 CA TYR A 395 3.577 7.502 3.347 1.00 63.50 C ATOM 127 C TYR A 395 4.334 6.842 2.192 1.00 31.23 C ATOM 128 O TYR A 395 4.635 7.492 1.192 1.00 12.40 O ATOM 129 CB TYR A 395 2.088 7.558 3.001 1.00 33.01 C ATOM 130 CG TYR A 395 1.164 7.518 4.219 1.00 32.11 C ATOM 131 CD1 TYR A 395 1.673 7.757 5.479 1.00 54.42 C ATOM 132 CD2 TYR A 395 -0.180 7.246 4.057 1.00 31.44 C ATOM 133 CE1 TYR A 395 0.802 7.721 6.626 1.00 3.14 C ATOM 134 CE2 TYR A 395 -1.049 7.208 5.204 1.00 13.40 C ATOM 135 CZ TYR A 395 -0.515 7.447 6.431 1.00 3.41 C ATOM 136 OH TYR A 395 -1.338 7.413 7.515 1.00 15.02 O ATOM 0 HA TYR A 395 3.775 6.920 4.247 1.00 63.50 H new ATOM 0 HB2 TYR A 395 1.890 8.470 2.438 1.00 33.01 H new ATOM 0 HB3 TYR A 395 1.846 6.721 2.347 1.00 33.01 H new ATOM 0 HD1 TYR A 395 2.724 7.971 5.605 1.00 54.42 H new ATOM 0 HD2 TYR A 395 -0.579 7.062 3.070 1.00 31.44 H new ATOM 0 HE1 TYR A 395 1.187 7.907 7.618 1.00 3.14 H new ATOM 0 HE2 TYR A 395 -2.102 6.994 5.092 1.00 13.40 H new ATOM 0 HH TYR A 395 -2.251 7.207 7.226 1.00 15.02 H new ATOM 145 N ASN A 396 4.620 5.562 2.369 1.00 24.05 N ATOM 146 CA ASN A 396 5.335 4.806 1.355 1.00 34.42 C ATOM 147 C ASN A 396 4.342 3.952 0.565 1.00 54.13 C ATOM 148 O ASN A 396 4.622 3.549 -0.563 1.00 50.45 O ATOM 149 CB ASN A 396 6.365 3.870 1.989 1.00 14.41 C ATOM 150 CG ASN A 396 6.650 4.268 3.438 1.00 1.10 C ATOM 151 OD1 ASN A 396 6.766 5.434 3.777 1.00 41.34 O ATOM 152 ND2 ASN A 396 6.756 3.237 4.271 1.00 54.15 N ATOM 0 H ASN A 396 4.369 5.028 3.201 1.00 24.05 H new ATOM 0 HA ASN A 396 5.846 5.516 0.704 1.00 34.42 H new ATOM 0 HB2 ASN A 396 5.998 2.844 1.956 1.00 14.41 H new ATOM 0 HB3 ASN A 396 7.290 3.897 1.412 1.00 14.41 H new ATOM 0 HD21 ASN A 396 6.946 3.398 5.260 1.00 54.15 H new ATOM 0 HD22 ASN A 396 6.648 2.285 3.921 1.00 54.15 H new ATOM 158 N PHE A 397 3.201 3.699 1.189 1.00 65.13 N ATOM 159 CA PHE A 397 2.164 2.900 0.560 1.00 35.11 C ATOM 160 C PHE A 397 0.893 2.879 1.412 1.00 60.01 C ATOM 161 O PHE A 397 0.834 3.522 2.460 1.00 22.02 O ATOM 162 CB PHE A 397 2.708 1.474 0.443 1.00 71.12 C ATOM 163 CG PHE A 397 3.198 0.884 1.765 1.00 63.42 C ATOM 164 CD1 PHE A 397 2.315 0.639 2.769 1.00 4.24 C ATOM 165 CD2 PHE A 397 4.519 0.606 1.939 1.00 41.22 C ATOM 166 CE1 PHE A 397 2.771 0.091 3.999 1.00 1.13 C ATOM 167 CE2 PHE A 397 4.974 0.058 3.167 1.00 52.04 C ATOM 168 CZ PHE A 397 4.090 -0.187 4.171 1.00 31.32 C ATOM 0 H PHE A 397 2.972 4.034 2.125 1.00 65.13 H new ATOM 0 HA PHE A 397 1.910 3.321 -0.413 1.00 35.11 H new ATOM 0 HB2 PHE A 397 1.927 0.831 0.037 1.00 71.12 H new ATOM 0 HB3 PHE A 397 3.530 1.468 -0.273 1.00 71.12 H new ATOM 0 HD1 PHE A 397 1.267 0.861 2.632 1.00 4.24 H new ATOM 0 HD2 PHE A 397 5.221 0.802 1.142 1.00 41.22 H new ATOM 0 HE1 PHE A 397 2.069 -0.104 4.796 1.00 1.13 H new ATOM 0 HE2 PHE A 397 6.022 -0.164 3.304 1.00 52.04 H new ATOM 0 HZ PHE A 397 4.436 -0.603 5.106 1.00 31.32 H new ATOM 177 N VAL A 398 -0.091 2.135 0.931 1.00 44.31 N ATOM 178 CA VAL A 398 -1.357 2.022 1.636 1.00 73.01 C ATOM 179 C VAL A 398 -1.793 0.556 1.663 1.00 63.32 C ATOM 180 O VAL A 398 -2.441 0.079 0.734 1.00 71.50 O ATOM 181 CB VAL A 398 -2.397 2.942 0.994 1.00 72.02 C ATOM 182 CG1 VAL A 398 -3.792 2.317 1.053 1.00 1.32 C ATOM 183 CG2 VAL A 398 -2.388 4.324 1.651 1.00 70.34 C ATOM 0 H VAL A 398 -0.038 1.604 0.062 1.00 44.31 H new ATOM 0 HA VAL A 398 -1.248 2.348 2.670 1.00 73.01 H new ATOM 0 HB VAL A 398 -2.130 3.068 -0.055 1.00 72.02 H new ATOM 0 HG11 VAL A 398 -4.513 2.991 0.590 1.00 1.32 H new ATOM 0 HG12 VAL A 398 -3.788 1.367 0.518 1.00 1.32 H new ATOM 0 HG13 VAL A 398 -4.071 2.147 2.093 1.00 1.32 H new ATOM 0 HG21 VAL A 398 -3.137 4.958 1.176 1.00 70.34 H new ATOM 0 HG22 VAL A 398 -2.618 4.224 2.712 1.00 70.34 H new ATOM 0 HG23 VAL A 398 -1.403 4.776 1.534 1.00 70.34 H new ATOM 193 N ILE A 399 -1.417 -0.119 2.740 1.00 42.32 N ATOM 194 CA ILE A 399 -1.761 -1.522 2.902 1.00 14.30 C ATOM 195 C ILE A 399 -3.269 -1.652 3.124 1.00 44.13 C ATOM 196 O ILE A 399 -3.751 -1.479 4.243 1.00 1.43 O ATOM 197 CB ILE A 399 -0.919 -2.156 4.011 1.00 41.33 C ATOM 198 CG1 ILE A 399 0.573 -2.091 3.673 1.00 1.52 C ATOM 199 CG2 ILE A 399 -1.379 -3.586 4.300 1.00 22.13 C ATOM 200 CD1 ILE A 399 1.423 -2.548 4.858 1.00 21.24 C ATOM 0 H ILE A 399 -0.878 0.279 3.509 1.00 42.32 H new ATOM 0 HA ILE A 399 -1.523 -2.079 1.995 1.00 14.30 H new ATOM 0 HB ILE A 399 -1.068 -1.579 4.924 1.00 41.33 H new ATOM 0 HG12 ILE A 399 0.781 -2.720 2.807 1.00 1.52 H new ATOM 0 HG13 ILE A 399 0.843 -1.071 3.399 1.00 1.52 H new ATOM 0 HG21 ILE A 399 -0.764 -4.013 5.092 1.00 22.13 H new ATOM 0 HG22 ILE A 399 -2.422 -3.576 4.616 1.00 22.13 H new ATOM 0 HG23 ILE A 399 -1.279 -4.190 3.398 1.00 22.13 H new ATOM 0 HD11 ILE A 399 2.478 -2.492 4.592 1.00 21.24 H new ATOM 0 HD12 ILE A 399 1.230 -1.902 5.715 1.00 21.24 H new ATOM 0 HD13 ILE A 399 1.167 -3.576 5.114 1.00 21.24 H new ATOM 211 N LEU A 400 -3.972 -1.954 2.042 1.00 71.55 N ATOM 212 CA LEU A 400 -5.414 -2.108 2.105 1.00 60.34 C ATOM 213 C LEU A 400 -5.751 -3.500 2.642 1.00 24.25 C ATOM 214 O LEU A 400 -5.800 -4.466 1.883 1.00 20.45 O ATOM 215 CB LEU A 400 -6.046 -1.804 0.746 1.00 73.52 C ATOM 216 CG LEU A 400 -6.411 -0.340 0.488 1.00 55.03 C ATOM 217 CD1 LEU A 400 -6.403 -0.028 -1.010 1.00 24.30 C ATOM 218 CD2 LEU A 400 -7.749 0.013 1.139 1.00 51.15 C ATOM 0 H LEU A 400 -3.568 -2.096 1.116 1.00 71.55 H new ATOM 0 HA LEU A 400 -5.844 -1.385 2.799 1.00 60.34 H new ATOM 0 HB2 LEU A 400 -5.357 -2.129 -0.034 1.00 73.52 H new ATOM 0 HB3 LEU A 400 -6.949 -2.406 0.645 1.00 73.52 H new ATOM 0 HG LEU A 400 -5.651 0.288 0.951 1.00 55.03 H new ATOM 0 HD11 LEU A 400 -6.666 1.018 -1.165 1.00 24.30 H new ATOM 0 HD12 LEU A 400 -5.409 -0.217 -1.416 1.00 24.30 H new ATOM 0 HD13 LEU A 400 -7.129 -0.663 -1.518 1.00 24.30 H new ATOM 0 HD21 LEU A 400 -7.985 1.058 0.941 1.00 51.15 H new ATOM 0 HD22 LEU A 400 -8.533 -0.621 0.726 1.00 51.15 H new ATOM 0 HD23 LEU A 400 -7.683 -0.147 2.215 1.00 51.15 H new ATOM 229 N HIS A 401 -5.975 -3.559 3.946 1.00 65.23 N ATOM 230 CA HIS A 401 -6.305 -4.818 4.594 1.00 71.22 C ATOM 231 C HIS A 401 -7.643 -4.683 5.325 1.00 70.40 C ATOM 232 O HIS A 401 -8.202 -3.590 5.406 1.00 24.41 O ATOM 233 CB HIS A 401 -5.170 -5.269 5.514 1.00 24.33 C ATOM 234 CG HIS A 401 -5.111 -4.528 6.828 1.00 54.52 C ATOM 235 ND1 HIS A 401 -5.830 -4.921 7.944 1.00 32.25 N ATOM 236 CD2 HIS A 401 -4.414 -3.415 7.193 1.00 13.11 C ATOM 237 CE1 HIS A 401 -5.570 -4.076 8.928 1.00 60.43 C ATOM 238 NE2 HIS A 401 -4.691 -3.141 8.462 1.00 34.23 N ATOM 0 H HIS A 401 -5.935 -2.755 4.572 1.00 65.23 H new ATOM 0 HA HIS A 401 -6.418 -5.600 3.843 1.00 71.22 H new ATOM 0 HB2 HIS A 401 -5.281 -6.335 5.715 1.00 24.33 H new ATOM 0 HB3 HIS A 401 -4.221 -5.140 4.993 1.00 24.33 H new ATOM 0 HD2 HIS A 401 -3.748 -2.851 6.557 1.00 13.11 H new ATOM 0 HE1 HIS A 401 -5.981 -4.118 9.926 1.00 60.43 H new ATOM 0 HE2 HIS A 401 -4.311 -2.362 8.999 1.00 34.23 H new ATOM 246 N ALA A 402 -8.117 -5.809 5.835 1.00 10.51 N ATOM 247 CA ALA A 402 -9.379 -5.831 6.557 1.00 30.34 C ATOM 248 C ALA A 402 -9.200 -5.138 7.908 1.00 24.02 C ATOM 249 O ALA A 402 -8.258 -4.371 8.096 1.00 23.44 O ATOM 250 CB ALA A 402 -9.859 -7.277 6.701 1.00 44.12 C ATOM 0 H ALA A 402 -7.651 -6.713 5.763 1.00 10.51 H new ATOM 0 HA ALA A 402 -10.146 -5.286 6.007 1.00 30.34 H new ATOM 0 HB1 ALA A 402 -10.805 -7.294 7.242 1.00 44.12 H new ATOM 0 HB2 ALA A 402 -9.999 -7.714 5.712 1.00 44.12 H new ATOM 0 HB3 ALA A 402 -9.116 -7.854 7.251 1.00 44.12 H new ATOM 256 N ARG A 403 -10.121 -5.434 8.814 1.00 70.33 N ATOM 257 CA ARG A 403 -10.078 -4.848 10.143 1.00 71.25 C ATOM 258 C ARG A 403 -9.453 -5.830 11.136 1.00 30.23 C ATOM 259 O ARG A 403 -9.071 -5.445 12.240 1.00 73.32 O ATOM 260 CB ARG A 403 -11.480 -4.469 10.625 1.00 32.01 C ATOM 261 CG ARG A 403 -11.410 -3.557 11.851 1.00 51.21 C ATOM 262 CD ARG A 403 -12.382 -4.024 12.938 1.00 35.42 C ATOM 263 NE ARG A 403 -12.166 -3.245 14.177 1.00 34.31 N ATOM 264 CZ ARG A 403 -13.039 -3.204 15.207 1.00 71.21 C ATOM 265 NH1 ARG A 403 -14.195 -3.898 15.152 1.00 55.21 N ATOM 266 NH2 ARG A 403 -12.746 -2.474 16.266 1.00 31.55 N ATOM 0 H ARG A 403 -10.901 -6.072 8.654 1.00 70.33 H new ATOM 0 HA ARG A 403 -9.470 -3.945 10.087 1.00 71.25 H new ATOM 0 HB2 ARG A 403 -12.020 -3.966 9.823 1.00 32.01 H new ATOM 0 HB3 ARG A 403 -12.041 -5.371 10.870 1.00 32.01 H new ATOM 0 HG2 ARG A 403 -10.394 -3.549 12.246 1.00 51.21 H new ATOM 0 HG3 ARG A 403 -11.647 -2.533 11.561 1.00 51.21 H new ATOM 0 HD2 ARG A 403 -13.410 -3.901 12.596 1.00 35.42 H new ATOM 0 HD3 ARG A 403 -12.236 -5.086 13.136 1.00 35.42 H new ATOM 0 HE ARG A 403 -11.304 -2.705 14.259 1.00 34.31 H new ATOM 0 HH11 ARG A 403 -14.415 -4.459 14.329 1.00 55.21 H new ATOM 0 HH12 ARG A 403 -14.849 -3.862 15.934 1.00 55.21 H new ATOM 0 HH21 ARG A 403 -11.871 -1.951 16.299 1.00 31.55 H new ATOM 0 HH22 ARG A 403 -13.395 -2.432 17.052 1.00 31.55 H new ATOM 276 N ALA A 404 -9.367 -7.081 10.708 1.00 2.34 N ATOM 277 CA ALA A 404 -8.795 -8.122 11.544 1.00 1.13 C ATOM 278 C ALA A 404 -7.419 -8.510 11.000 1.00 42.12 C ATOM 279 O ALA A 404 -6.884 -9.560 11.348 1.00 25.44 O ATOM 280 CB ALA A 404 -9.755 -9.313 11.606 1.00 61.12 C ATOM 0 H ALA A 404 -9.685 -7.397 9.792 1.00 2.34 H new ATOM 0 HA ALA A 404 -8.656 -7.762 12.563 1.00 1.13 H new ATOM 0 HB1 ALA A 404 -9.326 -10.094 12.233 1.00 61.12 H new ATOM 0 HB2 ALA A 404 -10.707 -8.991 12.028 1.00 61.12 H new ATOM 0 HB3 ALA A 404 -9.917 -9.703 10.601 1.00 61.12 H new ATOM 286 N ASP A 405 -6.887 -7.641 10.153 1.00 62.44 N ATOM 287 CA ASP A 405 -5.583 -7.879 9.558 1.00 72.23 C ATOM 288 C ASP A 405 -4.636 -6.739 9.938 1.00 42.41 C ATOM 289 O ASP A 405 -3.704 -6.427 9.199 1.00 1.04 O ATOM 290 CB ASP A 405 -5.676 -7.927 8.032 1.00 1.03 C ATOM 291 CG ASP A 405 -5.208 -9.238 7.397 1.00 51.22 C ATOM 292 OD1 ASP A 405 -4.143 -9.297 6.764 1.00 20.20 O ATOM 293 OD2 ASP A 405 -5.998 -10.243 7.575 1.00 72.34 O ATOM 0 H ASP A 405 -7.335 -6.771 9.865 1.00 62.44 H new ATOM 0 HA ASP A 405 -5.213 -8.835 9.928 1.00 72.23 H new ATOM 0 HB2 ASP A 405 -6.711 -7.749 7.740 1.00 1.03 H new ATOM 0 HB3 ASP A 405 -5.083 -7.110 7.621 1.00 1.03 H new ATOM 298 N GLU A 406 -4.910 -6.145 11.091 1.00 61.45 N ATOM 299 CA GLU A 406 -4.094 -5.045 11.578 1.00 12.31 C ATOM 300 C GLU A 406 -2.681 -5.534 11.899 1.00 3.43 C ATOM 301 O GLU A 406 -1.751 -5.305 11.128 1.00 2.05 O ATOM 302 CB GLU A 406 -4.737 -4.386 12.800 1.00 63.12 C ATOM 303 CG GLU A 406 -3.852 -3.262 13.346 1.00 10.54 C ATOM 304 CD GLU A 406 -4.663 -2.304 14.220 1.00 71.23 C ATOM 305 OE1 GLU A 406 -4.871 -2.576 15.412 1.00 24.41 O ATOM 306 OE2 GLU A 406 -5.080 -1.240 13.621 1.00 51.02 O ATOM 0 H GLU A 406 -5.685 -6.404 11.701 1.00 61.45 H new ATOM 0 HA GLU A 406 -4.027 -4.292 10.793 1.00 12.31 H new ATOM 0 HB2 GLU A 406 -5.714 -3.986 12.530 1.00 63.12 H new ATOM 0 HB3 GLU A 406 -4.902 -5.133 13.576 1.00 63.12 H new ATOM 0 HG2 GLU A 406 -3.034 -3.688 13.928 1.00 10.54 H new ATOM 0 HG3 GLU A 406 -3.402 -2.713 12.518 1.00 10.54 H new ATOM 312 N HIS A 407 -2.564 -6.199 13.040 1.00 44.40 N ATOM 313 CA HIS A 407 -1.279 -6.722 13.472 1.00 43.14 C ATOM 314 C HIS A 407 -0.521 -7.281 12.267 1.00 34.40 C ATOM 315 O HIS A 407 0.704 -7.191 12.203 1.00 63.01 O ATOM 316 CB HIS A 407 -1.460 -7.752 14.589 1.00 4.03 C ATOM 317 CG HIS A 407 -2.195 -9.001 14.160 1.00 60.33 C ATOM 318 ND1 HIS A 407 -3.288 -8.973 13.312 1.00 53.31 N ATOM 319 CD2 HIS A 407 -1.979 -10.312 14.469 1.00 50.42 C ATOM 320 CE1 HIS A 407 -3.705 -10.217 13.127 1.00 25.33 C ATOM 321 NE2 HIS A 407 -2.893 -11.045 13.846 1.00 12.31 N ATOM 0 H HIS A 407 -3.338 -6.387 13.678 1.00 44.40 H new ATOM 0 HA HIS A 407 -0.677 -5.917 13.893 1.00 43.14 H new ATOM 0 HB2 HIS A 407 -0.479 -8.033 14.972 1.00 4.03 H new ATOM 0 HB3 HIS A 407 -2.003 -7.288 15.413 1.00 4.03 H new ATOM 0 HD2 HIS A 407 -1.197 -10.689 15.111 1.00 50.42 H new ATOM 0 HE1 HIS A 407 -4.541 -10.522 12.515 1.00 25.33 H new ATOM 0 HE2 HIS A 407 -2.975 -12.060 13.896 1.00 12.31 H new ATOM 328 N ILE A 408 -1.280 -7.847 11.341 1.00 11.23 N ATOM 329 CA ILE A 408 -0.695 -8.421 10.142 1.00 15.34 C ATOM 330 C ILE A 408 0.067 -7.334 9.380 1.00 41.31 C ATOM 331 O ILE A 408 1.246 -7.499 9.071 1.00 11.13 O ATOM 332 CB ILE A 408 -1.768 -9.121 9.305 1.00 11.24 C ATOM 333 CG1 ILE A 408 -2.284 -10.376 10.011 1.00 62.32 C ATOM 334 CG2 ILE A 408 -1.252 -9.428 7.896 1.00 3.11 C ATOM 335 CD1 ILE A 408 -3.389 -11.050 9.196 1.00 74.23 C ATOM 0 H ILE A 408 -2.296 -7.920 11.397 1.00 11.23 H new ATOM 0 HA ILE A 408 0.028 -9.194 10.403 1.00 15.34 H new ATOM 0 HB ILE A 408 -2.613 -8.441 9.198 1.00 11.24 H new ATOM 0 HG12 ILE A 408 -1.462 -11.075 10.164 1.00 62.32 H new ATOM 0 HG13 ILE A 408 -2.665 -10.112 10.998 1.00 62.32 H new ATOM 0 HG21 ILE A 408 -2.034 -9.925 7.322 1.00 3.11 H new ATOM 0 HG22 ILE A 408 -0.974 -8.498 7.400 1.00 3.11 H new ATOM 0 HG23 ILE A 408 -0.380 -10.079 7.962 1.00 3.11 H new ATOM 0 HD11 ILE A 408 -3.737 -11.939 9.721 1.00 74.23 H new ATOM 0 HD12 ILE A 408 -4.220 -10.356 9.066 1.00 74.23 H new ATOM 0 HD13 ILE A 408 -2.998 -11.335 8.219 1.00 74.23 H new ATOM 346 N ALA A 409 -0.638 -6.248 9.102 1.00 53.15 N ATOM 347 CA ALA A 409 -0.042 -5.134 8.383 1.00 43.13 C ATOM 348 C ALA A 409 1.027 -4.480 9.261 1.00 54.53 C ATOM 349 O ALA A 409 2.164 -4.298 8.828 1.00 30.04 O ATOM 350 CB ALA A 409 -1.138 -4.150 7.970 1.00 15.11 C ATOM 0 H ALA A 409 -1.616 -6.115 9.361 1.00 53.15 H new ATOM 0 HA ALA A 409 0.446 -5.481 7.472 1.00 43.13 H new ATOM 0 HB1 ALA A 409 -0.692 -3.314 7.431 1.00 15.11 H new ATOM 0 HB2 ALA A 409 -1.857 -4.656 7.325 1.00 15.11 H new ATOM 0 HB3 ALA A 409 -1.647 -3.778 8.859 1.00 15.11 H new ATOM 356 N LEU A 410 0.625 -4.143 10.478 1.00 33.24 N ATOM 357 CA LEU A 410 1.535 -3.513 11.419 1.00 3.51 C ATOM 358 C LEU A 410 2.852 -4.292 11.448 1.00 1.20 C ATOM 359 O LEU A 410 3.897 -3.740 11.788 1.00 44.23 O ATOM 360 CB LEU A 410 0.873 -3.372 12.792 1.00 10.42 C ATOM 361 CG LEU A 410 -0.430 -2.571 12.828 1.00 10.35 C ATOM 362 CD1 LEU A 410 -0.575 -1.822 14.154 1.00 53.40 C ATOM 363 CD2 LEU A 410 -0.530 -1.632 11.624 1.00 5.55 C ATOM 0 H LEU A 410 -0.319 -4.295 10.834 1.00 33.24 H new ATOM 0 HA LEU A 410 1.772 -2.498 11.099 1.00 3.51 H new ATOM 0 HB2 LEU A 410 0.674 -4.370 13.182 1.00 10.42 H new ATOM 0 HB3 LEU A 410 1.585 -2.901 13.470 1.00 10.42 H new ATOM 0 HG LEU A 410 -1.264 -3.270 12.760 1.00 10.35 H new ATOM 0 HD11 LEU A 410 -1.509 -1.260 14.154 1.00 53.40 H new ATOM 0 HD12 LEU A 410 -0.581 -2.537 14.977 1.00 53.40 H new ATOM 0 HD13 LEU A 410 0.262 -1.134 14.277 1.00 53.40 H new ATOM 0 HD21 LEU A 410 -1.465 -1.075 11.674 1.00 5.55 H new ATOM 0 HD22 LEU A 410 0.308 -0.936 11.635 1.00 5.55 H new ATOM 0 HD23 LEU A 410 -0.504 -2.216 10.704 1.00 5.55 H new ATOM 374 N ARG A 411 2.758 -5.564 11.088 1.00 11.40 N ATOM 375 CA ARG A 411 3.928 -6.426 11.069 1.00 63.34 C ATOM 376 C ARG A 411 4.769 -6.150 9.821 1.00 41.34 C ATOM 377 O ARG A 411 5.997 -6.155 9.883 1.00 22.23 O ATOM 378 CB ARG A 411 3.526 -7.901 11.091 1.00 71.33 C ATOM 379 CG ARG A 411 4.696 -8.781 11.534 1.00 34.42 C ATOM 380 CD ARG A 411 4.680 -10.125 10.802 1.00 43.34 C ATOM 381 NE ARG A 411 3.666 -11.017 11.405 1.00 51.40 N ATOM 382 CZ ARG A 411 3.751 -11.528 12.651 1.00 23.03 C ATOM 383 NH1 ARG A 411 4.809 -11.240 13.439 1.00 15.31 N ATOM 384 NH2 ARG A 411 2.785 -12.316 13.089 1.00 74.34 N ATOM 0 H ARG A 411 1.889 -6.019 10.807 1.00 11.40 H new ATOM 0 HA ARG A 411 4.515 -6.209 11.962 1.00 63.34 H new ATOM 0 HB2 ARG A 411 2.683 -8.042 11.768 1.00 71.33 H new ATOM 0 HB3 ARG A 411 3.192 -8.206 10.099 1.00 71.33 H new ATOM 0 HG2 ARG A 411 5.637 -8.267 11.337 1.00 34.42 H new ATOM 0 HG3 ARG A 411 4.643 -8.948 12.610 1.00 34.42 H new ATOM 0 HD2 ARG A 411 4.459 -9.971 9.746 1.00 43.34 H new ATOM 0 HD3 ARG A 411 5.664 -10.590 10.857 1.00 43.34 H new ATOM 0 HE ARG A 411 2.850 -11.261 10.843 1.00 51.40 H new ATOM 0 HH11 ARG A 411 5.552 -10.632 13.094 1.00 15.31 H new ATOM 0 HH12 ARG A 411 4.866 -11.630 14.380 1.00 15.31 H new ATOM 0 HH21 ARG A 411 1.990 -12.530 12.488 1.00 74.34 H new ATOM 0 HH22 ARG A 411 2.835 -12.710 14.028 1.00 74.34 H new ATOM 394 N VAL A 412 4.073 -5.917 8.717 1.00 64.34 N ATOM 395 CA VAL A 412 4.740 -5.640 7.458 1.00 14.12 C ATOM 396 C VAL A 412 5.436 -4.280 7.541 1.00 72.41 C ATOM 397 O VAL A 412 6.636 -4.177 7.293 1.00 72.11 O ATOM 398 CB VAL A 412 3.739 -5.729 6.305 1.00 54.04 C ATOM 399 CG1 VAL A 412 4.205 -4.898 5.108 1.00 32.35 C ATOM 400 CG2 VAL A 412 3.495 -7.184 5.900 1.00 61.12 C ATOM 0 H VAL A 412 3.054 -5.915 8.670 1.00 64.34 H new ATOM 0 HA VAL A 412 5.509 -6.387 7.262 1.00 14.12 H new ATOM 0 HB VAL A 412 2.792 -5.315 6.652 1.00 54.04 H new ATOM 0 HG11 VAL A 412 3.475 -4.979 4.303 1.00 32.35 H new ATOM 0 HG12 VAL A 412 4.302 -3.854 5.406 1.00 32.35 H new ATOM 0 HG13 VAL A 412 5.170 -5.268 4.762 1.00 32.35 H new ATOM 0 HG21 VAL A 412 2.779 -7.218 5.078 1.00 61.12 H new ATOM 0 HG22 VAL A 412 4.435 -7.636 5.582 1.00 61.12 H new ATOM 0 HG23 VAL A 412 3.097 -7.737 6.751 1.00 61.12 H new ATOM 410 N ARG A 413 4.652 -3.270 7.890 1.00 23.33 N ATOM 411 CA ARG A 413 5.178 -1.921 8.011 1.00 35.14 C ATOM 412 C ARG A 413 6.593 -1.953 8.593 1.00 52.43 C ATOM 413 O ARG A 413 7.496 -1.299 8.075 1.00 61.31 O ATOM 414 CB ARG A 413 4.285 -1.059 8.903 1.00 73.12 C ATOM 415 CG ARG A 413 2.807 -1.273 8.568 1.00 41.44 C ATOM 416 CD ARG A 413 1.987 -0.020 8.883 1.00 74.10 C ATOM 417 NE ARG A 413 2.423 0.562 10.172 1.00 22.34 N ATOM 418 CZ ARG A 413 1.642 1.329 10.959 1.00 44.54 C ATOM 419 NH1 ARG A 413 0.374 1.616 10.595 1.00 1.51 N ATOM 420 NH2 ARG A 413 2.134 1.796 12.092 1.00 72.51 N ATOM 0 H ARG A 413 3.656 -3.359 8.093 1.00 23.33 H new ATOM 0 HA ARG A 413 5.203 -1.484 7.013 1.00 35.14 H new ATOM 0 HB2 ARG A 413 4.464 -1.305 9.950 1.00 73.12 H new ATOM 0 HB3 ARG A 413 4.542 -0.008 8.774 1.00 73.12 H new ATOM 0 HG2 ARG A 413 2.702 -1.525 7.513 1.00 41.44 H new ATOM 0 HG3 ARG A 413 2.420 -2.118 9.137 1.00 41.44 H new ATOM 0 HD2 ARG A 413 2.107 0.713 8.085 1.00 74.10 H new ATOM 0 HD3 ARG A 413 0.927 -0.271 8.928 1.00 74.10 H new ATOM 0 HE ARG A 413 3.375 0.371 10.485 1.00 22.34 H new ATOM 0 HH11 ARG A 413 0.000 1.252 9.719 1.00 1.51 H new ATOM 0 HH12 ARG A 413 -0.210 2.197 11.196 1.00 1.51 H new ATOM 0 HH21 ARG A 413 3.093 1.575 12.361 1.00 72.51 H new ATOM 0 HH22 ARG A 413 1.555 2.378 12.698 1.00 72.51 H new ATOM 430 N GLU A 414 6.740 -2.719 9.664 1.00 34.21 N ATOM 431 CA GLU A 414 8.028 -2.844 10.324 1.00 53.34 C ATOM 432 C GLU A 414 8.963 -3.731 9.499 1.00 43.12 C ATOM 433 O GLU A 414 10.108 -3.362 9.242 1.00 30.42 O ATOM 434 CB GLU A 414 7.867 -3.389 11.745 1.00 14.34 C ATOM 435 CG GLU A 414 7.451 -2.280 12.714 1.00 54.24 C ATOM 436 CD GLU A 414 8.670 -1.502 13.212 1.00 34.44 C ATOM 437 OE1 GLU A 414 8.558 -0.309 13.528 1.00 75.45 O ATOM 438 OE2 GLU A 414 9.765 -2.182 13.266 1.00 71.11 O ATOM 0 H GLU A 414 5.988 -3.260 10.091 1.00 34.21 H new ATOM 0 HA GLU A 414 8.473 -1.852 10.400 1.00 53.34 H new ATOM 0 HB2 GLU A 414 7.119 -4.182 11.752 1.00 14.34 H new ATOM 0 HB3 GLU A 414 8.806 -3.833 12.076 1.00 14.34 H new ATOM 0 HG2 GLU A 414 6.759 -1.600 12.218 1.00 54.24 H new ATOM 0 HG3 GLU A 414 6.920 -2.713 13.562 1.00 54.24 H new ATOM 444 N LYS A 415 8.440 -4.885 9.108 1.00 51.03 N ATOM 445 CA LYS A 415 9.214 -5.828 8.318 1.00 2.43 C ATOM 446 C LYS A 415 9.832 -5.098 7.124 1.00 63.22 C ATOM 447 O LYS A 415 10.853 -5.530 6.589 1.00 45.43 O ATOM 448 CB LYS A 415 8.353 -7.031 7.926 1.00 51.53 C ATOM 449 CG LYS A 415 8.979 -8.336 8.421 1.00 4.40 C ATOM 450 CD LYS A 415 9.009 -9.386 7.309 1.00 1.54 C ATOM 451 CE LYS A 415 10.363 -9.392 6.598 1.00 43.24 C ATOM 452 NZ LYS A 415 10.832 -10.780 6.385 1.00 41.43 N ATOM 0 H LYS A 415 7.490 -5.188 9.324 1.00 51.03 H new ATOM 0 HA LYS A 415 10.038 -6.233 8.906 1.00 2.43 H new ATOM 0 HB2 LYS A 415 7.354 -6.920 8.347 1.00 51.53 H new ATOM 0 HB3 LYS A 415 8.241 -7.065 6.842 1.00 51.53 H new ATOM 0 HG2 LYS A 415 9.993 -8.146 8.774 1.00 4.40 H new ATOM 0 HG3 LYS A 415 8.411 -8.717 9.270 1.00 4.40 H new ATOM 0 HD2 LYS A 415 8.810 -10.372 7.729 1.00 1.54 H new ATOM 0 HD3 LYS A 415 8.217 -9.181 6.589 1.00 1.54 H new ATOM 0 HE2 LYS A 415 10.279 -8.879 5.640 1.00 43.24 H new ATOM 0 HE3 LYS A 415 11.094 -8.842 7.191 1.00 43.24 H new ATOM 0 HZ1 LYS A 415 11.752 -10.765 5.901 1.00 41.43 H new ATOM 0 HZ2 LYS A 415 10.931 -11.258 7.303 1.00 41.43 H new ATOM 0 HZ3 LYS A 415 10.142 -11.294 5.800 1.00 41.43 H new ATOM 461 N LEU A 416 9.189 -4.005 6.740 1.00 5.54 N ATOM 462 CA LEU A 416 9.663 -3.212 5.619 1.00 72.02 C ATOM 463 C LEU A 416 10.881 -2.397 6.056 1.00 33.24 C ATOM 464 O LEU A 416 11.808 -2.189 5.273 1.00 13.50 O ATOM 465 CB LEU A 416 8.528 -2.363 5.046 1.00 14.22 C ATOM 466 CG LEU A 416 7.326 -3.132 4.493 1.00 45.54 C ATOM 467 CD1 LEU A 416 6.060 -2.272 4.530 1.00 23.34 C ATOM 468 CD2 LEU A 416 7.615 -3.667 3.090 1.00 63.02 C ATOM 0 H LEU A 416 8.343 -3.650 7.186 1.00 5.54 H new ATOM 0 HA LEU A 416 9.988 -3.859 4.804 1.00 72.02 H new ATOM 0 HB2 LEU A 416 8.175 -1.690 5.827 1.00 14.22 H new ATOM 0 HB3 LEU A 416 8.934 -1.741 4.248 1.00 14.22 H new ATOM 0 HG LEU A 416 7.148 -3.994 5.135 1.00 45.54 H new ATOM 0 HD11 LEU A 416 5.221 -2.842 4.132 1.00 23.34 H new ATOM 0 HD12 LEU A 416 5.846 -1.983 5.559 1.00 23.34 H new ATOM 0 HD13 LEU A 416 6.210 -1.377 3.926 1.00 23.34 H new ATOM 0 HD21 LEU A 416 6.744 -4.209 2.721 1.00 63.02 H new ATOM 0 HD22 LEU A 416 7.834 -2.835 2.421 1.00 63.02 H new ATOM 0 HD23 LEU A 416 8.472 -4.339 3.126 1.00 63.02 H new ATOM 479 N GLU A 417 10.843 -1.958 7.305 1.00 52.20 N ATOM 480 CA GLU A 417 11.932 -1.170 7.855 1.00 21.10 C ATOM 481 C GLU A 417 13.199 -2.020 7.967 1.00 75.31 C ATOM 482 O GLU A 417 14.275 -1.503 8.263 1.00 61.42 O ATOM 483 CB GLU A 417 11.550 -0.578 9.214 1.00 15.22 C ATOM 484 CG GLU A 417 10.258 0.236 9.111 1.00 64.13 C ATOM 485 CD GLU A 417 10.429 1.617 9.749 1.00 33.31 C ATOM 486 OE1 GLU A 417 9.837 2.596 9.273 1.00 15.54 O ATOM 487 OE2 GLU A 417 11.207 1.651 10.776 1.00 62.13 O ATOM 0 H GLU A 417 10.074 -2.133 7.952 1.00 52.20 H new ATOM 0 HA GLU A 417 12.131 -0.341 7.176 1.00 21.10 H new ATOM 0 HB2 GLU A 417 11.423 -1.380 9.942 1.00 15.22 H new ATOM 0 HB3 GLU A 417 12.357 0.058 9.578 1.00 15.22 H new ATOM 0 HG2 GLU A 417 9.976 0.347 8.064 1.00 64.13 H new ATOM 0 HG3 GLU A 417 9.446 -0.299 9.604 1.00 64.13 H new ATOM 493 N ALA A 418 13.031 -3.311 7.722 1.00 13.32 N ATOM 494 CA ALA A 418 14.147 -4.239 7.790 1.00 15.21 C ATOM 495 C ALA A 418 14.780 -4.372 6.403 1.00 42.22 C ATOM 496 O ALA A 418 15.812 -5.023 6.248 1.00 53.30 O ATOM 497 CB ALA A 418 13.662 -5.581 8.341 1.00 24.35 C ATOM 0 H ALA A 418 12.137 -3.737 7.476 1.00 13.32 H new ATOM 0 HA ALA A 418 14.915 -3.867 8.468 1.00 15.21 H new ATOM 0 HB1 ALA A 418 14.499 -6.277 8.392 1.00 24.35 H new ATOM 0 HB2 ALA A 418 13.249 -5.437 9.339 1.00 24.35 H new ATOM 0 HB3 ALA A 418 12.892 -5.987 7.685 1.00 24.35 H new ATOM 503 N LEU A 419 14.134 -3.744 5.431 1.00 21.53 N ATOM 504 CA LEU A 419 14.620 -3.785 4.061 1.00 21.31 C ATOM 505 C LEU A 419 14.968 -2.367 3.607 1.00 61.22 C ATOM 506 O LEU A 419 16.016 -2.144 3.004 1.00 74.12 O ATOM 507 CB LEU A 419 13.610 -4.491 3.155 1.00 61.43 C ATOM 508 CG LEU A 419 13.015 -5.791 3.699 1.00 12.54 C ATOM 509 CD1 LEU A 419 11.656 -6.081 3.059 1.00 3.53 C ATOM 510 CD2 LEU A 419 13.991 -6.957 3.524 1.00 32.20 C ATOM 0 H LEU A 419 13.279 -3.204 5.564 1.00 21.53 H new ATOM 0 HA LEU A 419 15.535 -4.374 3.998 1.00 21.31 H new ATOM 0 HB2 LEU A 419 12.793 -3.800 2.947 1.00 61.43 H new ATOM 0 HB3 LEU A 419 14.095 -4.707 2.203 1.00 61.43 H new ATOM 0 HG LEU A 419 12.848 -5.669 4.769 1.00 12.54 H new ATOM 0 HD11 LEU A 419 11.255 -7.010 3.463 1.00 3.53 H new ATOM 0 HD12 LEU A 419 10.969 -5.264 3.278 1.00 3.53 H new ATOM 0 HD13 LEU A 419 11.775 -6.176 1.980 1.00 3.53 H new ATOM 0 HD21 LEU A 419 13.543 -7.869 3.919 1.00 32.20 H new ATOM 0 HD22 LEU A 419 14.212 -7.091 2.465 1.00 32.20 H new ATOM 0 HD23 LEU A 419 14.914 -6.743 4.063 1.00 32.20 H new ATOM 521 N GLY A 420 14.069 -1.443 3.915 1.00 24.20 N ATOM 522 CA GLY A 420 14.268 -0.052 3.546 1.00 22.21 C ATOM 523 C GLY A 420 13.018 0.779 3.843 1.00 65.23 C ATOM 524 O GLY A 420 13.011 1.583 4.774 1.00 42.02 O ATOM 0 H GLY A 420 13.201 -1.631 4.416 1.00 24.20 H new ATOM 0 HA2 GLY A 420 15.118 0.355 4.094 1.00 22.21 H new ATOM 0 HA3 GLY A 420 14.510 0.015 2.485 1.00 22.21 H new ATOM 528 N VAL A 421 11.993 0.555 3.035 1.00 64.10 N ATOM 529 CA VAL A 421 10.739 1.274 3.201 1.00 22.41 C ATOM 530 C VAL A 421 10.340 1.259 4.677 1.00 45.12 C ATOM 531 O VAL A 421 10.459 0.235 5.347 1.00 22.14 O ATOM 532 CB VAL A 421 9.670 0.674 2.286 1.00 45.31 C ATOM 533 CG1 VAL A 421 9.794 -0.849 2.220 1.00 25.10 C ATOM 534 CG2 VAL A 421 8.268 1.092 2.736 1.00 42.43 C ATOM 0 H VAL A 421 12.004 -0.113 2.264 1.00 64.10 H new ATOM 0 HA VAL A 421 10.853 2.317 2.906 1.00 22.41 H new ATOM 0 HB VAL A 421 9.831 1.065 1.281 1.00 45.31 H new ATOM 0 HG11 VAL A 421 9.022 -1.249 1.563 1.00 25.10 H new ATOM 0 HG12 VAL A 421 10.776 -1.118 1.831 1.00 25.10 H new ATOM 0 HG13 VAL A 421 9.672 -1.268 3.219 1.00 25.10 H new ATOM 0 HG21 VAL A 421 7.526 0.653 2.069 1.00 42.43 H new ATOM 0 HG22 VAL A 421 8.093 0.743 3.754 1.00 42.43 H new ATOM 0 HG23 VAL A 421 8.185 2.178 2.706 1.00 42.43 H new ATOM 544 N PRO A 422 9.862 2.440 5.155 1.00 32.04 N ATOM 545 CA PRO A 422 9.443 2.572 6.540 1.00 71.43 C ATOM 546 C PRO A 422 8.094 1.892 6.773 1.00 30.02 C ATOM 547 O PRO A 422 7.636 1.111 5.939 1.00 71.33 O ATOM 548 CB PRO A 422 9.406 4.070 6.797 1.00 14.44 C ATOM 549 CG PRO A 422 9.351 4.727 5.427 1.00 1.00 C ATOM 550 CD PRO A 422 9.706 3.674 4.391 1.00 2.22 C ATOM 0 HA PRO A 422 10.123 2.078 7.234 1.00 71.43 H new ATOM 0 HB2 PRO A 422 8.537 4.342 7.396 1.00 14.44 H new ATOM 0 HB3 PRO A 422 10.288 4.393 7.350 1.00 14.44 H new ATOM 0 HG2 PRO A 422 8.356 5.130 5.236 1.00 1.00 H new ATOM 0 HG3 PRO A 422 10.049 5.563 5.376 1.00 1.00 H new ATOM 0 HD2 PRO A 422 8.922 3.578 3.639 1.00 2.22 H new ATOM 0 HD3 PRO A 422 10.624 3.932 3.863 1.00 2.22 H new ATOM 555 N ASP A 423 7.494 2.211 7.911 1.00 55.40 N ATOM 556 CA ASP A 423 6.206 1.641 8.264 1.00 11.24 C ATOM 557 C ASP A 423 5.234 1.823 7.095 1.00 4.41 C ATOM 558 O ASP A 423 4.551 0.880 6.699 1.00 42.12 O ATOM 559 CB ASP A 423 5.611 2.338 9.488 1.00 63.43 C ATOM 560 CG ASP A 423 5.675 3.866 9.456 1.00 61.32 C ATOM 561 OD1 ASP A 423 6.661 4.454 8.985 1.00 64.03 O ATOM 562 OD2 ASP A 423 4.644 4.466 9.948 1.00 75.41 O ATOM 0 H ASP A 423 7.877 2.858 8.601 1.00 55.40 H new ATOM 0 HA ASP A 423 6.355 0.585 8.489 1.00 11.24 H new ATOM 0 HB2 ASP A 423 4.569 2.035 9.589 1.00 63.43 H new ATOM 0 HB3 ASP A 423 6.133 1.986 10.378 1.00 63.43 H new ATOM 567 N GLY A 424 5.204 3.042 6.579 1.00 41.10 N ATOM 568 CA GLY A 424 4.327 3.361 5.465 1.00 12.02 C ATOM 569 C GLY A 424 2.936 3.760 5.959 1.00 54.10 C ATOM 570 O GLY A 424 2.731 4.886 6.407 1.00 72.34 O ATOM 0 H GLY A 424 5.773 3.821 6.911 1.00 41.10 H new ATOM 0 HA2 GLY A 424 4.757 4.175 4.881 1.00 12.02 H new ATOM 0 HA3 GLY A 424 4.248 2.500 4.802 1.00 12.02 H new ATOM 574 N ALA A 425 2.014 2.813 5.859 1.00 43.32 N ATOM 575 CA ALA A 425 0.646 3.052 6.290 1.00 64.14 C ATOM 576 C ALA A 425 -0.243 1.903 5.811 1.00 63.12 C ATOM 577 O ALA A 425 0.209 1.032 5.068 1.00 55.51 O ATOM 578 CB ALA A 425 0.176 4.411 5.768 1.00 31.13 C ATOM 0 H ALA A 425 2.187 1.879 5.486 1.00 43.32 H new ATOM 0 HA ALA A 425 0.586 3.083 7.378 1.00 64.14 H new ATOM 0 HB1 ALA A 425 -0.849 4.590 6.091 1.00 31.13 H new ATOM 0 HB2 ALA A 425 0.823 5.195 6.161 1.00 31.13 H new ATOM 0 HB3 ALA A 425 0.220 4.417 4.679 1.00 31.13 H new ATOM 584 N THR A 426 -1.490 1.938 6.255 1.00 2.04 N ATOM 585 CA THR A 426 -2.447 0.910 5.880 1.00 23.10 C ATOM 586 C THR A 426 -3.867 1.478 5.880 1.00 43.04 C ATOM 587 O THR A 426 -4.348 1.960 6.905 1.00 63.22 O ATOM 588 CB THR A 426 -2.267 -0.274 6.834 1.00 73.41 C ATOM 589 OG1 THR A 426 -2.983 0.110 8.004 1.00 54.22 O ATOM 590 CG2 THR A 426 -0.822 -0.424 7.314 1.00 21.51 C ATOM 0 H THR A 426 -1.861 2.662 6.871 1.00 2.04 H new ATOM 0 HA THR A 426 -2.271 0.558 4.864 1.00 23.10 H new ATOM 0 HB THR A 426 -2.582 -1.191 6.337 1.00 73.41 H new ATOM 0 HG1 THR A 426 -3.325 1.022 7.894 1.00 54.22 H new ATOM 0 HG21 THR A 426 -0.749 -1.278 7.988 1.00 21.51 H new ATOM 0 HG22 THR A 426 -0.168 -0.582 6.456 1.00 21.51 H new ATOM 0 HG23 THR A 426 -0.518 0.481 7.841 1.00 21.51 H new ATOM 598 N PHE A 427 -4.500 1.403 4.718 1.00 12.00 N ATOM 599 CA PHE A 427 -5.856 1.904 4.572 1.00 14.11 C ATOM 600 C PHE A 427 -6.879 0.786 4.779 1.00 43.40 C ATOM 601 O PHE A 427 -7.260 0.104 3.828 1.00 41.31 O ATOM 602 CB PHE A 427 -5.983 2.437 3.143 1.00 12.42 C ATOM 603 CG PHE A 427 -7.339 3.076 2.835 1.00 21.23 C ATOM 604 CD1 PHE A 427 -8.130 3.512 3.851 1.00 2.12 C ATOM 605 CD2 PHE A 427 -7.751 3.206 1.546 1.00 45.53 C ATOM 606 CE1 PHE A 427 -9.389 4.106 3.565 1.00 0.45 C ATOM 607 CE2 PHE A 427 -9.010 3.800 1.260 1.00 63.30 C ATOM 608 CZ PHE A 427 -9.803 4.237 2.276 1.00 44.01 C ATOM 0 H PHE A 427 -4.099 1.003 3.870 1.00 12.00 H new ATOM 0 HA PHE A 427 -6.049 2.678 5.315 1.00 14.11 H new ATOM 0 HB2 PHE A 427 -5.198 3.173 2.970 1.00 12.42 H new ATOM 0 HB3 PHE A 427 -5.812 1.618 2.444 1.00 12.42 H new ATOM 0 HD1 PHE A 427 -7.802 3.407 4.875 1.00 2.12 H new ATOM 0 HD2 PHE A 427 -7.122 2.858 0.740 1.00 45.53 H new ATOM 0 HE1 PHE A 427 -10.017 4.454 4.372 1.00 0.45 H new ATOM 0 HE2 PHE A 427 -9.338 3.905 0.236 1.00 63.30 H new ATOM 0 HZ PHE A 427 -10.760 4.687 2.059 1.00 44.01 H new ATOM 823 N GLN A 443 -6.807 8.715 -3.367 1.00 24.02 N ATOM 824 CA GLN A 443 -5.899 8.876 -4.489 1.00 22.53 C ATOM 825 C GLN A 443 -4.601 9.544 -4.029 1.00 12.13 C ATOM 826 O GLN A 443 -3.623 9.587 -4.776 1.00 54.11 O ATOM 827 CB GLN A 443 -6.556 9.675 -5.616 1.00 1.34 C ATOM 828 CG GLN A 443 -7.959 9.142 -5.919 1.00 35.52 C ATOM 829 CD GLN A 443 -8.567 9.857 -7.126 1.00 15.51 C ATOM 830 OE1 GLN A 443 -9.661 10.395 -7.077 1.00 42.22 O ATOM 831 NE2 GLN A 443 -7.800 9.832 -8.213 1.00 32.03 N ATOM 0 HA GLN A 443 -5.658 7.888 -4.881 1.00 22.53 H new ATOM 0 HB2 GLN A 443 -6.615 10.726 -5.335 1.00 1.34 H new ATOM 0 HB3 GLN A 443 -5.940 9.619 -6.513 1.00 1.34 H new ATOM 0 HG2 GLN A 443 -7.911 8.070 -6.113 1.00 35.52 H new ATOM 0 HG3 GLN A 443 -8.600 9.280 -5.049 1.00 35.52 H new ATOM 0 HE21 GLN A 443 -6.894 9.364 -8.187 1.00 32.03 H new ATOM 0 HE22 GLN A 443 -8.118 10.281 -9.072 1.00 32.03 H new ATOM 838 N ASP A 444 -4.633 10.047 -2.805 1.00 61.43 N ATOM 839 CA ASP A 444 -3.470 10.710 -2.238 1.00 24.31 C ATOM 840 C ASP A 444 -2.402 9.665 -1.912 1.00 43.13 C ATOM 841 O ASP A 444 -1.248 10.010 -1.659 1.00 33.22 O ATOM 842 CB ASP A 444 -3.831 11.439 -0.941 1.00 62.44 C ATOM 843 CG ASP A 444 -3.020 12.706 -0.666 1.00 72.05 C ATOM 844 OD1 ASP A 444 -2.019 12.679 0.065 1.00 43.45 O ATOM 845 OD2 ASP A 444 -3.460 13.773 -1.246 1.00 35.55 O ATOM 0 H ASP A 444 -5.445 10.009 -2.189 1.00 61.43 H new ATOM 0 HA ASP A 444 -3.103 11.432 -2.968 1.00 24.31 H new ATOM 0 HB2 ASP A 444 -4.888 11.702 -0.972 1.00 62.44 H new ATOM 0 HB3 ASP A 444 -3.697 10.751 -0.106 1.00 62.44 H new ATOM 850 N ALA A 445 -2.823 8.409 -1.926 1.00 75.45 N ATOM 851 CA ALA A 445 -1.916 7.312 -1.634 1.00 32.14 C ATOM 852 C ALA A 445 -1.217 6.877 -2.924 1.00 41.11 C ATOM 853 O ALA A 445 -0.253 6.114 -2.886 1.00 53.15 O ATOM 854 CB ALA A 445 -2.692 6.168 -0.978 1.00 51.34 C ATOM 0 H ALA A 445 -3.781 8.126 -2.135 1.00 75.45 H new ATOM 0 HA ALA A 445 -1.145 7.628 -0.931 1.00 32.14 H new ATOM 0 HB1 ALA A 445 -2.011 5.345 -0.759 1.00 51.34 H new ATOM 0 HB2 ALA A 445 -3.145 6.520 -0.051 1.00 51.34 H new ATOM 0 HB3 ALA A 445 -3.473 5.822 -1.656 1.00 51.34 H new ATOM 860 N ILE A 446 -1.732 7.382 -4.037 1.00 64.13 N ATOM 861 CA ILE A 446 -1.169 7.054 -5.336 1.00 0.24 C ATOM 862 C ILE A 446 -0.228 8.178 -5.777 1.00 22.32 C ATOM 863 O ILE A 446 0.646 7.965 -6.616 1.00 51.42 O ATOM 864 CB ILE A 446 -2.283 6.755 -6.341 1.00 73.15 C ATOM 865 CG1 ILE A 446 -2.726 5.294 -6.251 1.00 24.33 C ATOM 866 CG2 ILE A 446 -1.857 7.137 -7.761 1.00 1.41 C ATOM 867 CD1 ILE A 446 -3.783 4.974 -7.309 1.00 60.22 C ATOM 0 H ILE A 446 -2.532 8.015 -4.065 1.00 64.13 H new ATOM 0 HA ILE A 446 -0.573 6.144 -5.275 1.00 0.24 H new ATOM 0 HB ILE A 446 -3.146 7.370 -6.086 1.00 73.15 H new ATOM 0 HG12 ILE A 446 -1.864 4.640 -6.384 1.00 24.33 H new ATOM 0 HG13 ILE A 446 -3.128 5.093 -5.258 1.00 24.33 H new ATOM 0 HG21 ILE A 446 -2.667 6.914 -8.456 1.00 1.41 H new ATOM 0 HG22 ILE A 446 -1.629 8.202 -7.798 1.00 1.41 H new ATOM 0 HG23 ILE A 446 -0.971 6.567 -8.041 1.00 1.41 H new ATOM 0 HD11 ILE A 446 -4.080 3.929 -7.222 1.00 60.22 H new ATOM 0 HD12 ILE A 446 -4.654 5.612 -7.158 1.00 60.22 H new ATOM 0 HD13 ILE A 446 -3.370 5.153 -8.302 1.00 60.22 H new ATOM 878 N ASP A 447 -0.439 9.347 -5.190 1.00 71.12 N ATOM 879 CA ASP A 447 0.380 10.503 -5.512 1.00 55.21 C ATOM 880 C ASP A 447 1.377 10.748 -4.377 1.00 54.00 C ATOM 881 O ASP A 447 2.552 11.015 -4.626 1.00 65.31 O ATOM 882 CB ASP A 447 -0.478 11.760 -5.669 1.00 30.01 C ATOM 883 CG ASP A 447 0.282 13.012 -6.112 1.00 65.44 C ATOM 884 OD1 ASP A 447 -0.321 14.048 -6.425 1.00 20.11 O ATOM 885 OD2 ASP A 447 1.566 12.892 -6.127 1.00 2.52 O ATOM 0 H ASP A 447 -1.165 9.518 -4.494 1.00 71.12 H new ATOM 0 HA ASP A 447 0.896 10.300 -6.451 1.00 55.21 H new ATOM 0 HB2 ASP A 447 -1.265 11.556 -6.395 1.00 30.01 H new ATOM 0 HB3 ASP A 447 -0.968 11.968 -4.718 1.00 30.01 H new ATOM 890 N HIS A 448 0.870 10.651 -3.157 1.00 31.11 N ATOM 891 CA HIS A 448 1.700 10.859 -1.983 1.00 33.41 C ATOM 892 C HIS A 448 2.532 9.604 -1.712 1.00 14.13 C ATOM 893 O HIS A 448 3.758 9.668 -1.656 1.00 25.55 O ATOM 894 CB HIS A 448 0.849 11.276 -0.782 1.00 60.53 C ATOM 895 CG HIS A 448 1.574 12.155 0.208 1.00 75.23 C ATOM 896 ND1 HIS A 448 0.948 12.723 1.304 1.00 4.34 N ATOM 897 CD2 HIS A 448 2.876 12.560 0.255 1.00 4.31 C ATOM 898 CE1 HIS A 448 1.843 13.435 1.975 1.00 13.32 C ATOM 899 NE2 HIS A 448 3.036 13.333 1.322 1.00 63.05 N ATOM 0 H HIS A 448 -0.106 10.431 -2.956 1.00 31.11 H new ATOM 0 HA HIS A 448 2.394 11.680 -2.166 1.00 33.41 H new ATOM 0 HB2 HIS A 448 -0.035 11.803 -1.141 1.00 60.53 H new ATOM 0 HB3 HIS A 448 0.499 10.380 -0.269 1.00 60.53 H new ATOM 0 HD2 HIS A 448 3.646 12.296 -0.455 1.00 4.31 H new ATOM 0 HE1 HIS A 448 1.660 13.997 2.879 1.00 13.32 H new ATOM 0 HE2 HIS A 448 3.908 13.778 1.607 1.00 63.05 H new ATOM 906 N SER A 449 1.830 8.491 -1.555 1.00 12.02 N ATOM 907 CA SER A 449 2.488 7.222 -1.293 1.00 1.13 C ATOM 908 C SER A 449 3.219 6.743 -2.548 1.00 32.43 C ATOM 909 O SER A 449 2.832 7.082 -3.666 1.00 2.44 O ATOM 910 CB SER A 449 1.483 6.166 -0.828 1.00 51.51 C ATOM 911 OG SER A 449 1.826 5.627 0.445 1.00 60.03 O ATOM 0 H SER A 449 0.812 8.442 -1.604 1.00 12.02 H new ATOM 0 HA SER A 449 3.213 7.371 -0.493 1.00 1.13 H new ATOM 0 HB2 SER A 449 0.488 6.609 -0.778 1.00 51.51 H new ATOM 0 HB3 SER A 449 1.437 5.361 -1.562 1.00 51.51 H new ATOM 0 HG SER A 449 1.017 5.539 0.992 1.00 60.03 H new ATOM 916 N ALA A 450 4.264 5.960 -2.323 1.00 12.04 N ATOM 917 CA ALA A 450 5.053 5.429 -3.423 1.00 24.42 C ATOM 918 C ALA A 450 4.189 4.477 -4.253 1.00 24.31 C ATOM 919 O ALA A 450 3.832 4.787 -5.388 1.00 41.15 O ATOM 920 CB ALA A 450 6.306 4.747 -2.869 1.00 14.53 C ATOM 0 H ALA A 450 4.583 5.680 -1.395 1.00 12.04 H new ATOM 0 HA ALA A 450 5.383 6.232 -4.082 1.00 24.42 H new ATOM 0 HB1 ALA A 450 6.898 4.349 -3.693 1.00 14.53 H new ATOM 0 HB2 ALA A 450 6.900 5.473 -2.313 1.00 14.53 H new ATOM 0 HB3 ALA A 450 6.014 3.933 -2.205 1.00 14.53 H new ATOM 926 N PHE A 451 3.878 3.337 -3.653 1.00 21.54 N ATOM 927 CA PHE A 451 3.063 2.337 -4.323 1.00 40.43 C ATOM 928 C PHE A 451 1.985 1.791 -3.383 1.00 31.51 C ATOM 929 O PHE A 451 2.268 1.461 -2.233 1.00 63.35 O ATOM 930 CB PHE A 451 3.998 1.195 -4.727 1.00 72.15 C ATOM 931 CG PHE A 451 5.171 1.634 -5.606 1.00 1.24 C ATOM 932 CD1 PHE A 451 6.181 2.372 -5.074 1.00 25.43 C ATOM 933 CD2 PHE A 451 5.202 1.285 -6.921 1.00 45.44 C ATOM 934 CE1 PHE A 451 7.270 2.777 -5.891 1.00 63.34 C ATOM 935 CE2 PHE A 451 6.289 1.691 -7.737 1.00 62.52 C ATOM 936 CZ PHE A 451 7.301 2.428 -7.204 1.00 74.13 C ATOM 0 H PHE A 451 4.175 3.084 -2.711 1.00 21.54 H new ATOM 0 HA PHE A 451 2.565 2.779 -5.186 1.00 40.43 H new ATOM 0 HB2 PHE A 451 4.389 0.723 -3.826 1.00 72.15 H new ATOM 0 HB3 PHE A 451 3.422 0.438 -5.259 1.00 72.15 H new ATOM 0 HD1 PHE A 451 6.155 2.650 -4.031 1.00 25.43 H new ATOM 0 HD2 PHE A 451 4.399 0.699 -7.343 1.00 45.44 H new ATOM 0 HE1 PHE A 451 8.073 3.362 -5.469 1.00 63.34 H new ATOM 0 HE2 PHE A 451 6.313 1.415 -8.781 1.00 62.52 H new ATOM 0 HZ PHE A 451 8.129 2.736 -7.825 1.00 74.13 H new ATOM 945 N ILE A 452 0.773 1.711 -3.910 1.00 15.25 N ATOM 946 CA ILE A 452 -0.349 1.210 -3.134 1.00 40.41 C ATOM 947 C ILE A 452 -0.161 -0.287 -2.882 1.00 61.41 C ATOM 948 O ILE A 452 0.131 -1.044 -3.807 1.00 74.35 O ATOM 949 CB ILE A 452 -1.672 1.558 -3.818 1.00 33.03 C ATOM 950 CG1 ILE A 452 -1.739 3.047 -4.159 1.00 53.33 C ATOM 951 CG2 ILE A 452 -2.864 1.110 -2.969 1.00 23.14 C ATOM 952 CD1 ILE A 452 -1.947 3.889 -2.899 1.00 24.10 C ATOM 0 H ILE A 452 0.543 1.985 -4.865 1.00 15.25 H new ATOM 0 HA ILE A 452 -0.385 1.695 -2.159 1.00 40.41 H new ATOM 0 HB ILE A 452 -1.723 1.010 -4.759 1.00 33.03 H new ATOM 0 HG12 ILE A 452 -0.818 3.352 -4.656 1.00 53.33 H new ATOM 0 HG13 ILE A 452 -2.554 3.227 -4.860 1.00 53.33 H new ATOM 0 HG21 ILE A 452 -3.792 1.370 -3.479 1.00 23.14 H new ATOM 0 HG22 ILE A 452 -2.821 0.031 -2.822 1.00 23.14 H new ATOM 0 HG23 ILE A 452 -2.830 1.610 -2.001 1.00 23.14 H new ATOM 0 HD11 ILE A 452 -1.991 4.944 -3.170 1.00 24.10 H new ATOM 0 HD12 ILE A 452 -2.881 3.599 -2.417 1.00 24.10 H new ATOM 0 HD13 ILE A 452 -1.118 3.725 -2.211 1.00 24.10 H new ATOM 963 N ILE A 453 -0.336 -0.670 -1.626 1.00 12.52 N ATOM 964 CA ILE A 453 -0.190 -2.064 -1.241 1.00 33.14 C ATOM 965 C ILE A 453 -1.574 -2.666 -0.984 1.00 73.11 C ATOM 966 O ILE A 453 -2.345 -2.140 -0.183 1.00 21.32 O ATOM 967 CB ILE A 453 0.767 -2.194 -0.055 1.00 0.22 C ATOM 968 CG1 ILE A 453 2.199 -1.849 -0.466 1.00 75.03 C ATOM 969 CG2 ILE A 453 0.671 -3.585 0.576 1.00 54.13 C ATOM 970 CD1 ILE A 453 3.128 -1.829 0.749 1.00 62.22 C ATOM 0 H ILE A 453 -0.578 -0.039 -0.861 1.00 12.52 H new ATOM 0 HA ILE A 453 0.262 -2.638 -2.050 1.00 33.14 H new ATOM 0 HB ILE A 453 0.468 -1.473 0.706 1.00 0.22 H new ATOM 0 HG12 ILE A 453 2.559 -2.579 -1.191 1.00 75.03 H new ATOM 0 HG13 ILE A 453 2.216 -0.876 -0.957 1.00 75.03 H new ATOM 0 HG21 ILE A 453 1.361 -3.652 1.417 1.00 54.13 H new ATOM 0 HG22 ILE A 453 -0.347 -3.756 0.927 1.00 54.13 H new ATOM 0 HG23 ILE A 453 0.930 -4.340 -0.166 1.00 54.13 H new ATOM 0 HD11 ILE A 453 4.140 -1.581 0.429 1.00 62.22 H new ATOM 0 HD12 ILE A 453 2.779 -1.081 1.461 1.00 62.22 H new ATOM 0 HD13 ILE A 453 3.128 -2.810 1.224 1.00 62.22 H new ATOM 981 N LEU A 454 -1.846 -3.760 -1.681 1.00 11.31 N ATOM 982 CA LEU A 454 -3.124 -4.439 -1.539 1.00 50.34 C ATOM 983 C LEU A 454 -2.918 -5.743 -0.765 1.00 31.15 C ATOM 984 O LEU A 454 -2.642 -6.784 -1.359 1.00 22.01 O ATOM 985 CB LEU A 454 -3.784 -4.631 -2.906 1.00 23.41 C ATOM 986 CG LEU A 454 -4.031 -3.357 -3.717 1.00 25.20 C ATOM 987 CD1 LEU A 454 -4.253 -2.156 -2.795 1.00 64.33 C ATOM 988 CD2 LEU A 454 -2.896 -3.113 -4.714 1.00 41.03 C ATOM 0 H LEU A 454 -1.204 -4.193 -2.345 1.00 11.31 H new ATOM 0 HA LEU A 454 -3.818 -3.830 -0.960 1.00 50.34 H new ATOM 0 HB2 LEU A 454 -3.159 -5.299 -3.498 1.00 23.41 H new ATOM 0 HB3 LEU A 454 -4.739 -5.135 -2.759 1.00 23.41 H new ATOM 0 HG LEU A 454 -4.944 -3.492 -4.296 1.00 25.20 H new ATOM 0 HD11 LEU A 454 -4.426 -1.263 -3.396 1.00 64.33 H new ATOM 0 HD12 LEU A 454 -5.120 -2.340 -2.160 1.00 64.33 H new ATOM 0 HD13 LEU A 454 -3.371 -2.008 -2.171 1.00 64.33 H new ATOM 0 HD21 LEU A 454 -3.096 -2.202 -5.277 1.00 41.03 H new ATOM 0 HD22 LEU A 454 -1.955 -3.007 -4.175 1.00 41.03 H new ATOM 0 HD23 LEU A 454 -2.828 -3.957 -5.401 1.00 41.03 H new ATOM 999 N LEU A 455 -3.063 -5.644 0.547 1.00 22.25 N ATOM 1000 CA LEU A 455 -2.898 -6.804 1.409 1.00 70.14 C ATOM 1001 C LEU A 455 -3.959 -7.849 1.060 1.00 55.11 C ATOM 1002 O LEU A 455 -4.983 -7.947 1.734 1.00 33.24 O ATOM 1003 CB LEU A 455 -2.909 -6.383 2.880 1.00 33.44 C ATOM 1004 CG LEU A 455 -2.133 -7.288 3.841 1.00 30.31 C ATOM 1005 CD1 LEU A 455 -0.733 -7.588 3.301 1.00 3.11 C ATOM 1006 CD2 LEU A 455 -2.089 -6.685 5.246 1.00 34.20 C ATOM 0 H LEU A 455 -3.293 -4.779 1.036 1.00 22.25 H new ATOM 0 HA LEU A 455 -1.926 -7.269 1.241 1.00 70.14 H new ATOM 0 HB2 LEU A 455 -2.501 -5.375 2.952 1.00 33.44 H new ATOM 0 HB3 LEU A 455 -3.945 -6.333 3.216 1.00 33.44 H new ATOM 0 HG LEU A 455 -2.660 -8.239 3.916 1.00 30.31 H new ATOM 0 HD11 LEU A 455 -0.203 -8.232 4.002 1.00 3.11 H new ATOM 0 HD12 LEU A 455 -0.815 -8.090 2.337 1.00 3.11 H new ATOM 0 HD13 LEU A 455 -0.183 -6.655 3.178 1.00 3.11 H new ATOM 0 HD21 LEU A 455 -1.532 -7.347 5.909 1.00 34.20 H new ATOM 0 HD22 LEU A 455 -1.599 -5.712 5.209 1.00 34.20 H new ATOM 0 HD23 LEU A 455 -3.105 -6.565 5.622 1.00 34.20 H new ATOM 1017 N LEU A 456 -3.678 -8.601 0.006 1.00 0.40 N ATOM 1018 CA LEU A 456 -4.596 -9.635 -0.442 1.00 12.21 C ATOM 1019 C LEU A 456 -4.749 -10.687 0.660 1.00 74.35 C ATOM 1020 O LEU A 456 -3.969 -11.635 0.729 1.00 51.05 O ATOM 1021 CB LEU A 456 -4.142 -10.211 -1.784 1.00 11.13 C ATOM 1022 CG LEU A 456 -3.604 -9.202 -2.800 1.00 12.12 C ATOM 1023 CD1 LEU A 456 -3.385 -9.859 -4.165 1.00 4.34 C ATOM 1024 CD2 LEU A 456 -4.519 -7.979 -2.894 1.00 54.35 C ATOM 0 H LEU A 456 -2.828 -8.515 -0.551 1.00 0.40 H new ATOM 0 HA LEU A 456 -5.585 -9.214 -0.622 1.00 12.21 H new ATOM 0 HB2 LEU A 456 -3.367 -10.954 -1.594 1.00 11.13 H new ATOM 0 HB3 LEU A 456 -4.984 -10.737 -2.235 1.00 11.13 H new ATOM 0 HG LEU A 456 -2.632 -8.853 -2.452 1.00 12.12 H new ATOM 0 HD11 LEU A 456 -3.002 -9.119 -4.868 1.00 4.34 H new ATOM 0 HD12 LEU A 456 -2.665 -10.672 -4.066 1.00 4.34 H new ATOM 0 HD13 LEU A 456 -4.331 -10.255 -4.534 1.00 4.34 H new ATOM 0 HD21 LEU A 456 -4.114 -7.277 -3.623 1.00 54.35 H new ATOM 0 HD22 LEU A 456 -5.515 -8.293 -3.207 1.00 54.35 H new ATOM 0 HD23 LEU A 456 -4.580 -7.495 -1.919 1.00 54.35 H new ATOM 1035 N THR A 457 -5.759 -10.481 1.492 1.00 24.13 N ATOM 1036 CA THR A 457 -6.023 -11.401 2.587 1.00 44.14 C ATOM 1037 C THR A 457 -7.464 -11.912 2.517 1.00 71.14 C ATOM 1038 O THR A 457 -8.368 -11.180 2.120 1.00 31.33 O ATOM 1039 CB THR A 457 -5.697 -10.681 3.898 1.00 31.32 C ATOM 1040 OG1 THR A 457 -6.715 -9.691 4.013 1.00 13.23 O ATOM 1041 CG2 THR A 457 -4.400 -9.873 3.815 1.00 11.45 C ATOM 0 H THR A 457 -6.403 -9.693 1.431 1.00 24.13 H new ATOM 0 HA THR A 457 -5.392 -12.288 2.520 1.00 44.14 H new ATOM 0 HB THR A 457 -5.619 -11.411 4.703 1.00 31.32 H new ATOM 0 HG1 THR A 457 -6.581 -9.178 4.837 1.00 13.23 H new ATOM 0 HG21 THR A 457 -4.215 -9.382 4.771 1.00 11.45 H new ATOM 0 HG22 THR A 457 -3.570 -10.540 3.583 1.00 11.45 H new ATOM 0 HG23 THR A 457 -4.490 -9.120 3.032 1.00 11.45 H new ATOM 1049 N SER A 458 -7.631 -13.167 2.909 1.00 64.14 N ATOM 1050 CA SER A 458 -8.946 -13.785 2.897 1.00 32.02 C ATOM 1051 C SER A 458 -9.931 -12.938 3.705 1.00 2.24 C ATOM 1052 O SER A 458 -11.144 -13.076 3.554 1.00 65.32 O ATOM 1053 CB SER A 458 -8.890 -15.210 3.452 1.00 50.41 C ATOM 1054 OG SER A 458 -7.557 -15.711 3.503 1.00 2.13 O ATOM 0 H SER A 458 -6.878 -13.772 3.237 1.00 64.14 H new ATOM 0 HA SER A 458 -9.288 -13.840 1.864 1.00 32.02 H new ATOM 0 HB2 SER A 458 -9.322 -15.227 4.453 1.00 50.41 H new ATOM 0 HB3 SER A 458 -9.500 -15.865 2.830 1.00 50.41 H new ATOM 0 HG SER A 458 -7.481 -16.365 4.229 1.00 2.13 H new ATOM 1059 N ASN A 459 -9.373 -12.081 4.547 1.00 73.44 N ATOM 1060 CA ASN A 459 -10.187 -11.212 5.379 1.00 71.22 C ATOM 1061 C ASN A 459 -10.482 -9.915 4.621 1.00 33.22 C ATOM 1062 O ASN A 459 -11.495 -9.265 4.869 1.00 42.01 O ATOM 1063 CB ASN A 459 -9.456 -10.846 6.673 1.00 61.23 C ATOM 1064 CG ASN A 459 -9.601 -11.954 7.717 1.00 4.25 C ATOM 1065 OD1 ASN A 459 -8.879 -12.939 7.720 1.00 51.40 O ATOM 1066 ND2 ASN A 459 -10.571 -11.741 8.601 1.00 11.02 N ATOM 0 H ASN A 459 -8.367 -11.970 4.671 1.00 73.44 H new ATOM 0 HA ASN A 459 -11.107 -11.743 5.621 1.00 71.22 H new ATOM 0 HB2 ASN A 459 -8.400 -10.676 6.463 1.00 61.23 H new ATOM 0 HB3 ASN A 459 -9.857 -9.913 7.070 1.00 61.23 H new ATOM 0 HD21 ASN A 459 -10.748 -12.423 9.339 1.00 11.02 H new ATOM 0 HD22 ASN A 459 -11.138 -10.896 8.542 1.00 11.02 H new ATOM 1072 N PHE A 460 -9.579 -9.581 3.712 1.00 35.42 N ATOM 1073 CA PHE A 460 -9.729 -8.376 2.915 1.00 42.14 C ATOM 1074 C PHE A 460 -10.258 -8.703 1.517 1.00 40.11 C ATOM 1075 O PHE A 460 -10.355 -9.872 1.146 1.00 53.02 O ATOM 1076 CB PHE A 460 -8.341 -7.747 2.788 1.00 33.52 C ATOM 1077 CG PHE A 460 -8.289 -6.539 1.849 1.00 63.44 C ATOM 1078 CD1 PHE A 460 -8.955 -5.398 2.173 1.00 55.11 C ATOM 1079 CD2 PHE A 460 -7.574 -6.606 0.694 1.00 54.34 C ATOM 1080 CE1 PHE A 460 -8.906 -4.277 1.302 1.00 42.20 C ATOM 1081 CE2 PHE A 460 -7.525 -5.485 -0.176 1.00 43.43 C ATOM 1082 CZ PHE A 460 -8.193 -4.344 0.147 1.00 75.10 C ATOM 0 H PHE A 460 -8.740 -10.124 3.509 1.00 35.42 H new ATOM 0 HA PHE A 460 -10.439 -7.701 3.393 1.00 42.14 H new ATOM 0 HB2 PHE A 460 -8.000 -7.441 3.777 1.00 33.52 H new ATOM 0 HB3 PHE A 460 -7.642 -8.503 2.430 1.00 33.52 H new ATOM 0 HD1 PHE A 460 -9.520 -5.344 3.092 1.00 55.11 H new ATOM 0 HD2 PHE A 460 -7.044 -7.512 0.439 1.00 54.34 H new ATOM 0 HE1 PHE A 460 -9.436 -3.371 1.558 1.00 42.20 H new ATOM 0 HE2 PHE A 460 -6.958 -5.538 -1.094 1.00 43.43 H new ATOM 0 HZ PHE A 460 -8.156 -3.491 -0.515 1.00 75.10 H new ATOM 1091 N ASP A 461 -10.586 -7.652 0.781 1.00 55.01 N ATOM 1092 CA ASP A 461 -11.103 -7.813 -0.567 1.00 3.31 C ATOM 1093 C ASP A 461 -10.228 -7.023 -1.542 1.00 33.31 C ATOM 1094 O ASP A 461 -9.992 -5.833 -1.344 1.00 45.25 O ATOM 1095 CB ASP A 461 -12.533 -7.281 -0.678 1.00 24.31 C ATOM 1096 CG ASP A 461 -13.615 -8.218 -0.137 1.00 42.21 C ATOM 1097 OD1 ASP A 461 -14.035 -9.167 -0.816 1.00 62.23 O ATOM 1098 OD2 ASP A 461 -14.035 -7.938 1.051 1.00 12.12 O ATOM 0 H ASP A 461 -10.504 -6.684 1.093 1.00 55.01 H new ATOM 0 HA ASP A 461 -11.095 -8.877 -0.805 1.00 3.31 H new ATOM 0 HB2 ASP A 461 -12.594 -6.333 -0.144 1.00 24.31 H new ATOM 0 HB3 ASP A 461 -12.746 -7.071 -1.726 1.00 24.31 H new ATOM 1103 N CYS A 462 -9.769 -7.718 -2.572 1.00 55.10 N ATOM 1104 CA CYS A 462 -8.926 -7.095 -3.580 1.00 61.02 C ATOM 1105 C CYS A 462 -9.820 -6.299 -4.531 1.00 25.11 C ATOM 1106 O CYS A 462 -9.558 -5.128 -4.801 1.00 34.11 O ATOM 1107 CB CYS A 462 -8.078 -8.128 -4.323 1.00 30.23 C ATOM 1108 SG CYS A 462 -7.521 -9.433 -3.166 1.00 42.12 S ATOM 0 H CYS A 462 -9.964 -8.706 -2.731 1.00 55.10 H new ATOM 0 HA CYS A 462 -8.219 -6.419 -3.099 1.00 61.02 H new ATOM 0 HB2 CYS A 462 -8.658 -8.572 -5.132 1.00 30.23 H new ATOM 0 HB3 CYS A 462 -7.215 -7.642 -4.778 1.00 30.23 H new ATOM 0 HG CYS A 462 -6.493 -10.050 -3.670 1.00 42.12 H new ATOM 1113 N ARG A 463 -10.859 -6.966 -5.013 1.00 5.42 N ATOM 1114 CA ARG A 463 -11.794 -6.334 -5.927 1.00 15.24 C ATOM 1115 C ARG A 463 -12.044 -4.882 -5.515 1.00 33.32 C ATOM 1116 O ARG A 463 -12.302 -4.029 -6.362 1.00 74.23 O ATOM 1117 CB ARG A 463 -13.128 -7.085 -5.958 1.00 63.32 C ATOM 1118 CG ARG A 463 -12.907 -8.589 -6.123 1.00 33.20 C ATOM 1119 CD ARG A 463 -14.064 -9.234 -6.889 1.00 41.22 C ATOM 1120 NE ARG A 463 -13.768 -9.248 -8.338 1.00 61.32 N ATOM 1121 CZ ARG A 463 -14.621 -9.696 -9.282 1.00 2.35 C ATOM 1122 NH1 ARG A 463 -15.837 -10.171 -8.935 1.00 24.54 N ATOM 1123 NH2 ARG A 463 -14.252 -9.663 -10.548 1.00 75.42 N ATOM 0 H ARG A 463 -11.073 -7.937 -4.787 1.00 5.42 H new ATOM 0 HA ARG A 463 -11.351 -6.361 -6.923 1.00 15.24 H new ATOM 0 HB2 ARG A 463 -13.678 -6.894 -5.037 1.00 63.32 H new ATOM 0 HB3 ARG A 463 -13.740 -6.712 -6.779 1.00 63.32 H new ATOM 0 HG2 ARG A 463 -11.972 -8.766 -6.654 1.00 33.20 H new ATOM 0 HG3 ARG A 463 -12.811 -9.055 -5.143 1.00 33.20 H new ATOM 0 HD2 ARG A 463 -14.224 -10.252 -6.533 1.00 41.22 H new ATOM 0 HD3 ARG A 463 -14.986 -8.683 -6.703 1.00 41.22 H new ATOM 0 HE ARG A 463 -12.860 -8.896 -8.643 1.00 61.32 H new ATOM 0 HH11 ARG A 463 -16.115 -10.192 -7.954 1.00 24.54 H new ATOM 0 HH12 ARG A 463 -16.477 -10.508 -9.654 1.00 24.54 H new ATOM 0 HH21 ARG A 463 -13.332 -9.302 -10.802 1.00 75.42 H new ATOM 0 HH22 ARG A 463 -14.886 -9.998 -11.273 1.00 75.42 H new ATOM 1133 N LEU A 464 -11.957 -4.647 -4.215 1.00 44.42 N ATOM 1134 CA LEU A 464 -12.171 -3.313 -3.680 1.00 65.13 C ATOM 1135 C LEU A 464 -10.954 -2.442 -3.997 1.00 73.21 C ATOM 1136 O LEU A 464 -11.006 -1.599 -4.891 1.00 10.41 O ATOM 1137 CB LEU A 464 -12.506 -3.382 -2.188 1.00 1.23 C ATOM 1138 CG LEU A 464 -12.869 -2.053 -1.522 1.00 64.13 C ATOM 1139 CD1 LEU A 464 -11.650 -1.431 -0.839 1.00 63.43 C ATOM 1140 CD2 LEU A 464 -13.517 -1.095 -2.523 1.00 71.31 C ATOM 0 H LEU A 464 -11.741 -5.358 -3.516 1.00 44.42 H new ATOM 0 HA LEU A 464 -13.033 -2.844 -4.155 1.00 65.13 H new ATOM 0 HB2 LEU A 464 -13.339 -4.073 -2.054 1.00 1.23 H new ATOM 0 HB3 LEU A 464 -11.651 -3.808 -1.663 1.00 1.23 H new ATOM 0 HG LEU A 464 -13.607 -2.252 -0.745 1.00 64.13 H new ATOM 0 HD11 LEU A 464 -11.936 -0.488 -0.374 1.00 63.43 H new ATOM 0 HD12 LEU A 464 -11.273 -2.112 -0.076 1.00 63.43 H new ATOM 0 HD13 LEU A 464 -10.871 -1.249 -1.580 1.00 63.43 H new ATOM 0 HD21 LEU A 464 -13.765 -0.159 -2.023 1.00 71.31 H new ATOM 0 HD22 LEU A 464 -12.822 -0.897 -3.340 1.00 71.31 H new ATOM 0 HD23 LEU A 464 -14.426 -1.545 -2.921 1.00 71.31 H new ATOM 1151 N SER A 465 -9.887 -2.674 -3.247 1.00 55.11 N ATOM 1152 CA SER A 465 -8.660 -1.920 -3.438 1.00 32.13 C ATOM 1153 C SER A 465 -8.378 -1.747 -4.931 1.00 51.44 C ATOM 1154 O SER A 465 -8.295 -0.623 -5.425 1.00 0.14 O ATOM 1155 CB SER A 465 -7.479 -2.609 -2.751 1.00 53.02 C ATOM 1156 OG SER A 465 -7.688 -4.010 -2.606 1.00 40.20 O ATOM 0 H SER A 465 -9.847 -3.374 -2.506 1.00 55.11 H new ATOM 0 HA SER A 465 -8.788 -0.937 -2.984 1.00 32.13 H new ATOM 0 HB2 SER A 465 -6.572 -2.436 -3.330 1.00 53.02 H new ATOM 0 HB3 SER A 465 -7.320 -2.163 -1.769 1.00 53.02 H new ATOM 0 HG SER A 465 -8.201 -4.181 -1.789 1.00 40.20 H new ATOM 1161 N LEU A 466 -8.240 -2.876 -5.610 1.00 72.13 N ATOM 1162 CA LEU A 466 -7.969 -2.864 -7.037 1.00 54.32 C ATOM 1163 C LEU A 466 -8.961 -1.929 -7.732 1.00 14.20 C ATOM 1164 O LEU A 466 -8.608 -1.242 -8.689 1.00 51.15 O ATOM 1165 CB LEU A 466 -7.971 -4.289 -7.595 1.00 15.43 C ATOM 1166 CG LEU A 466 -7.262 -4.485 -8.937 1.00 4.41 C ATOM 1167 CD1 LEU A 466 -8.162 -4.061 -10.100 1.00 24.11 C ATOM 1168 CD2 LEU A 466 -5.917 -3.755 -8.957 1.00 14.21 C ATOM 0 H LEU A 466 -8.311 -3.806 -5.198 1.00 72.13 H new ATOM 0 HA LEU A 466 -6.971 -2.472 -7.232 1.00 54.32 H new ATOM 0 HB2 LEU A 466 -7.505 -4.946 -6.861 1.00 15.43 H new ATOM 0 HB3 LEU A 466 -9.006 -4.614 -7.702 1.00 15.43 H new ATOM 0 HG LEU A 466 -7.054 -5.548 -9.062 1.00 4.41 H new ATOM 0 HD11 LEU A 466 -7.634 -4.210 -11.042 1.00 24.11 H new ATOM 0 HD12 LEU A 466 -9.071 -4.662 -10.094 1.00 24.11 H new ATOM 0 HD13 LEU A 466 -8.423 -3.008 -9.993 1.00 24.11 H new ATOM 0 HD21 LEU A 466 -5.433 -3.910 -9.921 1.00 14.21 H new ATOM 0 HD22 LEU A 466 -6.079 -2.689 -8.800 1.00 14.21 H new ATOM 0 HD23 LEU A 466 -5.279 -4.146 -8.164 1.00 14.21 H new ATOM 1179 N HIS A 467 -10.185 -1.933 -7.223 1.00 62.51 N ATOM 1180 CA HIS A 467 -11.231 -1.095 -7.781 1.00 55.22 C ATOM 1181 C HIS A 467 -11.019 0.355 -7.340 1.00 65.55 C ATOM 1182 O HIS A 467 -11.412 1.286 -8.040 1.00 41.20 O ATOM 1183 CB HIS A 467 -12.615 -1.630 -7.409 1.00 2.34 C ATOM 1184 CG HIS A 467 -13.747 -0.683 -7.728 1.00 21.30 C ATOM 1185 ND1 HIS A 467 -13.796 0.062 -8.893 1.00 33.23 N ATOM 1186 CD2 HIS A 467 -14.870 -0.366 -7.021 1.00 4.02 C ATOM 1187 CE1 HIS A 467 -14.903 0.789 -8.878 1.00 10.31 C ATOM 1188 NE2 HIS A 467 -15.567 0.523 -7.716 1.00 13.23 N ATOM 0 H HIS A 467 -10.475 -2.504 -6.429 1.00 62.51 H new ATOM 0 HA HIS A 467 -11.177 -1.119 -8.869 1.00 55.22 H new ATOM 0 HB2 HIS A 467 -12.783 -2.570 -7.934 1.00 2.34 H new ATOM 0 HB3 HIS A 467 -12.632 -1.854 -6.342 1.00 2.34 H new ATOM 0 HD2 HIS A 467 -15.145 -0.771 -6.058 1.00 4.02 H new ATOM 0 HE1 HIS A 467 -15.224 1.473 -9.650 1.00 10.31 H new ATOM 0 HE2 HIS A 467 -16.453 0.939 -7.429 1.00 13.23 H new ATOM 1195 N GLN A 468 -10.393 0.501 -6.181 1.00 43.22 N ATOM 1196 CA GLN A 468 -10.122 1.820 -5.637 1.00 42.14 C ATOM 1197 C GLN A 468 -8.936 2.460 -6.361 1.00 65.31 C ATOM 1198 O GLN A 468 -9.096 3.459 -7.062 1.00 44.54 O ATOM 1199 CB GLN A 468 -9.871 1.752 -4.129 1.00 0.31 C ATOM 1200 CG GLN A 468 -11.037 1.069 -3.409 1.00 53.12 C ATOM 1201 CD GLN A 468 -11.421 1.833 -2.140 1.00 72.31 C ATOM 1202 OE1 GLN A 468 -12.519 2.345 -2.000 1.00 42.22 O ATOM 1203 NE2 GLN A 468 -10.456 1.880 -1.226 1.00 62.11 N ATOM 0 H GLN A 468 -10.066 -0.274 -5.604 1.00 43.22 H new ATOM 0 HA GLN A 468 -11.001 2.444 -5.798 1.00 42.14 H new ATOM 0 HB2 GLN A 468 -8.948 1.205 -3.935 1.00 0.31 H new ATOM 0 HB3 GLN A 468 -9.734 2.759 -3.734 1.00 0.31 H new ATOM 0 HG2 GLN A 468 -11.897 1.010 -4.076 1.00 53.12 H new ATOM 0 HG3 GLN A 468 -10.762 0.046 -3.153 1.00 53.12 H new ATOM 0 HE21 GLN A 468 -9.559 1.429 -1.408 1.00 62.11 H new ATOM 0 HE22 GLN A 468 -10.613 2.367 -0.343 1.00 62.11 H new ATOM 1210 N VAL A 469 -7.772 1.858 -6.168 1.00 34.22 N ATOM 1211 CA VAL A 469 -6.559 2.356 -6.796 1.00 5.32 C ATOM 1212 C VAL A 469 -6.829 2.628 -8.275 1.00 20.11 C ATOM 1213 O VAL A 469 -6.563 3.723 -8.768 1.00 13.30 O ATOM 1214 CB VAL A 469 -5.410 1.371 -6.568 1.00 53.53 C ATOM 1215 CG1 VAL A 469 -5.753 -0.010 -7.131 1.00 72.32 C ATOM 1216 CG2 VAL A 469 -4.107 1.900 -7.170 1.00 71.03 C ATOM 0 H VAL A 469 -7.642 1.030 -5.586 1.00 34.22 H new ATOM 0 HA VAL A 469 -6.255 3.300 -6.344 1.00 5.32 H new ATOM 0 HB VAL A 469 -5.265 1.268 -5.493 1.00 53.53 H new ATOM 0 HG11 VAL A 469 -4.920 -0.691 -6.956 1.00 72.32 H new ATOM 0 HG12 VAL A 469 -6.645 -0.393 -6.636 1.00 72.32 H new ATOM 0 HG13 VAL A 469 -5.938 0.069 -8.202 1.00 72.32 H new ATOM 0 HG21 VAL A 469 -3.307 1.181 -6.994 1.00 71.03 H new ATOM 0 HG22 VAL A 469 -4.235 2.046 -8.243 1.00 71.03 H new ATOM 0 HG23 VAL A 469 -3.850 2.851 -6.703 1.00 71.03 H new ATOM 1226 N ASN A 470 -7.354 1.612 -8.945 1.00 73.21 N ATOM 1227 CA ASN A 470 -7.664 1.728 -10.360 1.00 1.31 C ATOM 1228 C ASN A 470 -8.264 3.108 -10.635 1.00 72.41 C ATOM 1229 O ASN A 470 -7.650 3.933 -11.311 1.00 70.53 O ATOM 1230 CB ASN A 470 -8.687 0.675 -10.788 1.00 22.33 C ATOM 1231 CG ASN A 470 -7.992 -0.580 -11.319 1.00 4.13 C ATOM 1232 OD1 ASN A 470 -8.351 -1.134 -12.346 1.00 50.33 O ATOM 1233 ND2 ASN A 470 -6.979 -0.999 -10.564 1.00 13.03 N ATOM 0 H ASN A 470 -7.572 0.705 -8.534 1.00 73.21 H new ATOM 0 HA ASN A 470 -6.740 1.582 -10.920 1.00 1.31 H new ATOM 0 HB2 ASN A 470 -9.321 0.413 -9.941 1.00 22.33 H new ATOM 0 HB3 ASN A 470 -9.339 1.088 -11.558 1.00 22.33 H new ATOM 0 HD21 ASN A 470 -6.452 -1.830 -10.833 1.00 13.03 H new ATOM 0 HD22 ASN A 470 -6.730 -0.489 -9.716 1.00 13.03 H new ATOM 1239 N GLN A 471 -9.457 3.318 -10.098 1.00 24.45 N ATOM 1240 CA GLN A 471 -10.147 4.584 -10.276 1.00 63.03 C ATOM 1241 C GLN A 471 -9.206 5.749 -9.962 1.00 62.22 C ATOM 1242 O GLN A 471 -9.131 6.714 -10.723 1.00 21.25 O ATOM 1243 CB GLN A 471 -11.407 4.648 -9.411 1.00 50.23 C ATOM 1244 CG GLN A 471 -12.392 3.542 -9.795 1.00 43.42 C ATOM 1245 CD GLN A 471 -13.381 4.031 -10.856 1.00 74.40 C ATOM 1246 OE1 GLN A 471 -14.358 4.702 -10.568 1.00 15.34 O ATOM 1247 NE2 GLN A 471 -13.072 3.660 -12.096 1.00 63.02 N ATOM 0 H GLN A 471 -9.964 2.632 -9.539 1.00 24.45 H new ATOM 0 HA GLN A 471 -10.458 4.664 -11.318 1.00 63.03 H new ATOM 0 HB2 GLN A 471 -11.136 4.550 -8.360 1.00 50.23 H new ATOM 0 HB3 GLN A 471 -11.884 5.621 -9.528 1.00 50.23 H new ATOM 0 HG2 GLN A 471 -11.845 2.678 -10.173 1.00 43.42 H new ATOM 0 HG3 GLN A 471 -12.936 3.212 -8.910 1.00 43.42 H new ATOM 0 HE21 GLN A 471 -12.238 3.098 -12.267 1.00 63.02 H new ATOM 0 HE22 GLN A 471 -13.669 3.938 -12.875 1.00 63.02 H new ATOM 1254 N ALA A 472 -8.513 5.624 -8.841 1.00 23.34 N ATOM 1255 CA ALA A 472 -7.581 6.654 -8.416 1.00 31.14 C ATOM 1256 C ALA A 472 -6.619 6.968 -9.564 1.00 2.32 C ATOM 1257 O ALA A 472 -6.281 8.129 -9.796 1.00 31.44 O ATOM 1258 CB ALA A 472 -6.851 6.194 -7.153 1.00 54.21 C ATOM 0 H ALA A 472 -8.578 4.823 -8.212 1.00 23.34 H new ATOM 0 HA ALA A 472 -8.111 7.573 -8.168 1.00 31.14 H new ATOM 0 HB1 ALA A 472 -6.152 6.967 -6.835 1.00 54.21 H new ATOM 0 HB2 ALA A 472 -7.576 6.012 -6.360 1.00 54.21 H new ATOM 0 HB3 ALA A 472 -6.304 5.275 -7.363 1.00 54.21 H new ATOM 1264 N MET A 473 -6.203 5.914 -10.251 1.00 62.22 N ATOM 1265 CA MET A 473 -5.286 6.063 -11.368 1.00 5.02 C ATOM 1266 C MET A 473 -5.976 6.734 -12.558 1.00 72.04 C ATOM 1267 O MET A 473 -5.602 7.836 -12.955 1.00 54.52 O ATOM 1268 CB MET A 473 -4.766 4.688 -11.789 1.00 23.12 C ATOM 1269 CG MET A 473 -4.182 3.933 -10.593 1.00 32.33 C ATOM 1270 SD MET A 473 -2.405 4.111 -10.569 1.00 4.20 S ATOM 1271 CE MET A 473 -1.952 2.568 -9.792 1.00 60.25 C ATOM 0 H MET A 473 -6.484 4.953 -10.055 1.00 62.22 H new ATOM 0 HA MET A 473 -4.456 6.693 -11.050 1.00 5.02 H new ATOM 0 HB2 MET A 473 -5.577 4.108 -12.229 1.00 23.12 H new ATOM 0 HB3 MET A 473 -4.003 4.804 -12.558 1.00 23.12 H new ATOM 0 HG2 MET A 473 -4.607 4.318 -9.666 1.00 32.33 H new ATOM 0 HG3 MET A 473 -4.450 2.878 -10.652 1.00 32.33 H new ATOM 0 HE1 MET A 473 -0.980 2.245 -10.164 1.00 60.25 H new ATOM 0 HE2 MET A 473 -1.900 2.706 -8.712 1.00 60.25 H new ATOM 0 HE3 MET A 473 -2.700 1.810 -10.025 1.00 60.25 H new ATOM 1279 N MET A 474 -6.969 6.041 -13.094 1.00 5.03 N ATOM 1280 CA MET A 474 -7.715 6.555 -14.229 1.00 31.03 C ATOM 1281 C MET A 474 -8.370 7.897 -13.894 1.00 73.21 C ATOM 1282 O MET A 474 -8.814 8.616 -14.788 1.00 64.40 O ATOM 1283 CB MET A 474 -8.794 5.547 -14.631 1.00 72.12 C ATOM 1284 CG MET A 474 -10.001 5.632 -13.694 1.00 62.05 C ATOM 1285 SD MET A 474 -11.158 6.848 -14.298 1.00 1.55 S ATOM 1286 CE MET A 474 -11.798 7.464 -12.750 1.00 55.21 C ATOM 0 H MET A 474 -7.275 5.126 -12.762 1.00 5.03 H new ATOM 0 HA MET A 474 -7.021 6.707 -15.056 1.00 31.03 H new ATOM 0 HB2 MET A 474 -9.111 5.738 -15.656 1.00 72.12 H new ATOM 0 HB3 MET A 474 -8.381 4.538 -14.607 1.00 72.12 H new ATOM 0 HG2 MET A 474 -10.487 4.659 -13.624 1.00 62.05 H new ATOM 0 HG3 MET A 474 -9.673 5.897 -12.689 1.00 62.05 H new ATOM 0 HE1 MET A 474 -12.868 7.264 -12.693 1.00 55.21 H new ATOM 0 HE2 MET A 474 -11.291 6.966 -11.923 1.00 55.21 H new ATOM 0 HE3 MET A 474 -11.626 8.539 -12.687 1.00 55.21 H new ATOM 1294 N SER A 475 -8.407 8.194 -12.603 1.00 21.14 N ATOM 1295 CA SER A 475 -9.000 9.436 -12.138 1.00 0.00 C ATOM 1296 C SER A 475 -7.926 10.523 -12.038 1.00 13.11 C ATOM 1297 O SER A 475 -8.240 11.711 -12.023 1.00 54.32 O ATOM 1298 CB SER A 475 -9.690 9.245 -10.786 1.00 75.14 C ATOM 1299 OG SER A 475 -10.231 10.466 -10.286 1.00 22.53 O ATOM 0 H SER A 475 -8.036 7.596 -11.865 1.00 21.14 H new ATOM 0 HA SER A 475 -9.756 9.746 -12.860 1.00 0.00 H new ATOM 0 HB2 SER A 475 -10.488 8.509 -10.887 1.00 75.14 H new ATOM 0 HB3 SER A 475 -8.975 8.844 -10.067 1.00 75.14 H new ATOM 0 HG SER A 475 -10.109 10.504 -9.314 1.00 22.53 H new ATOM 1304 N ASN A 476 -6.682 10.075 -11.974 1.00 64.32 N ATOM 1305 CA ASN A 476 -5.560 10.993 -11.875 1.00 63.03 C ATOM 1306 C ASN A 476 -4.381 10.439 -12.678 1.00 23.43 C ATOM 1307 O ASN A 476 -3.531 9.735 -12.133 1.00 2.44 O ATOM 1308 CB ASN A 476 -5.108 11.158 -10.423 1.00 64.45 C ATOM 1309 CG ASN A 476 -3.984 12.191 -10.311 1.00 23.04 C ATOM 1310 OD1 ASN A 476 -3.912 13.150 -11.061 1.00 40.22 O ATOM 1311 ND2 ASN A 476 -3.114 11.940 -9.337 1.00 50.04 N ATOM 0 H ASN A 476 -6.425 9.088 -11.989 1.00 64.32 H new ATOM 0 HA ASN A 476 -5.881 11.960 -12.264 1.00 63.03 H new ATOM 0 HB2 ASN A 476 -5.953 11.467 -9.808 1.00 64.45 H new ATOM 0 HB3 ASN A 476 -4.765 10.199 -10.034 1.00 64.45 H new ATOM 0 HD21 ASN A 476 -2.327 12.570 -9.182 1.00 50.04 H new ATOM 0 HD22 ASN A 476 -3.234 11.118 -8.745 1.00 50.04 H new ATOM 1317 N LEU A 477 -4.365 10.779 -13.958 1.00 5.04 N ATOM 1318 CA LEU A 477 -3.304 10.323 -14.841 1.00 1.51 C ATOM 1319 C LEU A 477 -2.435 11.515 -15.241 1.00 60.15 C ATOM 1320 O LEU A 477 -1.288 11.342 -15.651 1.00 61.02 O ATOM 1321 CB LEU A 477 -3.889 9.560 -16.030 1.00 73.34 C ATOM 1322 CG LEU A 477 -4.933 8.493 -15.697 1.00 71.21 C ATOM 1323 CD1 LEU A 477 -5.845 8.224 -16.894 1.00 62.22 C ATOM 1324 CD2 LEU A 477 -4.266 7.214 -15.186 1.00 2.32 C ATOM 0 H LEU A 477 -5.070 11.365 -14.405 1.00 5.04 H new ATOM 0 HA LEU A 477 -2.656 9.614 -14.326 1.00 1.51 H new ATOM 0 HB2 LEU A 477 -4.341 10.281 -16.712 1.00 73.34 H new ATOM 0 HB3 LEU A 477 -3.070 9.083 -16.568 1.00 73.34 H new ATOM 0 HG LEU A 477 -5.563 8.872 -14.892 1.00 71.21 H new ATOM 0 HD11 LEU A 477 -6.577 7.461 -16.629 1.00 62.22 H new ATOM 0 HD12 LEU A 477 -6.362 9.143 -17.171 1.00 62.22 H new ATOM 0 HD13 LEU A 477 -5.247 7.876 -17.736 1.00 62.22 H new ATOM 0 HD21 LEU A 477 -5.030 6.472 -14.957 1.00 2.32 H new ATOM 0 HD22 LEU A 477 -3.597 6.821 -15.952 1.00 2.32 H new ATOM 0 HD23 LEU A 477 -3.694 7.437 -14.285 1.00 2.32 H new ATOM 1335 N THR A 478 -3.013 12.700 -15.109 1.00 73.22 N ATOM 1336 CA THR A 478 -2.305 13.922 -15.453 1.00 12.10 C ATOM 1337 C THR A 478 -1.226 14.224 -14.410 1.00 44.53 C ATOM 1338 O THR A 478 -0.464 15.179 -14.558 1.00 1.54 O ATOM 1339 CB THR A 478 -3.336 15.041 -15.603 1.00 3.11 C ATOM 1340 OG1 THR A 478 -2.569 16.168 -16.012 1.00 55.24 O ATOM 1341 CG2 THR A 478 -3.937 15.467 -14.261 1.00 15.23 C ATOM 0 H THR A 478 -3.964 12.840 -14.768 1.00 73.22 H new ATOM 0 HA THR A 478 -1.777 13.820 -16.401 1.00 12.10 H new ATOM 0 HB THR A 478 -4.133 14.713 -16.270 1.00 3.11 H new ATOM 0 HG1 THR A 478 -1.672 16.112 -15.621 1.00 55.24 H new ATOM 0 HG21 THR A 478 -4.663 16.264 -14.424 1.00 15.23 H new ATOM 0 HG22 THR A 478 -4.432 14.614 -13.797 1.00 15.23 H new ATOM 0 HG23 THR A 478 -3.144 15.827 -13.605 1.00 15.23 H new ATOM 1349 N ARG A 479 -1.198 13.394 -13.378 1.00 13.31 N ATOM 1350 CA ARG A 479 -0.226 13.561 -12.310 1.00 31.04 C ATOM 1351 C ARG A 479 0.911 12.550 -12.465 1.00 31.23 C ATOM 1352 O ARG A 479 2.015 12.909 -12.870 1.00 42.22 O ATOM 1353 CB ARG A 479 -0.879 13.379 -10.938 1.00 52.03 C ATOM 1354 CG ARG A 479 -1.284 14.728 -10.340 1.00 71.55 C ATOM 1355 CD ARG A 479 -2.091 15.554 -11.344 1.00 20.14 C ATOM 1356 NE ARG A 479 -2.151 16.966 -10.906 1.00 31.32 N ATOM 1357 CZ ARG A 479 -1.089 17.799 -10.888 1.00 22.52 C ATOM 1358 NH1 ARG A 479 0.128 17.367 -11.283 1.00 62.13 N ATOM 1359 NH2 ARG A 479 -1.257 19.042 -10.477 1.00 41.44 N ATOM 0 H ARG A 479 -1.832 12.604 -13.258 1.00 13.31 H new ATOM 0 HA ARG A 479 0.172 14.573 -12.378 1.00 31.04 H new ATOM 0 HB2 ARG A 479 -1.757 12.740 -11.031 1.00 52.03 H new ATOM 0 HB3 ARG A 479 -0.186 12.873 -10.266 1.00 52.03 H new ATOM 0 HG2 ARG A 479 -1.875 14.567 -9.438 1.00 71.55 H new ATOM 0 HG3 ARG A 479 -0.392 15.280 -10.043 1.00 71.55 H new ATOM 0 HD2 ARG A 479 -1.633 15.490 -12.331 1.00 20.14 H new ATOM 0 HD3 ARG A 479 -3.099 15.149 -11.433 1.00 20.14 H new ATOM 0 HE ARG A 479 -3.052 17.333 -10.598 1.00 31.32 H new ATOM 0 HH11 ARG A 479 0.250 16.405 -11.598 1.00 62.13 H new ATOM 0 HH12 ARG A 479 0.925 18.003 -11.266 1.00 62.13 H new ATOM 0 HH21 ARG A 479 -2.179 19.360 -10.179 1.00 41.44 H new ATOM 0 HH22 ARG A 479 -0.465 19.684 -10.457 1.00 41.44 H new ATOM 1369 N GLN A 480 0.601 11.304 -12.134 1.00 61.24 N ATOM 1370 CA GLN A 480 1.583 10.238 -12.230 1.00 35.42 C ATOM 1371 C GLN A 480 1.144 9.203 -13.268 1.00 0.41 C ATOM 1372 O GLN A 480 1.979 8.570 -13.912 1.00 4.21 O ATOM 1373 CB GLN A 480 1.819 9.584 -10.867 1.00 12.04 C ATOM 1374 CG GLN A 480 0.535 8.940 -10.341 1.00 5.33 C ATOM 1375 CD GLN A 480 -0.379 9.985 -9.697 1.00 72.33 C ATOM 1376 OE1 GLN A 480 -1.535 10.139 -10.052 1.00 52.42 O ATOM 1377 NE2 GLN A 480 0.204 10.693 -8.735 1.00 24.40 N ATOM 0 H GLN A 480 -0.316 11.010 -11.799 1.00 61.24 H new ATOM 0 HA GLN A 480 2.529 10.671 -12.556 1.00 35.42 H new ATOM 0 HB2 GLN A 480 2.601 8.829 -10.952 1.00 12.04 H new ATOM 0 HB3 GLN A 480 2.173 10.331 -10.157 1.00 12.04 H new ATOM 0 HG2 GLN A 480 0.010 8.447 -11.159 1.00 5.33 H new ATOM 0 HG3 GLN A 480 0.783 8.169 -9.611 1.00 5.33 H new ATOM 0 HE21 GLN A 480 1.177 10.512 -8.487 1.00 24.40 H new ATOM 0 HE22 GLN A 480 -0.321 11.417 -8.245 1.00 24.40 H new ATOM 1384 N GLY A 481 -0.167 9.064 -13.398 1.00 2.14 N ATOM 1385 CA GLY A 481 -0.728 8.117 -14.346 1.00 12.42 C ATOM 1386 C GLY A 481 0.107 6.837 -14.402 1.00 32.31 C ATOM 1387 O GLY A 481 0.394 6.325 -15.484 1.00 73.31 O ATOM 0 H GLY A 481 -0.857 9.591 -12.863 1.00 2.14 H new ATOM 0 HA2 GLY A 481 -1.752 7.875 -14.061 1.00 12.42 H new ATOM 0 HA3 GLY A 481 -0.771 8.571 -15.336 1.00 12.42 H new ATOM 1391 N SER A 482 0.474 6.355 -13.225 1.00 22.11 N ATOM 1392 CA SER A 482 1.272 5.144 -13.126 1.00 53.42 C ATOM 1393 C SER A 482 0.437 4.016 -12.516 1.00 34.01 C ATOM 1394 O SER A 482 0.299 3.929 -11.298 1.00 42.15 O ATOM 1395 CB SER A 482 2.532 5.382 -12.291 1.00 31.55 C ATOM 1396 OG SER A 482 3.550 6.043 -13.039 1.00 30.43 O ATOM 0 H SER A 482 0.234 6.781 -12.330 1.00 22.11 H new ATOM 0 HA SER A 482 1.583 4.856 -14.130 1.00 53.42 H new ATOM 0 HB2 SER A 482 2.279 5.980 -11.415 1.00 31.55 H new ATOM 0 HB3 SER A 482 2.911 4.427 -11.927 1.00 31.55 H new ATOM 0 HG SER A 482 3.194 6.878 -13.409 1.00 30.43 H new ATOM 1401 N PRO A 483 -0.111 3.157 -13.417 1.00 54.44 N ATOM 1402 CA PRO A 483 -0.929 2.039 -12.982 1.00 10.31 C ATOM 1403 C PRO A 483 -0.063 0.922 -12.394 1.00 40.14 C ATOM 1404 O PRO A 483 -0.578 -0.112 -11.974 1.00 30.11 O ATOM 1405 CB PRO A 483 -1.695 1.604 -14.221 1.00 3.50 C ATOM 1406 CG PRO A 483 -0.940 2.190 -15.404 1.00 1.31 C ATOM 1407 CD PRO A 483 0.031 3.229 -14.869 1.00 63.04 C ATOM 0 HA PRO A 483 -1.616 2.309 -12.180 1.00 10.31 H new ATOM 0 HB2 PRO A 483 -1.744 0.517 -14.288 1.00 3.50 H new ATOM 0 HB3 PRO A 483 -2.722 1.968 -14.194 1.00 3.50 H new ATOM 0 HG2 PRO A 483 -0.404 1.407 -15.940 1.00 1.31 H new ATOM 0 HG3 PRO A 483 -1.633 2.644 -16.112 1.00 1.31 H new ATOM 0 HD2 PRO A 483 1.053 3.012 -15.178 1.00 63.04 H new ATOM 0 HD3 PRO A 483 -0.210 4.225 -15.241 1.00 63.04 H new ATOM 1412 N ASP A 484 1.239 1.171 -12.382 1.00 14.10 N ATOM 1413 CA ASP A 484 2.182 0.201 -11.853 1.00 53.30 C ATOM 1414 C ASP A 484 2.509 0.554 -10.401 1.00 73.12 C ATOM 1415 O ASP A 484 3.487 0.060 -9.844 1.00 24.12 O ATOM 1416 CB ASP A 484 3.488 0.211 -12.649 1.00 45.43 C ATOM 1417 CG ASP A 484 3.439 -0.540 -13.981 1.00 54.34 C ATOM 1418 OD1 ASP A 484 2.391 -0.604 -14.640 1.00 53.55 O ATOM 1419 OD2 ASP A 484 4.554 -1.080 -14.343 1.00 54.32 O ATOM 0 H ASP A 484 1.662 2.031 -12.730 1.00 14.10 H new ATOM 0 HA ASP A 484 1.726 -0.786 -11.923 1.00 53.30 H new ATOM 0 HB2 ASP A 484 3.770 1.246 -12.843 1.00 45.43 H new ATOM 0 HB3 ASP A 484 4.275 -0.224 -12.033 1.00 45.43 H new ATOM 1424 N CYS A 485 1.672 1.408 -9.830 1.00 63.43 N ATOM 1425 CA CYS A 485 1.861 1.835 -8.454 1.00 10.35 C ATOM 1426 C CYS A 485 1.020 0.929 -7.552 1.00 41.24 C ATOM 1427 O CYS A 485 0.446 1.390 -6.566 1.00 73.43 O ATOM 1428 CB CYS A 485 1.511 3.312 -8.266 1.00 21.11 C ATOM 1429 SG CYS A 485 2.662 4.355 -9.233 1.00 64.33 S ATOM 0 H CYS A 485 0.861 1.816 -10.295 1.00 63.43 H new ATOM 0 HA CYS A 485 2.913 1.743 -8.182 1.00 10.35 H new ATOM 0 HB2 CYS A 485 0.485 3.495 -8.586 1.00 21.11 H new ATOM 0 HB3 CYS A 485 1.567 3.576 -7.210 1.00 21.11 H new ATOM 0 HG CYS A 485 2.355 5.607 -9.069 1.00 64.33 H new ATOM 1434 N VAL A 486 0.973 -0.342 -7.921 1.00 32.23 N ATOM 1435 CA VAL A 486 0.211 -1.316 -7.157 1.00 31.41 C ATOM 1436 C VAL A 486 1.146 -2.434 -6.688 1.00 72.00 C ATOM 1437 O VAL A 486 2.041 -2.849 -7.424 1.00 3.31 O ATOM 1438 CB VAL A 486 -0.965 -1.829 -7.988 1.00 14.41 C ATOM 1439 CG1 VAL A 486 -1.500 -3.149 -7.428 1.00 55.10 C ATOM 1440 CG2 VAL A 486 -2.075 -0.781 -8.075 1.00 54.44 C ATOM 0 H VAL A 486 1.450 -0.721 -8.739 1.00 32.23 H new ATOM 0 HA VAL A 486 -0.216 -0.854 -6.267 1.00 31.41 H new ATOM 0 HB VAL A 486 -0.602 -2.017 -8.999 1.00 14.41 H new ATOM 0 HG11 VAL A 486 -2.336 -3.491 -8.038 1.00 55.10 H new ATOM 0 HG12 VAL A 486 -0.709 -3.898 -7.444 1.00 55.10 H new ATOM 0 HG13 VAL A 486 -1.837 -2.999 -6.402 1.00 55.10 H new ATOM 0 HG21 VAL A 486 -2.899 -1.172 -8.672 1.00 54.44 H new ATOM 0 HG22 VAL A 486 -2.433 -0.546 -7.073 1.00 54.44 H new ATOM 0 HG23 VAL A 486 -1.686 0.123 -8.543 1.00 54.44 H new ATOM 1450 N ILE A 487 0.906 -2.889 -5.468 1.00 4.43 N ATOM 1451 CA ILE A 487 1.714 -3.951 -4.892 1.00 34.04 C ATOM 1452 C ILE A 487 0.819 -4.877 -4.066 1.00 62.11 C ATOM 1453 O ILE A 487 0.554 -4.608 -2.896 1.00 23.05 O ATOM 1454 CB ILE A 487 2.886 -3.364 -4.104 1.00 50.51 C ATOM 1455 CG1 ILE A 487 3.482 -2.154 -4.826 1.00 53.42 C ATOM 1456 CG2 ILE A 487 3.941 -4.434 -3.812 1.00 43.54 C ATOM 1457 CD1 ILE A 487 4.250 -2.586 -6.077 1.00 20.24 C ATOM 0 H ILE A 487 0.163 -2.542 -4.861 1.00 4.43 H new ATOM 0 HA ILE A 487 2.161 -4.559 -5.678 1.00 34.04 H new ATOM 0 HB ILE A 487 2.509 -3.012 -3.144 1.00 50.51 H new ATOM 0 HG12 ILE A 487 2.686 -1.463 -5.104 1.00 53.42 H new ATOM 0 HG13 ILE A 487 4.150 -1.617 -4.153 1.00 53.42 H new ATOM 0 HG21 ILE A 487 4.763 -3.990 -3.251 1.00 43.54 H new ATOM 0 HG22 ILE A 487 3.493 -5.236 -3.226 1.00 43.54 H new ATOM 0 HG23 ILE A 487 4.319 -4.838 -4.751 1.00 43.54 H new ATOM 0 HD11 ILE A 487 4.664 -1.707 -6.572 1.00 20.24 H new ATOM 0 HD12 ILE A 487 5.060 -3.257 -5.793 1.00 20.24 H new ATOM 0 HD13 ILE A 487 3.574 -3.102 -6.759 1.00 20.24 H new ATOM 1468 N PRO A 488 0.366 -5.977 -4.727 1.00 43.15 N ATOM 1469 CA PRO A 488 -0.494 -6.944 -4.065 1.00 21.43 C ATOM 1470 C PRO A 488 0.306 -7.814 -3.093 1.00 42.11 C ATOM 1471 O PRO A 488 0.958 -8.773 -3.504 1.00 43.31 O ATOM 1472 CB PRO A 488 -1.127 -7.743 -5.193 1.00 70.53 C ATOM 1473 CG PRO A 488 -0.252 -7.506 -6.413 1.00 22.32 C ATOM 1474 CD PRO A 488 0.659 -6.327 -6.112 1.00 2.24 C ATOM 0 HA PRO A 488 -1.260 -6.474 -3.448 1.00 21.43 H new ATOM 0 HB2 PRO A 488 -1.171 -8.803 -4.944 1.00 70.53 H new ATOM 0 HB3 PRO A 488 -2.150 -7.416 -5.377 1.00 70.53 H new ATOM 0 HG2 PRO A 488 0.337 -8.395 -6.639 1.00 22.32 H new ATOM 0 HG3 PRO A 488 -0.867 -7.299 -7.289 1.00 22.32 H new ATOM 0 HD2 PRO A 488 1.708 -6.594 -6.239 1.00 2.24 H new ATOM 0 HD3 PRO A 488 0.459 -5.491 -6.782 1.00 2.24 H new ATOM 1479 N PHE A 489 0.229 -7.448 -1.821 1.00 54.41 N ATOM 1480 CA PHE A 489 0.937 -8.182 -0.787 1.00 3.31 C ATOM 1481 C PHE A 489 0.200 -9.476 -0.432 1.00 64.23 C ATOM 1482 O PHE A 489 -0.940 -9.679 -0.844 1.00 75.54 O ATOM 1483 CB PHE A 489 0.985 -7.281 0.448 1.00 34.21 C ATOM 1484 CG PHE A 489 2.183 -7.544 1.364 1.00 4.21 C ATOM 1485 CD1 PHE A 489 2.091 -8.471 2.355 1.00 55.11 C ATOM 1486 CD2 PHE A 489 3.340 -6.851 1.186 1.00 24.10 C ATOM 1487 CE1 PHE A 489 3.201 -8.715 3.205 1.00 73.21 C ATOM 1488 CE2 PHE A 489 4.450 -7.095 2.036 1.00 73.50 C ATOM 1489 CZ PHE A 489 4.359 -8.022 3.028 1.00 52.42 C ATOM 0 H PHE A 489 -0.313 -6.653 -1.484 1.00 54.41 H new ATOM 0 HA PHE A 489 1.935 -8.447 -1.136 1.00 3.31 H new ATOM 0 HB2 PHE A 489 1.009 -6.240 0.125 1.00 34.21 H new ATOM 0 HB3 PHE A 489 0.067 -7.416 1.020 1.00 34.21 H new ATOM 0 HD1 PHE A 489 1.173 -9.022 2.495 1.00 55.11 H new ATOM 0 HD2 PHE A 489 3.414 -6.116 0.398 1.00 24.10 H new ATOM 0 HE1 PHE A 489 3.127 -9.451 3.992 1.00 73.21 H new ATOM 0 HE2 PHE A 489 5.368 -6.544 1.895 1.00 73.50 H new ATOM 0 HZ PHE A 489 5.204 -8.208 3.674 1.00 52.42 H new ATOM 1498 N LEU A 490 0.883 -10.318 0.333 1.00 55.33 N ATOM 1499 CA LEU A 490 0.307 -11.585 0.747 1.00 64.04 C ATOM 1500 C LEU A 490 0.937 -12.015 2.073 1.00 21.33 C ATOM 1501 O LEU A 490 2.072 -12.491 2.100 1.00 44.30 O ATOM 1502 CB LEU A 490 0.444 -12.626 -0.365 1.00 70.01 C ATOM 1503 CG LEU A 490 -0.450 -13.862 -0.241 1.00 63.33 C ATOM 1504 CD1 LEU A 490 0.230 -14.948 0.595 1.00 1.44 C ATOM 1505 CD2 LEU A 490 -1.826 -13.489 0.314 1.00 53.54 C ATOM 0 H LEU A 490 1.828 -10.146 0.676 1.00 55.33 H new ATOM 0 HA LEU A 490 -0.764 -11.479 0.920 1.00 64.04 H new ATOM 0 HB2 LEU A 490 0.230 -12.141 -1.318 1.00 70.01 H new ATOM 0 HB3 LEU A 490 1.482 -12.955 -0.401 1.00 70.01 H new ATOM 0 HG LEU A 490 -0.606 -14.273 -1.238 1.00 63.33 H new ATOM 0 HD11 LEU A 490 -0.426 -15.815 0.668 1.00 1.44 H new ATOM 0 HD12 LEU A 490 1.166 -15.240 0.120 1.00 1.44 H new ATOM 0 HD13 LEU A 490 0.435 -14.563 1.594 1.00 1.44 H new ATOM 0 HD21 LEU A 490 -2.442 -14.385 0.392 1.00 53.54 H new ATOM 0 HD22 LEU A 490 -1.711 -13.040 1.301 1.00 53.54 H new ATOM 0 HD23 LEU A 490 -2.307 -12.775 -0.355 1.00 53.54 H new ATOM 1516 N PRO A 491 0.155 -11.827 3.170 1.00 1.00 N ATOM 1517 CA PRO A 491 0.626 -12.191 4.497 1.00 53.42 C ATOM 1518 C PRO A 491 0.595 -13.708 4.692 1.00 62.24 C ATOM 1519 O PRO A 491 -0.111 -14.416 3.976 1.00 63.31 O ATOM 1520 CB PRO A 491 -0.291 -11.449 5.455 1.00 44.42 C ATOM 1521 CG PRO A 491 -1.522 -11.072 4.648 1.00 14.44 C ATOM 1522 CD PRO A 491 -1.193 -11.265 3.176 1.00 61.43 C ATOM 0 HA PRO A 491 1.666 -11.913 4.667 1.00 53.42 H new ATOM 0 HB2 PRO A 491 -0.559 -12.077 6.305 1.00 44.42 H new ATOM 0 HB3 PRO A 491 0.199 -10.562 5.856 1.00 44.42 H new ATOM 0 HG2 PRO A 491 -2.371 -11.693 4.934 1.00 14.44 H new ATOM 0 HG3 PRO A 491 -1.804 -10.037 4.843 1.00 14.44 H new ATOM 0 HD2 PRO A 491 -1.905 -11.937 2.696 1.00 61.43 H new ATOM 0 HD3 PRO A 491 -1.231 -10.320 2.634 1.00 61.43 H new ATOM 1527 N LEU A 492 1.370 -14.163 5.666 1.00 4.33 N ATOM 1528 CA LEU A 492 1.440 -15.582 5.965 1.00 21.45 C ATOM 1529 C LEU A 492 0.116 -16.036 6.583 1.00 11.00 C ATOM 1530 O LEU A 492 -0.265 -17.198 6.459 1.00 15.44 O ATOM 1531 CB LEU A 492 2.662 -15.886 6.835 1.00 3.55 C ATOM 1532 CG LEU A 492 3.871 -14.971 6.637 1.00 32.42 C ATOM 1533 CD1 LEU A 492 4.008 -14.553 5.172 1.00 53.00 C ATOM 1534 CD2 LEU A 492 3.805 -13.764 7.574 1.00 50.52 C ATOM 0 H LEU A 492 1.955 -13.573 6.258 1.00 4.33 H new ATOM 0 HA LEU A 492 1.578 -16.158 5.050 1.00 21.45 H new ATOM 0 HB2 LEU A 492 2.360 -15.835 7.881 1.00 3.55 H new ATOM 0 HB3 LEU A 492 2.973 -16.913 6.643 1.00 3.55 H new ATOM 0 HG LEU A 492 4.769 -15.531 6.897 1.00 32.42 H new ATOM 0 HD11 LEU A 492 4.875 -13.903 5.059 1.00 53.00 H new ATOM 0 HD12 LEU A 492 4.136 -15.440 4.551 1.00 53.00 H new ATOM 0 HD13 LEU A 492 3.111 -14.018 4.861 1.00 53.00 H new ATOM 0 HD21 LEU A 492 4.677 -13.130 7.412 1.00 50.52 H new ATOM 0 HD22 LEU A 492 2.899 -13.194 7.370 1.00 50.52 H new ATOM 0 HD23 LEU A 492 3.793 -14.107 8.609 1.00 50.52 H new ATOM 1545 N GLU A 493 -0.547 -15.094 7.237 1.00 44.44 N ATOM 1546 CA GLU A 493 -1.820 -15.381 7.876 1.00 14.22 C ATOM 1547 C GLU A 493 -2.886 -15.688 6.821 1.00 54.53 C ATOM 1548 O GLU A 493 -3.832 -16.428 7.087 1.00 13.42 O ATOM 1549 CB GLU A 493 -2.257 -14.223 8.775 1.00 3.21 C ATOM 1550 CG GLU A 493 -1.636 -14.346 10.168 1.00 21.14 C ATOM 1551 CD GLU A 493 -2.269 -15.498 10.951 1.00 71.21 C ATOM 1552 OE1 GLU A 493 -3.455 -15.802 10.755 1.00 22.41 O ATOM 1553 OE2 GLU A 493 -1.483 -16.086 11.787 1.00 64.02 O ATOM 0 H GLU A 493 -0.227 -14.131 7.338 1.00 44.44 H new ATOM 0 HA GLU A 493 -1.696 -16.261 8.508 1.00 14.22 H new ATOM 0 HB2 GLU A 493 -1.962 -13.276 8.324 1.00 3.21 H new ATOM 0 HB3 GLU A 493 -3.344 -14.212 8.857 1.00 3.21 H new ATOM 0 HG2 GLU A 493 -0.562 -14.510 10.078 1.00 21.14 H new ATOM 0 HG3 GLU A 493 -1.772 -13.413 10.714 1.00 21.14 H new ATOM 1559 N SER A 494 -2.696 -15.105 5.647 1.00 42.24 N ATOM 1560 CA SER A 494 -3.628 -15.306 4.551 1.00 42.42 C ATOM 1561 C SER A 494 -2.919 -15.987 3.379 1.00 62.01 C ATOM 1562 O SER A 494 -1.711 -16.211 3.426 1.00 34.22 O ATOM 1563 CB SER A 494 -4.244 -13.979 4.101 1.00 23.35 C ATOM 1564 OG SER A 494 -5.203 -13.492 5.034 1.00 62.43 O ATOM 0 H SER A 494 -1.909 -14.493 5.431 1.00 42.24 H new ATOM 0 HA SER A 494 -4.435 -15.949 4.902 1.00 42.42 H new ATOM 0 HB2 SER A 494 -3.455 -13.238 3.972 1.00 23.35 H new ATOM 0 HB3 SER A 494 -4.719 -14.111 3.129 1.00 23.35 H new ATOM 0 HG SER A 494 -4.741 -13.056 5.781 1.00 62.43 H new ATOM 1569 N SER A 495 -3.701 -16.298 2.357 1.00 35.53 N ATOM 1570 CA SER A 495 -3.164 -16.950 1.174 1.00 33.42 C ATOM 1571 C SER A 495 -3.932 -16.497 -0.068 1.00 12.33 C ATOM 1572 O SER A 495 -5.008 -15.910 0.041 1.00 22.04 O ATOM 1573 CB SER A 495 -3.222 -18.473 1.308 1.00 45.11 C ATOM 1574 OG SER A 495 -1.940 -19.036 1.570 1.00 51.02 O ATOM 0 H SER A 495 -4.703 -16.111 2.323 1.00 35.53 H new ATOM 0 HA SER A 495 -2.118 -16.662 1.072 1.00 33.42 H new ATOM 0 HB2 SER A 495 -3.906 -18.740 2.113 1.00 45.11 H new ATOM 0 HB3 SER A 495 -3.626 -18.902 0.391 1.00 45.11 H new ATOM 0 HG SER A 495 -2.020 -20.009 1.650 1.00 51.02 H new ATOM 1579 N PRO A 496 -3.334 -16.794 -1.254 1.00 52.40 N ATOM 1580 CA PRO A 496 -3.952 -16.424 -2.517 1.00 62.20 C ATOM 1581 C PRO A 496 -5.131 -17.343 -2.841 1.00 61.42 C ATOM 1582 O PRO A 496 -6.091 -16.922 -3.484 1.00 32.12 O ATOM 1583 CB PRO A 496 -2.832 -16.508 -3.541 1.00 21.13 C ATOM 1584 CG PRO A 496 -1.751 -17.366 -2.907 1.00 31.22 C ATOM 1585 CD PRO A 496 -2.061 -17.487 -1.424 1.00 24.22 C ATOM 0 HA PRO A 496 -4.382 -15.423 -2.498 1.00 62.20 H new ATOM 0 HB2 PRO A 496 -3.186 -16.951 -4.472 1.00 21.13 H new ATOM 0 HB3 PRO A 496 -2.451 -15.516 -3.785 1.00 21.13 H new ATOM 0 HG2 PRO A 496 -1.724 -18.351 -3.373 1.00 31.22 H new ATOM 0 HG3 PRO A 496 -0.770 -16.915 -3.056 1.00 31.22 H new ATOM 0 HD2 PRO A 496 -2.134 -18.531 -1.119 1.00 24.22 H new ATOM 0 HD3 PRO A 496 -1.278 -17.032 -0.817 1.00 24.22 H new ATOM 1590 N ALA A 497 -5.020 -18.580 -2.381 1.00 43.11 N ATOM 1591 CA ALA A 497 -6.065 -19.562 -2.614 1.00 21.14 C ATOM 1592 C ALA A 497 -7.335 -19.134 -1.877 1.00 64.13 C ATOM 1593 O ALA A 497 -8.444 -19.423 -2.323 1.00 53.03 O ATOM 1594 CB ALA A 497 -5.574 -20.944 -2.176 1.00 74.34 C ATOM 0 H ALA A 497 -4.222 -18.925 -1.848 1.00 43.11 H new ATOM 0 HA ALA A 497 -6.305 -19.622 -3.676 1.00 21.14 H new ATOM 0 HB1 ALA A 497 -6.358 -21.681 -2.351 1.00 74.34 H new ATOM 0 HB2 ALA A 497 -4.688 -21.214 -2.750 1.00 74.34 H new ATOM 0 HB3 ALA A 497 -5.326 -20.923 -1.115 1.00 74.34 H new ATOM 1600 N GLN A 498 -7.130 -18.453 -0.759 1.00 75.42 N ATOM 1601 CA GLN A 498 -8.245 -17.981 0.044 1.00 24.23 C ATOM 1602 C GLN A 498 -8.968 -16.839 -0.668 1.00 53.11 C ATOM 1603 O GLN A 498 -10.009 -16.373 -0.206 1.00 52.11 O ATOM 1604 CB GLN A 498 -7.775 -17.550 1.436 1.00 55.33 C ATOM 1605 CG GLN A 498 -6.598 -18.406 1.906 1.00 40.14 C ATOM 1606 CD GLN A 498 -6.586 -18.531 3.432 1.00 11.04 C ATOM 1607 OE1 GLN A 498 -6.149 -17.648 4.150 1.00 75.55 O ATOM 1608 NE2 GLN A 498 -7.092 -19.675 3.885 1.00 21.52 N ATOM 0 H GLN A 498 -6.209 -18.217 -0.391 1.00 75.42 H new ATOM 0 HA GLN A 498 -8.948 -18.804 0.172 1.00 24.23 H new ATOM 0 HB2 GLN A 498 -7.481 -16.501 1.416 1.00 55.33 H new ATOM 0 HB3 GLN A 498 -8.598 -17.637 2.145 1.00 55.33 H new ATOM 0 HG2 GLN A 498 -6.662 -19.397 1.457 1.00 40.14 H new ATOM 0 HG3 GLN A 498 -5.662 -17.962 1.566 1.00 40.14 H new ATOM 0 HE21 GLN A 498 -7.441 -20.373 3.229 1.00 21.52 H new ATOM 0 HE22 GLN A 498 -7.130 -19.854 4.888 1.00 21.52 H new ATOM 1615 N LEU A 499 -8.389 -16.418 -1.783 1.00 4.15 N ATOM 1616 CA LEU A 499 -8.965 -15.337 -2.566 1.00 52.12 C ATOM 1617 C LEU A 499 -9.754 -15.926 -3.738 1.00 64.30 C ATOM 1618 O LEU A 499 -9.586 -17.096 -4.077 1.00 11.14 O ATOM 1619 CB LEU A 499 -7.881 -14.345 -2.991 1.00 23.41 C ATOM 1620 CG LEU A 499 -6.835 -13.998 -1.928 1.00 43.31 C ATOM 1621 CD1 LEU A 499 -5.836 -12.968 -2.458 1.00 2.24 C ATOM 1622 CD2 LEU A 499 -7.504 -13.534 -0.633 1.00 22.13 C ATOM 0 H LEU A 499 -7.526 -16.806 -2.163 1.00 4.15 H new ATOM 0 HA LEU A 499 -9.669 -14.764 -1.963 1.00 52.12 H new ATOM 0 HB2 LEU A 499 -7.365 -14.752 -3.861 1.00 23.41 H new ATOM 0 HB3 LEU A 499 -8.366 -13.422 -3.310 1.00 23.41 H new ATOM 0 HG LEU A 499 -6.272 -14.902 -1.694 1.00 43.31 H new ATOM 0 HD11 LEU A 499 -5.104 -12.739 -1.683 1.00 2.24 H new ATOM 0 HD12 LEU A 499 -5.325 -13.373 -3.332 1.00 2.24 H new ATOM 0 HD13 LEU A 499 -6.366 -12.057 -2.737 1.00 2.24 H new ATOM 0 HD21 LEU A 499 -6.739 -13.294 0.106 1.00 22.13 H new ATOM 0 HD22 LEU A 499 -8.107 -12.648 -0.832 1.00 22.13 H new ATOM 0 HD23 LEU A 499 -8.143 -14.329 -0.248 1.00 22.13 H new ATOM 1633 N SER A 500 -10.596 -15.087 -4.323 1.00 65.22 N ATOM 1634 CA SER A 500 -11.411 -15.510 -5.450 1.00 63.41 C ATOM 1635 C SER A 500 -10.518 -16.069 -6.560 1.00 2.34 C ATOM 1636 O SER A 500 -9.298 -16.117 -6.415 1.00 72.32 O ATOM 1637 CB SER A 500 -12.258 -14.352 -5.981 1.00 21.35 C ATOM 1638 OG SER A 500 -12.944 -13.668 -4.935 1.00 11.04 O ATOM 0 H SER A 500 -10.732 -14.117 -4.038 1.00 65.22 H new ATOM 0 HA SER A 500 -12.088 -16.293 -5.109 1.00 63.41 H new ATOM 0 HB2 SER A 500 -11.618 -13.649 -6.514 1.00 21.35 H new ATOM 0 HB3 SER A 500 -12.982 -14.733 -6.701 1.00 21.35 H new ATOM 0 HG SER A 500 -13.472 -12.935 -5.315 1.00 11.04 H new ATOM 1643 N SER A 501 -11.163 -16.478 -7.644 1.00 63.35 N ATOM 1644 CA SER A 501 -10.442 -17.030 -8.778 1.00 4.44 C ATOM 1645 C SER A 501 -9.983 -15.904 -9.706 1.00 64.31 C ATOM 1646 O SER A 501 -9.028 -16.070 -10.463 1.00 15.54 O ATOM 1647 CB SER A 501 -11.309 -18.031 -9.546 1.00 43.45 C ATOM 1648 OG SER A 501 -10.535 -18.852 -10.413 1.00 15.23 O ATOM 0 H SER A 501 -12.176 -16.438 -7.760 1.00 63.35 H new ATOM 0 HA SER A 501 -9.567 -17.560 -8.402 1.00 4.44 H new ATOM 0 HB2 SER A 501 -11.850 -18.660 -8.839 1.00 43.45 H new ATOM 0 HB3 SER A 501 -12.056 -17.492 -10.129 1.00 43.45 H new ATOM 0 HG SER A 501 -11.124 -19.478 -10.883 1.00 15.23 H new ATOM 1653 N ASP A 502 -10.683 -14.783 -9.615 1.00 74.22 N ATOM 1654 CA ASP A 502 -10.358 -13.630 -10.437 1.00 52.34 C ATOM 1655 C ASP A 502 -9.127 -12.929 -9.861 1.00 42.33 C ATOM 1656 O ASP A 502 -8.319 -12.373 -10.604 1.00 2.32 O ATOM 1657 CB ASP A 502 -11.511 -12.623 -10.454 1.00 4.54 C ATOM 1658 CG ASP A 502 -11.217 -11.315 -11.191 1.00 0.21 C ATOM 1659 OD1 ASP A 502 -11.809 -10.267 -10.893 1.00 23.30 O ATOM 1660 OD2 ASP A 502 -10.324 -11.401 -12.119 1.00 42.52 O ATOM 0 H ASP A 502 -11.474 -14.649 -8.985 1.00 74.22 H new ATOM 0 HA ASP A 502 -10.171 -13.981 -11.452 1.00 52.34 H new ATOM 0 HB2 ASP A 502 -12.379 -13.095 -10.915 1.00 4.54 H new ATOM 0 HB3 ASP A 502 -11.784 -12.389 -9.425 1.00 4.54 H new ATOM 1665 N THR A 503 -9.021 -12.976 -8.541 1.00 75.11 N ATOM 1666 CA THR A 503 -7.901 -12.353 -7.855 1.00 14.41 C ATOM 1667 C THR A 503 -6.593 -12.657 -8.587 1.00 14.23 C ATOM 1668 O THR A 503 -5.769 -11.767 -8.789 1.00 1.10 O ATOM 1669 CB THR A 503 -7.911 -12.830 -6.402 1.00 61.33 C ATOM 1670 OG1 THR A 503 -8.688 -11.850 -5.720 1.00 52.11 O ATOM 1671 CG2 THR A 503 -6.533 -12.734 -5.746 1.00 13.13 C ATOM 0 H THR A 503 -9.693 -13.436 -7.927 1.00 75.11 H new ATOM 0 HA THR A 503 -7.991 -11.267 -7.854 1.00 14.41 H new ATOM 0 HB THR A 503 -8.262 -13.861 -6.361 1.00 61.33 H new ATOM 0 HG1 THR A 503 -8.119 -11.364 -5.087 1.00 52.11 H new ATOM 0 HG21 THR A 503 -6.595 -13.085 -4.716 1.00 13.13 H new ATOM 0 HG22 THR A 503 -5.824 -13.351 -6.297 1.00 13.13 H new ATOM 0 HG23 THR A 503 -6.196 -11.697 -5.757 1.00 13.13 H new ATOM 1679 N ALA A 504 -6.442 -13.919 -8.964 1.00 25.11 N ATOM 1680 CA ALA A 504 -5.248 -14.352 -9.668 1.00 42.31 C ATOM 1681 C ALA A 504 -5.101 -13.544 -10.959 1.00 23.23 C ATOM 1682 O ALA A 504 -3.988 -13.197 -11.355 1.00 13.41 O ATOM 1683 CB ALA A 504 -5.326 -15.858 -9.927 1.00 13.04 C ATOM 0 H ALA A 504 -7.128 -14.655 -8.795 1.00 25.11 H new ATOM 0 HA ALA A 504 -4.359 -14.171 -9.064 1.00 42.31 H new ATOM 0 HB1 ALA A 504 -4.430 -16.183 -10.455 1.00 13.04 H new ATOM 0 HB2 ALA A 504 -5.399 -16.387 -8.977 1.00 13.04 H new ATOM 0 HB3 ALA A 504 -6.205 -16.078 -10.533 1.00 13.04 H new ATOM 1689 N SER A 505 -6.238 -13.268 -11.579 1.00 41.01 N ATOM 1690 CA SER A 505 -6.250 -12.508 -12.818 1.00 20.44 C ATOM 1691 C SER A 505 -6.174 -11.010 -12.513 1.00 31.11 C ATOM 1692 O SER A 505 -5.828 -10.213 -13.383 1.00 1.31 O ATOM 1693 CB SER A 505 -7.500 -12.819 -13.644 1.00 25.13 C ATOM 1694 OG SER A 505 -7.282 -12.618 -15.038 1.00 4.12 O ATOM 0 H SER A 505 -7.158 -13.557 -11.247 1.00 41.01 H new ATOM 0 HA SER A 505 -5.379 -12.798 -13.405 1.00 20.44 H new ATOM 0 HB2 SER A 505 -7.802 -13.852 -13.469 1.00 25.13 H new ATOM 0 HB3 SER A 505 -8.322 -12.186 -13.310 1.00 25.13 H new ATOM 0 HG SER A 505 -8.102 -12.828 -15.531 1.00 4.12 H new ATOM 1699 N LEU A 506 -6.505 -10.675 -11.275 1.00 31.11 N ATOM 1700 CA LEU A 506 -6.479 -9.287 -10.845 1.00 43.12 C ATOM 1701 C LEU A 506 -5.025 -8.823 -10.720 1.00 13.41 C ATOM 1702 O LEU A 506 -4.700 -7.693 -11.078 1.00 73.13 O ATOM 1703 CB LEU A 506 -7.293 -9.110 -9.561 1.00 55.24 C ATOM 1704 CG LEU A 506 -8.797 -9.357 -9.681 1.00 23.24 C ATOM 1705 CD1 LEU A 506 -9.460 -9.389 -8.302 1.00 51.10 C ATOM 1706 CD2 LEU A 506 -9.451 -8.329 -10.607 1.00 1.34 C ATOM 0 H LEU A 506 -6.792 -11.340 -10.557 1.00 31.11 H new ATOM 0 HA LEU A 506 -6.955 -8.648 -11.589 1.00 43.12 H new ATOM 0 HB2 LEU A 506 -6.893 -9.786 -8.805 1.00 55.24 H new ATOM 0 HB3 LEU A 506 -7.140 -8.095 -9.194 1.00 55.24 H new ATOM 0 HG LEU A 506 -8.946 -10.338 -10.133 1.00 23.24 H new ATOM 0 HD11 LEU A 506 -10.529 -9.566 -8.416 1.00 51.10 H new ATOM 0 HD12 LEU A 506 -9.021 -10.189 -7.706 1.00 51.10 H new ATOM 0 HD13 LEU A 506 -9.302 -8.434 -7.800 1.00 51.10 H new ATOM 0 HD21 LEU A 506 -10.521 -8.528 -10.674 1.00 1.34 H new ATOM 0 HD22 LEU A 506 -9.293 -7.327 -10.208 1.00 1.34 H new ATOM 0 HD23 LEU A 506 -9.006 -8.398 -11.600 1.00 1.34 H new ATOM 1717 N LEU A 507 -4.193 -9.719 -10.212 1.00 62.10 N ATOM 1718 CA LEU A 507 -2.784 -9.415 -10.036 1.00 21.55 C ATOM 1719 C LEU A 507 -1.944 -10.490 -10.732 1.00 51.40 C ATOM 1720 O LEU A 507 -0.798 -10.727 -10.356 1.00 5.20 O ATOM 1721 CB LEU A 507 -2.452 -9.243 -8.553 1.00 45.33 C ATOM 1722 CG LEU A 507 -2.852 -10.401 -7.636 1.00 42.20 C ATOM 1723 CD1 LEU A 507 -4.320 -10.286 -7.215 1.00 33.40 C ATOM 1724 CD2 LEU A 507 -2.549 -11.749 -8.293 1.00 30.14 C ATOM 0 H LEU A 507 -4.468 -10.656 -9.917 1.00 62.10 H new ATOM 0 HA LEU A 507 -2.540 -8.462 -10.506 1.00 21.55 H new ATOM 0 HB2 LEU A 507 -1.378 -9.085 -8.458 1.00 45.33 H new ATOM 0 HB3 LEU A 507 -2.940 -8.337 -8.195 1.00 45.33 H new ATOM 0 HG LEU A 507 -2.251 -10.342 -6.729 1.00 42.20 H new ATOM 0 HD11 LEU A 507 -4.578 -11.121 -6.564 1.00 33.40 H new ATOM 0 HD12 LEU A 507 -4.473 -9.348 -6.680 1.00 33.40 H new ATOM 0 HD13 LEU A 507 -4.955 -10.306 -8.101 1.00 33.40 H new ATOM 0 HD21 LEU A 507 -2.842 -12.555 -7.621 1.00 30.14 H new ATOM 0 HD22 LEU A 507 -3.107 -11.833 -9.226 1.00 30.14 H new ATOM 0 HD23 LEU A 507 -1.481 -11.821 -8.501 1.00 30.14 H new ATOM 1735 N SER A 508 -2.550 -11.111 -11.733 1.00 74.20 N ATOM 1736 CA SER A 508 -1.873 -12.154 -12.486 1.00 24.23 C ATOM 1737 C SER A 508 -0.541 -11.630 -13.026 1.00 21.24 C ATOM 1738 O SER A 508 0.418 -12.388 -13.163 1.00 61.13 O ATOM 1739 CB SER A 508 -2.748 -12.662 -13.632 1.00 12.33 C ATOM 1740 OG SER A 508 -2.018 -12.781 -14.850 1.00 73.54 O ATOM 0 H SER A 508 -3.502 -10.912 -12.040 1.00 74.20 H new ATOM 0 HA SER A 508 -1.681 -12.990 -11.814 1.00 24.23 H new ATOM 0 HB2 SER A 508 -3.168 -13.632 -13.365 1.00 12.33 H new ATOM 0 HB3 SER A 508 -3.586 -11.981 -13.777 1.00 12.33 H new ATOM 0 HG SER A 508 -2.612 -13.110 -15.557 1.00 73.54 H new ATOM 1745 N GLY A 509 -0.525 -10.338 -13.318 1.00 33.01 N ATOM 1746 CA GLY A 509 0.673 -9.703 -13.840 1.00 63.21 C ATOM 1747 C GLY A 509 1.390 -8.904 -12.750 1.00 71.00 C ATOM 1748 O GLY A 509 2.613 -8.773 -12.773 1.00 13.30 O ATOM 0 H GLY A 509 -1.323 -9.713 -13.203 1.00 33.01 H new ATOM 0 HA2 GLY A 509 1.345 -10.461 -14.242 1.00 63.21 H new ATOM 0 HA3 GLY A 509 0.408 -9.042 -14.666 1.00 63.21 H new ATOM 1752 N LEU A 510 0.598 -8.389 -11.822 1.00 44.00 N ATOM 1753 CA LEU A 510 1.142 -7.606 -10.725 1.00 51.32 C ATOM 1754 C LEU A 510 2.156 -8.451 -9.953 1.00 34.12 C ATOM 1755 O LEU A 510 2.035 -9.673 -9.895 1.00 25.14 O ATOM 1756 CB LEU A 510 0.013 -7.051 -9.852 1.00 43.12 C ATOM 1757 CG LEU A 510 -0.546 -5.687 -10.264 1.00 22.51 C ATOM 1758 CD1 LEU A 510 -1.949 -5.475 -9.694 1.00 10.24 C ATOM 1759 CD2 LEU A 510 0.411 -4.562 -9.866 1.00 42.42 C ATOM 0 H LEU A 510 -0.416 -8.498 -11.807 1.00 44.00 H new ATOM 0 HA LEU A 510 1.677 -6.737 -11.107 1.00 51.32 H new ATOM 0 HB2 LEU A 510 -0.805 -7.771 -9.850 1.00 43.12 H new ATOM 0 HB3 LEU A 510 0.376 -6.978 -8.827 1.00 43.12 H new ATOM 0 HG LEU A 510 -0.634 -5.666 -11.350 1.00 22.51 H new ATOM 0 HD11 LEU A 510 -2.323 -4.498 -10.002 1.00 10.24 H new ATOM 0 HD12 LEU A 510 -2.615 -6.253 -10.068 1.00 10.24 H new ATOM 0 HD13 LEU A 510 -1.911 -5.522 -8.606 1.00 10.24 H new ATOM 0 HD21 LEU A 510 -0.009 -3.603 -10.170 1.00 42.42 H new ATOM 0 HD22 LEU A 510 0.553 -4.570 -8.785 1.00 42.42 H new ATOM 0 HD23 LEU A 510 1.372 -4.710 -10.359 1.00 42.42 H new ATOM 1770 N VAL A 511 3.136 -7.766 -9.381 1.00 33.05 N ATOM 1771 CA VAL A 511 4.172 -8.440 -8.616 1.00 55.24 C ATOM 1772 C VAL A 511 3.609 -8.848 -7.253 1.00 22.52 C ATOM 1773 O VAL A 511 3.390 -8.001 -6.388 1.00 14.12 O ATOM 1774 CB VAL A 511 5.408 -7.543 -8.508 1.00 42.31 C ATOM 1775 CG1 VAL A 511 6.356 -8.046 -7.418 1.00 0.02 C ATOM 1776 CG2 VAL A 511 6.127 -7.437 -9.854 1.00 54.42 C ATOM 0 H VAL A 511 3.234 -6.752 -9.432 1.00 33.05 H new ATOM 0 HA VAL A 511 4.490 -9.351 -9.122 1.00 55.24 H new ATOM 0 HB VAL A 511 5.074 -6.544 -8.227 1.00 42.31 H new ATOM 0 HG11 VAL A 511 7.226 -7.391 -7.362 1.00 0.02 H new ATOM 0 HG12 VAL A 511 5.839 -8.046 -6.458 1.00 0.02 H new ATOM 0 HG13 VAL A 511 6.679 -9.059 -7.656 1.00 0.02 H new ATOM 0 HG21 VAL A 511 7.001 -6.794 -9.750 1.00 54.42 H new ATOM 0 HG22 VAL A 511 6.442 -8.429 -10.177 1.00 54.42 H new ATOM 0 HG23 VAL A 511 5.450 -7.012 -10.595 1.00 54.42 H new ATOM 1786 N ARG A 512 3.390 -10.147 -7.104 1.00 55.13 N ATOM 1787 CA ARG A 512 2.858 -10.678 -5.862 1.00 51.22 C ATOM 1788 C ARG A 512 3.898 -10.566 -4.747 1.00 64.31 C ATOM 1789 O ARG A 512 4.981 -11.144 -4.844 1.00 25.23 O ATOM 1790 CB ARG A 512 2.445 -12.143 -6.022 1.00 53.32 C ATOM 1791 CG ARG A 512 1.359 -12.520 -5.010 1.00 34.32 C ATOM 1792 CD ARG A 512 0.321 -13.447 -5.644 1.00 5.33 C ATOM 1793 NE ARG A 512 0.997 -14.549 -6.365 1.00 53.42 N ATOM 1794 CZ ARG A 512 0.415 -15.291 -7.330 1.00 52.10 C ATOM 1795 NH1 ARG A 512 -0.863 -15.057 -7.699 1.00 25.34 N ATOM 1796 NH2 ARG A 512 1.113 -16.251 -7.909 1.00 72.35 N ATOM 0 H ARG A 512 3.572 -10.847 -7.824 1.00 55.13 H new ATOM 0 HA ARG A 512 1.978 -10.091 -5.601 1.00 51.22 H new ATOM 0 HB2 ARG A 512 2.079 -12.313 -7.034 1.00 53.32 H new ATOM 0 HB3 ARG A 512 3.314 -12.787 -5.885 1.00 53.32 H new ATOM 0 HG2 ARG A 512 1.813 -13.011 -4.149 1.00 34.32 H new ATOM 0 HG3 ARG A 512 0.870 -11.618 -4.642 1.00 34.32 H new ATOM 0 HD2 ARG A 512 -0.334 -13.854 -4.873 1.00 5.33 H new ATOM 0 HD3 ARG A 512 -0.309 -12.884 -6.333 1.00 5.33 H new ATOM 0 HE ARG A 512 1.963 -14.761 -6.117 1.00 53.42 H new ATOM 0 HH11 ARG A 512 -1.396 -14.314 -7.247 1.00 25.34 H new ATOM 0 HH12 ARG A 512 -1.295 -15.623 -8.430 1.00 25.34 H new ATOM 0 HH21 ARG A 512 2.078 -16.423 -7.625 1.00 72.35 H new ATOM 0 HH22 ARG A 512 0.688 -16.821 -8.640 1.00 72.35 H new ATOM 1806 N LEU A 513 3.535 -9.820 -3.714 1.00 22.32 N ATOM 1807 CA LEU A 513 4.426 -9.628 -2.582 1.00 41.42 C ATOM 1808 C LEU A 513 3.977 -10.525 -1.426 1.00 61.25 C ATOM 1809 O LEU A 513 2.781 -10.714 -1.211 1.00 33.22 O ATOM 1810 CB LEU A 513 4.507 -8.145 -2.212 1.00 74.24 C ATOM 1811 CG LEU A 513 5.917 -7.562 -2.086 1.00 44.14 C ATOM 1812 CD1 LEU A 513 6.801 -8.006 -3.252 1.00 13.50 C ATOM 1813 CD2 LEU A 513 5.870 -6.039 -1.948 1.00 55.30 C ATOM 0 H LEU A 513 2.637 -9.342 -3.637 1.00 22.32 H new ATOM 0 HA LEU A 513 5.442 -9.926 -2.842 1.00 41.42 H new ATOM 0 HB2 LEU A 513 3.964 -7.573 -2.964 1.00 74.24 H new ATOM 0 HB3 LEU A 513 3.988 -7.998 -1.265 1.00 74.24 H new ATOM 0 HG LEU A 513 6.368 -7.954 -1.174 1.00 44.14 H new ATOM 0 HD11 LEU A 513 7.797 -7.578 -3.137 1.00 13.50 H new ATOM 0 HD12 LEU A 513 6.873 -9.094 -3.261 1.00 13.50 H new ATOM 0 HD13 LEU A 513 6.365 -7.664 -4.190 1.00 13.50 H new ATOM 0 HD21 LEU A 513 6.884 -5.650 -1.860 1.00 55.30 H new ATOM 0 HD22 LEU A 513 5.391 -5.609 -2.828 1.00 55.30 H new ATOM 0 HD23 LEU A 513 5.301 -5.772 -1.058 1.00 55.30 H new ATOM 1824 N ASP A 514 4.961 -11.053 -0.713 1.00 13.24 N ATOM 1825 CA ASP A 514 4.683 -11.927 0.414 1.00 15.23 C ATOM 1826 C ASP A 514 5.727 -11.690 1.507 1.00 73.03 C ATOM 1827 O ASP A 514 6.745 -11.041 1.268 1.00 61.14 O ATOM 1828 CB ASP A 514 4.755 -13.398 0.002 1.00 53.24 C ATOM 1829 CG ASP A 514 3.637 -13.865 -0.931 1.00 55.21 C ATOM 1830 OD1 ASP A 514 3.161 -15.005 -0.838 1.00 21.10 O ATOM 1831 OD2 ASP A 514 3.248 -12.990 -1.796 1.00 43.41 O ATOM 0 H ASP A 514 5.952 -10.892 -0.894 1.00 13.24 H new ATOM 0 HA ASP A 514 3.679 -11.703 0.774 1.00 15.23 H new ATOM 0 HB2 ASP A 514 5.713 -13.576 -0.486 1.00 53.24 H new ATOM 0 HB3 ASP A 514 4.737 -14.013 0.902 1.00 53.24 H new ATOM 1836 N GLU A 515 5.440 -12.229 2.682 1.00 53.04 N ATOM 1837 CA GLU A 515 6.341 -12.083 3.813 1.00 70.00 C ATOM 1838 C GLU A 515 7.061 -13.404 4.090 1.00 14.24 C ATOM 1839 O GLU A 515 7.934 -13.470 4.954 1.00 64.14 O ATOM 1840 CB GLU A 515 5.590 -11.596 5.054 1.00 23.54 C ATOM 1841 CG GLU A 515 6.526 -11.507 6.261 1.00 52.31 C ATOM 1842 CD GLU A 515 6.358 -12.721 7.177 1.00 41.23 C ATOM 1843 OE1 GLU A 515 6.330 -13.862 6.695 1.00 10.25 O ATOM 1844 OE2 GLU A 515 6.258 -12.444 8.434 1.00 4.14 O ATOM 0 H GLU A 515 4.596 -12.768 2.876 1.00 53.04 H new ATOM 0 HA GLU A 515 7.088 -11.329 3.563 1.00 70.00 H new ATOM 0 HB2 GLU A 515 5.151 -10.618 4.857 1.00 23.54 H new ATOM 0 HB3 GLU A 515 4.768 -12.276 5.276 1.00 23.54 H new ATOM 0 HG2 GLU A 515 7.559 -11.445 5.920 1.00 52.31 H new ATOM 0 HG3 GLU A 515 6.319 -10.594 6.820 1.00 52.31 H new ATOM 1850 N HIS A 516 6.669 -14.424 3.341 1.00 62.12 N ATOM 1851 CA HIS A 516 7.265 -15.740 3.496 1.00 63.33 C ATOM 1852 C HIS A 516 8.121 -16.062 2.269 1.00 4.14 C ATOM 1853 O HIS A 516 8.244 -17.222 1.881 1.00 32.43 O ATOM 1854 CB HIS A 516 6.192 -16.796 3.764 1.00 52.10 C ATOM 1855 CG HIS A 516 5.063 -16.792 2.761 1.00 74.00 C ATOM 1856 ND1 HIS A 516 3.786 -17.231 3.068 1.00 51.03 N ATOM 1857 CD2 HIS A 516 5.032 -16.399 1.455 1.00 60.33 C ATOM 1858 CE1 HIS A 516 3.029 -17.103 1.988 1.00 74.44 C ATOM 1859 NE2 HIS A 516 3.803 -16.588 0.989 1.00 73.42 N ATOM 0 H HIS A 516 5.945 -14.366 2.625 1.00 62.12 H new ATOM 0 HA HIS A 516 7.921 -15.746 4.366 1.00 63.33 H new ATOM 0 HB2 HIS A 516 6.659 -17.781 3.767 1.00 52.10 H new ATOM 0 HB3 HIS A 516 5.780 -16.636 4.760 1.00 52.10 H new ATOM 0 HD2 HIS A 516 5.866 -16.002 0.895 1.00 60.33 H new ATOM 0 HE1 HIS A 516 1.983 -17.361 1.912 1.00 74.44 H new ATOM 0 HE2 HIS A 516 3.489 -16.382 0.041 1.00 73.42 H new ATOM 1866 N SER A 517 8.689 -15.013 1.692 1.00 32.34 N ATOM 1867 CA SER A 517 9.530 -15.170 0.516 1.00 2.45 C ATOM 1868 C SER A 517 10.922 -14.596 0.788 1.00 53.53 C ATOM 1869 O SER A 517 11.049 -13.465 1.254 1.00 25.42 O ATOM 1870 CB SER A 517 8.903 -14.491 -0.703 1.00 42.33 C ATOM 1871 OG SER A 517 9.333 -15.086 -1.926 1.00 42.32 O ATOM 0 H SER A 517 8.584 -14.052 2.016 1.00 32.34 H new ATOM 0 HA SER A 517 9.620 -16.234 0.298 1.00 2.45 H new ATOM 0 HB2 SER A 517 7.817 -14.551 -0.633 1.00 42.33 H new ATOM 0 HB3 SER A 517 9.164 -13.433 -0.703 1.00 42.33 H new ATOM 0 HG SER A 517 8.909 -14.626 -2.680 1.00 42.32 H new ATOM 1876 N GLN A 518 11.928 -15.401 0.483 1.00 22.21 N ATOM 1877 CA GLN A 518 13.306 -14.987 0.689 1.00 11.10 C ATOM 1878 C GLN A 518 13.738 -14.018 -0.414 1.00 31.53 C ATOM 1879 O GLN A 518 14.864 -13.521 -0.401 1.00 62.23 O ATOM 1880 CB GLN A 518 14.239 -16.198 0.753 1.00 33.13 C ATOM 1881 CG GLN A 518 14.384 -16.850 -0.624 1.00 60.40 C ATOM 1882 CD GLN A 518 15.608 -16.303 -1.363 1.00 14.13 C ATOM 1883 OE1 GLN A 518 16.647 -16.033 -0.783 1.00 64.14 O ATOM 1884 NE2 GLN A 518 15.427 -16.156 -2.673 1.00 73.22 N ATOM 0 H GLN A 518 11.817 -16.338 0.095 1.00 22.21 H new ATOM 0 HA GLN A 518 13.371 -14.470 1.646 1.00 11.10 H new ATOM 0 HB2 GLN A 518 15.218 -15.889 1.118 1.00 33.13 H new ATOM 0 HB3 GLN A 518 13.849 -16.925 1.465 1.00 33.13 H new ATOM 0 HG2 GLN A 518 14.475 -17.930 -0.511 1.00 60.40 H new ATOM 0 HG3 GLN A 518 13.486 -16.666 -1.214 1.00 60.40 H new ATOM 0 HE21 GLN A 518 14.531 -16.401 -3.095 1.00 73.22 H new ATOM 0 HE22 GLN A 518 16.184 -15.798 -3.255 1.00 73.22 H new ATOM 1891 N ILE A 519 12.822 -13.779 -1.340 1.00 61.31 N ATOM 1892 CA ILE A 519 13.095 -12.878 -2.447 1.00 51.10 C ATOM 1893 C ILE A 519 12.291 -11.591 -2.262 1.00 2.41 C ATOM 1894 O ILE A 519 12.689 -10.530 -2.742 1.00 21.03 O ATOM 1895 CB ILE A 519 12.838 -13.578 -3.783 1.00 32.20 C ATOM 1896 CG1 ILE A 519 12.142 -12.637 -4.769 1.00 60.43 C ATOM 1897 CG2 ILE A 519 12.053 -14.876 -3.580 1.00 53.32 C ATOM 1898 CD1 ILE A 519 13.094 -11.533 -5.237 1.00 40.42 C ATOM 0 H ILE A 519 11.890 -14.193 -1.347 1.00 61.31 H new ATOM 0 HA ILE A 519 14.148 -12.597 -2.458 1.00 51.10 H new ATOM 0 HB ILE A 519 13.800 -13.848 -4.218 1.00 32.20 H new ATOM 0 HG12 ILE A 519 11.786 -13.204 -5.629 1.00 60.43 H new ATOM 0 HG13 ILE A 519 11.267 -12.191 -4.296 1.00 60.43 H new ATOM 0 HG21 ILE A 519 11.884 -15.354 -4.545 1.00 53.32 H new ATOM 0 HG22 ILE A 519 12.621 -15.548 -2.937 1.00 53.32 H new ATOM 0 HG23 ILE A 519 11.094 -14.652 -3.113 1.00 53.32 H new ATOM 0 HD11 ILE A 519 12.575 -10.878 -5.937 1.00 40.42 H new ATOM 0 HD12 ILE A 519 13.429 -10.953 -4.377 1.00 40.42 H new ATOM 0 HD13 ILE A 519 13.956 -11.981 -5.731 1.00 40.42 H new ATOM 1909 N PHE A 520 11.171 -11.725 -1.565 1.00 3.32 N ATOM 1910 CA PHE A 520 10.307 -10.586 -1.310 1.00 54.44 C ATOM 1911 C PHE A 520 11.128 -9.333 -0.997 1.00 32.02 C ATOM 1912 O PHE A 520 10.744 -8.226 -1.371 1.00 23.01 O ATOM 1913 CB PHE A 520 9.451 -10.937 -0.092 1.00 13.32 C ATOM 1914 CG PHE A 520 9.004 -9.723 0.726 1.00 32.23 C ATOM 1915 CD1 PHE A 520 8.386 -8.679 0.112 1.00 5.32 C ATOM 1916 CD2 PHE A 520 9.226 -9.689 2.068 1.00 72.44 C ATOM 1917 CE1 PHE A 520 7.971 -7.553 0.871 1.00 22.33 C ATOM 1918 CE2 PHE A 520 8.812 -8.562 2.826 1.00 65.04 C ATOM 1919 CZ PHE A 520 8.194 -7.518 2.213 1.00 1.55 C ATOM 0 H PHE A 520 10.843 -12.606 -1.169 1.00 3.32 H new ATOM 0 HA PHE A 520 9.698 -10.378 -2.190 1.00 54.44 H new ATOM 0 HB2 PHE A 520 8.568 -11.482 -0.426 1.00 13.32 H new ATOM 0 HB3 PHE A 520 10.015 -11.610 0.554 1.00 13.32 H new ATOM 0 HD1 PHE A 520 8.211 -8.706 -0.953 1.00 5.32 H new ATOM 0 HD2 PHE A 520 9.717 -10.518 2.556 1.00 72.44 H new ATOM 0 HE1 PHE A 520 7.479 -6.725 0.383 1.00 22.33 H new ATOM 0 HE2 PHE A 520 8.988 -8.534 3.891 1.00 65.04 H new ATOM 0 HZ PHE A 520 7.880 -6.661 2.791 1.00 1.55 H new ATOM 1928 N ALA A 521 12.243 -9.550 -0.315 1.00 52.15 N ATOM 1929 CA ALA A 521 13.120 -8.452 0.053 1.00 23.45 C ATOM 1930 C ALA A 521 13.532 -7.690 -1.208 1.00 65.01 C ATOM 1931 O ALA A 521 13.475 -6.462 -1.241 1.00 31.42 O ATOM 1932 CB ALA A 521 14.325 -8.999 0.824 1.00 20.22 C ATOM 0 H ALA A 521 12.559 -10.470 -0.008 1.00 52.15 H new ATOM 0 HA ALA A 521 12.604 -7.750 0.708 1.00 23.45 H new ATOM 0 HB1 ALA A 521 14.984 -8.176 1.101 1.00 20.22 H new ATOM 0 HB2 ALA A 521 13.981 -9.507 1.725 1.00 20.22 H new ATOM 0 HB3 ALA A 521 14.869 -9.704 0.196 1.00 20.22 H new ATOM 1938 N ARG A 522 13.937 -8.450 -2.215 1.00 20.31 N ATOM 1939 CA ARG A 522 14.358 -7.861 -3.474 1.00 31.42 C ATOM 1940 C ARG A 522 13.145 -7.348 -4.252 1.00 52.24 C ATOM 1941 O ARG A 522 13.282 -6.506 -5.138 1.00 1.10 O ATOM 1942 CB ARG A 522 15.112 -8.879 -4.333 1.00 33.23 C ATOM 1943 CG ARG A 522 16.476 -9.207 -3.724 1.00 3.14 C ATOM 1944 CD ARG A 522 16.335 -10.199 -2.566 1.00 53.11 C ATOM 1945 NE ARG A 522 17.668 -10.707 -2.171 1.00 3.54 N ATOM 1946 CZ ARG A 522 18.425 -11.522 -2.935 1.00 11.05 C ATOM 1947 NH1 ARG A 522 17.987 -11.927 -4.146 1.00 11.54 N ATOM 1948 NH2 ARG A 522 19.600 -11.916 -2.483 1.00 60.23 N ATOM 0 H ARG A 522 13.982 -9.469 -2.184 1.00 20.31 H new ATOM 0 HA ARG A 522 15.025 -7.030 -3.245 1.00 31.42 H new ATOM 0 HB2 ARG A 522 14.522 -9.791 -4.425 1.00 33.23 H new ATOM 0 HB3 ARG A 522 15.245 -8.483 -5.340 1.00 33.23 H new ATOM 0 HG2 ARG A 522 17.129 -9.626 -4.490 1.00 3.14 H new ATOM 0 HG3 ARG A 522 16.949 -8.292 -3.368 1.00 3.14 H new ATOM 0 HD2 ARG A 522 15.855 -9.713 -1.716 1.00 53.11 H new ATOM 0 HD3 ARG A 522 15.694 -11.029 -2.863 1.00 53.11 H new ATOM 0 HE ARG A 522 18.038 -10.423 -1.264 1.00 3.54 H new ATOM 0 HH11 ARG A 522 17.078 -11.617 -4.489 1.00 11.54 H new ATOM 0 HH12 ARG A 522 18.565 -12.543 -4.718 1.00 11.54 H new ATOM 0 HH21 ARG A 522 19.925 -11.605 -1.568 1.00 60.23 H new ATOM 0 HH22 ARG A 522 20.184 -12.532 -3.049 1.00 60.23 H new ATOM 1958 N LYS A 523 11.984 -7.876 -3.892 1.00 3.01 N ATOM 1959 CA LYS A 523 10.748 -7.482 -4.544 1.00 12.11 C ATOM 1960 C LYS A 523 10.345 -6.086 -4.064 1.00 25.32 C ATOM 1961 O LYS A 523 9.955 -5.239 -4.864 1.00 13.33 O ATOM 1962 CB LYS A 523 9.666 -8.542 -4.329 1.00 22.55 C ATOM 1963 CG LYS A 523 10.172 -9.931 -4.729 1.00 41.13 C ATOM 1964 CD LYS A 523 10.728 -9.922 -6.155 1.00 41.25 C ATOM 1965 CE LYS A 523 9.658 -9.486 -7.157 1.00 11.44 C ATOM 1966 NZ LYS A 523 10.107 -9.753 -8.542 1.00 34.15 N ATOM 0 H LYS A 523 11.874 -8.574 -3.156 1.00 3.01 H new ATOM 0 HA LYS A 523 10.890 -7.420 -5.623 1.00 12.11 H new ATOM 0 HB2 LYS A 523 9.362 -8.549 -3.282 1.00 22.55 H new ATOM 0 HB3 LYS A 523 8.783 -8.290 -4.916 1.00 22.55 H new ATOM 0 HG2 LYS A 523 10.948 -10.253 -4.034 1.00 41.13 H new ATOM 0 HG3 LYS A 523 9.359 -10.653 -4.656 1.00 41.13 H new ATOM 0 HD2 LYS A 523 11.582 -9.247 -6.212 1.00 41.25 H new ATOM 0 HD3 LYS A 523 11.090 -10.917 -6.414 1.00 41.25 H new ATOM 0 HE2 LYS A 523 8.728 -10.019 -6.960 1.00 11.44 H new ATOM 0 HE3 LYS A 523 9.448 -8.423 -7.035 1.00 11.44 H new ATOM 0 HZ1 LYS A 523 9.369 -9.451 -9.210 1.00 34.15 H new ATOM 0 HZ2 LYS A 523 10.983 -9.225 -8.731 1.00 34.15 H new ATOM 0 HZ3 LYS A 523 10.285 -10.771 -8.659 1.00 34.15 H new ATOM 1975 N VAL A 524 10.452 -5.891 -2.758 1.00 63.15 N ATOM 1976 CA VAL A 524 10.104 -4.614 -2.160 1.00 43.21 C ATOM 1977 C VAL A 524 11.223 -3.605 -2.434 1.00 24.04 C ATOM 1978 O VAL A 524 10.955 -2.454 -2.775 1.00 72.32 O ATOM 1979 CB VAL A 524 9.815 -4.794 -0.669 1.00 63.01 C ATOM 1980 CG1 VAL A 524 11.105 -4.730 0.151 1.00 23.42 C ATOM 1981 CG2 VAL A 524 8.801 -3.760 -0.177 1.00 33.21 C ATOM 0 H VAL A 524 10.775 -6.597 -2.097 1.00 63.15 H new ATOM 0 HA VAL A 524 9.192 -4.219 -2.608 1.00 43.21 H new ATOM 0 HB VAL A 524 9.378 -5.783 -0.530 1.00 63.01 H new ATOM 0 HG11 VAL A 524 10.871 -4.861 1.208 1.00 23.42 H new ATOM 0 HG12 VAL A 524 11.781 -5.522 -0.172 1.00 23.42 H new ATOM 0 HG13 VAL A 524 11.583 -3.762 0.002 1.00 23.42 H new ATOM 0 HG21 VAL A 524 8.614 -3.911 0.886 1.00 33.21 H new ATOM 0 HG22 VAL A 524 9.197 -2.757 -0.337 1.00 33.21 H new ATOM 0 HG23 VAL A 524 7.868 -3.874 -0.729 1.00 33.21 H new ATOM 1991 N ALA A 525 12.451 -4.075 -2.276 1.00 4.10 N ATOM 1992 CA ALA A 525 13.610 -3.230 -2.502 1.00 71.01 C ATOM 1993 C ALA A 525 13.719 -2.908 -3.993 1.00 3.33 C ATOM 1994 O ALA A 525 14.531 -2.076 -4.396 1.00 65.10 O ATOM 1995 CB ALA A 525 14.863 -3.925 -1.963 1.00 43.21 C ATOM 0 H ALA A 525 12.668 -5.031 -1.994 1.00 4.10 H new ATOM 0 HA ALA A 525 13.505 -2.286 -1.968 1.00 71.01 H new ATOM 0 HB1 ALA A 525 15.733 -3.290 -2.133 1.00 43.21 H new ATOM 0 HB2 ALA A 525 14.748 -4.105 -0.894 1.00 43.21 H new ATOM 0 HB3 ALA A 525 15.002 -4.876 -2.478 1.00 43.21 H new ATOM 2001 N ASN A 526 12.888 -3.584 -4.773 1.00 71.21 N ATOM 2002 CA ASN A 526 12.879 -3.381 -6.213 1.00 43.13 C ATOM 2003 C ASN A 526 11.898 -2.260 -6.558 1.00 52.35 C ATOM 2004 O ASN A 526 12.243 -1.329 -7.284 1.00 72.11 O ATOM 2005 CB ASN A 526 12.431 -4.646 -6.944 1.00 32.43 C ATOM 2006 CG ASN A 526 13.634 -5.428 -7.475 1.00 14.33 C ATOM 2007 OD1 ASN A 526 14.697 -4.886 -7.729 1.00 4.52 O ATOM 2008 ND2 ASN A 526 13.408 -6.729 -7.629 1.00 1.05 N ATOM 0 H ASN A 526 12.216 -4.273 -4.435 1.00 71.21 H new ATOM 0 HA ASN A 526 13.892 -3.126 -6.525 1.00 43.13 H new ATOM 0 HB2 ASN A 526 11.853 -5.276 -6.267 1.00 32.43 H new ATOM 0 HB3 ASN A 526 11.773 -4.379 -7.771 1.00 32.43 H new ATOM 0 HD21 ASN A 526 14.148 -7.337 -7.979 1.00 1.05 H new ATOM 0 HD22 ASN A 526 12.494 -7.119 -7.397 1.00 1.05 H new ATOM 2014 N THR A 527 10.693 -2.386 -6.023 1.00 15.43 N ATOM 2015 CA THR A 527 9.658 -1.396 -6.267 1.00 12.44 C ATOM 2016 C THR A 527 9.787 -0.235 -5.278 1.00 0.23 C ATOM 2017 O THR A 527 9.871 0.923 -5.683 1.00 40.50 O ATOM 2018 CB THR A 527 8.302 -2.102 -6.202 1.00 0.25 C ATOM 2019 OG1 THR A 527 7.359 -1.069 -6.475 1.00 14.22 O ATOM 2020 CG2 THR A 527 7.949 -2.564 -4.786 1.00 61.01 C ATOM 0 H THR A 527 10.410 -3.159 -5.421 1.00 15.43 H new ATOM 0 HA THR A 527 9.761 -0.952 -7.257 1.00 12.44 H new ATOM 0 HB THR A 527 8.308 -2.961 -6.873 1.00 0.25 H new ATOM 0 HG1 THR A 527 7.762 -0.409 -7.077 1.00 14.22 H new ATOM 0 HG21 THR A 527 6.978 -3.058 -4.796 1.00 61.01 H new ATOM 0 HG22 THR A 527 8.708 -3.262 -4.431 1.00 61.01 H new ATOM 0 HG23 THR A 527 7.910 -1.701 -4.121 1.00 61.01 H new ATOM 2028 N PHE A 528 9.797 -0.587 -4.001 1.00 73.43 N ATOM 2029 CA PHE A 528 9.916 0.410 -2.952 1.00 42.22 C ATOM 2030 C PHE A 528 11.383 0.733 -2.662 1.00 23.41 C ATOM 2031 O PHE A 528 11.835 0.616 -1.525 1.00 23.31 O ATOM 2032 CB PHE A 528 9.280 -0.186 -1.695 1.00 4.43 C ATOM 2033 CG PHE A 528 7.757 -0.323 -1.772 1.00 23.35 C ATOM 2034 CD1 PHE A 528 6.971 0.786 -1.726 1.00 70.21 C ATOM 2035 CD2 PHE A 528 7.191 -1.554 -1.888 1.00 55.24 C ATOM 2036 CE1 PHE A 528 5.559 0.659 -1.798 1.00 51.04 C ATOM 2037 CE2 PHE A 528 5.779 -1.680 -1.960 1.00 15.53 C ATOM 2038 CZ PHE A 528 4.992 -0.571 -1.914 1.00 62.43 C ATOM 0 H PHE A 528 9.725 -1.549 -3.669 1.00 73.43 H new ATOM 0 HA PHE A 528 9.424 1.333 -3.260 1.00 42.22 H new ATOM 0 HB2 PHE A 528 9.714 -1.169 -1.512 1.00 4.43 H new ATOM 0 HB3 PHE A 528 9.535 0.440 -0.840 1.00 4.43 H new ATOM 0 HD1 PHE A 528 7.421 1.763 -1.635 1.00 70.21 H new ATOM 0 HD2 PHE A 528 7.815 -2.435 -1.925 1.00 55.24 H new ATOM 0 HE1 PHE A 528 4.935 1.540 -1.761 1.00 51.04 H new ATOM 0 HE2 PHE A 528 5.329 -2.657 -2.051 1.00 15.53 H new ATOM 0 HZ PHE A 528 3.918 -0.668 -1.970 1.00 62.43 H new ATOM 2047 N LYS A 529 12.087 1.130 -3.712 1.00 72.05 N ATOM 2048 CA LYS A 529 13.494 1.469 -3.585 1.00 51.20 C ATOM 2049 C LYS A 529 13.638 2.700 -2.688 1.00 65.31 C ATOM 2050 O LYS A 529 12.684 3.454 -2.503 1.00 72.24 O ATOM 2051 CB LYS A 529 14.132 1.638 -4.967 1.00 51.53 C ATOM 2052 CG LYS A 529 14.372 0.279 -5.628 1.00 10.11 C ATOM 2053 CD LYS A 529 14.517 0.427 -7.144 1.00 32.52 C ATOM 2054 CE LYS A 529 15.114 -0.840 -7.763 1.00 44.24 C ATOM 2055 NZ LYS A 529 15.572 -0.575 -9.145 1.00 14.42 N ATOM 0 H LYS A 529 11.709 1.224 -4.655 1.00 72.05 H new ATOM 0 HA LYS A 529 14.039 0.657 -3.104 1.00 51.20 H new ATOM 0 HB2 LYS A 529 13.484 2.245 -5.599 1.00 51.53 H new ATOM 0 HB3 LYS A 529 15.077 2.173 -4.873 1.00 51.53 H new ATOM 0 HG2 LYS A 529 15.272 -0.177 -5.215 1.00 10.11 H new ATOM 0 HG3 LYS A 529 13.543 -0.391 -5.402 1.00 10.11 H new ATOM 0 HD2 LYS A 529 13.542 0.629 -7.588 1.00 32.52 H new ATOM 0 HD3 LYS A 529 15.154 1.282 -7.371 1.00 32.52 H new ATOM 0 HE2 LYS A 529 15.950 -1.189 -7.157 1.00 44.24 H new ATOM 0 HE3 LYS A 529 14.369 -1.636 -7.767 1.00 44.24 H new ATOM 0 HZ1 LYS A 529 15.974 -1.444 -9.550 1.00 14.42 H new ATOM 0 HZ2 LYS A 529 14.766 -0.264 -9.724 1.00 14.42 H new ATOM 0 HZ3 LYS A 529 16.298 0.169 -9.133 1.00 14.42 H new ATOM 2064 N PRO A 530 14.870 2.868 -2.137 1.00 73.32 N ATOM 2065 CA PRO A 530 15.152 3.994 -1.263 1.00 63.21 C ATOM 2066 C PRO A 530 15.295 5.289 -2.066 1.00 71.35 C ATOM 2067 O PRO A 530 14.856 6.349 -1.623 1.00 72.35 O ATOM 2068 CB PRO A 530 16.424 3.610 -0.524 1.00 23.23 C ATOM 2069 CG PRO A 530 17.062 2.498 -1.342 1.00 51.10 C ATOM 2070 CD PRO A 530 16.024 1.995 -2.333 1.00 71.43 C ATOM 0 HA PRO A 530 14.343 4.193 -0.560 1.00 63.21 H new ATOM 0 HB2 PRO A 530 17.096 4.463 -0.434 1.00 23.23 H new ATOM 0 HB3 PRO A 530 16.201 3.272 0.488 1.00 23.23 H new ATOM 0 HG2 PRO A 530 17.943 2.867 -1.866 1.00 51.10 H new ATOM 0 HG3 PRO A 530 17.394 1.688 -0.692 1.00 51.10 H new ATOM 0 HD2 PRO A 530 16.394 2.052 -3.357 1.00 71.43 H new ATOM 0 HD3 PRO A 530 15.768 0.952 -2.144 1.00 71.43 H new ATOM 2075 N HIS A 531 15.911 5.161 -3.231 1.00 14.44 N ATOM 2076 CA HIS A 531 16.117 6.307 -4.100 1.00 1.20 C ATOM 2077 C HIS A 531 14.804 6.663 -4.802 1.00 22.35 C ATOM 2078 O HIS A 531 14.737 7.642 -5.542 1.00 20.10 O ATOM 2079 CB HIS A 531 17.262 6.048 -5.080 1.00 71.45 C ATOM 2080 CG HIS A 531 16.825 5.425 -6.385 1.00 2.30 C ATOM 2081 ND1 HIS A 531 16.756 4.056 -6.576 1.00 34.50 N ATOM 2082 CD2 HIS A 531 16.432 5.998 -7.558 1.00 34.21 C ATOM 2083 CE1 HIS A 531 16.343 3.827 -7.814 1.00 50.35 C ATOM 2084 NE2 HIS A 531 16.142 5.032 -8.421 1.00 53.01 N ATOM 0 H HIS A 531 16.275 4.280 -3.594 1.00 14.44 H new ATOM 0 HA HIS A 531 16.415 7.170 -3.504 1.00 1.20 H new ATOM 0 HB2 HIS A 531 17.767 6.991 -5.290 1.00 71.45 H new ATOM 0 HB3 HIS A 531 17.993 5.394 -4.604 1.00 71.45 H new ATOM 0 HD2 HIS A 531 16.368 7.058 -7.752 1.00 34.21 H new ATOM 0 HE1 HIS A 531 16.192 2.857 -8.264 1.00 50.35 H new ATOM 0 HE2 HIS A 531 15.822 5.168 -9.380 1.00 53.01 H new ATOM 2091 N ARG A 532 13.792 5.846 -4.542 1.00 71.43 N ATOM 2092 CA ARG A 532 12.487 6.062 -5.140 1.00 3.21 C ATOM 2093 C ARG A 532 11.538 6.705 -4.126 1.00 73.32 C ATOM 2094 O ARG A 532 10.624 7.436 -4.502 1.00 2.14 O ATOM 2095 CB ARG A 532 11.881 4.745 -5.629 1.00 3.42 C ATOM 2096 CG ARG A 532 10.962 4.976 -6.831 1.00 24.34 C ATOM 2097 CD ARG A 532 11.766 5.413 -8.058 1.00 42.22 C ATOM 2098 NE ARG A 532 10.916 5.349 -9.268 1.00 31.15 N ATOM 2099 CZ ARG A 532 10.136 6.362 -9.700 1.00 13.52 C ATOM 2100 NH1 ARG A 532 10.091 7.529 -9.023 1.00 30.24 N ATOM 2101 NH2 ARG A 532 9.419 6.195 -10.795 1.00 0.25 N ATOM 0 H ARG A 532 13.851 5.035 -3.926 1.00 71.43 H new ATOM 0 HA ARG A 532 12.619 6.728 -5.993 1.00 3.21 H new ATOM 0 HB2 ARG A 532 12.678 4.054 -5.904 1.00 3.42 H new ATOM 0 HB3 ARG A 532 11.318 4.278 -4.821 1.00 3.42 H new ATOM 0 HG2 ARG A 532 10.415 4.061 -7.057 1.00 24.34 H new ATOM 0 HG3 ARG A 532 10.221 5.738 -6.587 1.00 24.34 H new ATOM 0 HD2 ARG A 532 12.137 6.428 -7.917 1.00 42.22 H new ATOM 0 HD3 ARG A 532 12.637 4.769 -8.181 1.00 42.22 H new ATOM 0 HE ARG A 532 10.920 4.485 -9.810 1.00 31.15 H new ATOM 0 HH11 ARG A 532 10.649 7.650 -8.178 1.00 30.24 H new ATOM 0 HH12 ARG A 532 9.499 8.290 -9.356 1.00 30.24 H new ATOM 0 HH21 ARG A 532 9.460 5.310 -11.301 1.00 0.25 H new ATOM 0 HH22 ARG A 532 8.824 6.950 -11.135 1.00 0.25 H new ATOM 2111 N LEU A 533 11.790 6.411 -2.859 1.00 65.23 N ATOM 2112 CA LEU A 533 10.971 6.951 -1.787 1.00 54.22 C ATOM 2113 C LEU A 533 11.274 8.443 -1.624 1.00 3.34 C ATOM 2114 O LEU A 533 10.363 9.270 -1.636 1.00 71.11 O ATOM 2115 CB LEU A 533 11.162 6.141 -0.504 1.00 35.21 C ATOM 2116 CG LEU A 533 10.174 4.993 -0.284 1.00 25.00 C ATOM 2117 CD1 LEU A 533 8.751 5.521 -0.101 1.00 45.24 C ATOM 2118 CD2 LEU A 533 10.263 3.967 -1.416 1.00 31.40 C ATOM 0 H LEU A 533 12.550 5.805 -2.550 1.00 65.23 H new ATOM 0 HA LEU A 533 9.913 6.864 -2.035 1.00 54.22 H new ATOM 0 HB2 LEU A 533 12.172 5.731 -0.504 1.00 35.21 H new ATOM 0 HB3 LEU A 533 11.094 6.821 0.345 1.00 35.21 H new ATOM 0 HG LEU A 533 10.448 4.480 0.638 1.00 25.00 H new ATOM 0 HD11 LEU A 533 8.070 4.684 0.053 1.00 45.24 H new ATOM 0 HD12 LEU A 533 8.717 6.182 0.765 1.00 45.24 H new ATOM 0 HD13 LEU A 533 8.451 6.074 -0.991 1.00 45.24 H new ATOM 0 HD21 LEU A 533 9.551 3.162 -1.235 1.00 31.40 H new ATOM 0 HD22 LEU A 533 10.030 4.451 -2.365 1.00 31.40 H new ATOM 0 HD23 LEU A 533 11.272 3.556 -1.456 1.00 31.40 H new