USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 481 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 Single : A 388 LYS NZ :NH3+ -176:sc= 1.22 (180deg=1.15) USER MOD Single : A 390 TYR OH : rot 180:sc= -0.0221 USER MOD Single : A 393 TYR OH : rot 180:sc= 0 USER MOD Single : A 396 ASN :FLIP amide:sc= -0.147 F(o=-2.6!,f=-0.15) USER MOD Single : A 398 TYR OH : rot 180:sc= 0 USER MOD Single : A 399 ASN : amide:sc= -0.134 K(o=-0.13,f=-1.8) USER MOD Single : A 400 GLN : amide:sc= -0.113! C(o=-0.11!,f=-7.4!) USER MOD Single : A 401 ASN : amide:sc= -0.835 K(o=-0.84,f=-1.7) USER MOD Single : A 402 TYR OH : rot 180:sc= 0 USER MOD Single : A 405 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 408 GLN :FLIP amide:sc= -1.19! C(o=-4.2!,f=-1.2!) USER MOD Single : A 410 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 411 SER OG : rot 36:sc= 0.148 USER MOD Single : A 417 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 420 TYR OH : rot 180:sc= 0 USER MOD Single : A 424 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 426 GLN :FLIP amide:sc= -0.0304 F(o=-1.5!,f=-0.03) USER MOD Single : A 427 THR OG1 : rot 180:sc= 0 USER MOD Single : A 428 THR OG1 : rot 180:sc= 0 USER MOD Single : A 430 THR OG1 : rot 180:sc= 0 USER MOD Single : A 432 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 434 ASN : amide:sc= 1.13 K(o=1.1,f=-0.25) USER MOD Single : A 437 SER OG : rot -91:sc= -3.76! USER MOD Single : A 439 THR OG1 : rot 180:sc= 0 USER MOD Single : A 446 LYS NZ :NH3+ 164:sc= -1.09 (180deg=-1.27) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 386 17.909 -3.525 -2.807 1.00 0.00 N ATOM 2 CA LEU A 386 17.964 -2.352 -1.972 1.00 0.00 C ATOM 3 C LEU A 386 17.216 -1.183 -2.588 1.00 0.00 C ATOM 4 O LEU A 386 17.759 -0.089 -2.748 1.00 0.00 O ATOM 5 CB LEU A 386 19.394 -1.961 -1.703 1.00 0.00 C ATOM 6 CG LEU A 386 20.201 -2.951 -0.856 1.00 0.00 C ATOM 7 CD1 LEU A 386 21.592 -2.412 -0.583 1.00 0.00 C ATOM 8 CD2 LEU A 386 19.482 -3.253 0.452 1.00 0.00 C ATOM 0 HA LEU A 386 17.476 -2.603 -1.030 1.00 0.00 H new ATOM 0 HB2 LEU A 386 19.902 -1.829 -2.658 1.00 0.00 H new ATOM 0 HB3 LEU A 386 19.400 -0.993 -1.202 1.00 0.00 H new ATOM 0 HG LEU A 386 20.295 -3.880 -1.418 1.00 0.00 H new ATOM 0 HD11 LEU A 386 22.149 -3.130 0.020 1.00 0.00 H new ATOM 0 HD12 LEU A 386 22.112 -2.251 -1.528 1.00 0.00 H new ATOM 0 HD13 LEU A 386 21.517 -1.467 -0.045 1.00 0.00 H new ATOM 0 HD21 LEU A 386 20.072 -3.958 1.037 1.00 0.00 H new ATOM 0 HD22 LEU A 386 19.353 -2.330 1.018 1.00 0.00 H new ATOM 0 HD23 LEU A 386 18.505 -3.688 0.238 1.00 0.00 H new ATOM 20 N ARG A 387 15.966 -1.415 -2.908 1.00 0.00 N ATOM 21 CA ARG A 387 15.115 -0.367 -3.455 1.00 0.00 C ATOM 22 C ARG A 387 14.378 0.357 -2.346 1.00 0.00 C ATOM 23 O ARG A 387 14.209 -0.171 -1.244 1.00 0.00 O ATOM 24 CB ARG A 387 14.098 -0.917 -4.456 1.00 0.00 C ATOM 25 CG ARG A 387 14.719 -1.488 -5.708 1.00 0.00 C ATOM 26 CD ARG A 387 13.760 -1.433 -6.884 1.00 0.00 C ATOM 27 NE ARG A 387 14.228 -2.222 -8.021 1.00 0.00 N ATOM 28 CZ ARG A 387 13.540 -2.374 -9.153 1.00 0.00 C ATOM 29 NH1 ARG A 387 12.348 -1.802 -9.292 1.00 0.00 N ATOM 30 NH2 ARG A 387 14.026 -3.118 -10.137 1.00 0.00 N ATOM 0 H ARG A 387 15.508 -2.320 -2.802 1.00 0.00 H new ATOM 0 HA ARG A 387 15.771 0.329 -3.979 1.00 0.00 H new ATOM 0 HB2 ARG A 387 13.507 -1.693 -3.969 1.00 0.00 H new ATOM 0 HB3 ARG A 387 13.410 -0.119 -4.735 1.00 0.00 H new ATOM 0 HG2 ARG A 387 15.625 -0.933 -5.951 1.00 0.00 H new ATOM 0 HG3 ARG A 387 15.016 -2.521 -5.529 1.00 0.00 H new ATOM 0 HD2 ARG A 387 12.782 -1.798 -6.570 1.00 0.00 H new ATOM 0 HD3 ARG A 387 13.628 -0.396 -7.194 1.00 0.00 H new ATOM 0 HE ARG A 387 15.134 -2.684 -7.944 1.00 0.00 H new ATOM 0 HH11 ARG A 387 11.958 -1.245 -8.532 1.00 0.00 H new ATOM 0 HH12 ARG A 387 11.824 -1.920 -10.159 1.00 0.00 H new ATOM 0 HH21 ARG A 387 14.930 -3.577 -10.030 1.00 0.00 H new ATOM 0 HH22 ARG A 387 13.495 -3.231 -11.001 1.00 0.00 H new ATOM 44 N LYS A 388 13.946 1.566 -2.646 1.00 0.00 N ATOM 45 CA LYS A 388 13.200 2.374 -1.701 1.00 0.00 C ATOM 46 C LYS A 388 11.819 2.667 -2.264 1.00 0.00 C ATOM 47 O LYS A 388 11.685 3.412 -3.232 1.00 0.00 O ATOM 48 CB LYS A 388 13.933 3.687 -1.398 1.00 0.00 C ATOM 49 CG LYS A 388 15.216 3.530 -0.589 1.00 0.00 C ATOM 50 CD LYS A 388 16.330 2.897 -1.408 1.00 0.00 C ATOM 51 CE LYS A 388 17.617 2.780 -0.614 1.00 0.00 C ATOM 52 NZ LYS A 388 18.704 2.166 -1.421 1.00 0.00 N ATOM 0 H LYS A 388 14.101 2.015 -3.549 1.00 0.00 H new ATOM 0 HA LYS A 388 13.105 1.818 -0.768 1.00 0.00 H new ATOM 0 HB2 LYS A 388 14.172 4.179 -2.341 1.00 0.00 H new ATOM 0 HB3 LYS A 388 13.257 4.348 -0.856 1.00 0.00 H new ATOM 0 HG2 LYS A 388 15.540 4.507 -0.229 1.00 0.00 H new ATOM 0 HG3 LYS A 388 15.018 2.916 0.290 1.00 0.00 H new ATOM 0 HD2 LYS A 388 16.018 1.908 -1.742 1.00 0.00 H new ATOM 0 HD3 LYS A 388 16.508 3.494 -2.302 1.00 0.00 H new ATOM 0 HE2 LYS A 388 17.928 3.769 -0.276 1.00 0.00 H new ATOM 0 HE3 LYS A 388 17.441 2.179 0.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 19.548 2.039 -0.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 18.391 1.241 -1.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 18.935 2.787 -2.222 1.00 0.00 H new ATOM 66 N CYS A 389 10.804 2.059 -1.671 1.00 0.00 N ATOM 67 CA CYS A 389 9.438 2.178 -2.151 1.00 0.00 C ATOM 68 C CYS A 389 8.869 3.571 -1.926 1.00 0.00 C ATOM 69 O CYS A 389 9.164 4.228 -0.929 1.00 0.00 O ATOM 70 CB CYS A 389 8.556 1.144 -1.456 1.00 0.00 C ATOM 71 SG CYS A 389 8.782 1.077 0.344 1.00 0.00 S ATOM 0 H CYS A 389 10.904 1.470 -0.844 1.00 0.00 H new ATOM 0 HA CYS A 389 9.451 1.998 -3.226 1.00 0.00 H new ATOM 0 HB2 CYS A 389 7.511 1.367 -1.673 1.00 0.00 H new ATOM 0 HB3 CYS A 389 8.766 0.160 -1.876 1.00 0.00 H new ATOM 76 N TYR A 390 8.059 4.009 -2.877 1.00 0.00 N ATOM 77 CA TYR A 390 7.327 5.255 -2.761 1.00 0.00 C ATOM 78 C TYR A 390 5.840 4.935 -2.748 1.00 0.00 C ATOM 79 O TYR A 390 5.332 4.307 -3.675 1.00 0.00 O ATOM 80 CB TYR A 390 7.676 6.177 -3.935 1.00 0.00 C ATOM 81 CG TYR A 390 6.964 7.515 -3.914 1.00 0.00 C ATOM 82 CD1 TYR A 390 7.409 8.548 -3.100 1.00 0.00 C ATOM 83 CD2 TYR A 390 5.856 7.745 -4.721 1.00 0.00 C ATOM 84 CE1 TYR A 390 6.766 9.773 -3.085 1.00 0.00 C ATOM 85 CE2 TYR A 390 5.211 8.967 -4.715 1.00 0.00 C ATOM 86 CZ TYR A 390 5.668 9.978 -3.897 1.00 0.00 C ATOM 87 OH TYR A 390 5.026 11.197 -3.893 1.00 0.00 O ATOM 0 H TYR A 390 7.892 3.509 -3.750 1.00 0.00 H new ATOM 0 HA TYR A 390 7.597 5.771 -1.839 1.00 0.00 H new ATOM 0 HB2 TYR A 390 8.752 6.352 -3.936 1.00 0.00 H new ATOM 0 HB3 TYR A 390 7.435 5.666 -4.867 1.00 0.00 H new ATOM 0 HD1 TYR A 390 8.271 8.393 -2.468 1.00 0.00 H new ATOM 0 HD2 TYR A 390 5.493 6.956 -5.363 1.00 0.00 H new ATOM 0 HE1 TYR A 390 7.121 10.565 -2.442 1.00 0.00 H new ATOM 0 HE2 TYR A 390 4.352 9.129 -5.349 1.00 0.00 H new ATOM 0 HH TYR A 390 4.275 11.173 -4.522 1.00 0.00 H new ATOM 97 N PHE A 391 5.153 5.318 -1.685 1.00 0.00 N ATOM 98 CA PHE A 391 3.743 4.987 -1.545 1.00 0.00 C ATOM 99 C PHE A 391 2.881 5.908 -2.406 1.00 0.00 C ATOM 100 O PHE A 391 2.912 7.134 -2.250 1.00 0.00 O ATOM 101 CB PHE A 391 3.313 5.066 -0.081 1.00 0.00 C ATOM 102 CG PHE A 391 2.051 4.302 0.203 1.00 0.00 C ATOM 103 CD1 PHE A 391 2.102 2.954 0.513 1.00 0.00 C ATOM 104 CD2 PHE A 391 0.817 4.927 0.161 1.00 0.00 C ATOM 105 CE1 PHE A 391 0.947 2.244 0.773 1.00 0.00 C ATOM 106 CE2 PHE A 391 -0.340 4.223 0.420 1.00 0.00 C ATOM 107 CZ PHE A 391 -0.275 2.878 0.727 1.00 0.00 C ATOM 0 H PHE A 391 5.544 5.855 -0.911 1.00 0.00 H new ATOM 0 HA PHE A 391 3.600 3.963 -1.891 1.00 0.00 H new ATOM 0 HB2 PHE A 391 4.114 4.679 0.549 1.00 0.00 H new ATOM 0 HB3 PHE A 391 3.168 6.111 0.193 1.00 0.00 H new ATOM 0 HD1 PHE A 391 3.057 2.451 0.552 1.00 0.00 H new ATOM 0 HD2 PHE A 391 0.759 5.979 -0.077 1.00 0.00 H new ATOM 0 HE1 PHE A 391 1.001 1.192 1.012 1.00 0.00 H new ATOM 0 HE2 PHE A 391 -1.297 4.723 0.383 1.00 0.00 H new ATOM 0 HZ PHE A 391 -1.180 2.325 0.930 1.00 0.00 H new ATOM 117 N PRO A 392 2.101 5.314 -3.325 1.00 0.00 N ATOM 118 CA PRO A 392 1.279 6.050 -4.281 1.00 0.00 C ATOM 119 C PRO A 392 -0.118 6.367 -3.746 1.00 0.00 C ATOM 120 O PRO A 392 -0.447 6.071 -2.596 1.00 0.00 O ATOM 121 CB PRO A 392 1.201 5.072 -5.450 1.00 0.00 C ATOM 122 CG PRO A 392 1.213 3.721 -4.815 1.00 0.00 C ATOM 123 CD PRO A 392 1.965 3.856 -3.510 1.00 0.00 C ATOM 0 HA PRO A 392 1.697 7.026 -4.529 1.00 0.00 H new ATOM 0 HB2 PRO A 392 0.295 5.226 -6.036 1.00 0.00 H new ATOM 0 HB3 PRO A 392 2.044 5.198 -6.129 1.00 0.00 H new ATOM 0 HG2 PRO A 392 0.197 3.367 -4.640 1.00 0.00 H new ATOM 0 HG3 PRO A 392 1.697 2.993 -5.466 1.00 0.00 H new ATOM 0 HD2 PRO A 392 1.419 3.398 -2.685 1.00 0.00 H new ATOM 0 HD3 PRO A 392 2.938 3.367 -3.558 1.00 0.00 H new ATOM 131 N TYR A 393 -0.929 6.983 -4.594 1.00 0.00 N ATOM 132 CA TYR A 393 -2.269 7.400 -4.216 1.00 0.00 C ATOM 133 C TYR A 393 -3.276 6.320 -4.613 1.00 0.00 C ATOM 134 O TYR A 393 -3.315 5.896 -5.765 1.00 0.00 O ATOM 135 CB TYR A 393 -2.601 8.731 -4.900 1.00 0.00 C ATOM 136 CG TYR A 393 -3.698 9.522 -4.227 1.00 0.00 C ATOM 137 CD1 TYR A 393 -3.407 10.375 -3.172 1.00 0.00 C ATOM 138 CD2 TYR A 393 -5.017 9.422 -4.646 1.00 0.00 C ATOM 139 CE1 TYR A 393 -4.398 11.110 -2.557 1.00 0.00 C ATOM 140 CE2 TYR A 393 -6.014 10.155 -4.032 1.00 0.00 C ATOM 141 CZ TYR A 393 -5.699 10.993 -2.986 1.00 0.00 C ATOM 142 OH TYR A 393 -6.685 11.730 -2.373 1.00 0.00 O ATOM 0 H TYR A 393 -0.678 7.206 -5.557 1.00 0.00 H new ATOM 0 HA TYR A 393 -2.321 7.540 -3.136 1.00 0.00 H new ATOM 0 HB2 TYR A 393 -1.699 9.342 -4.936 1.00 0.00 H new ATOM 0 HB3 TYR A 393 -2.893 8.533 -5.931 1.00 0.00 H new ATOM 0 HD1 TYR A 393 -2.388 10.465 -2.827 1.00 0.00 H new ATOM 0 HD2 TYR A 393 -5.268 8.762 -5.463 1.00 0.00 H new ATOM 0 HE1 TYR A 393 -4.153 11.775 -1.742 1.00 0.00 H new ATOM 0 HE2 TYR A 393 -7.036 10.071 -4.371 1.00 0.00 H new ATOM 0 HH TYR A 393 -7.549 11.535 -2.793 1.00 0.00 H new ATOM 152 N LEU A 394 -4.088 5.883 -3.657 1.00 0.00 N ATOM 153 CA LEU A 394 -5.010 4.767 -3.882 1.00 0.00 C ATOM 154 C LEU A 394 -6.290 5.208 -4.581 1.00 0.00 C ATOM 155 O LEU A 394 -7.207 4.405 -4.740 1.00 0.00 O ATOM 156 CB LEU A 394 -5.380 4.076 -2.561 1.00 0.00 C ATOM 157 CG LEU A 394 -4.271 3.256 -1.895 1.00 0.00 C ATOM 158 CD1 LEU A 394 -3.666 2.271 -2.881 1.00 0.00 C ATOM 159 CD2 LEU A 394 -3.198 4.156 -1.309 1.00 0.00 C ATOM 0 H LEU A 394 -4.129 6.281 -2.719 1.00 0.00 H new ATOM 0 HA LEU A 394 -4.483 4.066 -4.529 1.00 0.00 H new ATOM 0 HB2 LEU A 394 -5.713 4.838 -1.857 1.00 0.00 H new ATOM 0 HB3 LEU A 394 -6.230 3.418 -2.744 1.00 0.00 H new ATOM 0 HG LEU A 394 -4.718 2.693 -1.076 1.00 0.00 H new ATOM 0 HD11 LEU A 394 -2.880 1.699 -2.388 1.00 0.00 H new ATOM 0 HD12 LEU A 394 -4.440 1.592 -3.238 1.00 0.00 H new ATOM 0 HD13 LEU A 394 -3.243 2.815 -3.725 1.00 0.00 H new ATOM 0 HD21 LEU A 394 -2.425 3.545 -0.843 1.00 0.00 H new ATOM 0 HD22 LEU A 394 -2.755 4.759 -2.102 1.00 0.00 H new ATOM 0 HD23 LEU A 394 -3.642 4.812 -0.560 1.00 0.00 H new ATOM 171 N GLU A 395 -6.342 6.477 -4.997 1.00 0.00 N ATOM 172 CA GLU A 395 -7.536 7.057 -5.619 1.00 0.00 C ATOM 173 C GLU A 395 -8.737 6.926 -4.685 1.00 0.00 C ATOM 174 O GLU A 395 -8.986 7.786 -3.841 1.00 0.00 O ATOM 175 CB GLU A 395 -7.844 6.369 -6.955 1.00 0.00 C ATOM 176 CG GLU A 395 -6.669 6.320 -7.913 1.00 0.00 C ATOM 177 CD GLU A 395 -6.337 7.676 -8.503 1.00 0.00 C ATOM 178 OE1 GLU A 395 -5.782 8.529 -7.781 1.00 0.00 O ATOM 179 OE2 GLU A 395 -6.638 7.903 -9.693 1.00 0.00 O ATOM 0 H GLU A 395 -5.562 7.128 -4.913 1.00 0.00 H new ATOM 0 HA GLU A 395 -7.340 8.113 -5.806 1.00 0.00 H new ATOM 0 HB2 GLU A 395 -8.181 5.351 -6.758 1.00 0.00 H new ATOM 0 HB3 GLU A 395 -8.671 6.890 -7.438 1.00 0.00 H new ATOM 0 HG2 GLU A 395 -5.795 5.932 -7.390 1.00 0.00 H new ATOM 0 HG3 GLU A 395 -6.893 5.622 -8.720 1.00 0.00 H new ATOM 186 N ASN A 396 -9.443 5.816 -4.824 1.00 0.00 N ATOM 187 CA ASN A 396 -10.560 5.468 -3.958 1.00 0.00 C ATOM 188 C ASN A 396 -10.065 4.805 -2.671 1.00 0.00 C ATOM 189 O ASN A 396 -10.541 3.738 -2.276 1.00 0.00 O ATOM 190 CB ASN A 396 -11.548 4.543 -4.692 1.00 0.00 C ATOM 191 CG ASN A 396 -10.893 3.595 -5.697 1.00 0.00 C ATOM 192 OD1 ASN A 396 -9.656 3.177 -5.443 1.00 0.00 O flip ATOM 193 ND2 ASN A 396 -11.505 3.237 -6.702 1.00 0.00 N flip ATOM 0 H ASN A 396 -9.256 5.123 -5.549 1.00 0.00 H new ATOM 0 HA ASN A 396 -11.080 6.388 -3.691 1.00 0.00 H new ATOM 0 HB2 ASN A 396 -12.092 3.953 -3.954 1.00 0.00 H new ATOM 0 HB3 ASN A 396 -12.283 5.156 -5.214 1.00 0.00 H new ATOM 0 HD21 ASN A 396 -12.453 3.575 -6.869 1.00 0.00 H new ATOM 0 HD22 ASN A 396 -11.065 2.602 -7.368 1.00 0.00 H new ATOM 200 N GLY A 397 -9.109 5.452 -2.022 1.00 0.00 N ATOM 201 CA GLY A 397 -8.568 4.944 -0.776 1.00 0.00 C ATOM 202 C GLY A 397 -8.028 6.066 0.085 1.00 0.00 C ATOM 203 O GLY A 397 -7.791 7.165 -0.412 1.00 0.00 O ATOM 0 H GLY A 397 -8.694 6.328 -2.339 1.00 0.00 H new ATOM 0 HA2 GLY A 397 -9.344 4.406 -0.232 1.00 0.00 H new ATOM 0 HA3 GLY A 397 -7.773 4.229 -0.987 1.00 0.00 H new ATOM 207 N TYR A 398 -7.817 5.789 1.364 1.00 0.00 N ATOM 208 CA TYR A 398 -7.480 6.826 2.336 1.00 0.00 C ATOM 209 C TYR A 398 -6.021 7.272 2.236 1.00 0.00 C ATOM 210 O TYR A 398 -5.694 8.383 2.658 1.00 0.00 O ATOM 211 CB TYR A 398 -7.792 6.328 3.747 1.00 0.00 C ATOM 212 CG TYR A 398 -9.276 6.197 4.023 1.00 0.00 C ATOM 213 CD1 TYR A 398 -10.047 7.320 4.289 1.00 0.00 C ATOM 214 CD2 TYR A 398 -9.905 4.956 4.022 1.00 0.00 C ATOM 215 CE1 TYR A 398 -11.398 7.213 4.546 1.00 0.00 C ATOM 216 CE2 TYR A 398 -11.258 4.843 4.279 1.00 0.00 C ATOM 217 CZ TYR A 398 -11.999 5.975 4.540 1.00 0.00 C ATOM 218 OH TYR A 398 -13.347 5.871 4.796 1.00 0.00 O ATOM 0 H TYR A 398 -7.873 4.849 1.757 1.00 0.00 H new ATOM 0 HA TYR A 398 -8.090 7.700 2.110 1.00 0.00 H new ATOM 0 HB2 TYR A 398 -7.315 5.359 3.896 1.00 0.00 H new ATOM 0 HB3 TYR A 398 -7.354 7.014 4.472 1.00 0.00 H new ATOM 0 HD1 TYR A 398 -9.581 8.294 4.295 1.00 0.00 H new ATOM 0 HD2 TYR A 398 -9.327 4.067 3.817 1.00 0.00 H new ATOM 0 HE1 TYR A 398 -11.982 8.098 4.751 1.00 0.00 H new ATOM 0 HE2 TYR A 398 -11.732 3.873 4.275 1.00 0.00 H new ATOM 0 HH TYR A 398 -13.616 4.930 4.753 1.00 0.00 H new ATOM 228 N ASN A 399 -5.161 6.409 1.677 1.00 0.00 N ATOM 229 CA ASN A 399 -3.737 6.724 1.427 1.00 0.00 C ATOM 230 C ASN A 399 -3.107 7.528 2.569 1.00 0.00 C ATOM 231 O ASN A 399 -2.514 8.586 2.354 1.00 0.00 O ATOM 232 CB ASN A 399 -3.547 7.451 0.080 1.00 0.00 C ATOM 233 CG ASN A 399 -4.249 8.802 -0.020 1.00 0.00 C ATOM 234 OD1 ASN A 399 -3.668 9.844 0.284 1.00 0.00 O ATOM 235 ND2 ASN A 399 -5.500 8.797 -0.457 1.00 0.00 N ATOM 0 H ASN A 399 -5.428 5.470 1.383 1.00 0.00 H new ATOM 0 HA ASN A 399 -3.215 5.769 1.377 1.00 0.00 H new ATOM 0 HB2 ASN A 399 -2.481 7.598 -0.091 1.00 0.00 H new ATOM 0 HB3 ASN A 399 -3.913 6.807 -0.720 1.00 0.00 H new ATOM 0 HD21 ASN A 399 -6.011 9.675 -0.550 1.00 0.00 H new ATOM 0 HD22 ASN A 399 -5.952 7.915 -0.700 1.00 0.00 H new ATOM 242 N GLN A 400 -3.213 6.991 3.776 1.00 0.00 N ATOM 243 CA GLN A 400 -2.799 7.698 4.982 1.00 0.00 C ATOM 244 C GLN A 400 -1.313 8.055 4.959 1.00 0.00 C ATOM 245 O GLN A 400 -0.880 8.982 5.647 1.00 0.00 O ATOM 246 CB GLN A 400 -3.102 6.854 6.223 1.00 0.00 C ATOM 247 CG GLN A 400 -4.490 6.231 6.233 1.00 0.00 C ATOM 248 CD GLN A 400 -4.524 4.872 5.555 1.00 0.00 C ATOM 249 OE1 GLN A 400 -4.735 4.766 4.344 1.00 0.00 O ATOM 250 NE2 GLN A 400 -4.312 3.824 6.331 1.00 0.00 N ATOM 0 H GLN A 400 -3.586 6.058 3.948 1.00 0.00 H new ATOM 0 HA GLN A 400 -3.367 8.628 5.019 1.00 0.00 H new ATOM 0 HB2 GLN A 400 -2.359 6.060 6.298 1.00 0.00 H new ATOM 0 HB3 GLN A 400 -2.991 7.479 7.109 1.00 0.00 H new ATOM 0 HG2 GLN A 400 -4.831 6.128 7.263 1.00 0.00 H new ATOM 0 HG3 GLN A 400 -5.189 6.901 5.732 1.00 0.00 H new ATOM 0 HE21 GLN A 400 -4.141 3.954 7.328 1.00 0.00 H new ATOM 0 HE22 GLN A 400 -4.319 2.885 5.933 1.00 0.00 H new ATOM 259 N ASN A 401 -0.534 7.325 4.171 1.00 0.00 N ATOM 260 CA ASN A 401 0.904 7.554 4.098 1.00 0.00 C ATOM 261 C ASN A 401 1.370 7.744 2.659 1.00 0.00 C ATOM 262 O ASN A 401 2.479 7.358 2.291 1.00 0.00 O ATOM 263 CB ASN A 401 1.675 6.410 4.776 1.00 0.00 C ATOM 264 CG ASN A 401 1.289 5.034 4.259 1.00 0.00 C ATOM 265 OD1 ASN A 401 1.852 4.545 3.288 1.00 0.00 O ATOM 266 ND2 ASN A 401 0.341 4.391 4.927 1.00 0.00 N ATOM 0 H ASN A 401 -0.873 6.570 3.574 1.00 0.00 H new ATOM 0 HA ASN A 401 1.117 8.478 4.636 1.00 0.00 H new ATOM 0 HB2 ASN A 401 2.744 6.561 4.623 1.00 0.00 H new ATOM 0 HB3 ASN A 401 1.498 6.449 5.851 1.00 0.00 H new ATOM 0 HD21 ASN A 401 0.058 3.455 4.636 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -0.105 4.832 5.731 1.00 0.00 H new ATOM 273 N TYR A 402 0.517 8.360 1.853 1.00 0.00 N ATOM 274 CA TYR A 402 0.866 8.700 0.482 1.00 0.00 C ATOM 275 C TYR A 402 2.008 9.708 0.438 1.00 0.00 C ATOM 276 O TYR A 402 2.004 10.705 1.166 1.00 0.00 O ATOM 277 CB TYR A 402 -0.358 9.258 -0.242 1.00 0.00 C ATOM 278 CG TYR A 402 -0.038 10.008 -1.518 1.00 0.00 C ATOM 279 CD1 TYR A 402 0.450 9.344 -2.634 1.00 0.00 C ATOM 280 CD2 TYR A 402 -0.229 11.382 -1.607 1.00 0.00 C ATOM 281 CE1 TYR A 402 0.744 10.022 -3.800 1.00 0.00 C ATOM 282 CE2 TYR A 402 0.063 12.068 -2.770 1.00 0.00 C ATOM 283 CZ TYR A 402 0.547 11.384 -3.865 1.00 0.00 C ATOM 284 OH TYR A 402 0.837 12.065 -5.027 1.00 0.00 O ATOM 0 H TYR A 402 -0.426 8.635 2.127 1.00 0.00 H new ATOM 0 HA TYR A 402 1.200 7.792 -0.021 1.00 0.00 H new ATOM 0 HB2 TYR A 402 -1.033 8.435 -0.477 1.00 0.00 H new ATOM 0 HB3 TYR A 402 -0.893 9.925 0.434 1.00 0.00 H new ATOM 0 HD1 TYR A 402 0.603 8.276 -2.590 1.00 0.00 H new ATOM 0 HD2 TYR A 402 -0.612 11.922 -0.753 1.00 0.00 H new ATOM 0 HE1 TYR A 402 1.127 9.487 -4.657 1.00 0.00 H new ATOM 0 HE2 TYR A 402 -0.087 13.136 -2.821 1.00 0.00 H new ATOM 0 HH TYR A 402 0.641 13.017 -4.906 1.00 0.00 H new ATOM 294 N GLY A 403 2.985 9.436 -0.413 1.00 0.00 N ATOM 295 CA GLY A 403 4.091 10.355 -0.597 1.00 0.00 C ATOM 296 C GLY A 403 5.263 10.037 0.303 1.00 0.00 C ATOM 297 O GLY A 403 6.155 10.867 0.495 1.00 0.00 O ATOM 0 H GLY A 403 3.033 8.591 -0.983 1.00 0.00 H new ATOM 0 HA2 GLY A 403 4.416 10.323 -1.637 1.00 0.00 H new ATOM 0 HA3 GLY A 403 3.751 11.372 -0.400 1.00 0.00 H new ATOM 301 N ARG A 404 5.262 8.836 0.859 1.00 0.00 N ATOM 302 CA ARG A 404 6.325 8.413 1.752 1.00 0.00 C ATOM 303 C ARG A 404 7.238 7.396 1.093 1.00 0.00 C ATOM 304 O ARG A 404 6.841 6.683 0.169 1.00 0.00 O ATOM 305 CB ARG A 404 5.757 7.828 3.037 1.00 0.00 C ATOM 306 CG ARG A 404 5.107 8.865 3.926 1.00 0.00 C ATOM 307 CD ARG A 404 4.897 8.335 5.329 1.00 0.00 C ATOM 308 NE ARG A 404 6.159 8.064 6.009 1.00 0.00 N ATOM 309 CZ ARG A 404 6.279 7.921 7.325 1.00 0.00 C ATOM 310 NH1 ARG A 404 5.215 8.020 8.113 1.00 0.00 N ATOM 311 NH2 ARG A 404 7.473 7.690 7.851 1.00 0.00 N ATOM 0 H ARG A 404 4.535 8.137 0.706 1.00 0.00 H new ATOM 0 HA ARG A 404 6.911 9.301 1.991 1.00 0.00 H new ATOM 0 HB2 ARG A 404 5.023 7.062 2.787 1.00 0.00 H new ATOM 0 HB3 ARG A 404 6.557 7.335 3.589 1.00 0.00 H new ATOM 0 HG2 ARG A 404 5.731 9.758 3.962 1.00 0.00 H new ATOM 0 HG3 ARG A 404 4.149 9.162 3.500 1.00 0.00 H new ATOM 0 HD2 ARG A 404 4.323 9.059 5.907 1.00 0.00 H new ATOM 0 HD3 ARG A 404 4.306 7.420 5.286 1.00 0.00 H new ATOM 0 HE ARG A 404 7.001 7.979 5.440 1.00 0.00 H new ATOM 0 HH11 ARG A 404 4.297 8.207 7.709 1.00 0.00 H new ATOM 0 HH12 ARG A 404 5.315 7.909 9.122 1.00 0.00 H new ATOM 0 HH21 ARG A 404 8.292 7.623 7.247 1.00 0.00 H new ATOM 0 HH22 ARG A 404 7.573 7.579 8.860 1.00 0.00 H new ATOM 325 N LYS A 405 8.469 7.348 1.580 1.00 0.00 N ATOM 326 CA LYS A 405 9.469 6.422 1.092 1.00 0.00 C ATOM 327 C LYS A 405 9.926 5.494 2.210 1.00 0.00 C ATOM 328 O LYS A 405 10.073 5.918 3.359 1.00 0.00 O ATOM 329 CB LYS A 405 10.659 7.200 0.543 1.00 0.00 C ATOM 330 CG LYS A 405 10.330 8.026 -0.690 1.00 0.00 C ATOM 331 CD LYS A 405 11.486 8.931 -1.095 1.00 0.00 C ATOM 332 CE LYS A 405 11.828 9.940 -0.007 1.00 0.00 C ATOM 333 NZ LYS A 405 12.905 10.873 -0.432 1.00 0.00 N ATOM 0 H LYS A 405 8.800 7.956 2.329 1.00 0.00 H new ATOM 0 HA LYS A 405 9.033 5.817 0.297 1.00 0.00 H new ATOM 0 HB2 LYS A 405 11.041 7.861 1.321 1.00 0.00 H new ATOM 0 HB3 LYS A 405 11.458 6.500 0.299 1.00 0.00 H new ATOM 0 HG2 LYS A 405 10.084 7.360 -1.517 1.00 0.00 H new ATOM 0 HG3 LYS A 405 9.446 8.633 -0.495 1.00 0.00 H new ATOM 0 HD2 LYS A 405 12.363 8.322 -1.314 1.00 0.00 H new ATOM 0 HD3 LYS A 405 11.228 9.460 -2.012 1.00 0.00 H new ATOM 0 HE2 LYS A 405 10.936 10.510 0.252 1.00 0.00 H new ATOM 0 HE3 LYS A 405 12.141 9.411 0.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 405 13.107 11.543 0.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 405 13.765 10.332 -0.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 405 12.597 11.397 -1.276 1.00 0.00 H new ATOM 347 N PHE A 406 10.136 4.233 1.869 1.00 0.00 N ATOM 348 CA PHE A 406 10.596 3.230 2.825 1.00 0.00 C ATOM 349 C PHE A 406 11.617 2.317 2.158 1.00 0.00 C ATOM 350 O PHE A 406 11.679 2.238 0.933 1.00 0.00 O ATOM 351 CB PHE A 406 9.422 2.385 3.357 1.00 0.00 C ATOM 352 CG PHE A 406 8.339 3.186 4.029 1.00 0.00 C ATOM 353 CD1 PHE A 406 8.441 3.523 5.367 1.00 0.00 C ATOM 354 CD2 PHE A 406 7.225 3.603 3.321 1.00 0.00 C ATOM 355 CE1 PHE A 406 7.451 4.260 5.988 1.00 0.00 C ATOM 356 CE2 PHE A 406 6.230 4.340 3.936 1.00 0.00 C ATOM 357 CZ PHE A 406 6.344 4.672 5.271 1.00 0.00 C ATOM 0 H PHE A 406 9.994 3.873 0.925 1.00 0.00 H new ATOM 0 HA PHE A 406 11.054 3.749 3.667 1.00 0.00 H new ATOM 0 HB2 PHE A 406 8.985 1.828 2.528 1.00 0.00 H new ATOM 0 HB3 PHE A 406 9.808 1.652 4.065 1.00 0.00 H new ATOM 0 HD1 PHE A 406 9.305 3.206 5.933 1.00 0.00 H new ATOM 0 HD2 PHE A 406 7.132 3.349 2.275 1.00 0.00 H new ATOM 0 HE1 PHE A 406 7.542 4.514 7.034 1.00 0.00 H new ATOM 0 HE2 PHE A 406 5.364 4.656 3.372 1.00 0.00 H new ATOM 0 HZ PHE A 406 5.571 5.252 5.753 1.00 0.00 H new ATOM 367 N VAL A 407 12.422 1.644 2.962 1.00 0.00 N ATOM 368 CA VAL A 407 13.396 0.699 2.441 1.00 0.00 C ATOM 369 C VAL A 407 12.772 -0.687 2.335 1.00 0.00 C ATOM 370 O VAL A 407 11.900 -1.047 3.127 1.00 0.00 O ATOM 371 CB VAL A 407 14.661 0.645 3.321 1.00 0.00 C ATOM 372 CG1 VAL A 407 15.373 1.989 3.299 1.00 0.00 C ATOM 373 CG2 VAL A 407 14.321 0.238 4.749 1.00 0.00 C ATOM 0 H VAL A 407 12.421 1.734 3.978 1.00 0.00 H new ATOM 0 HA VAL A 407 13.695 1.039 1.449 1.00 0.00 H new ATOM 0 HB VAL A 407 15.330 -0.112 2.912 1.00 0.00 H new ATOM 0 HG11 VAL A 407 16.265 1.939 3.924 1.00 0.00 H new ATOM 0 HG12 VAL A 407 15.660 2.232 2.276 1.00 0.00 H new ATOM 0 HG13 VAL A 407 14.705 2.761 3.681 1.00 0.00 H new ATOM 0 HG21 VAL A 407 15.233 0.209 5.346 1.00 0.00 H new ATOM 0 HG22 VAL A 407 13.629 0.962 5.179 1.00 0.00 H new ATOM 0 HG23 VAL A 407 13.858 -0.749 4.746 1.00 0.00 H new ATOM 383 N GLN A 408 13.201 -1.450 1.337 1.00 0.00 N ATOM 384 CA GLN A 408 12.630 -2.766 1.079 1.00 0.00 C ATOM 385 C GLN A 408 12.873 -3.714 2.246 1.00 0.00 C ATOM 386 O GLN A 408 13.945 -3.713 2.855 1.00 0.00 O ATOM 387 CB GLN A 408 13.202 -3.353 -0.212 1.00 0.00 C ATOM 388 CG GLN A 408 12.693 -4.757 -0.511 1.00 0.00 C ATOM 389 CD GLN A 408 13.259 -5.365 -1.783 1.00 0.00 C ATOM 390 OE1 GLN A 408 13.589 -4.531 -2.759 1.00 0.00 O flip ATOM 391 NE2 GLN A 408 13.394 -6.578 -1.884 1.00 0.00 N flip ATOM 0 H GLN A 408 13.944 -1.179 0.692 1.00 0.00 H new ATOM 0 HA GLN A 408 11.553 -2.646 0.964 1.00 0.00 H new ATOM 0 HB2 GLN A 408 12.949 -2.697 -1.045 1.00 0.00 H new ATOM 0 HB3 GLN A 408 14.290 -3.375 -0.143 1.00 0.00 H new ATOM 0 HG2 GLN A 408 12.937 -5.407 0.329 1.00 0.00 H new ATOM 0 HG3 GLN A 408 11.606 -4.729 -0.587 1.00 0.00 H new ATOM 0 HE21 GLN A 408 13.128 -7.187 -1.110 1.00 0.00 H new ATOM 0 HE22 GLN A 408 13.772 -6.979 -2.742 1.00 0.00 H new ATOM 400 N GLY A 409 11.868 -4.526 2.538 1.00 0.00 N ATOM 401 CA GLY A 409 11.916 -5.398 3.692 1.00 0.00 C ATOM 402 C GLY A 409 11.030 -4.869 4.792 1.00 0.00 C ATOM 403 O GLY A 409 11.040 -5.366 5.917 1.00 0.00 O ATOM 0 H GLY A 409 11.011 -4.596 1.989 1.00 0.00 H new ATOM 0 HA2 GLY A 409 11.596 -6.401 3.410 1.00 0.00 H new ATOM 0 HA3 GLY A 409 12.942 -5.479 4.051 1.00 0.00 H new ATOM 407 N LYS A 410 10.255 -3.853 4.446 1.00 0.00 N ATOM 408 CA LYS A 410 9.398 -3.166 5.384 1.00 0.00 C ATOM 409 C LYS A 410 7.937 -3.408 5.041 1.00 0.00 C ATOM 410 O LYS A 410 7.633 -4.101 4.074 1.00 0.00 O ATOM 411 CB LYS A 410 9.717 -1.675 5.334 1.00 0.00 C ATOM 412 CG LYS A 410 10.974 -1.295 6.103 1.00 0.00 C ATOM 413 CD LYS A 410 10.898 -1.717 7.563 1.00 0.00 C ATOM 414 CE LYS A 410 12.220 -1.485 8.275 1.00 0.00 C ATOM 415 NZ LYS A 410 12.160 -1.872 9.710 1.00 0.00 N ATOM 0 H LYS A 410 10.207 -3.483 3.497 1.00 0.00 H new ATOM 0 HA LYS A 410 9.574 -3.546 6.390 1.00 0.00 H new ATOM 0 HB2 LYS A 410 9.832 -1.371 4.294 1.00 0.00 H new ATOM 0 HB3 LYS A 410 8.872 -1.117 5.737 1.00 0.00 H new ATOM 0 HG2 LYS A 410 11.840 -1.762 5.635 1.00 0.00 H new ATOM 0 HG3 LYS A 410 11.123 -0.217 6.044 1.00 0.00 H new ATOM 0 HD2 LYS A 410 10.109 -1.157 8.065 1.00 0.00 H new ATOM 0 HD3 LYS A 410 10.629 -2.772 7.625 1.00 0.00 H new ATOM 0 HE2 LYS A 410 13.004 -2.057 7.778 1.00 0.00 H new ATOM 0 HE3 LYS A 410 12.494 -0.433 8.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 410 13.083 -1.697 10.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 410 11.431 -1.308 10.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 410 11.924 -2.882 9.788 1.00 0.00 H new ATOM 429 N SER A 411 7.038 -2.844 5.825 1.00 0.00 N ATOM 430 CA SER A 411 5.618 -2.964 5.559 1.00 0.00 C ATOM 431 C SER A 411 4.878 -1.740 6.074 1.00 0.00 C ATOM 432 O SER A 411 5.388 -0.993 6.912 1.00 0.00 O ATOM 433 CB SER A 411 5.062 -4.237 6.202 1.00 0.00 C ATOM 434 OG SER A 411 3.692 -4.431 5.884 1.00 0.00 O ATOM 0 H SER A 411 7.268 -2.296 6.654 1.00 0.00 H new ATOM 0 HA SER A 411 5.470 -3.028 4.481 1.00 0.00 H new ATOM 0 HB2 SER A 411 5.639 -5.097 5.864 1.00 0.00 H new ATOM 0 HB3 SER A 411 5.180 -4.179 7.284 1.00 0.00 H new ATOM 0 HG SER A 411 3.523 -4.131 4.966 1.00 0.00 H new ATOM 440 N ILE A 412 3.680 -1.547 5.560 1.00 0.00 N ATOM 441 CA ILE A 412 2.845 -0.417 5.926 1.00 0.00 C ATOM 442 C ILE A 412 1.382 -0.774 5.712 1.00 0.00 C ATOM 443 O ILE A 412 1.047 -1.584 4.844 1.00 0.00 O ATOM 444 CB ILE A 412 3.234 0.856 5.120 1.00 0.00 C ATOM 445 CG1 ILE A 412 3.562 2.015 6.060 1.00 0.00 C ATOM 446 CG2 ILE A 412 2.162 1.267 4.121 1.00 0.00 C ATOM 447 CD1 ILE A 412 2.402 2.457 6.907 1.00 0.00 C ATOM 0 H ILE A 412 3.255 -2.171 4.874 1.00 0.00 H new ATOM 0 HA ILE A 412 3.003 -0.191 6.981 1.00 0.00 H new ATOM 0 HB ILE A 412 4.125 0.602 4.546 1.00 0.00 H new ATOM 0 HG12 ILE A 412 4.384 1.720 6.712 1.00 0.00 H new ATOM 0 HG13 ILE A 412 3.912 2.862 5.469 1.00 0.00 H new ATOM 0 HG21 ILE A 412 2.486 2.160 3.587 1.00 0.00 H new ATOM 0 HG22 ILE A 412 1.999 0.458 3.409 1.00 0.00 H new ATOM 0 HG23 ILE A 412 1.233 1.478 4.650 1.00 0.00 H new ATOM 0 HD11 ILE A 412 2.713 3.283 7.547 1.00 0.00 H new ATOM 0 HD12 ILE A 412 1.585 2.784 6.263 1.00 0.00 H new ATOM 0 HD13 ILE A 412 2.065 1.625 7.526 1.00 0.00 H new ATOM 459 N ASP A 413 0.533 -0.180 6.521 1.00 0.00 N ATOM 460 CA ASP A 413 -0.893 -0.476 6.500 1.00 0.00 C ATOM 461 C ASP A 413 -1.622 0.453 5.542 1.00 0.00 C ATOM 462 O ASP A 413 -1.301 1.640 5.438 1.00 0.00 O ATOM 463 CB ASP A 413 -1.468 -0.344 7.906 1.00 0.00 C ATOM 464 CG ASP A 413 -2.968 -0.590 7.966 1.00 0.00 C ATOM 465 OD1 ASP A 413 -3.742 0.376 7.817 1.00 0.00 O ATOM 466 OD2 ASP A 413 -3.379 -1.749 8.189 1.00 0.00 O ATOM 0 H ASP A 413 0.804 0.520 7.212 1.00 0.00 H new ATOM 0 HA ASP A 413 -1.032 -1.499 6.152 1.00 0.00 H new ATOM 0 HB2 ASP A 413 -0.964 -1.051 8.565 1.00 0.00 H new ATOM 0 HB3 ASP A 413 -1.255 0.655 8.286 1.00 0.00 H new ATOM 471 N VAL A 414 -2.600 -0.098 4.844 1.00 0.00 N ATOM 472 CA VAL A 414 -3.347 0.641 3.840 1.00 0.00 C ATOM 473 C VAL A 414 -4.843 0.541 4.115 1.00 0.00 C ATOM 474 O VAL A 414 -5.337 -0.512 4.526 1.00 0.00 O ATOM 475 CB VAL A 414 -3.058 0.107 2.418 1.00 0.00 C ATOM 476 CG1 VAL A 414 -3.719 0.978 1.357 1.00 0.00 C ATOM 477 CG2 VAL A 414 -1.562 0.012 2.173 1.00 0.00 C ATOM 0 H VAL A 414 -2.898 -1.067 4.956 1.00 0.00 H new ATOM 0 HA VAL A 414 -3.029 1.682 3.895 1.00 0.00 H new ATOM 0 HB VAL A 414 -3.484 -0.894 2.345 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -3.498 0.577 0.368 1.00 0.00 H new ATOM 0 HG12 VAL A 414 -4.798 0.985 1.513 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -3.335 1.995 1.431 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -1.381 -0.366 1.167 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -1.113 1.000 2.276 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -1.116 -0.666 2.901 1.00 0.00 H new ATOM 487 N ALA A 415 -5.558 1.636 3.901 1.00 0.00 N ATOM 488 CA ALA A 415 -7.001 1.642 4.068 1.00 0.00 C ATOM 489 C ALA A 415 -7.688 2.134 2.802 1.00 0.00 C ATOM 490 O ALA A 415 -7.469 3.265 2.363 1.00 0.00 O ATOM 491 CB ALA A 415 -7.396 2.501 5.258 1.00 0.00 C ATOM 0 H ALA A 415 -5.161 2.530 3.612 1.00 0.00 H new ATOM 0 HA ALA A 415 -7.327 0.619 4.257 1.00 0.00 H new ATOM 0 HB1 ALA A 415 -8.480 2.494 5.368 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -6.937 2.102 6.163 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -7.054 3.524 5.098 1.00 0.00 H new ATOM 497 N CYS A 416 -8.496 1.277 2.203 1.00 0.00 N ATOM 498 CA CYS A 416 -9.286 1.654 1.048 1.00 0.00 C ATOM 499 C CYS A 416 -10.729 1.870 1.477 1.00 0.00 C ATOM 500 O CYS A 416 -11.037 1.765 2.666 1.00 0.00 O ATOM 501 CB CYS A 416 -9.195 0.573 -0.030 1.00 0.00 C ATOM 502 SG CYS A 416 -7.513 0.338 -0.695 1.00 0.00 S ATOM 0 H CYS A 416 -8.621 0.310 2.501 1.00 0.00 H new ATOM 0 HA CYS A 416 -8.899 2.582 0.627 1.00 0.00 H new ATOM 0 HB2 CYS A 416 -9.547 -0.371 0.385 1.00 0.00 H new ATOM 0 HB3 CYS A 416 -9.867 0.832 -0.849 1.00 0.00 H new ATOM 507 N HIS A 417 -11.608 2.196 0.539 1.00 0.00 N ATOM 508 CA HIS A 417 -13.032 2.306 0.867 1.00 0.00 C ATOM 509 C HIS A 417 -13.546 0.983 1.433 1.00 0.00 C ATOM 510 O HIS A 417 -12.998 -0.080 1.150 1.00 0.00 O ATOM 511 CB HIS A 417 -13.884 2.680 -0.351 1.00 0.00 C ATOM 512 CG HIS A 417 -13.660 4.065 -0.883 1.00 0.00 C ATOM 513 ND1 HIS A 417 -14.350 4.564 -1.963 1.00 0.00 N ATOM 514 CD2 HIS A 417 -12.835 5.061 -0.476 1.00 0.00 C ATOM 515 CE1 HIS A 417 -13.960 5.799 -2.203 1.00 0.00 C ATOM 516 NE2 HIS A 417 -13.041 6.127 -1.316 1.00 0.00 N ATOM 0 H HIS A 417 -11.373 2.386 -0.435 1.00 0.00 H new ATOM 0 HA HIS A 417 -13.123 3.101 1.607 1.00 0.00 H new ATOM 0 HB2 HIS A 417 -13.684 1.964 -1.148 1.00 0.00 H new ATOM 0 HB3 HIS A 417 -14.936 2.575 -0.085 1.00 0.00 H new ATOM 0 HD2 HIS A 417 -12.145 5.023 0.354 1.00 0.00 H new ATOM 0 HE1 HIS A 417 -14.330 6.436 -2.993 1.00 0.00 H new ATOM 0 HE2 HIS A 417 -12.562 7.026 -1.263 1.00 0.00 H new ATOM 525 N PRO A 418 -14.603 1.057 2.244 1.00 0.00 N ATOM 526 CA PRO A 418 -15.242 -0.114 2.859 1.00 0.00 C ATOM 527 C PRO A 418 -15.766 -1.093 1.821 1.00 0.00 C ATOM 528 O PRO A 418 -16.762 -0.830 1.141 1.00 0.00 O ATOM 529 CB PRO A 418 -16.401 0.487 3.650 1.00 0.00 C ATOM 530 CG PRO A 418 -16.014 1.902 3.864 1.00 0.00 C ATOM 531 CD PRO A 418 -15.270 2.298 2.628 1.00 0.00 C ATOM 0 HA PRO A 418 -14.543 -0.686 3.469 1.00 0.00 H new ATOM 0 HB2 PRO A 418 -17.338 0.411 3.099 1.00 0.00 H new ATOM 0 HB3 PRO A 418 -16.546 -0.032 4.598 1.00 0.00 H new ATOM 0 HG2 PRO A 418 -16.891 2.531 4.014 1.00 0.00 H new ATOM 0 HG3 PRO A 418 -15.389 2.009 4.751 1.00 0.00 H new ATOM 0 HD2 PRO A 418 -15.942 2.655 1.848 1.00 0.00 H new ATOM 0 HD3 PRO A 418 -14.556 3.098 2.824 1.00 0.00 H new ATOM 539 N GLY A 419 -15.095 -2.222 1.716 1.00 0.00 N ATOM 540 CA GLY A 419 -15.423 -3.197 0.696 1.00 0.00 C ATOM 541 C GLY A 419 -14.273 -3.384 -0.268 1.00 0.00 C ATOM 542 O GLY A 419 -14.247 -4.328 -1.060 1.00 0.00 O ATOM 0 H GLY A 419 -14.320 -2.487 2.324 1.00 0.00 H new ATOM 0 HA2 GLY A 419 -15.667 -4.150 1.165 1.00 0.00 H new ATOM 0 HA3 GLY A 419 -16.310 -2.873 0.151 1.00 0.00 H new ATOM 546 N TYR A 420 -13.316 -2.471 -0.194 1.00 0.00 N ATOM 547 CA TYR A 420 -12.114 -2.547 -0.995 1.00 0.00 C ATOM 548 C TYR A 420 -10.913 -2.787 -0.102 1.00 0.00 C ATOM 549 O TYR A 420 -10.879 -2.335 1.044 1.00 0.00 O ATOM 550 CB TYR A 420 -11.921 -1.267 -1.811 1.00 0.00 C ATOM 551 CG TYR A 420 -12.808 -1.198 -3.030 1.00 0.00 C ATOM 552 CD1 TYR A 420 -14.178 -1.024 -2.914 1.00 0.00 C ATOM 553 CD2 TYR A 420 -12.266 -1.325 -4.297 1.00 0.00 C ATOM 554 CE1 TYR A 420 -14.985 -0.976 -4.034 1.00 0.00 C ATOM 555 CE2 TYR A 420 -13.063 -1.276 -5.422 1.00 0.00 C ATOM 556 CZ TYR A 420 -14.421 -1.105 -5.287 1.00 0.00 C ATOM 557 OH TYR A 420 -15.216 -1.060 -6.409 1.00 0.00 O ATOM 0 H TYR A 420 -13.355 -1.660 0.423 1.00 0.00 H new ATOM 0 HA TYR A 420 -12.214 -3.380 -1.690 1.00 0.00 H new ATOM 0 HB2 TYR A 420 -12.121 -0.405 -1.175 1.00 0.00 H new ATOM 0 HB3 TYR A 420 -10.879 -1.197 -2.124 1.00 0.00 H new ATOM 0 HD1 TYR A 420 -14.621 -0.925 -1.934 1.00 0.00 H new ATOM 0 HD2 TYR A 420 -11.201 -1.465 -4.407 1.00 0.00 H new ATOM 0 HE1 TYR A 420 -16.051 -0.838 -3.930 1.00 0.00 H new ATOM 0 HE2 TYR A 420 -12.623 -1.371 -6.404 1.00 0.00 H new ATOM 0 HH TYR A 420 -14.659 -1.165 -7.209 1.00 0.00 H new ATOM 567 N ALA A 421 -9.936 -3.498 -0.631 1.00 0.00 N ATOM 568 CA ALA A 421 -8.752 -3.860 0.126 1.00 0.00 C ATOM 569 C ALA A 421 -7.616 -4.210 -0.816 1.00 0.00 C ATOM 570 O ALA A 421 -7.780 -4.185 -2.036 1.00 0.00 O ATOM 571 CB ALA A 421 -9.047 -5.028 1.057 1.00 0.00 C ATOM 0 H ALA A 421 -9.939 -3.840 -1.592 1.00 0.00 H new ATOM 0 HA ALA A 421 -8.454 -3.005 0.733 1.00 0.00 H new ATOM 0 HB1 ALA A 421 -8.147 -5.284 1.616 1.00 0.00 H new ATOM 0 HB2 ALA A 421 -9.838 -4.748 1.752 1.00 0.00 H new ATOM 0 HB3 ALA A 421 -9.367 -5.889 0.470 1.00 0.00 H new ATOM 577 N LEU A 422 -6.473 -4.543 -0.246 1.00 0.00 N ATOM 578 CA LEU A 422 -5.301 -4.897 -1.026 1.00 0.00 C ATOM 579 C LEU A 422 -5.415 -6.305 -1.580 1.00 0.00 C ATOM 580 O LEU A 422 -6.210 -7.115 -1.099 1.00 0.00 O ATOM 581 CB LEU A 422 -4.052 -4.795 -0.161 1.00 0.00 C ATOM 582 CG LEU A 422 -3.680 -3.377 0.268 1.00 0.00 C ATOM 583 CD1 LEU A 422 -2.609 -3.413 1.341 1.00 0.00 C ATOM 584 CD2 LEU A 422 -3.212 -2.562 -0.925 1.00 0.00 C ATOM 0 H LEU A 422 -6.331 -4.576 0.763 1.00 0.00 H new ATOM 0 HA LEU A 422 -5.231 -4.201 -1.862 1.00 0.00 H new ATOM 0 HB2 LEU A 422 -4.196 -5.403 0.732 1.00 0.00 H new ATOM 0 HB3 LEU A 422 -3.213 -5.225 -0.708 1.00 0.00 H new ATOM 0 HG LEU A 422 -4.568 -2.898 0.681 1.00 0.00 H new ATOM 0 HD11 LEU A 422 -2.355 -2.395 1.636 1.00 0.00 H new ATOM 0 HD12 LEU A 422 -2.980 -3.960 2.208 1.00 0.00 H new ATOM 0 HD13 LEU A 422 -1.721 -3.910 0.952 1.00 0.00 H new ATOM 0 HD21 LEU A 422 -2.952 -1.555 -0.598 1.00 0.00 H new ATOM 0 HD22 LEU A 422 -2.337 -3.037 -1.369 1.00 0.00 H new ATOM 0 HD23 LEU A 422 -4.011 -2.508 -1.665 1.00 0.00 H new ATOM 596 N PRO A 423 -4.619 -6.598 -2.615 1.00 0.00 N ATOM 597 CA PRO A 423 -4.506 -7.937 -3.173 1.00 0.00 C ATOM 598 C PRO A 423 -4.277 -8.985 -2.094 1.00 0.00 C ATOM 599 O PRO A 423 -3.559 -8.744 -1.118 1.00 0.00 O ATOM 600 CB PRO A 423 -3.285 -7.832 -4.084 1.00 0.00 C ATOM 601 CG PRO A 423 -3.242 -6.403 -4.491 1.00 0.00 C ATOM 602 CD PRO A 423 -3.778 -5.625 -3.331 1.00 0.00 C ATOM 0 HA PRO A 423 -5.414 -8.249 -3.689 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -2.374 -8.123 -3.561 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -3.379 -8.488 -4.949 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -2.224 -6.096 -4.729 1.00 0.00 H new ATOM 0 HG3 PRO A 423 -3.843 -6.234 -5.385 1.00 0.00 H new ATOM 0 HD2 PRO A 423 -2.975 -5.247 -2.698 1.00 0.00 H new ATOM 0 HD3 PRO A 423 -4.357 -4.762 -3.661 1.00 0.00 H new ATOM 610 N LYS A 424 -4.915 -10.131 -2.279 1.00 0.00 N ATOM 611 CA LYS A 424 -4.811 -11.267 -1.361 1.00 0.00 C ATOM 612 C LYS A 424 -5.466 -10.954 -0.022 1.00 0.00 C ATOM 613 O LYS A 424 -5.039 -11.458 1.019 1.00 0.00 O ATOM 614 CB LYS A 424 -3.348 -11.677 -1.157 1.00 0.00 C ATOM 615 CG LYS A 424 -2.644 -12.041 -2.451 1.00 0.00 C ATOM 616 CD LYS A 424 -1.231 -12.533 -2.206 1.00 0.00 C ATOM 617 CE LYS A 424 -0.557 -12.938 -3.508 1.00 0.00 C ATOM 618 NZ LYS A 424 0.783 -13.542 -3.283 1.00 0.00 N ATOM 0 H LYS A 424 -5.526 -10.305 -3.077 1.00 0.00 H new ATOM 0 HA LYS A 424 -5.343 -12.104 -1.813 1.00 0.00 H new ATOM 0 HB2 LYS A 424 -2.812 -10.859 -0.677 1.00 0.00 H new ATOM 0 HB3 LYS A 424 -3.307 -12.528 -0.477 1.00 0.00 H new ATOM 0 HG2 LYS A 424 -3.213 -12.813 -2.969 1.00 0.00 H new ATOM 0 HG3 LYS A 424 -2.617 -11.171 -3.107 1.00 0.00 H new ATOM 0 HD2 LYS A 424 -0.649 -11.750 -1.720 1.00 0.00 H new ATOM 0 HD3 LYS A 424 -1.252 -13.383 -1.524 1.00 0.00 H new ATOM 0 HE2 LYS A 424 -1.190 -13.650 -4.037 1.00 0.00 H new ATOM 0 HE3 LYS A 424 -0.456 -12.063 -4.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 424 1.204 -13.802 -4.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 424 1.397 -12.854 -2.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 424 0.686 -14.392 -2.692 1.00 0.00 H new ATOM 632 N ALA A 425 -6.498 -10.107 -0.066 1.00 0.00 N ATOM 633 CA ALA A 425 -7.282 -9.744 1.116 1.00 0.00 C ATOM 634 C ALA A 425 -6.401 -9.167 2.221 1.00 0.00 C ATOM 635 O ALA A 425 -6.706 -9.288 3.410 1.00 0.00 O ATOM 636 CB ALA A 425 -8.064 -10.947 1.624 1.00 0.00 C ATOM 0 H ALA A 425 -6.813 -9.654 -0.924 1.00 0.00 H new ATOM 0 HA ALA A 425 -7.987 -8.967 0.821 1.00 0.00 H new ATOM 0 HB1 ALA A 425 -8.642 -10.661 2.503 1.00 0.00 H new ATOM 0 HB2 ALA A 425 -8.740 -11.297 0.844 1.00 0.00 H new ATOM 0 HB3 ALA A 425 -7.371 -11.746 1.889 1.00 0.00 H new ATOM 642 N GLN A 426 -5.321 -8.522 1.816 1.00 0.00 N ATOM 643 CA GLN A 426 -4.355 -7.982 2.755 1.00 0.00 C ATOM 644 C GLN A 426 -4.693 -6.544 3.118 1.00 0.00 C ATOM 645 O GLN A 426 -5.410 -5.857 2.391 1.00 0.00 O ATOM 646 CB GLN A 426 -2.950 -8.050 2.156 1.00 0.00 C ATOM 647 CG GLN A 426 -2.402 -9.464 2.030 1.00 0.00 C ATOM 648 CD GLN A 426 -1.099 -9.520 1.256 1.00 0.00 C ATOM 649 OE1 GLN A 426 -0.960 -8.653 0.269 1.00 0.00 O flip ATOM 650 NE2 GLN A 426 -0.232 -10.351 1.527 1.00 0.00 N flip ATOM 0 H GLN A 426 -5.091 -8.359 0.836 1.00 0.00 H new ATOM 0 HA GLN A 426 -4.390 -8.583 3.664 1.00 0.00 H new ATOM 0 HB2 GLN A 426 -2.963 -7.587 1.169 1.00 0.00 H new ATOM 0 HB3 GLN A 426 -2.273 -7.462 2.775 1.00 0.00 H new ATOM 0 HG2 GLN A 426 -2.246 -9.879 3.026 1.00 0.00 H new ATOM 0 HG3 GLN A 426 -3.142 -10.093 1.534 1.00 0.00 H new ATOM 0 HE21 GLN A 426 -0.375 -11.005 2.297 1.00 0.00 H new ATOM 0 HE22 GLN A 426 0.629 -10.386 0.982 1.00 0.00 H new ATOM 659 N THR A 427 -4.180 -6.103 4.254 1.00 0.00 N ATOM 660 CA THR A 427 -4.362 -4.736 4.699 1.00 0.00 C ATOM 661 C THR A 427 -3.014 -4.038 4.813 1.00 0.00 C ATOM 662 O THR A 427 -2.933 -2.842 5.083 1.00 0.00 O ATOM 663 CB THR A 427 -5.090 -4.697 6.054 1.00 0.00 C ATOM 664 OG1 THR A 427 -4.542 -5.698 6.926 1.00 0.00 O ATOM 665 CG2 THR A 427 -6.583 -4.932 5.874 1.00 0.00 C ATOM 0 H THR A 427 -3.629 -6.680 4.889 1.00 0.00 H new ATOM 0 HA THR A 427 -4.973 -4.214 3.963 1.00 0.00 H new ATOM 0 HB THR A 427 -4.948 -3.710 6.495 1.00 0.00 H new ATOM 0 HG1 THR A 427 -5.006 -5.670 7.789 1.00 0.00 H new ATOM 0 HG21 THR A 427 -7.076 -4.900 6.846 1.00 0.00 H new ATOM 0 HG22 THR A 427 -6.998 -4.157 5.230 1.00 0.00 H new ATOM 0 HG23 THR A 427 -6.745 -5.908 5.417 1.00 0.00 H new ATOM 673 N THR A 428 -1.957 -4.805 4.594 1.00 0.00 N ATOM 674 CA THR A 428 -0.609 -4.295 4.656 1.00 0.00 C ATOM 675 C THR A 428 0.149 -4.598 3.367 1.00 0.00 C ATOM 676 O THR A 428 0.001 -5.678 2.787 1.00 0.00 O ATOM 677 CB THR A 428 0.139 -4.935 5.829 1.00 0.00 C ATOM 678 OG1 THR A 428 -0.530 -6.141 6.231 1.00 0.00 O ATOM 679 CG2 THR A 428 0.243 -3.986 7.012 1.00 0.00 C ATOM 0 H THR A 428 -2.017 -5.798 4.369 1.00 0.00 H new ATOM 0 HA THR A 428 -0.666 -3.215 4.792 1.00 0.00 H new ATOM 0 HB THR A 428 1.151 -5.166 5.495 1.00 0.00 H new ATOM 0 HG1 THR A 428 -0.048 -6.548 6.980 1.00 0.00 H new ATOM 0 HG21 THR A 428 0.780 -4.475 7.825 1.00 0.00 H new ATOM 0 HG22 THR A 428 0.781 -3.087 6.711 1.00 0.00 H new ATOM 0 HG23 THR A 428 -0.757 -3.714 7.350 1.00 0.00 H new ATOM 687 N VAL A 429 0.951 -3.647 2.919 1.00 0.00 N ATOM 688 CA VAL A 429 1.823 -3.861 1.775 1.00 0.00 C ATOM 689 C VAL A 429 3.268 -3.947 2.228 1.00 0.00 C ATOM 690 O VAL A 429 3.730 -3.143 3.037 1.00 0.00 O ATOM 691 CB VAL A 429 1.690 -2.756 0.704 1.00 0.00 C ATOM 692 CG1 VAL A 429 0.432 -2.951 -0.125 1.00 0.00 C ATOM 693 CG2 VAL A 429 1.693 -1.376 1.343 1.00 0.00 C ATOM 0 H VAL A 429 1.017 -2.716 3.331 1.00 0.00 H new ATOM 0 HA VAL A 429 1.512 -4.800 1.318 1.00 0.00 H new ATOM 0 HB VAL A 429 2.553 -2.830 0.042 1.00 0.00 H new ATOM 0 HG11 VAL A 429 0.362 -2.160 -0.872 1.00 0.00 H new ATOM 0 HG12 VAL A 429 0.472 -3.919 -0.625 1.00 0.00 H new ATOM 0 HG13 VAL A 429 -0.442 -2.914 0.526 1.00 0.00 H new ATOM 0 HG21 VAL A 429 1.598 -0.616 0.568 1.00 0.00 H new ATOM 0 HG22 VAL A 429 0.856 -1.294 2.036 1.00 0.00 H new ATOM 0 HG23 VAL A 429 2.627 -1.228 1.884 1.00 0.00 H new ATOM 703 N THR A 430 3.961 -4.946 1.724 1.00 0.00 N ATOM 704 CA THR A 430 5.362 -5.122 2.020 1.00 0.00 C ATOM 705 C THR A 430 6.194 -4.284 1.059 1.00 0.00 C ATOM 706 O THR A 430 5.994 -4.340 -0.147 1.00 0.00 O ATOM 707 CB THR A 430 5.750 -6.607 1.897 1.00 0.00 C ATOM 708 OG1 THR A 430 4.929 -7.398 2.768 1.00 0.00 O ATOM 709 CG2 THR A 430 7.219 -6.831 2.236 1.00 0.00 C ATOM 0 H THR A 430 3.570 -5.653 1.102 1.00 0.00 H new ATOM 0 HA THR A 430 5.555 -4.796 3.042 1.00 0.00 H new ATOM 0 HB THR A 430 5.591 -6.910 0.862 1.00 0.00 H new ATOM 0 HG1 THR A 430 5.179 -8.342 2.685 1.00 0.00 H new ATOM 0 HG21 THR A 430 7.457 -7.890 2.139 1.00 0.00 H new ATOM 0 HG22 THR A 430 7.842 -6.254 1.552 1.00 0.00 H new ATOM 0 HG23 THR A 430 7.409 -6.509 3.260 1.00 0.00 H new ATOM 717 N CYS A 431 7.092 -3.481 1.590 1.00 0.00 N ATOM 718 CA CYS A 431 7.975 -2.683 0.762 1.00 0.00 C ATOM 719 C CYS A 431 8.955 -3.587 0.064 1.00 0.00 C ATOM 720 O CYS A 431 9.868 -4.112 0.694 1.00 0.00 O ATOM 721 CB CYS A 431 8.750 -1.670 1.600 1.00 0.00 C ATOM 722 SG CYS A 431 9.861 -0.613 0.622 1.00 0.00 S ATOM 0 H CYS A 431 7.231 -3.363 2.594 1.00 0.00 H new ATOM 0 HA CYS A 431 7.367 -2.144 0.036 1.00 0.00 H new ATOM 0 HB2 CYS A 431 8.042 -1.039 2.138 1.00 0.00 H new ATOM 0 HB3 CYS A 431 9.336 -2.203 2.349 1.00 0.00 H new ATOM 727 N MET A 432 8.764 -3.795 -1.226 1.00 0.00 N ATOM 728 CA MET A 432 9.691 -4.603 -1.978 1.00 0.00 C ATOM 729 C MET A 432 9.890 -4.068 -3.361 1.00 0.00 C ATOM 730 O MET A 432 8.954 -3.617 -4.019 1.00 0.00 O ATOM 731 CB MET A 432 9.284 -6.065 -2.025 1.00 0.00 C ATOM 732 CG MET A 432 9.666 -6.808 -0.766 1.00 0.00 C ATOM 733 SD MET A 432 10.137 -8.521 -1.076 1.00 0.00 S ATOM 734 CE MET A 432 10.638 -9.037 0.566 1.00 0.00 C ATOM 0 H MET A 432 7.984 -3.419 -1.765 1.00 0.00 H new ATOM 0 HA MET A 432 10.642 -4.548 -1.448 1.00 0.00 H new ATOM 0 HB2 MET A 432 8.206 -6.135 -2.173 1.00 0.00 H new ATOM 0 HB3 MET A 432 9.755 -6.543 -2.884 1.00 0.00 H new ATOM 0 HG2 MET A 432 10.495 -6.291 -0.282 1.00 0.00 H new ATOM 0 HG3 MET A 432 8.828 -6.788 -0.070 1.00 0.00 H new ATOM 0 HE1 MET A 432 10.958 -10.079 0.538 1.00 0.00 H new ATOM 0 HE2 MET A 432 11.464 -8.413 0.907 1.00 0.00 H new ATOM 0 HE3 MET A 432 9.797 -8.934 1.252 1.00 0.00 H new ATOM 744 N GLU A 433 11.143 -4.121 -3.756 1.00 0.00 N ATOM 745 CA GLU A 433 11.623 -3.607 -5.026 1.00 0.00 C ATOM 746 C GLU A 433 10.996 -2.263 -5.391 1.00 0.00 C ATOM 747 O GLU A 433 10.660 -2.022 -6.550 1.00 0.00 O ATOM 748 CB GLU A 433 11.413 -4.644 -6.110 1.00 0.00 C ATOM 749 CG GLU A 433 12.425 -5.775 -6.064 1.00 0.00 C ATOM 750 CD GLU A 433 13.850 -5.290 -6.231 1.00 0.00 C ATOM 751 OE1 GLU A 433 14.428 -4.781 -5.251 1.00 0.00 O ATOM 752 OE2 GLU A 433 14.393 -5.410 -7.348 1.00 0.00 O ATOM 0 H GLU A 433 11.881 -4.535 -3.187 1.00 0.00 H new ATOM 0 HA GLU A 433 12.691 -3.414 -4.929 1.00 0.00 H new ATOM 0 HB2 GLU A 433 10.410 -5.060 -6.016 1.00 0.00 H new ATOM 0 HB3 GLU A 433 11.467 -4.157 -7.084 1.00 0.00 H new ATOM 0 HG2 GLU A 433 12.333 -6.301 -5.114 1.00 0.00 H new ATOM 0 HG3 GLU A 433 12.196 -6.495 -6.850 1.00 0.00 H new ATOM 759 N ASN A 434 10.853 -1.393 -4.380 1.00 0.00 N ATOM 760 CA ASN A 434 10.342 -0.022 -4.559 1.00 0.00 C ATOM 761 C ASN A 434 8.848 0.007 -4.900 1.00 0.00 C ATOM 762 O ASN A 434 8.159 0.988 -4.628 1.00 0.00 O ATOM 763 CB ASN A 434 11.155 0.714 -5.639 1.00 0.00 C ATOM 764 CG ASN A 434 10.432 1.910 -6.242 1.00 0.00 C ATOM 765 OD1 ASN A 434 9.730 1.779 -7.244 1.00 0.00 O ATOM 766 ND2 ASN A 434 10.598 3.080 -5.645 1.00 0.00 N ATOM 0 H ASN A 434 11.088 -1.619 -3.413 1.00 0.00 H new ATOM 0 HA ASN A 434 10.461 0.492 -3.605 1.00 0.00 H new ATOM 0 HB2 ASN A 434 12.097 1.051 -5.205 1.00 0.00 H new ATOM 0 HB3 ASN A 434 11.404 0.012 -6.435 1.00 0.00 H new ATOM 0 HD21 ASN A 434 10.136 3.911 -6.014 1.00 0.00 H new ATOM 0 HD22 ASN A 434 11.188 3.150 -4.816 1.00 0.00 H new ATOM 773 N GLY A 435 8.343 -1.081 -5.449 1.00 0.00 N ATOM 774 CA GLY A 435 6.991 -1.074 -5.983 1.00 0.00 C ATOM 775 C GLY A 435 5.984 -1.772 -5.101 1.00 0.00 C ATOM 776 O GLY A 435 4.860 -2.022 -5.531 1.00 0.00 O ATOM 0 H GLY A 435 8.837 -1.969 -5.537 1.00 0.00 H new ATOM 0 HA2 GLY A 435 6.675 -0.042 -6.133 1.00 0.00 H new ATOM 0 HA3 GLY A 435 6.995 -1.552 -6.963 1.00 0.00 H new ATOM 780 N TRP A 436 6.373 -2.010 -3.847 1.00 0.00 N ATOM 781 CA TRP A 436 5.589 -2.760 -2.892 1.00 0.00 C ATOM 782 C TRP A 436 5.227 -4.169 -3.402 1.00 0.00 C ATOM 783 O TRP A 436 4.631 -4.330 -4.463 1.00 0.00 O ATOM 784 CB TRP A 436 4.351 -1.962 -2.550 1.00 0.00 C ATOM 785 CG TRP A 436 4.631 -0.599 -1.971 1.00 0.00 C ATOM 786 CD1 TRP A 436 4.651 0.587 -2.649 1.00 0.00 C ATOM 787 CD2 TRP A 436 4.923 -0.276 -0.603 1.00 0.00 C ATOM 788 NE1 TRP A 436 4.934 1.622 -1.791 1.00 0.00 N ATOM 789 CE2 TRP A 436 5.106 1.117 -0.532 1.00 0.00 C ATOM 790 CE3 TRP A 436 5.048 -1.028 0.567 1.00 0.00 C ATOM 791 CZ2 TRP A 436 5.405 1.772 0.658 1.00 0.00 C ATOM 792 CZ3 TRP A 436 5.346 -0.377 1.749 1.00 0.00 C ATOM 793 CH2 TRP A 436 5.523 1.009 1.787 1.00 0.00 C ATOM 0 H TRP A 436 7.260 -1.676 -3.470 1.00 0.00 H new ATOM 0 HA TRP A 436 6.188 -2.915 -1.995 1.00 0.00 H new ATOM 0 HB2 TRP A 436 3.749 -1.844 -3.451 1.00 0.00 H new ATOM 0 HB3 TRP A 436 3.752 -2.530 -1.838 1.00 0.00 H new ATOM 0 HD1 TRP A 436 4.470 0.695 -3.708 1.00 0.00 H new ATOM 0 HE1 TRP A 436 5.004 2.606 -2.051 1.00 0.00 H new ATOM 0 HE3 TRP A 436 4.914 -2.100 0.548 1.00 0.00 H new ATOM 0 HZ2 TRP A 436 5.539 2.843 0.689 1.00 0.00 H new ATOM 0 HZ3 TRP A 436 5.444 -0.949 2.660 1.00 0.00 H new ATOM 0 HH2 TRP A 436 5.758 1.487 2.727 1.00 0.00 H new ATOM 804 N SER A 437 5.566 -5.178 -2.602 1.00 0.00 N ATOM 805 CA SER A 437 5.455 -6.584 -2.984 1.00 0.00 C ATOM 806 C SER A 437 4.130 -6.919 -3.684 1.00 0.00 C ATOM 807 O SER A 437 4.138 -7.320 -4.851 1.00 0.00 O ATOM 808 CB SER A 437 5.640 -7.465 -1.744 1.00 0.00 C ATOM 809 OG SER A 437 6.951 -7.426 -1.269 1.00 0.00 O ATOM 0 H SER A 437 5.930 -5.040 -1.659 1.00 0.00 H new ATOM 0 HA SER A 437 6.242 -6.784 -3.711 1.00 0.00 H new ATOM 0 HB2 SER A 437 4.960 -7.135 -0.959 1.00 0.00 H new ATOM 0 HB3 SER A 437 5.372 -8.493 -1.986 1.00 0.00 H new ATOM 0 HG SER A 437 7.473 -8.141 -1.690 1.00 0.00 H new ATOM 815 N PRO A 438 2.970 -6.749 -3.015 1.00 0.00 N ATOM 816 CA PRO A 438 1.691 -7.142 -3.589 1.00 0.00 C ATOM 817 C PRO A 438 1.050 -6.034 -4.421 1.00 0.00 C ATOM 818 O PRO A 438 -0.008 -6.220 -5.024 1.00 0.00 O ATOM 819 CB PRO A 438 0.867 -7.437 -2.349 1.00 0.00 C ATOM 820 CG PRO A 438 1.350 -6.462 -1.331 1.00 0.00 C ATOM 821 CD PRO A 438 2.795 -6.180 -1.657 1.00 0.00 C ATOM 0 HA PRO A 438 1.779 -7.977 -4.284 1.00 0.00 H new ATOM 0 HB2 PRO A 438 -0.198 -7.312 -2.543 1.00 0.00 H new ATOM 0 HB3 PRO A 438 1.011 -8.464 -2.013 1.00 0.00 H new ATOM 0 HG2 PRO A 438 0.760 -5.546 -1.361 1.00 0.00 H new ATOM 0 HG3 PRO A 438 1.252 -6.871 -0.325 1.00 0.00 H new ATOM 0 HD2 PRO A 438 3.007 -5.111 -1.641 1.00 0.00 H new ATOM 0 HD3 PRO A 438 3.466 -6.649 -0.937 1.00 0.00 H new ATOM 829 N THR A 439 1.717 -4.887 -4.421 1.00 0.00 N ATOM 830 CA THR A 439 1.291 -3.704 -5.166 1.00 0.00 C ATOM 831 C THR A 439 0.014 -3.093 -4.574 1.00 0.00 C ATOM 832 O THR A 439 -1.068 -3.673 -4.662 1.00 0.00 O ATOM 833 CB THR A 439 1.089 -4.020 -6.662 1.00 0.00 C ATOM 834 OG1 THR A 439 2.266 -4.655 -7.182 1.00 0.00 O ATOM 835 CG2 THR A 439 0.808 -2.751 -7.456 1.00 0.00 C ATOM 0 H THR A 439 2.581 -4.748 -3.897 1.00 0.00 H new ATOM 0 HA THR A 439 2.092 -2.970 -5.077 1.00 0.00 H new ATOM 0 HB THR A 439 0.232 -4.686 -6.758 1.00 0.00 H new ATOM 0 HG1 THR A 439 2.136 -4.857 -8.132 1.00 0.00 H new ATOM 0 HG21 THR A 439 0.670 -3.003 -8.507 1.00 0.00 H new ATOM 0 HG22 THR A 439 -0.096 -2.276 -7.075 1.00 0.00 H new ATOM 0 HG23 THR A 439 1.649 -2.065 -7.355 1.00 0.00 H new ATOM 843 N PRO A 440 0.147 -1.914 -3.939 1.00 0.00 N ATOM 844 CA PRO A 440 -0.972 -1.185 -3.326 1.00 0.00 C ATOM 845 C PRO A 440 -2.107 -0.920 -4.314 1.00 0.00 C ATOM 846 O PRO A 440 -2.025 -0.030 -5.162 1.00 0.00 O ATOM 847 CB PRO A 440 -0.340 0.138 -2.858 1.00 0.00 C ATOM 848 CG PRO A 440 0.978 0.215 -3.553 1.00 0.00 C ATOM 849 CD PRO A 440 1.414 -1.200 -3.765 1.00 0.00 C ATOM 0 HA PRO A 440 -1.429 -1.756 -2.518 1.00 0.00 H new ATOM 0 HB2 PRO A 440 -0.971 0.988 -3.117 1.00 0.00 H new ATOM 0 HB3 PRO A 440 -0.215 0.152 -1.775 1.00 0.00 H new ATOM 0 HG2 PRO A 440 0.888 0.742 -4.503 1.00 0.00 H new ATOM 0 HG3 PRO A 440 1.705 0.762 -2.952 1.00 0.00 H new ATOM 0 HD2 PRO A 440 2.055 -1.297 -4.641 1.00 0.00 H new ATOM 0 HD3 PRO A 440 1.978 -1.580 -2.913 1.00 0.00 H new ATOM 857 N ARG A 441 -3.161 -1.716 -4.199 1.00 0.00 N ATOM 858 CA ARG A 441 -4.318 -1.614 -5.077 1.00 0.00 C ATOM 859 C ARG A 441 -5.591 -1.851 -4.287 1.00 0.00 C ATOM 860 O ARG A 441 -5.678 -2.816 -3.529 1.00 0.00 O ATOM 861 CB ARG A 441 -4.231 -2.646 -6.203 1.00 0.00 C ATOM 862 CG ARG A 441 -3.176 -2.340 -7.250 1.00 0.00 C ATOM 863 CD ARG A 441 -2.990 -3.506 -8.205 1.00 0.00 C ATOM 864 NE ARG A 441 -2.327 -4.640 -7.563 1.00 0.00 N ATOM 865 CZ ARG A 441 -1.745 -5.632 -8.237 1.00 0.00 C ATOM 866 NH1 ARG A 441 -1.856 -5.688 -9.559 1.00 0.00 N ATOM 867 NH2 ARG A 441 -1.062 -6.567 -7.588 1.00 0.00 N ATOM 0 H ARG A 441 -3.238 -2.450 -3.495 1.00 0.00 H new ATOM 0 HA ARG A 441 -4.332 -0.613 -5.508 1.00 0.00 H new ATOM 0 HB2 ARG A 441 -4.022 -3.624 -5.769 1.00 0.00 H new ATOM 0 HB3 ARG A 441 -5.202 -2.715 -6.692 1.00 0.00 H new ATOM 0 HG2 ARG A 441 -3.464 -1.451 -7.811 1.00 0.00 H new ATOM 0 HG3 ARG A 441 -2.229 -2.114 -6.760 1.00 0.00 H new ATOM 0 HD2 ARG A 441 -3.962 -3.822 -8.585 1.00 0.00 H new ATOM 0 HD3 ARG A 441 -2.402 -3.181 -9.064 1.00 0.00 H new ATOM 0 HE ARG A 441 -2.309 -4.674 -6.544 1.00 0.00 H new ATOM 0 HH11 ARG A 441 -2.386 -4.973 -10.057 1.00 0.00 H new ATOM 0 HH12 ARG A 441 -1.411 -6.446 -10.076 1.00 0.00 H new ATOM 0 HH21 ARG A 441 -0.982 -6.527 -6.572 1.00 0.00 H new ATOM 0 HH22 ARG A 441 -0.617 -7.325 -8.105 1.00 0.00 H new ATOM 881 N CYS A 442 -6.566 -0.977 -4.458 1.00 0.00 N ATOM 882 CA CYS A 442 -7.858 -1.159 -3.819 1.00 0.00 C ATOM 883 C CYS A 442 -8.752 -2.020 -4.697 1.00 0.00 C ATOM 884 O CYS A 442 -9.446 -1.520 -5.584 1.00 0.00 O ATOM 885 CB CYS A 442 -8.529 0.187 -3.547 1.00 0.00 C ATOM 886 SG CYS A 442 -7.558 1.301 -2.483 1.00 0.00 S ATOM 0 H CYS A 442 -6.489 -0.137 -5.031 1.00 0.00 H new ATOM 0 HA CYS A 442 -7.701 -1.659 -2.863 1.00 0.00 H new ATOM 0 HB2 CYS A 442 -8.719 0.685 -4.498 1.00 0.00 H new ATOM 0 HB3 CYS A 442 -9.498 0.010 -3.081 1.00 0.00 H new ATOM 891 N ILE A 443 -8.702 -3.316 -4.469 1.00 0.00 N ATOM 892 CA ILE A 443 -9.545 -4.249 -5.188 1.00 0.00 C ATOM 893 C ILE A 443 -10.789 -4.496 -4.359 1.00 0.00 C ATOM 894 O ILE A 443 -10.777 -4.285 -3.148 1.00 0.00 O ATOM 895 CB ILE A 443 -8.820 -5.585 -5.441 1.00 0.00 C ATOM 896 CG1 ILE A 443 -7.375 -5.323 -5.847 1.00 0.00 C ATOM 897 CG2 ILE A 443 -9.529 -6.385 -6.524 1.00 0.00 C ATOM 898 CD1 ILE A 443 -6.563 -6.580 -6.067 1.00 0.00 C ATOM 0 H ILE A 443 -8.081 -3.750 -3.786 1.00 0.00 H new ATOM 0 HA ILE A 443 -9.800 -3.823 -6.158 1.00 0.00 H new ATOM 0 HB ILE A 443 -8.834 -6.166 -4.519 1.00 0.00 H new ATOM 0 HG12 ILE A 443 -7.367 -4.732 -6.763 1.00 0.00 H new ATOM 0 HG13 ILE A 443 -6.894 -4.722 -5.075 1.00 0.00 H new ATOM 0 HG21 ILE A 443 -9.001 -7.324 -6.687 1.00 0.00 H new ATOM 0 HG22 ILE A 443 -10.552 -6.593 -6.211 1.00 0.00 H new ATOM 0 HG23 ILE A 443 -9.543 -5.811 -7.450 1.00 0.00 H new ATOM 0 HD11 ILE A 443 -5.546 -6.311 -6.353 1.00 0.00 H new ATOM 0 HD12 ILE A 443 -6.539 -7.163 -5.146 1.00 0.00 H new ATOM 0 HD13 ILE A 443 -7.018 -7.173 -6.860 1.00 0.00 H new ATOM 910 N ARG A 444 -11.855 -4.931 -4.993 1.00 0.00 N ATOM 911 CA ARG A 444 -13.105 -5.104 -4.291 1.00 0.00 C ATOM 912 C ARG A 444 -13.173 -6.499 -3.705 1.00 0.00 C ATOM 913 O ARG A 444 -13.340 -7.488 -4.420 1.00 0.00 O ATOM 914 CB ARG A 444 -14.299 -4.839 -5.202 1.00 0.00 C ATOM 915 CG ARG A 444 -15.607 -4.806 -4.443 1.00 0.00 C ATOM 916 CD ARG A 444 -16.806 -4.596 -5.356 1.00 0.00 C ATOM 917 NE ARG A 444 -17.113 -5.780 -6.159 1.00 0.00 N ATOM 918 CZ ARG A 444 -18.354 -6.181 -6.445 1.00 0.00 C ATOM 919 NH1 ARG A 444 -19.399 -5.495 -5.999 1.00 0.00 N ATOM 920 NH2 ARG A 444 -18.553 -7.270 -7.178 1.00 0.00 N ATOM 0 H ARG A 444 -11.881 -5.169 -5.984 1.00 0.00 H new ATOM 0 HA ARG A 444 -13.149 -4.375 -3.482 1.00 0.00 H new ATOM 0 HB2 ARG A 444 -14.156 -3.889 -5.716 1.00 0.00 H new ATOM 0 HB3 ARG A 444 -14.346 -5.612 -5.969 1.00 0.00 H new ATOM 0 HG2 ARG A 444 -15.730 -5.741 -3.897 1.00 0.00 H new ATOM 0 HG3 ARG A 444 -15.574 -4.007 -3.703 1.00 0.00 H new ATOM 0 HD2 ARG A 444 -17.676 -4.334 -4.754 1.00 0.00 H new ATOM 0 HD3 ARG A 444 -16.611 -3.752 -6.018 1.00 0.00 H new ATOM 0 HE ARG A 444 -16.334 -6.331 -6.521 1.00 0.00 H new ATOM 0 HH11 ARG A 444 -19.256 -4.657 -5.435 1.00 0.00 H new ATOM 0 HH12 ARG A 444 -20.345 -5.806 -6.220 1.00 0.00 H new ATOM 0 HH21 ARG A 444 -17.756 -7.804 -7.525 1.00 0.00 H new ATOM 0 HH22 ARG A 444 -19.503 -7.573 -7.394 1.00 0.00 H new ATOM 934 N VAL A 445 -13.050 -6.551 -2.393 1.00 0.00 N ATOM 935 CA VAL A 445 -12.942 -7.805 -1.671 1.00 0.00 C ATOM 936 C VAL A 445 -14.302 -8.493 -1.575 1.00 0.00 C ATOM 937 O VAL A 445 -14.382 -9.692 -1.303 1.00 0.00 O ATOM 938 CB VAL A 445 -12.360 -7.564 -0.261 1.00 0.00 C ATOM 939 CG1 VAL A 445 -13.386 -6.923 0.666 1.00 0.00 C ATOM 940 CG2 VAL A 445 -11.812 -8.853 0.333 1.00 0.00 C ATOM 0 H VAL A 445 -13.022 -5.724 -1.796 1.00 0.00 H new ATOM 0 HA VAL A 445 -12.266 -8.460 -2.221 1.00 0.00 H new ATOM 0 HB VAL A 445 -11.531 -6.864 -0.364 1.00 0.00 H new ATOM 0 HG11 VAL A 445 -12.942 -6.768 1.649 1.00 0.00 H new ATOM 0 HG12 VAL A 445 -13.699 -5.964 0.254 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -14.252 -7.578 0.759 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -11.409 -8.653 1.326 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -12.613 -9.588 0.408 1.00 0.00 H new ATOM 0 HG23 VAL A 445 -11.021 -9.242 -0.308 1.00 0.00 H new ATOM 950 N LYS A 446 -15.355 -7.722 -1.849 1.00 0.00 N ATOM 951 CA LYS A 446 -16.721 -8.205 -1.799 1.00 0.00 C ATOM 952 C LYS A 446 -17.108 -8.575 -0.373 1.00 0.00 C ATOM 953 O LYS A 446 -17.358 -7.648 0.425 1.00 0.00 O ATOM 954 CB LYS A 446 -16.901 -9.395 -2.740 1.00 0.00 C ATOM 955 CG LYS A 446 -16.702 -9.053 -4.210 1.00 0.00 C ATOM 956 CD LYS A 446 -16.537 -10.301 -5.065 1.00 0.00 C ATOM 957 CE LYS A 446 -15.079 -10.742 -5.158 1.00 0.00 C ATOM 958 NZ LYS A 446 -14.500 -11.128 -3.842 1.00 0.00 N ATOM 959 OXT LYS A 446 -17.169 -9.779 -0.060 1.00 0.00 O ATOM 0 H LYS A 446 -15.276 -6.740 -2.113 1.00 0.00 H new ATOM 0 HA LYS A 446 -17.383 -7.405 -2.131 1.00 0.00 H new ATOM 0 HB2 LYS A 446 -16.195 -10.177 -2.460 1.00 0.00 H new ATOM 0 HB3 LYS A 446 -17.902 -9.805 -2.604 1.00 0.00 H new ATOM 0 HG2 LYS A 446 -17.556 -8.478 -4.568 1.00 0.00 H new ATOM 0 HG3 LYS A 446 -15.822 -8.419 -4.319 1.00 0.00 H new ATOM 0 HD2 LYS A 446 -17.134 -11.110 -4.644 1.00 0.00 H new ATOM 0 HD3 LYS A 446 -16.922 -10.108 -6.066 1.00 0.00 H new ATOM 0 HE2 LYS A 446 -15.004 -11.587 -5.843 1.00 0.00 H new ATOM 0 HE3 LYS A 446 -14.487 -9.932 -5.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 446 -13.622 -11.665 -3.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 446 -14.291 -10.272 -3.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 446 -15.181 -11.717 -3.322 1.00 0.00 H new TER 973 LYS A 446