USER MOD reduce.3.24.130724 H: found=0, std=0, add=479, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 480 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 427 THR OG1 : rot 56:sc= 0.477 USER MOD Set 1.2: A 428 THR OG1 : rot 180:sc= 0.549 USER MOD Single : A 388 LYS NZ :NH3+ -169:sc=-0.00564 (180deg=-0.0923) USER MOD Single : A 390 TYR OH : rot 180:sc= 0 USER MOD Single : A 393 TYR OH : rot 180:sc= 0 USER MOD Single : A 396 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 398 TYR OH : rot 180:sc= 0 USER MOD Single : A 399 ASN : amide:sc= -0.452 X(o=-0.45,f=-0.45) USER MOD Single : A 400 GLN : amide:sc= -0.0726 K(o=-0.073,f=-0.83) USER MOD Single : A 401 ASN : amide:sc= -1.83! K(o=-1.8!,f=-2.7) USER MOD Single : A 402 HIS : no HD1:sc= -0.26 X(o=-0.26,f=-0.23) USER MOD Single : A 405 LYS NZ :NH3+ 165:sc= 0.128 (180deg=-0.241) USER MOD Single : A 408 GLN : amide:sc= -4.54! C(o=-4.5!,f=-2!) USER MOD Single : A 410 LYS NZ :NH3+ -166:sc= -0.021 (180deg=-0.221) USER MOD Single : A 411 SER OG : rot 180:sc= -1.98! USER MOD Single : A 417 HIS : no HD1:sc= -0.533 X(o=-0.53,f=-0.13) 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 : amide:sc= -0.0939 X(o=-0.094,f=-0.18) USER MOD Single : A 430 THR OG1 : rot 180:sc= 0 USER MOD Single : A 432 MET CE :methyl -156:sc= -0.209 (180deg=-0.918) USER MOD Single : A 434 ASN : amide:sc= -0.25 K(o=-0.25,f=-2.4!) USER MOD Single : A 437 SER OG : rot 107:sc= 0.263 USER MOD Single : A 439 THR OG1 : rot -22:sc= 0.681 USER MOD Single : A 446 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 386 18.581 0.135 -1.483 1.00 0.00 N ATOM 2 CA LEU A 386 18.572 1.198 -2.468 1.00 0.00 C ATOM 3 C LEU A 386 17.225 1.259 -3.172 1.00 0.00 C ATOM 4 O LEU A 386 16.810 2.316 -3.648 1.00 0.00 O ATOM 5 CB LEU A 386 19.684 0.966 -3.485 1.00 0.00 C ATOM 6 CG LEU A 386 21.100 0.999 -2.914 1.00 0.00 C ATOM 7 CD1 LEU A 386 22.116 0.731 -4.010 1.00 0.00 C ATOM 8 CD2 LEU A 386 21.369 2.338 -2.244 1.00 0.00 C ATOM 0 HA LEU A 386 18.741 2.149 -1.962 1.00 0.00 H new ATOM 0 HB2 LEU A 386 19.523 -0.001 -3.962 1.00 0.00 H new ATOM 0 HB3 LEU A 386 19.606 1.723 -4.265 1.00 0.00 H new ATOM 0 HG LEU A 386 21.193 0.216 -2.162 1.00 0.00 H new ATOM 0 HD11 LEU A 386 23.121 0.758 -3.589 1.00 0.00 H new ATOM 0 HD12 LEU A 386 21.931 -0.251 -4.446 1.00 0.00 H new ATOM 0 HD13 LEU A 386 22.027 1.494 -4.784 1.00 0.00 H new ATOM 0 HD21 LEU A 386 22.382 2.347 -1.842 1.00 0.00 H new ATOM 0 HD22 LEU A 386 21.262 3.139 -2.976 1.00 0.00 H new ATOM 0 HD23 LEU A 386 20.656 2.489 -1.434 1.00 0.00 H new ATOM 20 N ARG A 387 16.552 0.119 -3.234 1.00 0.00 N ATOM 21 CA ARG A 387 15.212 0.055 -3.790 1.00 0.00 C ATOM 22 C ARG A 387 14.208 0.610 -2.797 1.00 0.00 C ATOM 23 O ARG A 387 13.660 -0.119 -1.977 1.00 0.00 O ATOM 24 CB ARG A 387 14.838 -1.380 -4.163 1.00 0.00 C ATOM 25 CG ARG A 387 15.561 -1.897 -5.388 1.00 0.00 C ATOM 26 CD ARG A 387 15.261 -1.044 -6.608 1.00 0.00 C ATOM 27 NE ARG A 387 16.010 -1.488 -7.780 1.00 0.00 N ATOM 28 CZ ARG A 387 16.808 -0.699 -8.497 1.00 0.00 C ATOM 29 NH1 ARG A 387 16.961 0.578 -8.169 1.00 0.00 N ATOM 30 NH2 ARG A 387 17.451 -1.193 -9.545 1.00 0.00 N ATOM 0 H ARG A 387 16.915 -0.776 -2.905 1.00 0.00 H new ATOM 0 HA ARG A 387 15.193 0.659 -4.697 1.00 0.00 H new ATOM 0 HB2 ARG A 387 15.057 -2.034 -3.319 1.00 0.00 H new ATOM 0 HB3 ARG A 387 13.763 -1.433 -4.337 1.00 0.00 H new ATOM 0 HG2 ARG A 387 16.635 -1.905 -5.202 1.00 0.00 H new ATOM 0 HG3 ARG A 387 15.263 -2.928 -5.580 1.00 0.00 H new ATOM 0 HD2 ARG A 387 14.193 -1.082 -6.824 1.00 0.00 H new ATOM 0 HD3 ARG A 387 15.506 -0.004 -6.393 1.00 0.00 H new ATOM 0 HE ARG A 387 15.916 -2.462 -8.067 1.00 0.00 H new ATOM 0 HH11 ARG A 387 16.466 0.961 -7.363 1.00 0.00 H new ATOM 0 HH12 ARG A 387 17.574 1.177 -8.722 1.00 0.00 H new ATOM 0 HH21 ARG A 387 17.334 -2.174 -9.800 1.00 0.00 H new ATOM 0 HH22 ARG A 387 18.063 -0.593 -10.097 1.00 0.00 H new ATOM 44 N LYS A 388 13.999 1.908 -2.863 1.00 0.00 N ATOM 45 CA LYS A 388 13.033 2.557 -2.005 1.00 0.00 C ATOM 46 C LYS A 388 11.714 2.668 -2.745 1.00 0.00 C ATOM 47 O LYS A 388 11.686 2.956 -3.942 1.00 0.00 O ATOM 48 CB LYS A 388 13.545 3.925 -1.572 1.00 0.00 C ATOM 49 CG LYS A 388 14.988 3.877 -1.106 1.00 0.00 C ATOM 50 CD LYS A 388 15.446 5.198 -0.530 1.00 0.00 C ATOM 51 CE LYS A 388 16.951 5.205 -0.310 1.00 0.00 C ATOM 52 NZ LYS A 388 17.394 4.097 0.578 1.00 0.00 N ATOM 0 H LYS A 388 14.487 2.535 -3.503 1.00 0.00 H new ATOM 0 HA LYS A 388 12.881 1.966 -1.102 1.00 0.00 H new ATOM 0 HB2 LYS A 388 13.457 4.624 -2.404 1.00 0.00 H new ATOM 0 HB3 LYS A 388 12.918 4.307 -0.767 1.00 0.00 H new ATOM 0 HG2 LYS A 388 15.099 3.096 -0.354 1.00 0.00 H new ATOM 0 HG3 LYS A 388 15.630 3.606 -1.944 1.00 0.00 H new ATOM 0 HD2 LYS A 388 15.170 6.008 -1.205 1.00 0.00 H new ATOM 0 HD3 LYS A 388 14.936 5.383 0.415 1.00 0.00 H new ATOM 0 HE2 LYS A 388 17.457 5.122 -1.272 1.00 0.00 H new ATOM 0 HE3 LYS A 388 17.248 6.159 0.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 18.387 4.246 0.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 16.800 4.077 1.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 17.306 3.192 0.074 1.00 0.00 H new ATOM 66 N CYS A 389 10.634 2.416 -2.040 1.00 0.00 N ATOM 67 CA CYS A 389 9.326 2.319 -2.659 1.00 0.00 C ATOM 68 C CYS A 389 8.499 3.577 -2.428 1.00 0.00 C ATOM 69 O CYS A 389 8.389 4.073 -1.306 1.00 0.00 O ATOM 70 CB CYS A 389 8.586 1.091 -2.124 1.00 0.00 C ATOM 71 SG CYS A 389 9.334 -0.500 -2.614 1.00 0.00 S ATOM 0 H CYS A 389 10.634 2.273 -1.030 1.00 0.00 H new ATOM 0 HA CYS A 389 9.470 2.214 -3.734 1.00 0.00 H new ATOM 0 HB2 CYS A 389 8.553 1.145 -1.036 1.00 0.00 H new ATOM 0 HB3 CYS A 389 7.555 1.119 -2.476 1.00 0.00 H new ATOM 76 N TYR A 390 7.930 4.088 -3.508 1.00 0.00 N ATOM 77 CA TYR A 390 7.048 5.238 -3.453 1.00 0.00 C ATOM 78 C TYR A 390 5.633 4.776 -3.131 1.00 0.00 C ATOM 79 O TYR A 390 5.134 3.826 -3.732 1.00 0.00 O ATOM 80 CB TYR A 390 7.076 5.989 -4.791 1.00 0.00 C ATOM 81 CG TYR A 390 6.038 7.084 -4.910 1.00 0.00 C ATOM 82 CD1 TYR A 390 6.267 8.347 -4.384 1.00 0.00 C ATOM 83 CD2 TYR A 390 4.827 6.851 -5.555 1.00 0.00 C ATOM 84 CE1 TYR A 390 5.319 9.347 -4.493 1.00 0.00 C ATOM 85 CE2 TYR A 390 3.878 7.845 -5.670 1.00 0.00 C ATOM 86 CZ TYR A 390 4.127 9.088 -5.137 1.00 0.00 C ATOM 87 OH TYR A 390 3.178 10.078 -5.244 1.00 0.00 O ATOM 0 H TYR A 390 8.068 3.715 -4.447 1.00 0.00 H new ATOM 0 HA TYR A 390 7.387 5.918 -2.671 1.00 0.00 H new ATOM 0 HB2 TYR A 390 8.065 6.425 -4.929 1.00 0.00 H new ATOM 0 HB3 TYR A 390 6.927 5.273 -5.600 1.00 0.00 H new ATOM 0 HD1 TYR A 390 7.201 8.552 -3.881 1.00 0.00 H new ATOM 0 HD2 TYR A 390 4.627 5.875 -5.973 1.00 0.00 H new ATOM 0 HE1 TYR A 390 5.510 10.325 -4.077 1.00 0.00 H new ATOM 0 HE2 TYR A 390 2.944 7.648 -6.176 1.00 0.00 H new ATOM 0 HH TYR A 390 2.398 9.733 -5.726 1.00 0.00 H new ATOM 97 N PHE A 391 4.998 5.426 -2.170 1.00 0.00 N ATOM 98 CA PHE A 391 3.637 5.074 -1.802 1.00 0.00 C ATOM 99 C PHE A 391 2.649 5.770 -2.734 1.00 0.00 C ATOM 100 O PHE A 391 2.543 7.002 -2.739 1.00 0.00 O ATOM 101 CB PHE A 391 3.360 5.458 -0.350 1.00 0.00 C ATOM 102 CG PHE A 391 2.104 4.842 0.203 1.00 0.00 C ATOM 103 CD1 PHE A 391 0.882 5.477 0.063 1.00 0.00 C ATOM 104 CD2 PHE A 391 2.153 3.625 0.862 1.00 0.00 C ATOM 105 CE1 PHE A 391 -0.270 4.910 0.572 1.00 0.00 C ATOM 106 CE2 PHE A 391 1.005 3.055 1.372 1.00 0.00 C ATOM 107 CZ PHE A 391 -0.207 3.698 1.228 1.00 0.00 C ATOM 0 H PHE A 391 5.400 6.195 -1.634 1.00 0.00 H new ATOM 0 HA PHE A 391 3.515 3.995 -1.901 1.00 0.00 H new ATOM 0 HB2 PHE A 391 4.206 5.154 0.266 1.00 0.00 H new ATOM 0 HB3 PHE A 391 3.286 6.543 -0.277 1.00 0.00 H new ATOM 0 HD1 PHE A 391 0.829 6.426 -0.450 1.00 0.00 H new ATOM 0 HD2 PHE A 391 3.099 3.117 0.978 1.00 0.00 H new ATOM 0 HE1 PHE A 391 -1.218 5.414 0.457 1.00 0.00 H new ATOM 0 HE2 PHE A 391 1.055 2.105 1.884 1.00 0.00 H new ATOM 0 HZ PHE A 391 -1.106 3.253 1.629 1.00 0.00 H new ATOM 117 N PRO A 392 1.903 4.983 -3.521 1.00 0.00 N ATOM 118 CA PRO A 392 1.015 5.504 -4.553 1.00 0.00 C ATOM 119 C PRO A 392 -0.350 5.900 -4.011 1.00 0.00 C ATOM 120 O PRO A 392 -0.647 5.743 -2.823 1.00 0.00 O ATOM 121 CB PRO A 392 0.892 4.323 -5.513 1.00 0.00 C ATOM 122 CG PRO A 392 1.026 3.110 -4.654 1.00 0.00 C ATOM 123 CD PRO A 392 1.841 3.511 -3.445 1.00 0.00 C ATOM 0 HA PRO A 392 1.401 6.416 -5.009 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -0.066 4.335 -6.032 1.00 0.00 H new ATOM 0 HB3 PRO A 392 1.669 4.353 -6.277 1.00 0.00 H new ATOM 0 HG2 PRO A 392 0.046 2.741 -4.353 1.00 0.00 H new ATOM 0 HG3 PRO A 392 1.517 2.304 -5.199 1.00 0.00 H new ATOM 0 HD2 PRO A 392 1.370 3.180 -2.520 1.00 0.00 H new ATOM 0 HD3 PRO A 392 2.837 3.069 -3.472 1.00 0.00 H new ATOM 131 N TYR A 393 -1.172 6.425 -4.895 1.00 0.00 N ATOM 132 CA TYR A 393 -2.499 6.866 -4.539 1.00 0.00 C ATOM 133 C TYR A 393 -3.504 5.747 -4.761 1.00 0.00 C ATOM 134 O TYR A 393 -3.723 5.307 -5.890 1.00 0.00 O ATOM 135 CB TYR A 393 -2.870 8.096 -5.369 1.00 0.00 C ATOM 136 CG TYR A 393 -4.308 8.536 -5.205 1.00 0.00 C ATOM 137 CD1 TYR A 393 -4.754 9.073 -4.008 1.00 0.00 C ATOM 138 CD2 TYR A 393 -5.221 8.403 -6.245 1.00 0.00 C ATOM 139 CE1 TYR A 393 -6.066 9.469 -3.848 1.00 0.00 C ATOM 140 CE2 TYR A 393 -6.536 8.796 -6.092 1.00 0.00 C ATOM 141 CZ TYR A 393 -6.953 9.329 -4.891 1.00 0.00 C ATOM 142 OH TYR A 393 -8.261 9.722 -4.730 1.00 0.00 O ATOM 0 H TYR A 393 -0.937 6.557 -5.879 1.00 0.00 H new ATOM 0 HA TYR A 393 -2.517 7.134 -3.483 1.00 0.00 H new ATOM 0 HB2 TYR A 393 -2.214 8.921 -5.091 1.00 0.00 H new ATOM 0 HB3 TYR A 393 -2.684 7.882 -6.421 1.00 0.00 H new ATOM 0 HD1 TYR A 393 -4.062 9.184 -3.186 1.00 0.00 H new ATOM 0 HD2 TYR A 393 -4.897 7.986 -7.187 1.00 0.00 H new ATOM 0 HE1 TYR A 393 -6.396 9.887 -2.908 1.00 0.00 H new ATOM 0 HE2 TYR A 393 -7.234 8.686 -6.909 1.00 0.00 H new ATOM 0 HH TYR A 393 -8.756 9.558 -5.560 1.00 0.00 H new ATOM 152 N LEU A 394 -4.079 5.257 -3.675 1.00 0.00 N ATOM 153 CA LEU A 394 -5.155 4.289 -3.764 1.00 0.00 C ATOM 154 C LEU A 394 -6.451 5.015 -4.071 1.00 0.00 C ATOM 155 O LEU A 394 -6.871 5.890 -3.313 1.00 0.00 O ATOM 156 CB LEU A 394 -5.298 3.481 -2.469 1.00 0.00 C ATOM 157 CG LEU A 394 -4.143 2.529 -2.152 1.00 0.00 C ATOM 158 CD1 LEU A 394 -2.965 3.278 -1.548 1.00 0.00 C ATOM 159 CD2 LEU A 394 -4.606 1.420 -1.221 1.00 0.00 C ATOM 0 H LEU A 394 -3.818 5.515 -2.723 1.00 0.00 H new ATOM 0 HA LEU A 394 -4.921 3.586 -4.563 1.00 0.00 H new ATOM 0 HB2 LEU A 394 -5.409 4.177 -1.638 1.00 0.00 H new ATOM 0 HB3 LEU A 394 -6.219 2.900 -2.524 1.00 0.00 H new ATOM 0 HG LEU A 394 -3.811 2.080 -3.088 1.00 0.00 H new ATOM 0 HD11 LEU A 394 -2.159 2.576 -1.333 1.00 0.00 H new ATOM 0 HD12 LEU A 394 -2.612 4.031 -2.253 1.00 0.00 H new ATOM 0 HD13 LEU A 394 -3.278 3.765 -0.624 1.00 0.00 H new ATOM 0 HD21 LEU A 394 -3.771 0.753 -1.007 1.00 0.00 H new ATOM 0 HD22 LEU A 394 -4.971 1.855 -0.291 1.00 0.00 H new ATOM 0 HD23 LEU A 394 -5.408 0.856 -1.697 1.00 0.00 H new ATOM 171 N GLU A 395 -7.054 4.668 -5.196 1.00 0.00 N ATOM 172 CA GLU A 395 -8.286 5.299 -5.636 1.00 0.00 C ATOM 173 C GLU A 395 -9.397 5.088 -4.619 1.00 0.00 C ATOM 174 O GLU A 395 -9.900 3.976 -4.458 1.00 0.00 O ATOM 175 CB GLU A 395 -8.701 4.747 -6.996 1.00 0.00 C ATOM 176 CG GLU A 395 -7.666 4.995 -8.082 1.00 0.00 C ATOM 177 CD GLU A 395 -8.065 4.407 -9.418 1.00 0.00 C ATOM 178 OE1 GLU A 395 -8.890 5.027 -10.122 1.00 0.00 O ATOM 179 OE2 GLU A 395 -7.545 3.332 -9.777 1.00 0.00 O ATOM 0 H GLU A 395 -6.706 3.946 -5.826 1.00 0.00 H new ATOM 0 HA GLU A 395 -8.109 6.371 -5.728 1.00 0.00 H new ATOM 0 HB2 GLU A 395 -8.877 3.675 -6.908 1.00 0.00 H new ATOM 0 HB3 GLU A 395 -9.646 5.202 -7.293 1.00 0.00 H new ATOM 0 HG2 GLU A 395 -7.513 6.068 -8.194 1.00 0.00 H new ATOM 0 HG3 GLU A 395 -6.712 4.568 -7.773 1.00 0.00 H new ATOM 186 N ASN A 396 -9.758 6.170 -3.934 1.00 0.00 N ATOM 187 CA ASN A 396 -10.777 6.144 -2.890 1.00 0.00 C ATOM 188 C ASN A 396 -10.303 5.318 -1.702 1.00 0.00 C ATOM 189 O ASN A 396 -11.030 4.470 -1.188 1.00 0.00 O ATOM 190 CB ASN A 396 -12.114 5.594 -3.414 1.00 0.00 C ATOM 191 CG ASN A 396 -12.673 6.396 -4.574 1.00 0.00 C ATOM 192 OD1 ASN A 396 -13.367 7.394 -4.377 1.00 0.00 O ATOM 193 ND2 ASN A 396 -12.397 5.955 -5.793 1.00 0.00 N ATOM 0 H ASN A 396 -9.350 7.092 -4.088 1.00 0.00 H new ATOM 0 HA ASN A 396 -10.940 7.173 -2.568 1.00 0.00 H new ATOM 0 HB2 ASN A 396 -11.976 4.559 -3.728 1.00 0.00 H new ATOM 0 HB3 ASN A 396 -12.841 5.587 -2.601 1.00 0.00 H new ATOM 0 HD21 ASN A 396 -12.763 6.446 -6.608 1.00 0.00 H new ATOM 0 HD22 ASN A 396 -11.818 5.124 -5.916 1.00 0.00 H new ATOM 200 N GLY A 397 -9.079 5.579 -1.265 1.00 0.00 N ATOM 201 CA GLY A 397 -8.525 4.864 -0.134 1.00 0.00 C ATOM 202 C GLY A 397 -7.985 5.806 0.917 1.00 0.00 C ATOM 203 O GLY A 397 -8.073 7.026 0.764 1.00 0.00 O ATOM 0 H GLY A 397 -8.458 6.276 -1.676 1.00 0.00 H new ATOM 0 HA2 GLY A 397 -9.294 4.230 0.307 1.00 0.00 H new ATOM 0 HA3 GLY A 397 -7.727 4.205 -0.476 1.00 0.00 H new ATOM 207 N TYR A 398 -7.429 5.257 1.988 1.00 0.00 N ATOM 208 CA TYR A 398 -6.843 6.078 3.035 1.00 0.00 C ATOM 209 C TYR A 398 -5.349 6.228 2.819 1.00 0.00 C ATOM 210 O TYR A 398 -4.534 5.549 3.447 1.00 0.00 O ATOM 211 CB TYR A 398 -7.142 5.493 4.414 1.00 0.00 C ATOM 212 CG TYR A 398 -8.578 5.693 4.822 1.00 0.00 C ATOM 213 CD1 TYR A 398 -8.996 6.906 5.349 1.00 0.00 C ATOM 214 CD2 TYR A 398 -9.518 4.684 4.668 1.00 0.00 C ATOM 215 CE1 TYR A 398 -10.312 7.111 5.709 1.00 0.00 C ATOM 216 CE2 TYR A 398 -10.837 4.879 5.030 1.00 0.00 C ATOM 217 CZ TYR A 398 -11.228 6.095 5.550 1.00 0.00 C ATOM 218 OH TYR A 398 -12.541 6.305 5.894 1.00 0.00 O ATOM 0 H TYR A 398 -7.372 4.252 2.153 1.00 0.00 H new ATOM 0 HA TYR A 398 -7.294 7.069 2.988 1.00 0.00 H new ATOM 0 HB2 TYR A 398 -6.913 4.427 4.411 1.00 0.00 H new ATOM 0 HB3 TYR A 398 -6.489 5.958 5.153 1.00 0.00 H new ATOM 0 HD1 TYR A 398 -8.279 7.703 5.480 1.00 0.00 H new ATOM 0 HD2 TYR A 398 -9.214 3.732 4.259 1.00 0.00 H new ATOM 0 HE1 TYR A 398 -10.622 8.063 6.113 1.00 0.00 H new ATOM 0 HE2 TYR A 398 -11.557 4.084 4.907 1.00 0.00 H new ATOM 0 HH TYR A 398 -13.059 5.491 5.721 1.00 0.00 H new ATOM 228 N ASN A 399 -5.002 7.134 1.920 1.00 0.00 N ATOM 229 CA ASN A 399 -3.611 7.372 1.558 1.00 0.00 C ATOM 230 C ASN A 399 -2.950 8.325 2.528 1.00 0.00 C ATOM 231 O ASN A 399 -2.593 9.448 2.171 1.00 0.00 O ATOM 232 CB ASN A 399 -3.478 7.927 0.140 1.00 0.00 C ATOM 233 CG ASN A 399 -4.775 8.471 -0.425 1.00 0.00 C ATOM 234 OD1 ASN A 399 -5.073 9.655 -0.290 1.00 0.00 O ATOM 235 ND2 ASN A 399 -5.556 7.612 -1.058 1.00 0.00 N ATOM 0 H ASN A 399 -5.670 7.723 1.422 1.00 0.00 H new ATOM 0 HA ASN A 399 -3.109 6.405 1.602 1.00 0.00 H new ATOM 0 HB2 ASN A 399 -2.730 8.720 0.138 1.00 0.00 H new ATOM 0 HB3 ASN A 399 -3.108 7.139 -0.516 1.00 0.00 H new ATOM 0 HD21 ASN A 399 -6.442 7.925 -1.455 1.00 0.00 H new ATOM 0 HD22 ASN A 399 -5.273 6.636 -1.149 1.00 0.00 H new ATOM 242 N GLN A 400 -2.767 7.866 3.752 1.00 0.00 N ATOM 243 CA GLN A 400 -2.088 8.651 4.762 1.00 0.00 C ATOM 244 C GLN A 400 -0.623 8.847 4.386 1.00 0.00 C ATOM 245 O GLN A 400 0.041 9.738 4.902 1.00 0.00 O ATOM 246 CB GLN A 400 -2.193 7.962 6.120 1.00 0.00 C ATOM 247 CG GLN A 400 -3.625 7.739 6.581 1.00 0.00 C ATOM 248 CD GLN A 400 -4.419 9.027 6.693 1.00 0.00 C ATOM 249 OE1 GLN A 400 -3.866 10.096 6.955 1.00 0.00 O ATOM 250 NE2 GLN A 400 -5.724 8.934 6.500 1.00 0.00 N ATOM 0 H GLN A 400 -3.081 6.949 4.070 1.00 0.00 H new ATOM 0 HA GLN A 400 -2.566 9.629 4.823 1.00 0.00 H new ATOM 0 HB2 GLN A 400 -1.682 7.000 6.070 1.00 0.00 H new ATOM 0 HB3 GLN A 400 -1.670 8.563 6.864 1.00 0.00 H new ATOM 0 HG2 GLN A 400 -4.126 7.070 5.882 1.00 0.00 H new ATOM 0 HG3 GLN A 400 -3.615 7.239 7.550 1.00 0.00 H new ATOM 0 HE21 GLN A 400 -6.145 8.030 6.285 1.00 0.00 H new ATOM 0 HE22 GLN A 400 -6.310 9.766 6.566 1.00 0.00 H new ATOM 259 N ASN A 401 -0.140 8.022 3.459 1.00 0.00 N ATOM 260 CA ASN A 401 1.270 8.028 3.098 1.00 0.00 C ATOM 261 C ASN A 401 1.500 8.405 1.636 1.00 0.00 C ATOM 262 O ASN A 401 2.619 8.289 1.144 1.00 0.00 O ATOM 263 CB ASN A 401 1.897 6.655 3.358 1.00 0.00 C ATOM 264 CG ASN A 401 1.914 6.273 4.822 1.00 0.00 C ATOM 265 OD1 ASN A 401 2.049 7.119 5.700 1.00 0.00 O ATOM 266 ND2 ASN A 401 1.775 4.989 5.092 1.00 0.00 N ATOM 0 H ASN A 401 -0.705 7.344 2.947 1.00 0.00 H new ATOM 0 HA ASN A 401 1.743 8.785 3.723 1.00 0.00 H new ATOM 0 HB2 ASN A 401 1.345 5.899 2.799 1.00 0.00 H new ATOM 0 HB3 ASN A 401 2.918 6.651 2.977 1.00 0.00 H new ATOM 0 HD21 ASN A 401 1.777 4.668 6.060 1.00 0.00 H new ATOM 0 HD22 ASN A 401 1.665 4.317 4.332 1.00 0.00 H new ATOM 273 N HIS A 402 0.452 8.832 0.931 1.00 0.00 N ATOM 274 CA HIS A 402 0.600 9.228 -0.474 1.00 0.00 C ATOM 275 C HIS A 402 1.719 10.251 -0.651 1.00 0.00 C ATOM 276 O HIS A 402 1.701 11.319 -0.041 1.00 0.00 O ATOM 277 CB HIS A 402 -0.712 9.794 -1.030 1.00 0.00 C ATOM 278 CG HIS A 402 -0.590 10.354 -2.416 1.00 0.00 C ATOM 279 ND1 HIS A 402 -0.957 11.640 -2.746 1.00 0.00 N ATOM 280 CD2 HIS A 402 -0.150 9.786 -3.563 1.00 0.00 C ATOM 281 CE1 HIS A 402 -0.749 11.838 -4.032 1.00 0.00 C ATOM 282 NE2 HIS A 402 -0.260 10.728 -4.548 1.00 0.00 N ATOM 0 H HIS A 402 -0.495 8.913 1.300 1.00 0.00 H new ATOM 0 HA HIS A 402 0.861 8.330 -1.033 1.00 0.00 H new ATOM 0 HB2 HIS A 402 -1.465 9.006 -1.031 1.00 0.00 H new ATOM 0 HB3 HIS A 402 -1.071 10.577 -0.362 1.00 0.00 H new ATOM 0 HD2 HIS A 402 0.219 8.778 -3.679 1.00 0.00 H new ATOM 0 HE1 HIS A 402 -0.946 12.753 -4.571 1.00 0.00 H new ATOM 0 HE2 HIS A 402 -0.004 10.593 -5.526 1.00 0.00 H new ATOM 291 N GLY A 403 2.697 9.897 -1.476 1.00 0.00 N ATOM 292 CA GLY A 403 3.783 10.808 -1.773 1.00 0.00 C ATOM 293 C GLY A 403 5.045 10.438 -1.027 1.00 0.00 C ATOM 294 O GLY A 403 6.150 10.806 -1.428 1.00 0.00 O ATOM 0 H GLY A 403 2.756 8.993 -1.945 1.00 0.00 H new ATOM 0 HA2 GLY A 403 3.979 10.802 -2.845 1.00 0.00 H new ATOM 0 HA3 GLY A 403 3.489 11.824 -1.508 1.00 0.00 H new ATOM 298 N ARG A 404 4.877 9.686 0.051 1.00 0.00 N ATOM 299 CA ARG A 404 5.996 9.295 0.891 1.00 0.00 C ATOM 300 C ARG A 404 6.768 8.148 0.265 1.00 0.00 C ATOM 301 O ARG A 404 6.269 7.451 -0.622 1.00 0.00 O ATOM 302 CB ARG A 404 5.505 8.898 2.277 1.00 0.00 C ATOM 303 CG ARG A 404 4.852 10.042 3.023 1.00 0.00 C ATOM 304 CD ARG A 404 4.155 9.556 4.274 1.00 0.00 C ATOM 305 NE ARG A 404 3.392 10.619 4.923 1.00 0.00 N ATOM 306 CZ ARG A 404 2.930 10.545 6.171 1.00 0.00 C ATOM 307 NH1 ARG A 404 3.158 9.466 6.907 1.00 0.00 N ATOM 308 NH2 ARG A 404 2.231 11.547 6.680 1.00 0.00 N ATOM 0 H ARG A 404 3.972 9.334 0.364 1.00 0.00 H new ATOM 0 HA ARG A 404 6.665 10.151 0.983 1.00 0.00 H new ATOM 0 HB2 ARG A 404 4.792 8.079 2.183 1.00 0.00 H new ATOM 0 HB3 ARG A 404 6.346 8.524 2.861 1.00 0.00 H new ATOM 0 HG2 ARG A 404 5.606 10.783 3.289 1.00 0.00 H new ATOM 0 HG3 ARG A 404 4.132 10.539 2.373 1.00 0.00 H new ATOM 0 HD2 ARG A 404 3.487 8.733 4.020 1.00 0.00 H new ATOM 0 HD3 ARG A 404 4.894 9.163 4.972 1.00 0.00 H new ATOM 0 HE ARG A 404 3.202 11.468 4.390 1.00 0.00 H new ATOM 0 HH11 ARG A 404 3.690 8.687 6.519 1.00 0.00 H new ATOM 0 HH12 ARG A 404 2.802 9.415 7.861 1.00 0.00 H new ATOM 0 HH21 ARG A 404 2.045 12.377 6.117 1.00 0.00 H new ATOM 0 HH22 ARG A 404 1.878 11.489 7.635 1.00 0.00 H new ATOM 322 N LYS A 405 7.986 7.957 0.732 1.00 0.00 N ATOM 323 CA LYS A 405 8.870 6.955 0.174 1.00 0.00 C ATOM 324 C LYS A 405 9.484 6.116 1.282 1.00 0.00 C ATOM 325 O LYS A 405 10.142 6.637 2.183 1.00 0.00 O ATOM 326 CB LYS A 405 9.947 7.644 -0.657 1.00 0.00 C ATOM 327 CG LYS A 405 9.365 8.444 -1.807 1.00 0.00 C ATOM 328 CD LYS A 405 10.381 9.375 -2.437 1.00 0.00 C ATOM 329 CE LYS A 405 9.721 10.278 -3.467 1.00 0.00 C ATOM 330 NZ LYS A 405 8.635 11.106 -2.871 1.00 0.00 N ATOM 0 H LYS A 405 8.388 8.489 1.504 1.00 0.00 H new ATOM 0 HA LYS A 405 8.303 6.284 -0.472 1.00 0.00 H new ATOM 0 HB2 LYS A 405 10.530 8.305 -0.016 1.00 0.00 H new ATOM 0 HB3 LYS A 405 10.634 6.895 -1.050 1.00 0.00 H new ATOM 0 HG2 LYS A 405 8.984 7.760 -2.565 1.00 0.00 H new ATOM 0 HG3 LYS A 405 8.517 9.026 -1.448 1.00 0.00 H new ATOM 0 HD2 LYS A 405 10.853 9.982 -1.664 1.00 0.00 H new ATOM 0 HD3 LYS A 405 11.170 8.792 -2.911 1.00 0.00 H new ATOM 0 HE2 LYS A 405 10.472 10.931 -3.911 1.00 0.00 H new ATOM 0 HE3 LYS A 405 9.312 9.669 -4.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 405 8.386 11.875 -3.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 405 7.799 10.512 -2.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 405 8.961 11.510 -1.970 1.00 0.00 H new ATOM 344 N PHE A 406 9.250 4.820 1.219 1.00 0.00 N ATOM 345 CA PHE A 406 9.703 3.911 2.255 1.00 0.00 C ATOM 346 C PHE A 406 10.849 3.054 1.746 1.00 0.00 C ATOM 347 O PHE A 406 10.808 2.535 0.634 1.00 0.00 O ATOM 348 CB PHE A 406 8.550 3.022 2.725 1.00 0.00 C ATOM 349 CG PHE A 406 7.444 3.772 3.418 1.00 0.00 C ATOM 350 CD1 PHE A 406 6.432 4.382 2.688 1.00 0.00 C ATOM 351 CD2 PHE A 406 7.414 3.863 4.801 1.00 0.00 C ATOM 352 CE1 PHE A 406 5.417 5.068 3.326 1.00 0.00 C ATOM 353 CE2 PHE A 406 6.400 4.547 5.441 1.00 0.00 C ATOM 354 CZ PHE A 406 5.401 5.149 4.704 1.00 0.00 C ATOM 0 H PHE A 406 8.745 4.370 0.456 1.00 0.00 H new ATOM 0 HA PHE A 406 10.057 4.502 3.100 1.00 0.00 H new ATOM 0 HB2 PHE A 406 8.136 2.496 1.865 1.00 0.00 H new ATOM 0 HB3 PHE A 406 8.942 2.264 3.403 1.00 0.00 H new ATOM 0 HD1 PHE A 406 6.439 4.319 1.610 1.00 0.00 H new ATOM 0 HD2 PHE A 406 8.192 3.394 5.384 1.00 0.00 H new ATOM 0 HE1 PHE A 406 4.637 5.540 2.748 1.00 0.00 H new ATOM 0 HE2 PHE A 406 6.389 4.611 6.519 1.00 0.00 H new ATOM 0 HZ PHE A 406 4.607 5.683 5.205 1.00 0.00 H new ATOM 364 N VAL A 407 11.873 2.923 2.569 1.00 0.00 N ATOM 365 CA VAL A 407 13.042 2.131 2.225 1.00 0.00 C ATOM 366 C VAL A 407 12.690 0.640 2.188 1.00 0.00 C ATOM 367 O VAL A 407 11.775 0.191 2.880 1.00 0.00 O ATOM 368 CB VAL A 407 14.190 2.393 3.234 1.00 0.00 C ATOM 369 CG1 VAL A 407 13.773 2.005 4.645 1.00 0.00 C ATOM 370 CG2 VAL A 407 15.464 1.670 2.826 1.00 0.00 C ATOM 0 H VAL A 407 11.919 3.359 3.490 1.00 0.00 H new ATOM 0 HA VAL A 407 13.380 2.429 1.232 1.00 0.00 H new ATOM 0 HB VAL A 407 14.400 3.463 3.224 1.00 0.00 H new ATOM 0 HG11 VAL A 407 14.596 2.198 5.334 1.00 0.00 H new ATOM 0 HG12 VAL A 407 12.905 2.593 4.942 1.00 0.00 H new ATOM 0 HG13 VAL A 407 13.520 0.945 4.671 1.00 0.00 H new ATOM 0 HG21 VAL A 407 16.248 1.875 3.555 1.00 0.00 H new ATOM 0 HG22 VAL A 407 15.277 0.597 2.787 1.00 0.00 H new ATOM 0 HG23 VAL A 407 15.782 2.019 1.843 1.00 0.00 H new ATOM 380 N GLN A 408 13.404 -0.101 1.349 1.00 0.00 N ATOM 381 CA GLN A 408 13.226 -1.544 1.224 1.00 0.00 C ATOM 382 C GLN A 408 13.286 -2.219 2.589 1.00 0.00 C ATOM 383 O GLN A 408 14.244 -2.036 3.338 1.00 0.00 O ATOM 384 CB GLN A 408 14.315 -2.102 0.309 1.00 0.00 C ATOM 385 CG GLN A 408 14.250 -3.599 0.079 1.00 0.00 C ATOM 386 CD GLN A 408 15.414 -4.078 -0.763 1.00 0.00 C ATOM 387 OE1 GLN A 408 16.465 -4.441 -0.238 1.00 0.00 O ATOM 388 NE2 GLN A 408 15.249 -4.049 -2.073 1.00 0.00 N ATOM 0 H GLN A 408 14.123 0.281 0.735 1.00 0.00 H new ATOM 0 HA GLN A 408 12.245 -1.747 0.795 1.00 0.00 H new ATOM 0 HB2 GLN A 408 14.252 -1.598 -0.655 1.00 0.00 H new ATOM 0 HB3 GLN A 408 15.288 -1.856 0.735 1.00 0.00 H new ATOM 0 HG2 GLN A 408 14.255 -4.117 1.038 1.00 0.00 H new ATOM 0 HG3 GLN A 408 13.312 -3.853 -0.415 1.00 0.00 H new ATOM 0 HE21 GLN A 408 14.361 -3.741 -2.468 1.00 0.00 H new ATOM 0 HE22 GLN A 408 16.010 -4.335 -2.689 1.00 0.00 H new ATOM 397 N GLY A 409 12.262 -2.997 2.900 1.00 0.00 N ATOM 398 CA GLY A 409 12.173 -3.626 4.199 1.00 0.00 C ATOM 399 C GLY A 409 11.114 -2.981 5.066 1.00 0.00 C ATOM 400 O GLY A 409 10.757 -3.507 6.122 1.00 0.00 O ATOM 0 H GLY A 409 11.486 -3.205 2.271 1.00 0.00 H new ATOM 0 HA2 GLY A 409 11.945 -4.685 4.075 1.00 0.00 H new ATOM 0 HA3 GLY A 409 13.139 -3.564 4.699 1.00 0.00 H new ATOM 404 N LYS A 410 10.607 -1.839 4.617 1.00 0.00 N ATOM 405 CA LYS A 410 9.577 -1.119 5.343 1.00 0.00 C ATOM 406 C LYS A 410 8.199 -1.639 4.989 1.00 0.00 C ATOM 407 O LYS A 410 7.897 -1.912 3.825 1.00 0.00 O ATOM 408 CB LYS A 410 9.667 0.378 5.046 1.00 0.00 C ATOM 409 CG LYS A 410 10.665 1.120 5.918 1.00 0.00 C ATOM 410 CD LYS A 410 10.083 1.430 7.286 1.00 0.00 C ATOM 411 CE LYS A 410 11.132 1.976 8.241 1.00 0.00 C ATOM 412 NZ LYS A 410 12.150 0.951 8.587 1.00 0.00 N ATOM 0 H LYS A 410 10.897 -1.392 3.747 1.00 0.00 H new ATOM 0 HA LYS A 410 9.739 -1.280 6.409 1.00 0.00 H new ATOM 0 HB2 LYS A 410 9.941 0.515 4.000 1.00 0.00 H new ATOM 0 HB3 LYS A 410 8.681 0.824 5.178 1.00 0.00 H new ATOM 0 HG2 LYS A 410 11.567 0.519 6.033 1.00 0.00 H new ATOM 0 HG3 LYS A 410 10.960 2.048 5.428 1.00 0.00 H new ATOM 0 HD2 LYS A 410 9.276 2.155 7.181 1.00 0.00 H new ATOM 0 HD3 LYS A 410 9.645 0.525 7.707 1.00 0.00 H new ATOM 0 HE2 LYS A 410 11.623 2.837 7.788 1.00 0.00 H new ATOM 0 HE3 LYS A 410 10.647 2.328 9.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 410 12.702 1.273 9.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 410 11.676 0.055 8.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 410 12.786 0.806 7.777 1.00 0.00 H new ATOM 426 N SER A 411 7.381 -1.785 6.008 1.00 0.00 N ATOM 427 CA SER A 411 6.026 -2.257 5.850 1.00 0.00 C ATOM 428 C SER A 411 5.050 -1.180 6.290 1.00 0.00 C ATOM 429 O SER A 411 5.445 -0.183 6.897 1.00 0.00 O ATOM 430 CB SER A 411 5.835 -3.519 6.683 1.00 0.00 C ATOM 431 OG SER A 411 4.509 -4.015 6.603 1.00 0.00 O ATOM 0 H SER A 411 7.640 -1.578 6.973 1.00 0.00 H new ATOM 0 HA SER A 411 5.837 -2.488 4.802 1.00 0.00 H new ATOM 0 HB2 SER A 411 6.530 -4.286 6.342 1.00 0.00 H new ATOM 0 HB3 SER A 411 6.080 -3.307 7.724 1.00 0.00 H new ATOM 0 HG SER A 411 4.429 -4.825 7.149 1.00 0.00 H new ATOM 437 N ILE A 412 3.787 -1.386 5.977 1.00 0.00 N ATOM 438 CA ILE A 412 2.737 -0.466 6.378 1.00 0.00 C ATOM 439 C ILE A 412 1.366 -1.062 6.105 1.00 0.00 C ATOM 440 O ILE A 412 1.119 -1.634 5.045 1.00 0.00 O ATOM 441 CB ILE A 412 2.858 0.904 5.670 1.00 0.00 C ATOM 442 CG1 ILE A 412 1.732 1.835 6.116 1.00 0.00 C ATOM 443 CG2 ILE A 412 2.854 0.749 4.155 1.00 0.00 C ATOM 444 CD1 ILE A 412 1.812 2.234 7.573 1.00 0.00 C ATOM 0 H ILE A 412 3.459 -2.189 5.441 1.00 0.00 H new ATOM 0 HA ILE A 412 2.855 -0.302 7.449 1.00 0.00 H new ATOM 0 HB ILE A 412 3.813 1.345 5.956 1.00 0.00 H new ATOM 0 HG12 ILE A 412 1.752 2.735 5.501 1.00 0.00 H new ATOM 0 HG13 ILE A 412 0.775 1.346 5.935 1.00 0.00 H new ATOM 0 HG21 ILE A 412 2.940 1.730 3.689 1.00 0.00 H new ATOM 0 HG22 ILE A 412 3.696 0.127 3.851 1.00 0.00 H new ATOM 0 HG23 ILE A 412 1.923 0.278 3.840 1.00 0.00 H new ATOM 0 HD11 ILE A 412 0.980 2.895 7.815 1.00 0.00 H new ATOM 0 HD12 ILE A 412 1.761 1.342 8.198 1.00 0.00 H new ATOM 0 HD13 ILE A 412 2.753 2.753 7.757 1.00 0.00 H new ATOM 456 N ASP A 413 0.489 -0.948 7.083 1.00 0.00 N ATOM 457 CA ASP A 413 -0.875 -1.420 6.941 1.00 0.00 C ATOM 458 C ASP A 413 -1.708 -0.389 6.194 1.00 0.00 C ATOM 459 O ASP A 413 -1.784 0.778 6.586 1.00 0.00 O ATOM 460 CB ASP A 413 -1.490 -1.736 8.311 1.00 0.00 C ATOM 461 CG ASP A 413 -1.539 -0.536 9.233 1.00 0.00 C ATOM 462 OD1 ASP A 413 -0.473 -0.096 9.711 1.00 0.00 O ATOM 463 OD2 ASP A 413 -2.652 -0.044 9.510 1.00 0.00 O ATOM 0 H ASP A 413 0.698 -0.530 7.990 1.00 0.00 H new ATOM 0 HA ASP A 413 -0.866 -2.344 6.362 1.00 0.00 H new ATOM 0 HB2 ASP A 413 -2.501 -2.119 8.169 1.00 0.00 H new ATOM 0 HB3 ASP A 413 -0.913 -2.529 8.787 1.00 0.00 H new ATOM 468 N VAL A 414 -2.308 -0.815 5.094 1.00 0.00 N ATOM 469 CA VAL A 414 -3.053 0.098 4.239 1.00 0.00 C ATOM 470 C VAL A 414 -4.502 -0.327 4.098 1.00 0.00 C ATOM 471 O VAL A 414 -4.806 -1.509 3.913 1.00 0.00 O ATOM 472 CB VAL A 414 -2.402 0.222 2.846 1.00 0.00 C ATOM 473 CG1 VAL A 414 -3.203 1.153 1.947 1.00 0.00 C ATOM 474 CG2 VAL A 414 -0.975 0.722 2.980 1.00 0.00 C ATOM 0 H VAL A 414 -2.295 -1.783 4.772 1.00 0.00 H new ATOM 0 HA VAL A 414 -3.027 1.075 4.722 1.00 0.00 H new ATOM 0 HB VAL A 414 -2.393 -0.766 2.386 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -2.721 1.221 0.972 1.00 0.00 H new ATOM 0 HG12 VAL A 414 -4.213 0.762 1.826 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -3.250 2.144 2.399 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -0.525 0.806 1.991 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -0.976 1.699 3.463 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -0.399 0.020 3.583 1.00 0.00 H new ATOM 484 N ALA A 415 -5.389 0.651 4.193 1.00 0.00 N ATOM 485 CA ALA A 415 -6.810 0.408 4.077 1.00 0.00 C ATOM 486 C ALA A 415 -7.436 1.352 3.056 1.00 0.00 C ATOM 487 O ALA A 415 -6.971 2.479 2.867 1.00 0.00 O ATOM 488 CB ALA A 415 -7.482 0.579 5.429 1.00 0.00 C ATOM 0 H ALA A 415 -5.142 1.628 4.352 1.00 0.00 H new ATOM 0 HA ALA A 415 -6.958 -0.616 3.735 1.00 0.00 H new ATOM 0 HB1 ALA A 415 -8.552 0.394 5.330 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -7.055 -0.129 6.139 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -7.322 1.595 5.789 1.00 0.00 H new ATOM 494 N CYS A 416 -8.476 0.883 2.392 1.00 0.00 N ATOM 495 CA CYS A 416 -9.202 1.695 1.430 1.00 0.00 C ATOM 496 C CYS A 416 -10.521 2.153 2.055 1.00 0.00 C ATOM 497 O CYS A 416 -10.762 1.896 3.236 1.00 0.00 O ATOM 498 CB CYS A 416 -9.464 0.886 0.157 1.00 0.00 C ATOM 499 SG CYS A 416 -9.514 1.882 -1.373 1.00 0.00 S ATOM 0 H CYS A 416 -8.840 -0.063 2.502 1.00 0.00 H new ATOM 0 HA CYS A 416 -8.609 2.570 1.164 1.00 0.00 H new ATOM 0 HB2 CYS A 416 -8.688 0.127 0.057 1.00 0.00 H new ATOM 0 HB3 CYS A 416 -10.412 0.359 0.264 1.00 0.00 H new ATOM 504 N HIS A 417 -11.369 2.832 1.288 1.00 0.00 N ATOM 505 CA HIS A 417 -12.681 3.231 1.799 1.00 0.00 C ATOM 506 C HIS A 417 -13.601 2.016 1.886 1.00 0.00 C ATOM 507 O HIS A 417 -13.290 0.959 1.329 1.00 0.00 O ATOM 508 CB HIS A 417 -13.328 4.312 0.919 1.00 0.00 C ATOM 509 CG HIS A 417 -12.659 5.652 0.991 1.00 0.00 C ATOM 510 ND1 HIS A 417 -12.991 6.699 0.159 1.00 0.00 N ATOM 511 CD2 HIS A 417 -11.677 6.115 1.799 1.00 0.00 C ATOM 512 CE1 HIS A 417 -12.241 7.745 0.449 1.00 0.00 C ATOM 513 NE2 HIS A 417 -11.436 7.419 1.442 1.00 0.00 N ATOM 0 H HIS A 417 -11.179 3.115 0.327 1.00 0.00 H new ATOM 0 HA HIS A 417 -12.535 3.651 2.794 1.00 0.00 H new ATOM 0 HB2 HIS A 417 -13.322 3.972 -0.117 1.00 0.00 H new ATOM 0 HB3 HIS A 417 -14.372 4.425 1.212 1.00 0.00 H new ATOM 0 HD2 HIS A 417 -11.176 5.562 2.580 1.00 0.00 H new ATOM 0 HE1 HIS A 417 -12.280 8.706 -0.043 1.00 0.00 H new ATOM 0 HE2 HIS A 417 -10.747 8.035 1.874 1.00 0.00 H new ATOM 522 N PRO A 418 -14.741 2.145 2.590 1.00 0.00 N ATOM 523 CA PRO A 418 -15.700 1.052 2.750 1.00 0.00 C ATOM 524 C PRO A 418 -16.198 0.534 1.408 1.00 0.00 C ATOM 525 O PRO A 418 -16.885 1.242 0.667 1.00 0.00 O ATOM 526 CB PRO A 418 -16.846 1.690 3.541 1.00 0.00 C ATOM 527 CG PRO A 418 -16.225 2.845 4.235 1.00 0.00 C ATOM 528 CD PRO A 418 -15.195 3.363 3.281 1.00 0.00 C ATOM 0 HA PRO A 418 -15.260 0.188 3.248 1.00 0.00 H new ATOM 0 HB2 PRO A 418 -17.652 2.011 2.881 1.00 0.00 H new ATOM 0 HB3 PRO A 418 -17.277 0.985 4.252 1.00 0.00 H new ATOM 0 HG2 PRO A 418 -16.966 3.609 4.469 1.00 0.00 H new ATOM 0 HG3 PRO A 418 -15.772 2.541 5.178 1.00 0.00 H new ATOM 0 HD2 PRO A 418 -15.618 4.088 2.585 1.00 0.00 H new ATOM 0 HD3 PRO A 418 -14.377 3.860 3.802 1.00 0.00 H new ATOM 536 N GLY A 419 -15.832 -0.693 1.092 1.00 0.00 N ATOM 537 CA GLY A 419 -16.209 -1.274 -0.173 1.00 0.00 C ATOM 538 C GLY A 419 -15.001 -1.668 -0.991 1.00 0.00 C ATOM 539 O GLY A 419 -15.100 -2.497 -1.890 1.00 0.00 O ATOM 0 H GLY A 419 -15.276 -1.301 1.694 1.00 0.00 H new ATOM 0 HA2 GLY A 419 -16.832 -2.151 0.001 1.00 0.00 H new ATOM 0 HA3 GLY A 419 -16.812 -0.561 -0.735 1.00 0.00 H new ATOM 543 N TYR A 420 -13.854 -1.078 -0.680 1.00 0.00 N ATOM 544 CA TYR A 420 -12.619 -1.406 -1.371 1.00 0.00 C ATOM 545 C TYR A 420 -11.663 -2.101 -0.412 1.00 0.00 C ATOM 546 O TYR A 420 -11.561 -1.724 0.758 1.00 0.00 O ATOM 547 CB TYR A 420 -11.948 -0.150 -1.929 1.00 0.00 C ATOM 548 CG TYR A 420 -12.767 0.631 -2.933 1.00 0.00 C ATOM 549 CD1 TYR A 420 -13.713 1.559 -2.518 1.00 0.00 C ATOM 550 CD2 TYR A 420 -12.576 0.455 -4.296 1.00 0.00 C ATOM 551 CE1 TYR A 420 -14.450 2.285 -3.434 1.00 0.00 C ATOM 552 CE2 TYR A 420 -13.305 1.180 -5.218 1.00 0.00 C ATOM 553 CZ TYR A 420 -14.240 2.094 -4.783 1.00 0.00 C ATOM 554 OH TYR A 420 -14.969 2.820 -5.699 1.00 0.00 O ATOM 0 H TYR A 420 -13.756 -0.370 0.047 1.00 0.00 H new ATOM 0 HA TYR A 420 -12.862 -2.068 -2.202 1.00 0.00 H new ATOM 0 HB2 TYR A 420 -11.700 0.509 -1.097 1.00 0.00 H new ATOM 0 HB3 TYR A 420 -11.008 -0.439 -2.399 1.00 0.00 H new ATOM 0 HD1 TYR A 420 -13.875 1.716 -1.462 1.00 0.00 H new ATOM 0 HD2 TYR A 420 -11.845 -0.261 -4.642 1.00 0.00 H new ATOM 0 HE1 TYR A 420 -15.187 2.998 -3.095 1.00 0.00 H new ATOM 0 HE2 TYR A 420 -13.143 1.031 -6.275 1.00 0.00 H new ATOM 0 HH TYR A 420 -14.699 2.567 -6.606 1.00 0.00 H new ATOM 564 N ALA A 421 -10.969 -3.111 -0.903 1.00 0.00 N ATOM 565 CA ALA A 421 -10.014 -3.845 -0.089 1.00 0.00 C ATOM 566 C ALA A 421 -8.859 -4.339 -0.946 1.00 0.00 C ATOM 567 O ALA A 421 -8.922 -4.287 -2.173 1.00 0.00 O ATOM 568 CB ALA A 421 -10.700 -5.015 0.604 1.00 0.00 C ATOM 0 H ALA A 421 -11.048 -3.444 -1.864 1.00 0.00 H new ATOM 0 HA ALA A 421 -9.617 -3.174 0.673 1.00 0.00 H new ATOM 0 HB1 ALA A 421 -9.973 -5.556 1.210 1.00 0.00 H new ATOM 0 HB2 ALA A 421 -11.499 -4.641 1.244 1.00 0.00 H new ATOM 0 HB3 ALA A 421 -11.119 -5.687 -0.145 1.00 0.00 H new ATOM 574 N LEU A 422 -7.801 -4.806 -0.302 1.00 0.00 N ATOM 575 CA LEU A 422 -6.660 -5.343 -1.026 1.00 0.00 C ATOM 576 C LEU A 422 -6.949 -6.752 -1.522 1.00 0.00 C ATOM 577 O LEU A 422 -7.572 -7.555 -0.825 1.00 0.00 O ATOM 578 CB LEU A 422 -5.400 -5.333 -0.161 1.00 0.00 C ATOM 579 CG LEU A 422 -4.724 -3.969 -0.014 1.00 0.00 C ATOM 580 CD1 LEU A 422 -3.708 -3.992 1.118 1.00 0.00 C ATOM 581 CD2 LEU A 422 -4.046 -3.576 -1.316 1.00 0.00 C ATOM 0 H LEU A 422 -7.709 -4.824 0.714 1.00 0.00 H new ATOM 0 HA LEU A 422 -6.484 -4.700 -1.888 1.00 0.00 H new ATOM 0 HB2 LEU A 422 -5.657 -5.703 0.832 1.00 0.00 H new ATOM 0 HB3 LEU A 422 -4.681 -6.033 -0.586 1.00 0.00 H new ATOM 0 HG LEU A 422 -5.490 -3.230 0.224 1.00 0.00 H new ATOM 0 HD11 LEU A 422 -3.239 -3.012 1.206 1.00 0.00 H new ATOM 0 HD12 LEU A 422 -4.211 -4.238 2.053 1.00 0.00 H new ATOM 0 HD13 LEU A 422 -2.946 -4.742 0.907 1.00 0.00 H new ATOM 0 HD21 LEU A 422 -3.569 -2.603 -1.198 1.00 0.00 H new ATOM 0 HD22 LEU A 422 -3.293 -4.321 -1.574 1.00 0.00 H new ATOM 0 HD23 LEU A 422 -4.789 -3.521 -2.111 1.00 0.00 H new ATOM 593 N PRO A 423 -6.492 -7.043 -2.743 1.00 0.00 N ATOM 594 CA PRO A 423 -6.780 -8.290 -3.464 1.00 0.00 C ATOM 595 C PRO A 423 -6.634 -9.537 -2.613 1.00 0.00 C ATOM 596 O PRO A 423 -7.597 -10.269 -2.366 1.00 0.00 O ATOM 597 CB PRO A 423 -5.744 -8.276 -4.584 1.00 0.00 C ATOM 598 CG PRO A 423 -5.547 -6.828 -4.864 1.00 0.00 C ATOM 599 CD PRO A 423 -5.644 -6.140 -3.533 1.00 0.00 C ATOM 0 HA PRO A 423 -7.815 -8.328 -3.803 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -4.814 -8.754 -4.276 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -6.100 -8.810 -5.465 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -4.578 -6.647 -5.328 1.00 0.00 H new ATOM 0 HG3 PRO A 423 -6.305 -6.456 -5.553 1.00 0.00 H new ATOM 0 HD2 PRO A 423 -4.663 -6.008 -3.076 1.00 0.00 H new ATOM 0 HD3 PRO A 423 -6.089 -5.149 -3.625 1.00 0.00 H new ATOM 607 N LYS A 424 -5.432 -9.730 -2.133 1.00 0.00 N ATOM 608 CA LYS A 424 -5.060 -10.925 -1.387 1.00 0.00 C ATOM 609 C LYS A 424 -5.477 -10.841 0.081 1.00 0.00 C ATOM 610 O LYS A 424 -4.869 -11.485 0.936 1.00 0.00 O ATOM 611 CB LYS A 424 -3.548 -11.137 -1.482 1.00 0.00 C ATOM 612 CG LYS A 424 -3.047 -11.309 -2.907 1.00 0.00 C ATOM 613 CD LYS A 424 -3.509 -12.627 -3.499 1.00 0.00 C ATOM 614 CE LYS A 424 -3.140 -12.739 -4.967 1.00 0.00 C ATOM 615 NZ LYS A 424 -3.395 -14.103 -5.495 1.00 0.00 N ATOM 0 H LYS A 424 -4.670 -9.061 -2.245 1.00 0.00 H new ATOM 0 HA LYS A 424 -5.588 -11.770 -1.830 1.00 0.00 H new ATOM 0 HB2 LYS A 424 -3.041 -10.286 -1.027 1.00 0.00 H new ATOM 0 HB3 LYS A 424 -3.276 -12.018 -0.901 1.00 0.00 H new ATOM 0 HG2 LYS A 424 -3.407 -10.485 -3.523 1.00 0.00 H new ATOM 0 HG3 LYS A 424 -1.958 -11.264 -2.920 1.00 0.00 H new ATOM 0 HD2 LYS A 424 -3.060 -13.452 -2.946 1.00 0.00 H new ATOM 0 HD3 LYS A 424 -4.589 -12.718 -3.387 1.00 0.00 H new ATOM 0 HE2 LYS A 424 -3.714 -12.013 -5.543 1.00 0.00 H new ATOM 0 HE3 LYS A 424 -2.087 -12.489 -5.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 424 -3.131 -14.141 -6.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 424 -2.828 -14.793 -4.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 424 -4.404 -14.332 -5.393 1.00 0.00 H new ATOM 629 N ALA A 425 -6.512 -10.048 0.357 1.00 0.00 N ATOM 630 CA ALA A 425 -7.025 -9.867 1.716 1.00 0.00 C ATOM 631 C ALA A 425 -5.909 -9.449 2.667 1.00 0.00 C ATOM 632 O ALA A 425 -5.802 -9.943 3.794 1.00 0.00 O ATOM 633 CB ALA A 425 -7.707 -11.136 2.206 1.00 0.00 C ATOM 0 H ALA A 425 -7.017 -9.515 -0.351 1.00 0.00 H new ATOM 0 HA ALA A 425 -7.766 -9.068 1.696 1.00 0.00 H new ATOM 0 HB1 ALA A 425 -8.081 -10.980 3.218 1.00 0.00 H new ATOM 0 HB2 ALA A 425 -8.539 -11.381 1.545 1.00 0.00 H new ATOM 0 HB3 ALA A 425 -6.990 -11.957 2.206 1.00 0.00 H new ATOM 639 N GLN A 426 -5.076 -8.534 2.194 1.00 0.00 N ATOM 640 CA GLN A 426 -3.931 -8.071 2.949 1.00 0.00 C ATOM 641 C GLN A 426 -4.299 -6.861 3.787 1.00 0.00 C ATOM 642 O GLN A 426 -5.127 -6.042 3.389 1.00 0.00 O ATOM 643 CB GLN A 426 -2.797 -7.711 1.994 1.00 0.00 C ATOM 644 CG GLN A 426 -2.230 -8.902 1.241 1.00 0.00 C ATOM 645 CD GLN A 426 -1.599 -9.929 2.162 1.00 0.00 C ATOM 646 OE1 GLN A 426 -2.265 -10.849 2.632 1.00 0.00 O ATOM 647 NE2 GLN A 426 -0.308 -9.780 2.426 1.00 0.00 N ATOM 0 H GLN A 426 -5.178 -8.095 1.279 1.00 0.00 H new ATOM 0 HA GLN A 426 -3.606 -8.870 3.615 1.00 0.00 H new ATOM 0 HB2 GLN A 426 -3.159 -6.977 1.274 1.00 0.00 H new ATOM 0 HB3 GLN A 426 -1.996 -7.235 2.559 1.00 0.00 H new ATOM 0 HG2 GLN A 426 -3.026 -9.376 0.666 1.00 0.00 H new ATOM 0 HG3 GLN A 426 -1.484 -8.554 0.526 1.00 0.00 H new ATOM 0 HE21 GLN A 426 0.210 -9.003 2.016 1.00 0.00 H new ATOM 0 HE22 GLN A 426 0.167 -10.443 3.039 1.00 0.00 H new ATOM 656 N THR A 427 -3.681 -6.752 4.946 1.00 0.00 N ATOM 657 CA THR A 427 -3.891 -5.613 5.811 1.00 0.00 C ATOM 658 C THR A 427 -2.705 -4.687 5.684 1.00 0.00 C ATOM 659 O THR A 427 -2.749 -3.521 6.059 1.00 0.00 O ATOM 660 CB THR A 427 -4.028 -6.056 7.278 1.00 0.00 C ATOM 661 OG1 THR A 427 -2.928 -6.909 7.621 1.00 0.00 O ATOM 662 CG2 THR A 427 -5.338 -6.793 7.509 1.00 0.00 C ATOM 0 H THR A 427 -3.026 -7.444 5.310 1.00 0.00 H new ATOM 0 HA THR A 427 -4.810 -5.108 5.515 1.00 0.00 H new ATOM 0 HB THR A 427 -4.022 -5.167 7.909 1.00 0.00 H new ATOM 0 HG1 THR A 427 -2.085 -6.444 7.439 1.00 0.00 H new ATOM 0 HG21 THR A 427 -5.407 -7.094 8.554 1.00 0.00 H new ATOM 0 HG22 THR A 427 -6.173 -6.136 7.265 1.00 0.00 H new ATOM 0 HG23 THR A 427 -5.375 -7.678 6.874 1.00 0.00 H new ATOM 670 N THR A 428 -1.649 -5.235 5.113 1.00 0.00 N ATOM 671 CA THR A 428 -0.364 -4.587 5.090 1.00 0.00 C ATOM 672 C THR A 428 0.267 -4.691 3.702 1.00 0.00 C ATOM 673 O THR A 428 -0.113 -5.547 2.898 1.00 0.00 O ATOM 674 CB THR A 428 0.561 -5.273 6.105 1.00 0.00 C ATOM 675 OG1 THR A 428 -0.192 -6.152 6.958 1.00 0.00 O ATOM 676 CG2 THR A 428 1.309 -4.265 6.958 1.00 0.00 C ATOM 0 H THR A 428 -1.665 -6.145 4.652 1.00 0.00 H new ATOM 0 HA THR A 428 -0.498 -3.535 5.342 1.00 0.00 H new ATOM 0 HB THR A 428 1.291 -5.849 5.536 1.00 0.00 H new ATOM 0 HG1 THR A 428 0.412 -6.583 7.598 1.00 0.00 H new ATOM 0 HG21 THR A 428 1.952 -4.791 7.663 1.00 0.00 H new ATOM 0 HG22 THR A 428 1.918 -3.627 6.317 1.00 0.00 H new ATOM 0 HG23 THR A 428 0.595 -3.652 7.507 1.00 0.00 H new ATOM 684 N VAL A 429 1.219 -3.814 3.428 1.00 0.00 N ATOM 685 CA VAL A 429 1.995 -3.860 2.198 1.00 0.00 C ATOM 686 C VAL A 429 3.425 -3.439 2.480 1.00 0.00 C ATOM 687 O VAL A 429 3.661 -2.496 3.234 1.00 0.00 O ATOM 688 CB VAL A 429 1.370 -2.977 1.092 1.00 0.00 C ATOM 689 CG1 VAL A 429 0.965 -1.617 1.628 1.00 0.00 C ATOM 690 CG2 VAL A 429 2.312 -2.811 -0.067 1.00 0.00 C ATOM 0 H VAL A 429 1.476 -3.049 4.052 1.00 0.00 H new ATOM 0 HA VAL A 429 1.989 -4.886 1.829 1.00 0.00 H new ATOM 0 HB VAL A 429 0.473 -3.489 0.743 1.00 0.00 H new ATOM 0 HG11 VAL A 429 0.530 -1.024 0.824 1.00 0.00 H new ATOM 0 HG12 VAL A 429 0.231 -1.743 2.424 1.00 0.00 H new ATOM 0 HG13 VAL A 429 1.843 -1.105 2.022 1.00 0.00 H new ATOM 0 HG21 VAL A 429 1.845 -2.186 -0.828 1.00 0.00 H new ATOM 0 HG22 VAL A 429 3.232 -2.338 0.277 1.00 0.00 H new ATOM 0 HG23 VAL A 429 2.543 -3.788 -0.491 1.00 0.00 H new ATOM 700 N THR A 430 4.383 -4.163 1.913 1.00 0.00 N ATOM 701 CA THR A 430 5.765 -3.905 2.236 1.00 0.00 C ATOM 702 C THR A 430 6.637 -3.757 1.000 1.00 0.00 C ATOM 703 O THR A 430 6.364 -4.346 -0.047 1.00 0.00 O ATOM 704 CB THR A 430 6.358 -5.015 3.130 1.00 0.00 C ATOM 705 OG1 THR A 430 6.864 -6.091 2.328 1.00 0.00 O ATOM 706 CG2 THR A 430 5.318 -5.579 4.084 1.00 0.00 C ATOM 0 H THR A 430 4.226 -4.916 1.243 1.00 0.00 H new ATOM 0 HA THR A 430 5.765 -2.959 2.777 1.00 0.00 H new ATOM 0 HB THR A 430 7.165 -4.561 3.706 1.00 0.00 H new ATOM 0 HG1 THR A 430 7.238 -6.785 2.910 1.00 0.00 H new ATOM 0 HG21 THR A 430 5.771 -6.358 4.697 1.00 0.00 H new ATOM 0 HG22 THR A 430 4.944 -4.782 4.727 1.00 0.00 H new ATOM 0 HG23 THR A 430 4.492 -6.002 3.513 1.00 0.00 H new ATOM 714 N CYS A 431 7.689 -2.956 1.141 1.00 0.00 N ATOM 715 CA CYS A 431 8.686 -2.785 0.100 1.00 0.00 C ATOM 716 C CYS A 431 9.687 -3.931 0.189 1.00 0.00 C ATOM 717 O CYS A 431 10.764 -3.782 0.763 1.00 0.00 O ATOM 718 CB CYS A 431 9.395 -1.436 0.279 1.00 0.00 C ATOM 719 SG CYS A 431 10.545 -1.002 -1.065 1.00 0.00 S ATOM 0 H CYS A 431 7.870 -2.409 1.982 1.00 0.00 H new ATOM 0 HA CYS A 431 8.211 -2.795 -0.881 1.00 0.00 H new ATOM 0 HB2 CYS A 431 8.642 -0.652 0.363 1.00 0.00 H new ATOM 0 HB3 CYS A 431 9.945 -1.451 1.220 1.00 0.00 H new ATOM 724 N MET A 432 9.310 -5.081 -0.358 1.00 0.00 N ATOM 725 CA MET A 432 10.096 -6.302 -0.191 1.00 0.00 C ATOM 726 C MET A 432 11.453 -6.201 -0.884 1.00 0.00 C ATOM 727 O MET A 432 12.483 -6.519 -0.291 1.00 0.00 O ATOM 728 CB MET A 432 9.314 -7.526 -0.700 1.00 0.00 C ATOM 729 CG MET A 432 9.068 -7.520 -2.198 1.00 0.00 C ATOM 730 SD MET A 432 8.336 -9.051 -2.812 1.00 0.00 S ATOM 731 CE MET A 432 9.603 -10.237 -2.366 1.00 0.00 C ATOM 0 H MET A 432 8.467 -5.195 -0.920 1.00 0.00 H new ATOM 0 HA MET A 432 10.283 -6.428 0.876 1.00 0.00 H new ATOM 0 HB2 MET A 432 9.862 -8.430 -0.435 1.00 0.00 H new ATOM 0 HB3 MET A 432 8.355 -7.572 -0.184 1.00 0.00 H new ATOM 0 HG2 MET A 432 8.411 -6.687 -2.447 1.00 0.00 H new ATOM 0 HG3 MET A 432 10.013 -7.346 -2.713 1.00 0.00 H new ATOM 0 HE1 MET A 432 9.530 -11.109 -3.016 1.00 0.00 H new ATOM 0 HE2 MET A 432 10.586 -9.780 -2.481 1.00 0.00 H new ATOM 0 HE3 MET A 432 9.465 -10.544 -1.329 1.00 0.00 H new ATOM 741 N GLU A 433 11.451 -5.735 -2.123 1.00 0.00 N ATOM 742 CA GLU A 433 12.666 -5.638 -2.917 1.00 0.00 C ATOM 743 C GLU A 433 12.347 -4.977 -4.241 1.00 0.00 C ATOM 744 O GLU A 433 12.872 -3.916 -4.565 1.00 0.00 O ATOM 745 CB GLU A 433 13.270 -7.024 -3.164 1.00 0.00 C ATOM 746 CG GLU A 433 14.598 -6.988 -3.903 1.00 0.00 C ATOM 747 CD GLU A 433 15.179 -8.368 -4.116 1.00 0.00 C ATOM 748 OE1 GLU A 433 15.914 -8.852 -3.229 1.00 0.00 O ATOM 749 OE2 GLU A 433 14.906 -8.978 -5.173 1.00 0.00 O ATOM 0 H GLU A 433 10.611 -5.415 -2.605 1.00 0.00 H new ATOM 0 HA GLU A 433 13.394 -5.040 -2.369 1.00 0.00 H new ATOM 0 HB2 GLU A 433 13.410 -7.525 -2.206 1.00 0.00 H new ATOM 0 HB3 GLU A 433 12.562 -7.623 -3.737 1.00 0.00 H new ATOM 0 HG2 GLU A 433 14.460 -6.502 -4.869 1.00 0.00 H new ATOM 0 HG3 GLU A 433 15.307 -6.381 -3.340 1.00 0.00 H new ATOM 756 N ASN A 434 11.456 -5.606 -4.986 1.00 0.00 N ATOM 757 CA ASN A 434 11.034 -5.099 -6.279 1.00 0.00 C ATOM 758 C ASN A 434 9.754 -4.281 -6.140 1.00 0.00 C ATOM 759 O ASN A 434 8.890 -4.291 -7.018 1.00 0.00 O ATOM 760 CB ASN A 434 10.841 -6.258 -7.268 1.00 0.00 C ATOM 761 CG ASN A 434 10.006 -7.404 -6.711 1.00 0.00 C ATOM 762 OD1 ASN A 434 9.119 -7.206 -5.881 1.00 0.00 O ATOM 763 ND2 ASN A 434 10.306 -8.617 -7.151 1.00 0.00 N ATOM 0 H ASN A 434 11.006 -6.480 -4.713 1.00 0.00 H new ATOM 0 HA ASN A 434 11.812 -4.443 -6.669 1.00 0.00 H new ATOM 0 HB2 ASN A 434 10.364 -5.878 -8.171 1.00 0.00 H new ATOM 0 HB3 ASN A 434 11.819 -6.641 -7.561 1.00 0.00 H new ATOM 0 HD21 ASN A 434 9.795 -9.427 -6.801 1.00 0.00 H new ATOM 0 HD22 ASN A 434 11.048 -8.741 -7.840 1.00 0.00 H new ATOM 770 N GLY A 435 9.648 -3.564 -5.030 1.00 0.00 N ATOM 771 CA GLY A 435 8.492 -2.734 -4.783 1.00 0.00 C ATOM 772 C GLY A 435 7.605 -3.290 -3.688 1.00 0.00 C ATOM 773 O GLY A 435 7.963 -4.268 -3.022 1.00 0.00 O ATOM 0 H GLY A 435 10.351 -3.545 -4.291 1.00 0.00 H new ATOM 0 HA2 GLY A 435 8.820 -1.732 -4.507 1.00 0.00 H new ATOM 0 HA3 GLY A 435 7.914 -2.639 -5.702 1.00 0.00 H new ATOM 777 N TRP A 436 6.465 -2.639 -3.486 1.00 0.00 N ATOM 778 CA TRP A 436 5.436 -3.119 -2.571 1.00 0.00 C ATOM 779 C TRP A 436 4.935 -4.484 -3.041 1.00 0.00 C ATOM 780 O TRP A 436 4.333 -4.599 -4.110 1.00 0.00 O ATOM 781 CB TRP A 436 4.267 -2.134 -2.555 1.00 0.00 C ATOM 782 CG TRP A 436 4.632 -0.733 -2.163 1.00 0.00 C ATOM 783 CD1 TRP A 436 4.635 0.367 -2.974 1.00 0.00 C ATOM 784 CD2 TRP A 436 5.030 -0.275 -0.866 1.00 0.00 C ATOM 785 NE1 TRP A 436 5.002 1.477 -2.260 1.00 0.00 N ATOM 786 CE2 TRP A 436 5.251 1.111 -0.964 1.00 0.00 C ATOM 787 CE3 TRP A 436 5.219 -0.903 0.369 1.00 0.00 C ATOM 788 CZ2 TRP A 436 5.648 1.880 0.126 1.00 0.00 C ATOM 789 CZ3 TRP A 436 5.615 -0.139 1.451 1.00 0.00 C ATOM 790 CH2 TRP A 436 5.823 1.239 1.323 1.00 0.00 C ATOM 0 H TRP A 436 6.228 -1.763 -3.952 1.00 0.00 H new ATOM 0 HA TRP A 436 5.855 -3.206 -1.569 1.00 0.00 H new ATOM 0 HB2 TRP A 436 3.814 -2.113 -3.546 1.00 0.00 H new ATOM 0 HB3 TRP A 436 3.508 -2.503 -1.865 1.00 0.00 H new ATOM 0 HD1 TRP A 436 4.385 0.362 -4.025 1.00 0.00 H new ATOM 0 HE1 TRP A 436 5.078 2.423 -2.633 1.00 0.00 H new ATOM 0 HE3 TRP A 436 5.059 -1.966 0.476 1.00 0.00 H new ATOM 0 HZ2 TRP A 436 5.812 2.943 0.031 1.00 0.00 H new ATOM 0 HZ3 TRP A 436 5.766 -0.613 2.410 1.00 0.00 H new ATOM 0 HH2 TRP A 436 6.128 1.809 2.188 1.00 0.00 H new ATOM 801 N SER A 437 5.163 -5.502 -2.221 1.00 0.00 N ATOM 802 CA SER A 437 4.875 -6.880 -2.601 1.00 0.00 C ATOM 803 C SER A 437 3.366 -7.117 -2.753 1.00 0.00 C ATOM 804 O SER A 437 2.925 -7.594 -3.797 1.00 0.00 O ATOM 805 CB SER A 437 5.502 -7.847 -1.595 1.00 0.00 C ATOM 806 OG SER A 437 5.161 -9.195 -1.873 1.00 0.00 O ATOM 0 H SER A 437 5.549 -5.398 -1.283 1.00 0.00 H new ATOM 0 HA SER A 437 5.322 -7.069 -3.577 1.00 0.00 H new ATOM 0 HB2 SER A 437 6.586 -7.736 -1.612 1.00 0.00 H new ATOM 0 HB3 SER A 437 5.171 -7.589 -0.589 1.00 0.00 H new ATOM 0 HG SER A 437 5.939 -9.659 -2.247 1.00 0.00 H new ATOM 812 N PRO A 438 2.546 -6.800 -1.724 1.00 0.00 N ATOM 813 CA PRO A 438 1.084 -6.824 -1.853 1.00 0.00 C ATOM 814 C PRO A 438 0.595 -5.778 -2.847 1.00 0.00 C ATOM 815 O PRO A 438 -0.415 -5.975 -3.522 1.00 0.00 O ATOM 816 CB PRO A 438 0.600 -6.474 -0.440 1.00 0.00 C ATOM 817 CG PRO A 438 1.738 -6.821 0.441 1.00 0.00 C ATOM 818 CD PRO A 438 2.949 -6.456 -0.351 1.00 0.00 C ATOM 0 HA PRO A 438 0.714 -7.782 -2.220 1.00 0.00 H new ATOM 0 HB2 PRO A 438 0.344 -5.418 -0.359 1.00 0.00 H new ATOM 0 HB3 PRO A 438 -0.293 -7.040 -0.175 1.00 0.00 H new ATOM 0 HG2 PRO A 438 1.696 -6.268 1.380 1.00 0.00 H new ATOM 0 HG3 PRO A 438 1.734 -7.881 0.695 1.00 0.00 H new ATOM 0 HD2 PRO A 438 3.195 -5.399 -0.253 1.00 0.00 H new ATOM 0 HD3 PRO A 438 3.827 -7.018 -0.033 1.00 0.00 H new ATOM 826 N THR A 439 1.349 -4.684 -2.931 1.00 0.00 N ATOM 827 CA THR A 439 1.017 -3.548 -3.786 1.00 0.00 C ATOM 828 C THR A 439 -0.230 -2.805 -3.275 1.00 0.00 C ATOM 829 O THR A 439 -1.320 -3.371 -3.203 1.00 0.00 O ATOM 830 CB THR A 439 0.804 -3.982 -5.253 1.00 0.00 C ATOM 831 OG1 THR A 439 1.882 -4.833 -5.677 1.00 0.00 O ATOM 832 CG2 THR A 439 0.729 -2.770 -6.168 1.00 0.00 C ATOM 0 H THR A 439 2.213 -4.561 -2.404 1.00 0.00 H new ATOM 0 HA THR A 439 1.868 -2.868 -3.748 1.00 0.00 H new ATOM 0 HB THR A 439 -0.138 -4.528 -5.312 1.00 0.00 H new ATOM 0 HG1 THR A 439 2.665 -4.676 -5.109 1.00 0.00 H new ATOM 0 HG21 THR A 439 0.579 -3.099 -7.196 1.00 0.00 H new ATOM 0 HG22 THR A 439 -0.104 -2.136 -5.865 1.00 0.00 H new ATOM 0 HG23 THR A 439 1.659 -2.205 -6.100 1.00 0.00 H new ATOM 840 N PRO A 440 -0.070 -1.523 -2.902 1.00 0.00 N ATOM 841 CA PRO A 440 -1.171 -0.695 -2.407 1.00 0.00 C ATOM 842 C PRO A 440 -2.178 -0.353 -3.504 1.00 0.00 C ATOM 843 O PRO A 440 -2.126 0.719 -4.111 1.00 0.00 O ATOM 844 CB PRO A 440 -0.496 0.583 -1.892 1.00 0.00 C ATOM 845 CG PRO A 440 0.978 0.359 -1.994 1.00 0.00 C ATOM 846 CD PRO A 440 1.196 -0.786 -2.941 1.00 0.00 C ATOM 0 HA PRO A 440 -1.739 -1.219 -1.639 1.00 0.00 H new ATOM 0 HB2 PRO A 440 -0.798 1.446 -2.484 1.00 0.00 H new ATOM 0 HB3 PRO A 440 -0.787 0.786 -0.861 1.00 0.00 H new ATOM 0 HG2 PRO A 440 1.478 1.257 -2.357 1.00 0.00 H new ATOM 0 HG3 PRO A 440 1.400 0.132 -1.015 1.00 0.00 H new ATOM 0 HD2 PRO A 440 1.422 -0.434 -3.948 1.00 0.00 H new ATOM 0 HD3 PRO A 440 2.032 -1.411 -2.626 1.00 0.00 H new ATOM 854 N ARG A 441 -3.089 -1.277 -3.754 1.00 0.00 N ATOM 855 CA ARG A 441 -4.129 -1.086 -4.752 1.00 0.00 C ATOM 856 C ARG A 441 -5.406 -1.787 -4.312 1.00 0.00 C ATOM 857 O ARG A 441 -5.490 -3.016 -4.307 1.00 0.00 O ATOM 858 CB ARG A 441 -3.663 -1.601 -6.123 1.00 0.00 C ATOM 859 CG ARG A 441 -3.112 -3.020 -6.094 1.00 0.00 C ATOM 860 CD ARG A 441 -2.545 -3.437 -7.441 1.00 0.00 C ATOM 861 NE ARG A 441 -3.577 -3.571 -8.468 1.00 0.00 N ATOM 862 CZ ARG A 441 -3.483 -4.404 -9.507 1.00 0.00 C ATOM 863 NH1 ARG A 441 -2.400 -5.151 -9.664 1.00 0.00 N ATOM 864 NH2 ARG A 441 -4.474 -4.494 -10.387 1.00 0.00 N ATOM 0 H ARG A 441 -3.130 -2.176 -3.274 1.00 0.00 H new ATOM 0 HA ARG A 441 -4.335 -0.020 -4.848 1.00 0.00 H new ATOM 0 HB2 ARG A 441 -4.501 -1.561 -6.819 1.00 0.00 H new ATOM 0 HB3 ARG A 441 -2.895 -0.931 -6.510 1.00 0.00 H new ATOM 0 HG2 ARG A 441 -2.333 -3.091 -5.335 1.00 0.00 H new ATOM 0 HG3 ARG A 441 -3.904 -3.711 -5.804 1.00 0.00 H new ATOM 0 HD2 ARG A 441 -1.809 -2.701 -7.765 1.00 0.00 H new ATOM 0 HD3 ARG A 441 -2.020 -4.386 -7.332 1.00 0.00 H new ATOM 0 HE ARG A 441 -4.415 -2.996 -8.386 1.00 0.00 H new ATOM 0 HH11 ARG A 441 -1.636 -5.090 -8.990 1.00 0.00 H new ATOM 0 HH12 ARG A 441 -2.330 -5.787 -10.458 1.00 0.00 H new ATOM 0 HH21 ARG A 441 -5.312 -3.925 -10.271 1.00 0.00 H new ATOM 0 HH22 ARG A 441 -4.396 -5.132 -11.179 1.00 0.00 H new ATOM 878 N CYS A 442 -6.391 -1.004 -3.918 1.00 0.00 N ATOM 879 CA CYS A 442 -7.618 -1.555 -3.381 1.00 0.00 C ATOM 880 C CYS A 442 -8.683 -1.719 -4.458 1.00 0.00 C ATOM 881 O CYS A 442 -9.023 -0.777 -5.179 1.00 0.00 O ATOM 882 CB CYS A 442 -8.122 -0.686 -2.227 1.00 0.00 C ATOM 883 SG CYS A 442 -8.041 1.107 -2.540 1.00 0.00 S ATOM 0 H CYS A 442 -6.365 0.015 -3.960 1.00 0.00 H new ATOM 0 HA CYS A 442 -7.403 -2.552 -2.997 1.00 0.00 H new ATOM 0 HB2 CYS A 442 -9.155 -0.958 -2.009 1.00 0.00 H new ATOM 0 HB3 CYS A 442 -7.537 -0.913 -1.336 1.00 0.00 H new ATOM 888 N ILE A 443 -9.180 -2.937 -4.571 1.00 0.00 N ATOM 889 CA ILE A 443 -10.255 -3.266 -5.479 1.00 0.00 C ATOM 890 C ILE A 443 -11.560 -3.320 -4.716 1.00 0.00 C ATOM 891 O ILE A 443 -11.594 -3.719 -3.550 1.00 0.00 O ATOM 892 CB ILE A 443 -10.003 -4.622 -6.162 1.00 0.00 C ATOM 893 CG1 ILE A 443 -9.510 -5.659 -5.146 1.00 0.00 C ATOM 894 CG2 ILE A 443 -9.005 -4.467 -7.301 1.00 0.00 C ATOM 895 CD1 ILE A 443 -9.441 -7.067 -5.698 1.00 0.00 C ATOM 0 H ILE A 443 -8.843 -3.732 -4.028 1.00 0.00 H new ATOM 0 HA ILE A 443 -10.305 -2.496 -6.249 1.00 0.00 H new ATOM 0 HB ILE A 443 -10.946 -4.977 -6.577 1.00 0.00 H new ATOM 0 HG12 ILE A 443 -8.521 -5.368 -4.794 1.00 0.00 H new ATOM 0 HG13 ILE A 443 -10.172 -5.650 -4.280 1.00 0.00 H new ATOM 0 HG21 ILE A 443 -8.838 -5.435 -7.773 1.00 0.00 H new ATOM 0 HG22 ILE A 443 -9.400 -3.767 -8.038 1.00 0.00 H new ATOM 0 HG23 ILE A 443 -8.062 -4.087 -6.909 1.00 0.00 H new ATOM 0 HD11 ILE A 443 -9.084 -7.745 -4.923 1.00 0.00 H new ATOM 0 HD12 ILE A 443 -10.433 -7.379 -6.024 1.00 0.00 H new ATOM 0 HD13 ILE A 443 -8.756 -7.092 -6.545 1.00 0.00 H new ATOM 907 N ARG A 444 -12.623 -2.882 -5.360 1.00 0.00 N ATOM 908 CA ARG A 444 -13.927 -2.911 -4.771 1.00 0.00 C ATOM 909 C ARG A 444 -14.371 -4.353 -4.595 1.00 0.00 C ATOM 910 O ARG A 444 -14.446 -5.121 -5.555 1.00 0.00 O ATOM 911 CB ARG A 444 -14.887 -2.135 -5.658 1.00 0.00 C ATOM 912 CG ARG A 444 -16.157 -1.749 -4.952 1.00 0.00 C ATOM 913 CD ARG A 444 -17.158 -1.089 -5.888 1.00 0.00 C ATOM 914 NE ARG A 444 -17.906 -2.071 -6.664 1.00 0.00 N ATOM 915 CZ ARG A 444 -18.180 -1.955 -7.959 1.00 0.00 C ATOM 916 NH1 ARG A 444 -17.794 -0.882 -8.640 1.00 0.00 N ATOM 917 NH2 ARG A 444 -18.860 -2.910 -8.574 1.00 0.00 N ATOM 0 H ARG A 444 -12.597 -2.498 -6.305 1.00 0.00 H new ATOM 0 HA ARG A 444 -13.913 -2.443 -3.787 1.00 0.00 H new ATOM 0 HB2 ARG A 444 -14.391 -1.235 -6.020 1.00 0.00 H new ATOM 0 HB3 ARG A 444 -15.133 -2.737 -6.533 1.00 0.00 H new ATOM 0 HG2 ARG A 444 -16.608 -2.637 -4.508 1.00 0.00 H new ATOM 0 HG3 ARG A 444 -15.923 -1.067 -4.134 1.00 0.00 H new ATOM 0 HD2 ARG A 444 -17.851 -0.481 -5.307 1.00 0.00 H new ATOM 0 HD3 ARG A 444 -16.633 -0.415 -6.565 1.00 0.00 H new ATOM 0 HE ARG A 444 -18.242 -2.904 -6.180 1.00 0.00 H new ATOM 0 HH11 ARG A 444 -17.282 -0.136 -8.169 1.00 0.00 H new ATOM 0 HH12 ARG A 444 -18.010 -0.804 -9.634 1.00 0.00 H new ATOM 0 HH21 ARG A 444 -19.171 -3.730 -8.054 1.00 0.00 H new ATOM 0 HH22 ARG A 444 -19.073 -2.825 -9.568 1.00 0.00 H new ATOM 931 N VAL A 445 -14.657 -4.701 -3.353 1.00 0.00 N ATOM 932 CA VAL A 445 -14.900 -6.078 -2.962 1.00 0.00 C ATOM 933 C VAL A 445 -16.214 -6.604 -3.544 1.00 0.00 C ATOM 934 O VAL A 445 -16.443 -7.814 -3.609 1.00 0.00 O ATOM 935 CB VAL A 445 -14.905 -6.194 -1.421 1.00 0.00 C ATOM 936 CG1 VAL A 445 -16.152 -5.556 -0.822 1.00 0.00 C ATOM 937 CG2 VAL A 445 -14.765 -7.642 -0.981 1.00 0.00 C ATOM 0 H VAL A 445 -14.727 -4.034 -2.585 1.00 0.00 H new ATOM 0 HA VAL A 445 -14.095 -6.692 -3.365 1.00 0.00 H new ATOM 0 HB VAL A 445 -14.041 -5.646 -1.045 1.00 0.00 H new ATOM 0 HG11 VAL A 445 -16.125 -5.654 0.263 1.00 0.00 H new ATOM 0 HG12 VAL A 445 -16.185 -4.500 -1.090 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -17.039 -6.057 -1.210 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -14.772 -7.694 0.108 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -15.597 -8.225 -1.377 1.00 0.00 H new ATOM 0 HG23 VAL A 445 -13.826 -8.048 -1.358 1.00 0.00 H new ATOM 947 N LYS A 446 -17.070 -5.691 -3.975 1.00 0.00 N ATOM 948 CA LYS A 446 -18.336 -6.055 -4.582 1.00 0.00 C ATOM 949 C LYS A 446 -18.629 -5.131 -5.756 1.00 0.00 C ATOM 950 O LYS A 446 -18.244 -5.475 -6.894 1.00 0.00 O ATOM 951 CB LYS A 446 -19.459 -5.991 -3.547 1.00 0.00 C ATOM 952 CG LYS A 446 -20.800 -6.473 -4.072 1.00 0.00 C ATOM 953 CD LYS A 446 -21.850 -6.512 -2.975 1.00 0.00 C ATOM 954 CE LYS A 446 -21.464 -7.486 -1.873 1.00 0.00 C ATOM 955 NZ LYS A 446 -22.501 -7.563 -0.812 1.00 0.00 N ATOM 956 OXT LYS A 446 -19.210 -4.053 -5.535 1.00 0.00 O ATOM 0 H LYS A 446 -16.907 -4.686 -3.914 1.00 0.00 H new ATOM 0 HA LYS A 446 -18.274 -7.079 -4.951 1.00 0.00 H new ATOM 0 HB2 LYS A 446 -19.179 -6.593 -2.683 1.00 0.00 H new ATOM 0 HB3 LYS A 446 -19.563 -4.963 -3.199 1.00 0.00 H new ATOM 0 HG2 LYS A 446 -21.135 -5.815 -4.874 1.00 0.00 H new ATOM 0 HG3 LYS A 446 -20.686 -7.468 -4.503 1.00 0.00 H new ATOM 0 HD2 LYS A 446 -21.976 -5.515 -2.554 1.00 0.00 H new ATOM 0 HD3 LYS A 446 -22.811 -6.802 -3.399 1.00 0.00 H new ATOM 0 HE2 LYS A 446 -21.309 -8.476 -2.302 1.00 0.00 H new ATOM 0 HE3 LYS A 446 -20.516 -7.178 -1.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 446 -22.199 -8.238 -0.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 446 -22.631 -6.624 -0.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 446 -23.400 -7.882 -1.227 1.00 0.00 H new TER 970 LYS A 446