USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 469 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 53:sc= 0.00896 USER MOD Set 1.2: A 428 THR OG1 : rot 180:sc= 0.00922 USER MOD Set 2.1: A 396 ASN : amide:sc= -0.204 K(o=-0.51,f=-3.5) USER MOD Set 2.2: A 417 HIS : no HD1:sc= -0.306 X(o=-0.51,f=-0.97) USER MOD Single : A 388 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 398 TYR OH : rot 180:sc= 0 USER MOD Single : A 399 ASN : amide:sc= 1.55 K(o=1.5,f=-7!) USER MOD Single : A 400 GLN : amide:sc= 0.888 K(o=0.89,f=0) USER MOD Single : A 401 ASN : amide:sc= -2.62! C(o=-2.6!,f=-5.7!) USER MOD Single : A 402 HIS : no HE2:sc= -1.46 K(o=-1.5,f=-2.8!) USER MOD Single : A 405 LYS NZ :NH3+ -168:sc= -0.0737 (180deg=-0.36) USER MOD Single : A 408 GLN : amide:sc= -4.1! C(o=-4.1!,f=-2.8!) USER MOD Single : A 410 LYS NZ :NH3+ -170:sc= -0.0133 (180deg=-0.122) USER MOD Single : A 411 SER OG : rot 180:sc= -0.197 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= -0.119 X(o=-0.12,f=-0.31) USER MOD Single : A 430 THR OG1 : rot 75:sc= 0.891 USER MOD Single : A 432 MET CE :methyl -155:sc= -0.265 (180deg=-1.22) USER MOD Single : A 434 ASN : amide:sc= 0.228 K(o=0.23,f=-5.2!) USER MOD Single : A 437 SER OG : rot 160:sc= -3.35! USER MOD Single : A 439 THR OG1 : rot 180:sc= 0 USER MOD Single : A 446 LYS NZ :NH3+ 168:sc= -0.0262 (180deg=-0.177) USER MOD ----------------------------------------------------------------- ATOM 20 N ARG A 387 16.397 -0.523 -3.793 1.00 0.00 N ATOM 21 CA ARG A 387 15.118 -0.335 -4.454 1.00 0.00 C ATOM 22 C ARG A 387 14.137 0.310 -3.487 1.00 0.00 C ATOM 23 O ARG A 387 13.434 -0.381 -2.753 1.00 0.00 O ATOM 24 CB ARG A 387 14.560 -1.672 -4.945 1.00 0.00 C ATOM 25 CG ARG A 387 15.430 -2.367 -5.982 1.00 0.00 C ATOM 26 CD ARG A 387 15.216 -1.816 -7.387 1.00 0.00 C ATOM 27 NE ARG A 387 15.592 -0.407 -7.509 1.00 0.00 N ATOM 28 CZ ARG A 387 16.834 0.014 -7.747 1.00 0.00 C ATOM 29 NH1 ARG A 387 17.832 -0.861 -7.832 1.00 0.00 N ATOM 30 NH2 ARG A 387 17.077 1.312 -7.898 1.00 0.00 N ATOM 0 HA ARG A 387 15.262 0.315 -5.317 1.00 0.00 H new ATOM 0 HB2 ARG A 387 14.433 -2.336 -4.090 1.00 0.00 H new ATOM 0 HB3 ARG A 387 13.570 -1.506 -5.370 1.00 0.00 H new ATOM 0 HG2 ARG A 387 16.479 -2.254 -5.707 1.00 0.00 H new ATOM 0 HG3 ARG A 387 15.213 -3.435 -5.977 1.00 0.00 H new ATOM 0 HD2 ARG A 387 15.798 -2.405 -8.096 1.00 0.00 H new ATOM 0 HD3 ARG A 387 14.168 -1.932 -7.662 1.00 0.00 H new ATOM 0 HE ARG A 387 14.859 0.295 -7.406 1.00 0.00 H new ATOM 0 HH11 ARG A 387 17.648 -1.857 -7.715 1.00 0.00 H new ATOM 0 HH12 ARG A 387 18.781 -0.536 -8.014 1.00 0.00 H new ATOM 0 HH21 ARG A 387 16.313 1.985 -7.832 1.00 0.00 H new ATOM 0 HH22 ARG A 387 18.027 1.635 -8.080 1.00 0.00 H new ATOM 44 N LYS A 388 14.128 1.633 -3.462 1.00 0.00 N ATOM 45 CA LYS A 388 13.210 2.372 -2.607 1.00 0.00 C ATOM 46 C LYS A 388 11.798 2.324 -3.174 1.00 0.00 C ATOM 47 O LYS A 388 11.609 2.255 -4.391 1.00 0.00 O ATOM 48 CB LYS A 388 13.669 3.815 -2.465 1.00 0.00 C ATOM 49 CG LYS A 388 15.061 3.934 -1.883 1.00 0.00 C ATOM 50 CD LYS A 388 15.552 5.362 -1.932 1.00 0.00 C ATOM 51 CE LYS A 388 16.952 5.485 -1.361 1.00 0.00 C ATOM 52 NZ LYS A 388 17.544 6.820 -1.624 1.00 0.00 N ATOM 0 H LYS A 388 14.746 2.218 -4.024 1.00 0.00 H new ATOM 0 HA LYS A 388 13.205 1.906 -1.622 1.00 0.00 H new ATOM 0 HB2 LYS A 388 13.647 4.296 -3.443 1.00 0.00 H new ATOM 0 HB3 LYS A 388 12.967 4.354 -1.829 1.00 0.00 H new ATOM 0 HG2 LYS A 388 15.058 3.583 -0.851 1.00 0.00 H new ATOM 0 HG3 LYS A 388 15.746 3.292 -2.437 1.00 0.00 H new ATOM 0 HD2 LYS A 388 15.545 5.716 -2.963 1.00 0.00 H new ATOM 0 HD3 LYS A 388 14.871 6.002 -1.371 1.00 0.00 H new ATOM 0 HE2 LYS A 388 16.922 5.307 -0.286 1.00 0.00 H new ATOM 0 HE3 LYS A 388 17.589 4.714 -1.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 18.500 6.862 -1.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 17.597 6.980 -2.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 16.950 7.555 -1.189 1.00 0.00 H new ATOM 66 N CYS A 389 10.814 2.372 -2.294 1.00 0.00 N ATOM 67 CA CYS A 389 9.424 2.238 -2.695 1.00 0.00 C ATOM 68 C CYS A 389 8.624 3.493 -2.377 1.00 0.00 C ATOM 69 O CYS A 389 8.456 3.863 -1.215 1.00 0.00 O ATOM 70 CB CYS A 389 8.798 1.022 -2.012 1.00 0.00 C ATOM 71 SG CYS A 389 9.475 -0.572 -2.581 1.00 0.00 S ATOM 0 H CYS A 389 10.952 2.503 -1.292 1.00 0.00 H new ATOM 0 HA CYS A 389 9.399 2.097 -3.776 1.00 0.00 H new ATOM 0 HB2 CYS A 389 8.946 1.105 -0.935 1.00 0.00 H new ATOM 0 HB3 CYS A 389 7.722 1.032 -2.187 1.00 0.00 H new ATOM 76 N TYR A 390 8.152 4.152 -3.421 1.00 0.00 N ATOM 77 CA TYR A 390 7.287 5.313 -3.280 1.00 0.00 C ATOM 78 C TYR A 390 5.839 4.874 -3.088 1.00 0.00 C ATOM 79 O TYR A 390 5.328 4.049 -3.848 1.00 0.00 O ATOM 80 CB TYR A 390 7.416 6.205 -4.519 1.00 0.00 C ATOM 81 CG TYR A 390 6.364 7.285 -4.632 1.00 0.00 C ATOM 82 CD1 TYR A 390 6.382 8.398 -3.801 1.00 0.00 C ATOM 83 CD2 TYR A 390 5.351 7.191 -5.578 1.00 0.00 C ATOM 84 CE1 TYR A 390 5.419 9.383 -3.912 1.00 0.00 C ATOM 85 CE2 TYR A 390 4.390 8.174 -5.694 1.00 0.00 C ATOM 86 CZ TYR A 390 4.427 9.267 -4.861 1.00 0.00 C ATOM 87 OH TYR A 390 3.472 10.254 -4.982 1.00 0.00 O ATOM 0 H TYR A 390 8.356 3.899 -4.388 1.00 0.00 H new ATOM 0 HA TYR A 390 7.592 5.881 -2.401 1.00 0.00 H new ATOM 0 HB2 TYR A 390 8.400 6.674 -4.511 1.00 0.00 H new ATOM 0 HB3 TYR A 390 7.370 5.577 -5.409 1.00 0.00 H new ATOM 0 HD1 TYR A 390 7.160 8.495 -3.058 1.00 0.00 H new ATOM 0 HD2 TYR A 390 5.315 6.334 -6.234 1.00 0.00 H new ATOM 0 HE1 TYR A 390 5.444 10.241 -3.257 1.00 0.00 H new ATOM 0 HE2 TYR A 390 3.611 8.085 -6.437 1.00 0.00 H new ATOM 0 HH TYR A 390 2.847 10.018 -5.699 1.00 0.00 H new ATOM 97 N PHE A 391 5.195 5.404 -2.058 1.00 0.00 N ATOM 98 CA PHE A 391 3.796 5.098 -1.798 1.00 0.00 C ATOM 99 C PHE A 391 2.905 5.862 -2.780 1.00 0.00 C ATOM 100 O PHE A 391 2.867 7.100 -2.767 1.00 0.00 O ATOM 101 CB PHE A 391 3.429 5.460 -0.355 1.00 0.00 C ATOM 102 CG PHE A 391 2.122 4.872 0.107 1.00 0.00 C ATOM 103 CD1 PHE A 391 0.931 5.558 -0.071 1.00 0.00 C ATOM 104 CD2 PHE A 391 2.086 3.631 0.724 1.00 0.00 C ATOM 105 CE1 PHE A 391 -0.268 5.020 0.356 1.00 0.00 C ATOM 106 CE2 PHE A 391 0.890 3.088 1.154 1.00 0.00 C ATOM 107 CZ PHE A 391 -0.288 3.783 0.969 1.00 0.00 C ATOM 0 H PHE A 391 5.619 6.047 -1.389 1.00 0.00 H new ATOM 0 HA PHE A 391 3.638 4.028 -1.935 1.00 0.00 H new ATOM 0 HB2 PHE A 391 4.224 5.120 0.308 1.00 0.00 H new ATOM 0 HB3 PHE A 391 3.381 6.545 -0.264 1.00 0.00 H new ATOM 0 HD1 PHE A 391 0.940 6.526 -0.550 1.00 0.00 H new ATOM 0 HD2 PHE A 391 3.004 3.082 0.870 1.00 0.00 H new ATOM 0 HE1 PHE A 391 -1.188 5.566 0.210 1.00 0.00 H new ATOM 0 HE2 PHE A 391 0.877 2.121 1.634 1.00 0.00 H new ATOM 0 HZ PHE A 391 -1.224 3.360 1.303 1.00 0.00 H new ATOM 117 N PRO A 392 2.183 5.126 -3.639 1.00 0.00 N ATOM 118 CA PRO A 392 1.346 5.706 -4.694 1.00 0.00 C ATOM 119 C PRO A 392 0.050 6.300 -4.164 1.00 0.00 C ATOM 120 O PRO A 392 -0.135 6.465 -2.958 1.00 0.00 O ATOM 121 CB PRO A 392 1.044 4.506 -5.591 1.00 0.00 C ATOM 122 CG PRO A 392 1.071 3.338 -4.671 1.00 0.00 C ATOM 123 CD PRO A 392 2.118 3.651 -3.637 1.00 0.00 C ATOM 0 HA PRO A 392 1.847 6.533 -5.197 1.00 0.00 H new ATOM 0 HB2 PRO A 392 0.073 4.607 -6.076 1.00 0.00 H new ATOM 0 HB3 PRO A 392 1.787 4.405 -6.383 1.00 0.00 H new ATOM 0 HG2 PRO A 392 0.097 3.184 -4.206 1.00 0.00 H new ATOM 0 HG3 PRO A 392 1.315 2.422 -5.209 1.00 0.00 H new ATOM 0 HD2 PRO A 392 1.841 3.264 -2.657 1.00 0.00 H new ATOM 0 HD3 PRO A 392 3.080 3.208 -3.894 1.00 0.00 H new ATOM 131 N TYR A 393 -0.839 6.628 -5.085 1.00 0.00 N ATOM 132 CA TYR A 393 -2.117 7.208 -4.738 1.00 0.00 C ATOM 133 C TYR A 393 -3.259 6.283 -5.135 1.00 0.00 C ATOM 134 O TYR A 393 -3.485 6.029 -6.318 1.00 0.00 O ATOM 135 CB TYR A 393 -2.285 8.569 -5.417 1.00 0.00 C ATOM 136 CG TYR A 393 -3.650 9.189 -5.199 1.00 0.00 C ATOM 137 CD1 TYR A 393 -3.962 9.808 -3.997 1.00 0.00 C ATOM 138 CD2 TYR A 393 -4.633 9.137 -6.183 1.00 0.00 C ATOM 139 CE1 TYR A 393 -5.210 10.361 -3.780 1.00 0.00 C ATOM 140 CE2 TYR A 393 -5.884 9.685 -5.972 1.00 0.00 C ATOM 141 CZ TYR A 393 -6.167 10.294 -4.769 1.00 0.00 C ATOM 142 OH TYR A 393 -7.417 10.837 -4.550 1.00 0.00 O ATOM 0 H TYR A 393 -0.694 6.500 -6.086 1.00 0.00 H new ATOM 0 HA TYR A 393 -2.144 7.345 -3.657 1.00 0.00 H new ATOM 0 HB2 TYR A 393 -1.521 9.250 -5.042 1.00 0.00 H new ATOM 0 HB3 TYR A 393 -2.113 8.456 -6.487 1.00 0.00 H new ATOM 0 HD1 TYR A 393 -3.217 9.859 -3.217 1.00 0.00 H new ATOM 0 HD2 TYR A 393 -4.414 8.660 -7.127 1.00 0.00 H new ATOM 0 HE1 TYR A 393 -5.434 10.843 -2.840 1.00 0.00 H new ATOM 0 HE2 TYR A 393 -6.636 9.636 -6.746 1.00 0.00 H new ATOM 0 HH TYR A 393 -7.974 10.707 -5.346 1.00 0.00 H new ATOM 152 N LEU A 394 -3.962 5.778 -4.137 1.00 0.00 N ATOM 153 CA LEU A 394 -5.167 5.004 -4.360 1.00 0.00 C ATOM 154 C LEU A 394 -6.346 5.961 -4.474 1.00 0.00 C ATOM 155 O LEU A 394 -6.498 6.870 -3.655 1.00 0.00 O ATOM 156 CB LEU A 394 -5.395 4.002 -3.219 1.00 0.00 C ATOM 157 CG LEU A 394 -4.385 2.846 -3.125 1.00 0.00 C ATOM 158 CD1 LEU A 394 -3.000 3.337 -2.731 1.00 0.00 C ATOM 159 CD2 LEU A 394 -4.866 1.806 -2.132 1.00 0.00 C ATOM 0 H LEU A 394 -3.714 5.893 -3.154 1.00 0.00 H new ATOM 0 HA LEU A 394 -5.065 4.432 -5.282 1.00 0.00 H new ATOM 0 HB2 LEU A 394 -5.382 4.547 -2.275 1.00 0.00 H new ATOM 0 HB3 LEU A 394 -6.393 3.578 -3.328 1.00 0.00 H new ATOM 0 HG LEU A 394 -4.311 2.395 -4.115 1.00 0.00 H new ATOM 0 HD11 LEU A 394 -2.316 2.490 -2.675 1.00 0.00 H new ATOM 0 HD12 LEU A 394 -2.640 4.046 -3.476 1.00 0.00 H new ATOM 0 HD13 LEU A 394 -3.051 3.827 -1.759 1.00 0.00 H new ATOM 0 HD21 LEU A 394 -4.141 0.994 -2.076 1.00 0.00 H new ATOM 0 HD22 LEU A 394 -4.974 2.264 -1.149 1.00 0.00 H new ATOM 0 HD23 LEU A 394 -5.829 1.411 -2.456 1.00 0.00 H new ATOM 171 N GLU A 395 -7.165 5.749 -5.498 1.00 0.00 N ATOM 172 CA GLU A 395 -8.258 6.660 -5.835 1.00 0.00 C ATOM 173 C GLU A 395 -9.278 6.771 -4.709 1.00 0.00 C ATOM 174 O GLU A 395 -9.616 7.868 -4.273 1.00 0.00 O ATOM 175 CB GLU A 395 -8.974 6.189 -7.099 1.00 0.00 C ATOM 176 CG GLU A 395 -8.067 6.042 -8.308 1.00 0.00 C ATOM 177 CD GLU A 395 -8.813 5.522 -9.521 1.00 0.00 C ATOM 178 OE1 GLU A 395 -9.083 4.303 -9.580 1.00 0.00 O ATOM 179 OE2 GLU A 395 -9.147 6.329 -10.412 1.00 0.00 O ATOM 0 H GLU A 395 -7.092 4.943 -6.118 1.00 0.00 H new ATOM 0 HA GLU A 395 -7.811 7.641 -5.997 1.00 0.00 H new ATOM 0 HB2 GLU A 395 -9.451 5.230 -6.897 1.00 0.00 H new ATOM 0 HB3 GLU A 395 -9.769 6.896 -7.338 1.00 0.00 H new ATOM 0 HG2 GLU A 395 -7.620 7.007 -8.545 1.00 0.00 H new ATOM 0 HG3 GLU A 395 -7.250 5.362 -8.067 1.00 0.00 H new ATOM 186 N ASN A 396 -9.771 5.631 -4.253 1.00 0.00 N ATOM 187 CA ASN A 396 -10.849 5.606 -3.275 1.00 0.00 C ATOM 188 C ASN A 396 -10.402 4.956 -1.977 1.00 0.00 C ATOM 189 O ASN A 396 -11.200 4.347 -1.266 1.00 0.00 O ATOM 190 CB ASN A 396 -12.061 4.867 -3.847 1.00 0.00 C ATOM 191 CG ASN A 396 -13.222 5.802 -4.114 1.00 0.00 C ATOM 192 OD1 ASN A 396 -13.436 6.769 -3.386 1.00 0.00 O ATOM 193 ND2 ASN A 396 -13.976 5.530 -5.165 1.00 0.00 N ATOM 0 H ASN A 396 -9.443 4.710 -4.544 1.00 0.00 H new ATOM 0 HA ASN A 396 -11.129 6.636 -3.055 1.00 0.00 H new ATOM 0 HB2 ASN A 396 -11.777 4.368 -4.774 1.00 0.00 H new ATOM 0 HB3 ASN A 396 -12.374 4.090 -3.149 1.00 0.00 H new ATOM 0 HD21 ASN A 396 -14.767 6.132 -5.395 1.00 0.00 H new ATOM 0 HD22 ASN A 396 -13.767 4.718 -5.746 1.00 0.00 H new ATOM 200 N GLY A 397 -9.128 5.099 -1.660 1.00 0.00 N ATOM 201 CA GLY A 397 -8.611 4.523 -0.439 1.00 0.00 C ATOM 202 C GLY A 397 -8.070 5.576 0.497 1.00 0.00 C ATOM 203 O GLY A 397 -8.056 6.759 0.162 1.00 0.00 O ATOM 0 H GLY A 397 -8.443 5.602 -2.224 1.00 0.00 H new ATOM 0 HA2 GLY A 397 -9.402 3.964 0.062 1.00 0.00 H new ATOM 0 HA3 GLY A 397 -7.821 3.811 -0.680 1.00 0.00 H new ATOM 207 N TYR A 398 -7.626 5.158 1.669 1.00 0.00 N ATOM 208 CA TYR A 398 -7.059 6.078 2.638 1.00 0.00 C ATOM 209 C TYR A 398 -5.542 6.041 2.555 1.00 0.00 C ATOM 210 O TYR A 398 -4.896 5.225 3.220 1.00 0.00 O ATOM 211 CB TYR A 398 -7.514 5.734 4.060 1.00 0.00 C ATOM 212 CG TYR A 398 -9.000 5.891 4.288 1.00 0.00 C ATOM 213 CD1 TYR A 398 -9.585 7.150 4.343 1.00 0.00 C ATOM 214 CD2 TYR A 398 -9.815 4.781 4.453 1.00 0.00 C ATOM 215 CE1 TYR A 398 -10.944 7.297 4.557 1.00 0.00 C ATOM 216 CE2 TYR A 398 -11.172 4.919 4.668 1.00 0.00 C ATOM 217 CZ TYR A 398 -11.732 6.177 4.719 1.00 0.00 C ATOM 218 OH TYR A 398 -13.085 6.311 4.932 1.00 0.00 O ATOM 0 H TYR A 398 -7.647 4.185 1.973 1.00 0.00 H new ATOM 0 HA TYR A 398 -7.412 7.082 2.404 1.00 0.00 H new ATOM 0 HB2 TYR A 398 -7.230 4.705 4.282 1.00 0.00 H new ATOM 0 HB3 TYR A 398 -6.980 6.371 4.765 1.00 0.00 H new ATOM 0 HD1 TYR A 398 -8.969 8.028 4.217 1.00 0.00 H new ATOM 0 HD2 TYR A 398 -9.381 3.793 4.413 1.00 0.00 H new ATOM 0 HE1 TYR A 398 -11.385 8.282 4.597 1.00 0.00 H new ATOM 0 HE2 TYR A 398 -11.792 4.044 4.796 1.00 0.00 H new ATOM 0 HH TYR A 398 -13.491 5.424 5.024 1.00 0.00 H new ATOM 228 N ASN A 399 -4.978 6.908 1.725 1.00 0.00 N ATOM 229 CA ASN A 399 -3.530 6.989 1.575 1.00 0.00 C ATOM 230 C ASN A 399 -2.925 7.685 2.777 1.00 0.00 C ATOM 231 O ASN A 399 -2.565 8.860 2.710 1.00 0.00 O ATOM 232 CB ASN A 399 -3.131 7.757 0.314 1.00 0.00 C ATOM 233 CG ASN A 399 -3.807 7.240 -0.940 1.00 0.00 C ATOM 234 OD1 ASN A 399 -3.295 6.347 -1.601 1.00 0.00 O ATOM 235 ND2 ASN A 399 -4.950 7.811 -1.289 1.00 0.00 N ATOM 0 H ASN A 399 -5.500 7.565 1.145 1.00 0.00 H new ATOM 0 HA ASN A 399 -3.155 5.969 1.494 1.00 0.00 H new ATOM 0 HB2 ASN A 399 -3.379 8.810 0.444 1.00 0.00 H new ATOM 0 HB3 ASN A 399 -2.050 7.697 0.187 1.00 0.00 H new ATOM 0 HD21 ASN A 399 -5.434 7.509 -2.135 1.00 0.00 H new ATOM 0 HD22 ASN A 399 -5.346 8.553 -0.712 1.00 0.00 H new ATOM 242 N GLN A 400 -2.832 6.952 3.874 1.00 0.00 N ATOM 243 CA GLN A 400 -2.268 7.472 5.107 1.00 0.00 C ATOM 244 C GLN A 400 -0.905 8.099 4.844 1.00 0.00 C ATOM 245 O GLN A 400 -0.636 9.231 5.243 1.00 0.00 O ATOM 246 CB GLN A 400 -2.133 6.343 6.133 1.00 0.00 C ATOM 247 CG GLN A 400 -3.420 5.568 6.376 1.00 0.00 C ATOM 248 CD GLN A 400 -3.246 4.452 7.388 1.00 0.00 C ATOM 249 OE1 GLN A 400 -3.442 4.648 8.586 1.00 0.00 O ATOM 250 NE2 GLN A 400 -2.858 3.277 6.918 1.00 0.00 N ATOM 0 H GLN A 400 -3.144 5.983 3.934 1.00 0.00 H new ATOM 0 HA GLN A 400 -2.935 8.239 5.502 1.00 0.00 H new ATOM 0 HB2 GLN A 400 -1.362 5.650 5.796 1.00 0.00 H new ATOM 0 HB3 GLN A 400 -1.791 6.764 7.078 1.00 0.00 H new ATOM 0 HG2 GLN A 400 -4.192 6.253 6.726 1.00 0.00 H new ATOM 0 HG3 GLN A 400 -3.770 5.147 5.433 1.00 0.00 H new ATOM 0 HE21 GLN A 400 -2.706 3.153 5.917 1.00 0.00 H new ATOM 0 HE22 GLN A 400 -2.711 2.495 7.557 1.00 0.00 H new ATOM 259 N ASN A 401 -0.060 7.365 4.140 1.00 0.00 N ATOM 260 CA ASN A 401 1.291 7.808 3.862 1.00 0.00 C ATOM 261 C ASN A 401 1.475 8.159 2.384 1.00 0.00 C ATOM 262 O ASN A 401 2.512 7.850 1.797 1.00 0.00 O ATOM 263 CB ASN A 401 2.266 6.702 4.266 1.00 0.00 C ATOM 264 CG ASN A 401 2.262 6.425 5.763 1.00 0.00 C ATOM 265 OD1 ASN A 401 1.273 6.633 6.462 1.00 0.00 O ATOM 266 ND2 ASN A 401 3.373 5.930 6.256 1.00 0.00 N ATOM 0 H ASN A 401 -0.291 6.452 3.749 1.00 0.00 H new ATOM 0 HA ASN A 401 1.488 8.712 4.438 1.00 0.00 H new ATOM 0 HB2 ASN A 401 2.011 5.787 3.732 1.00 0.00 H new ATOM 0 HB3 ASN A 401 3.273 6.982 3.956 1.00 0.00 H new ATOM 0 HD21 ASN A 401 3.435 5.705 7.249 1.00 0.00 H new ATOM 0 HD22 ASN A 401 4.175 5.770 5.646 1.00 0.00 H new ATOM 273 N HIS A 402 0.461 8.785 1.774 1.00 0.00 N ATOM 274 CA HIS A 402 0.554 9.226 0.380 1.00 0.00 C ATOM 275 C HIS A 402 1.765 10.125 0.146 1.00 0.00 C ATOM 276 O HIS A 402 2.008 11.070 0.900 1.00 0.00 O ATOM 277 CB HIS A 402 -0.715 9.982 -0.027 1.00 0.00 C ATOM 278 CG HIS A 402 -0.689 10.496 -1.435 1.00 0.00 C ATOM 279 ND1 HIS A 402 -0.919 11.814 -1.762 1.00 0.00 N ATOM 280 CD2 HIS A 402 -0.456 9.856 -2.605 1.00 0.00 C ATOM 281 CE1 HIS A 402 -0.825 11.962 -3.069 1.00 0.00 C ATOM 282 NE2 HIS A 402 -0.546 10.790 -3.605 1.00 0.00 N ATOM 0 H HIS A 402 -0.430 8.996 2.224 1.00 0.00 H new ATOM 0 HA HIS A 402 0.667 8.330 -0.231 1.00 0.00 H new ATOM 0 HB2 HIS A 402 -1.574 9.322 0.093 1.00 0.00 H new ATOM 0 HB3 HIS A 402 -0.861 10.821 0.653 1.00 0.00 H new ATOM 0 HD1 HIS A 402 -1.129 12.559 -1.097 1.00 0.00 H new ATOM 0 HD2 HIS A 402 -0.239 8.805 -2.728 1.00 0.00 H new ATOM 0 HE1 HIS A 402 -0.955 12.888 -3.610 1.00 0.00 H new ATOM 291 N GLY A 403 2.515 9.822 -0.908 1.00 0.00 N ATOM 292 CA GLY A 403 3.592 10.692 -1.335 1.00 0.00 C ATOM 293 C GLY A 403 4.832 10.551 -0.484 1.00 0.00 C ATOM 294 O GLY A 403 5.618 11.493 -0.353 1.00 0.00 O ATOM 0 H GLY A 403 2.394 8.984 -1.476 1.00 0.00 H new ATOM 0 HA2 GLY A 403 3.842 10.470 -2.373 1.00 0.00 H new ATOM 0 HA3 GLY A 403 3.251 11.727 -1.303 1.00 0.00 H new ATOM 298 N ARG A 404 5.015 9.375 0.091 1.00 0.00 N ATOM 299 CA ARG A 404 6.150 9.125 0.961 1.00 0.00 C ATOM 300 C ARG A 404 6.977 7.959 0.442 1.00 0.00 C ATOM 301 O ARG A 404 6.433 6.973 -0.062 1.00 0.00 O ATOM 302 CB ARG A 404 5.653 8.869 2.385 1.00 0.00 C ATOM 303 CG ARG A 404 4.932 10.072 2.970 1.00 0.00 C ATOM 304 CD ARG A 404 4.271 9.767 4.303 1.00 0.00 C ATOM 305 NE ARG A 404 3.479 10.905 4.770 1.00 0.00 N ATOM 306 CZ ARG A 404 2.557 10.836 5.730 1.00 0.00 C ATOM 307 NH1 ARG A 404 2.385 9.714 6.414 1.00 0.00 N ATOM 308 NH2 ARG A 404 1.832 11.904 6.034 1.00 0.00 N ATOM 0 H ARG A 404 4.391 8.577 -0.029 1.00 0.00 H new ATOM 0 HA ARG A 404 6.798 10.002 0.972 1.00 0.00 H new ATOM 0 HB2 ARG A 404 4.981 8.011 2.384 1.00 0.00 H new ATOM 0 HB3 ARG A 404 6.499 8.611 3.022 1.00 0.00 H new ATOM 0 HG2 ARG A 404 5.642 10.889 3.100 1.00 0.00 H new ATOM 0 HG3 ARG A 404 4.176 10.416 2.264 1.00 0.00 H new ATOM 0 HD2 ARG A 404 3.631 8.891 4.203 1.00 0.00 H new ATOM 0 HD3 ARG A 404 5.033 9.522 5.043 1.00 0.00 H new ATOM 0 HE ARG A 404 3.643 11.811 4.332 1.00 0.00 H new ATOM 0 HH11 ARG A 404 2.960 8.897 6.207 1.00 0.00 H new ATOM 0 HH12 ARG A 404 1.678 9.667 7.148 1.00 0.00 H new ATOM 0 HH21 ARG A 404 1.980 12.780 5.533 1.00 0.00 H new ATOM 0 HH22 ARG A 404 1.127 11.849 6.769 1.00 0.00 H new ATOM 322 N LYS A 405 8.293 8.089 0.537 1.00 0.00 N ATOM 323 CA LYS A 405 9.204 7.062 0.064 1.00 0.00 C ATOM 324 C LYS A 405 9.664 6.187 1.223 1.00 0.00 C ATOM 325 O LYS A 405 10.077 6.691 2.268 1.00 0.00 O ATOM 326 CB LYS A 405 10.423 7.690 -0.615 1.00 0.00 C ATOM 327 CG LYS A 405 10.101 8.503 -1.861 1.00 0.00 C ATOM 328 CD LYS A 405 11.373 8.974 -2.547 1.00 0.00 C ATOM 329 CE LYS A 405 11.073 9.822 -3.774 1.00 0.00 C ATOM 330 NZ LYS A 405 10.170 9.120 -4.724 1.00 0.00 N ATOM 0 H LYS A 405 8.754 8.904 0.941 1.00 0.00 H new ATOM 0 HA LYS A 405 8.672 6.448 -0.662 1.00 0.00 H new ATOM 0 HB2 LYS A 405 10.931 8.334 0.103 1.00 0.00 H new ATOM 0 HB3 LYS A 405 11.122 6.898 -0.884 1.00 0.00 H new ATOM 0 HG2 LYS A 405 9.513 7.899 -2.552 1.00 0.00 H new ATOM 0 HG3 LYS A 405 9.489 9.364 -1.590 1.00 0.00 H new ATOM 0 HD2 LYS A 405 11.973 9.552 -1.844 1.00 0.00 H new ATOM 0 HD3 LYS A 405 11.969 8.110 -2.839 1.00 0.00 H new ATOM 0 HE2 LYS A 405 10.615 10.761 -3.463 1.00 0.00 H new ATOM 0 HE3 LYS A 405 12.006 10.074 -4.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 405 10.151 9.633 -5.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 405 10.517 8.153 -4.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 405 9.210 9.082 -4.327 1.00 0.00 H new ATOM 344 N PHE A 406 9.582 4.883 1.040 1.00 0.00 N ATOM 345 CA PHE A 406 10.004 3.941 2.060 1.00 0.00 C ATOM 346 C PHE A 406 11.156 3.087 1.556 1.00 0.00 C ATOM 347 O PHE A 406 11.158 2.639 0.409 1.00 0.00 O ATOM 348 CB PHE A 406 8.837 3.046 2.477 1.00 0.00 C ATOM 349 CG PHE A 406 7.715 3.798 3.131 1.00 0.00 C ATOM 350 CD1 PHE A 406 6.702 4.357 2.370 1.00 0.00 C ATOM 351 CD2 PHE A 406 7.677 3.948 4.507 1.00 0.00 C ATOM 352 CE1 PHE A 406 5.673 5.051 2.969 1.00 0.00 C ATOM 353 CE2 PHE A 406 6.649 4.642 5.111 1.00 0.00 C ATOM 354 CZ PHE A 406 5.647 5.193 4.340 1.00 0.00 C ATOM 0 H PHE A 406 9.225 4.449 0.189 1.00 0.00 H new ATOM 0 HA PHE A 406 10.341 4.508 2.927 1.00 0.00 H new ATOM 0 HB2 PHE A 406 8.454 2.528 1.598 1.00 0.00 H new ATOM 0 HB3 PHE A 406 9.202 2.282 3.164 1.00 0.00 H new ATOM 0 HD1 PHE A 406 6.719 4.248 1.296 1.00 0.00 H new ATOM 0 HD2 PHE A 406 8.460 3.517 5.114 1.00 0.00 H new ATOM 0 HE1 PHE A 406 4.888 5.483 2.365 1.00 0.00 H new ATOM 0 HE2 PHE A 406 6.629 4.754 6.185 1.00 0.00 H new ATOM 0 HZ PHE A 406 4.841 5.736 4.811 1.00 0.00 H new ATOM 364 N VAL A 407 12.138 2.877 2.418 1.00 0.00 N ATOM 365 CA VAL A 407 13.283 2.048 2.083 1.00 0.00 C ATOM 366 C VAL A 407 12.892 0.573 2.131 1.00 0.00 C ATOM 367 O VAL A 407 12.046 0.168 2.937 1.00 0.00 O ATOM 368 CB VAL A 407 14.471 2.324 3.040 1.00 0.00 C ATOM 369 CG1 VAL A 407 14.131 1.942 4.474 1.00 0.00 C ATOM 370 CG2 VAL A 407 15.727 1.606 2.572 1.00 0.00 C ATOM 0 H VAL A 407 12.164 3.271 3.358 1.00 0.00 H new ATOM 0 HA VAL A 407 13.603 2.298 1.071 1.00 0.00 H new ATOM 0 HB VAL A 407 14.666 3.396 3.020 1.00 0.00 H new ATOM 0 HG11 VAL A 407 14.986 2.148 5.118 1.00 0.00 H new ATOM 0 HG12 VAL A 407 13.273 2.524 4.812 1.00 0.00 H new ATOM 0 HG13 VAL A 407 13.890 0.880 4.520 1.00 0.00 H new ATOM 0 HG21 VAL A 407 16.545 1.817 3.261 1.00 0.00 H new ATOM 0 HG22 VAL A 407 15.543 0.532 2.545 1.00 0.00 H new ATOM 0 HG23 VAL A 407 15.995 1.954 1.574 1.00 0.00 H new ATOM 380 N GLN A 408 13.479 -0.201 1.226 1.00 0.00 N ATOM 381 CA GLN A 408 13.250 -1.638 1.143 1.00 0.00 C ATOM 382 C GLN A 408 13.416 -2.294 2.510 1.00 0.00 C ATOM 383 O GLN A 408 14.491 -2.237 3.114 1.00 0.00 O ATOM 384 CB GLN A 408 14.233 -2.244 0.144 1.00 0.00 C ATOM 385 CG GLN A 408 13.996 -3.709 -0.175 1.00 0.00 C ATOM 386 CD GLN A 408 15.106 -4.281 -1.035 1.00 0.00 C ATOM 387 OE1 GLN A 408 16.078 -4.833 -0.525 1.00 0.00 O ATOM 388 NE2 GLN A 408 14.996 -4.113 -2.342 1.00 0.00 N ATOM 0 H GLN A 408 14.131 0.153 0.526 1.00 0.00 H new ATOM 0 HA GLN A 408 12.228 -1.817 0.807 1.00 0.00 H new ATOM 0 HB2 GLN A 408 14.185 -1.673 -0.783 1.00 0.00 H new ATOM 0 HB3 GLN A 408 15.244 -2.131 0.536 1.00 0.00 H new ATOM 0 HG2 GLN A 408 13.925 -4.277 0.753 1.00 0.00 H new ATOM 0 HG3 GLN A 408 13.042 -3.820 -0.691 1.00 0.00 H new ATOM 0 HE21 GLN A 408 14.174 -3.650 -2.729 1.00 0.00 H new ATOM 0 HE22 GLN A 408 15.733 -4.447 -2.963 1.00 0.00 H new ATOM 397 N GLY A 409 12.347 -2.906 2.992 1.00 0.00 N ATOM 398 CA GLY A 409 12.372 -3.523 4.301 1.00 0.00 C ATOM 399 C GLY A 409 11.329 -2.949 5.242 1.00 0.00 C ATOM 400 O GLY A 409 11.070 -3.515 6.303 1.00 0.00 O ATOM 0 H GLY A 409 11.458 -2.987 2.498 1.00 0.00 H new ATOM 0 HA2 GLY A 409 12.208 -4.595 4.195 1.00 0.00 H new ATOM 0 HA3 GLY A 409 13.361 -3.393 4.740 1.00 0.00 H new ATOM 404 N LYS A 410 10.735 -1.819 4.872 1.00 0.00 N ATOM 405 CA LYS A 410 9.719 -1.200 5.702 1.00 0.00 C ATOM 406 C LYS A 410 8.325 -1.571 5.220 1.00 0.00 C ATOM 407 O LYS A 410 8.148 -1.982 4.069 1.00 0.00 O ATOM 408 CB LYS A 410 9.892 0.315 5.715 1.00 0.00 C ATOM 409 CG LYS A 410 11.128 0.772 6.468 1.00 0.00 C ATOM 410 CD LYS A 410 11.055 2.247 6.809 1.00 0.00 C ATOM 411 CE LYS A 410 12.313 2.722 7.526 1.00 0.00 C ATOM 412 NZ LYS A 410 12.537 2.009 8.814 1.00 0.00 N ATOM 0 H LYS A 410 10.941 -1.319 4.007 1.00 0.00 H new ATOM 0 HA LYS A 410 9.838 -1.573 6.719 1.00 0.00 H new ATOM 0 HB2 LYS A 410 9.947 0.676 4.688 1.00 0.00 H new ATOM 0 HB3 LYS A 410 9.011 0.770 6.167 1.00 0.00 H new ATOM 0 HG2 LYS A 410 11.234 0.190 7.384 1.00 0.00 H new ATOM 0 HG3 LYS A 410 12.015 0.580 5.864 1.00 0.00 H new ATOM 0 HD2 LYS A 410 10.916 2.825 5.896 1.00 0.00 H new ATOM 0 HD3 LYS A 410 10.185 2.432 7.439 1.00 0.00 H new ATOM 0 HE2 LYS A 410 13.176 2.573 6.877 1.00 0.00 H new ATOM 0 HE3 LYS A 410 12.237 3.793 7.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 410 13.300 2.478 9.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 410 11.663 2.028 9.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 410 12.804 1.022 8.623 1.00 0.00 H new ATOM 426 N SER A 411 7.347 -1.408 6.096 1.00 0.00 N ATOM 427 CA SER A 411 5.981 -1.834 5.821 1.00 0.00 C ATOM 428 C SER A 411 4.982 -0.739 6.187 1.00 0.00 C ATOM 429 O SER A 411 5.330 0.241 6.851 1.00 0.00 O ATOM 430 CB SER A 411 5.678 -3.117 6.602 1.00 0.00 C ATOM 431 OG SER A 411 4.358 -3.588 6.376 1.00 0.00 O ATOM 0 H SER A 411 7.474 -0.980 7.013 1.00 0.00 H new ATOM 0 HA SER A 411 5.884 -2.030 4.753 1.00 0.00 H new ATOM 0 HB2 SER A 411 6.391 -3.890 6.316 1.00 0.00 H new ATOM 0 HB3 SER A 411 5.818 -2.933 7.667 1.00 0.00 H new ATOM 0 HG SER A 411 4.210 -4.408 6.892 1.00 0.00 H new ATOM 437 N ILE A 412 3.740 -0.926 5.757 1.00 0.00 N ATOM 438 CA ILE A 412 2.672 0.040 6.000 1.00 0.00 C ATOM 439 C ILE A 412 1.321 -0.551 5.600 1.00 0.00 C ATOM 440 O ILE A 412 1.198 -1.201 4.565 1.00 0.00 O ATOM 441 CB ILE A 412 2.915 1.367 5.234 1.00 0.00 C ATOM 442 CG1 ILE A 412 1.769 2.357 5.463 1.00 0.00 C ATOM 443 CG2 ILE A 412 3.105 1.110 3.746 1.00 0.00 C ATOM 444 CD1 ILE A 412 1.666 2.842 6.891 1.00 0.00 C ATOM 0 H ILE A 412 3.444 -1.749 5.231 1.00 0.00 H new ATOM 0 HA ILE A 412 2.668 0.263 7.067 1.00 0.00 H new ATOM 0 HB ILE A 412 3.830 1.810 5.626 1.00 0.00 H new ATOM 0 HG12 ILE A 412 1.904 3.216 4.805 1.00 0.00 H new ATOM 0 HG13 ILE A 412 0.829 1.884 5.180 1.00 0.00 H new ATOM 0 HG21 ILE A 412 3.274 2.056 3.232 1.00 0.00 H new ATOM 0 HG22 ILE A 412 3.965 0.457 3.596 1.00 0.00 H new ATOM 0 HG23 ILE A 412 2.212 0.632 3.342 1.00 0.00 H new ATOM 0 HD11 ILE A 412 0.833 3.540 6.979 1.00 0.00 H new ATOM 0 HD12 ILE A 412 1.499 1.992 7.553 1.00 0.00 H new ATOM 0 HD13 ILE A 412 2.591 3.345 7.172 1.00 0.00 H new ATOM 456 N ASP A 413 0.322 -0.354 6.442 1.00 0.00 N ATOM 457 CA ASP A 413 -1.015 -0.870 6.178 1.00 0.00 C ATOM 458 C ASP A 413 -1.786 0.062 5.259 1.00 0.00 C ATOM 459 O ASP A 413 -1.610 1.280 5.292 1.00 0.00 O ATOM 460 CB ASP A 413 -1.799 -1.079 7.480 1.00 0.00 C ATOM 461 CG ASP A 413 -1.908 0.181 8.316 1.00 0.00 C ATOM 462 OD1 ASP A 413 -0.914 0.552 8.975 1.00 0.00 O ATOM 463 OD2 ASP A 413 -2.992 0.805 8.323 1.00 0.00 O ATOM 0 H ASP A 413 0.409 0.161 7.318 1.00 0.00 H new ATOM 0 HA ASP A 413 -0.898 -1.835 5.685 1.00 0.00 H new ATOM 0 HB2 ASP A 413 -2.800 -1.437 7.241 1.00 0.00 H new ATOM 0 HB3 ASP A 413 -1.314 -1.858 8.068 1.00 0.00 H new ATOM 468 N VAL A 414 -2.637 -0.518 4.430 1.00 0.00 N ATOM 469 CA VAL A 414 -3.461 0.262 3.521 1.00 0.00 C ATOM 470 C VAL A 414 -4.937 0.036 3.795 1.00 0.00 C ATOM 471 O VAL A 414 -5.449 -1.081 3.676 1.00 0.00 O ATOM 472 CB VAL A 414 -3.159 -0.053 2.038 1.00 0.00 C ATOM 473 CG1 VAL A 414 -4.144 0.658 1.121 1.00 0.00 C ATOM 474 CG2 VAL A 414 -1.736 0.341 1.685 1.00 0.00 C ATOM 0 H VAL A 414 -2.776 -1.527 4.367 1.00 0.00 H new ATOM 0 HA VAL A 414 -3.214 1.308 3.702 1.00 0.00 H new ATOM 0 HB VAL A 414 -3.269 -1.128 1.894 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -3.911 0.421 0.083 1.00 0.00 H new ATOM 0 HG12 VAL A 414 -5.157 0.328 1.350 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -4.070 1.735 1.273 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -1.544 0.111 0.637 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -1.602 1.410 1.852 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -1.039 -0.214 2.312 1.00 0.00 H new ATOM 484 N ALA A 415 -5.608 1.109 4.174 1.00 0.00 N ATOM 485 CA ALA A 415 -7.037 1.072 4.382 1.00 0.00 C ATOM 486 C ALA A 415 -7.742 1.703 3.192 1.00 0.00 C ATOM 487 O ALA A 415 -7.177 2.561 2.514 1.00 0.00 O ATOM 488 CB ALA A 415 -7.403 1.790 5.672 1.00 0.00 C ATOM 0 H ALA A 415 -5.180 2.019 4.344 1.00 0.00 H new ATOM 0 HA ALA A 415 -7.361 0.035 4.471 1.00 0.00 H new ATOM 0 HB1 ALA A 415 -8.483 1.754 5.815 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -6.909 1.302 6.513 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -7.079 2.829 5.614 1.00 0.00 H new ATOM 494 N CYS A 416 -8.959 1.277 2.918 1.00 0.00 N ATOM 495 CA CYS A 416 -9.703 1.827 1.800 1.00 0.00 C ATOM 496 C CYS A 416 -11.099 2.230 2.242 1.00 0.00 C ATOM 497 O CYS A 416 -11.470 2.013 3.394 1.00 0.00 O ATOM 498 CB CYS A 416 -9.788 0.812 0.664 1.00 0.00 C ATOM 499 SG CYS A 416 -9.936 1.569 -0.988 1.00 0.00 S ATOM 0 H CYS A 416 -9.451 0.558 3.448 1.00 0.00 H new ATOM 0 HA CYS A 416 -9.178 2.712 1.440 1.00 0.00 H new ATOM 0 HB2 CYS A 416 -8.900 0.181 0.686 1.00 0.00 H new ATOM 0 HB3 CYS A 416 -10.646 0.161 0.834 1.00 0.00 H new ATOM 504 N HIS A 417 -11.868 2.828 1.338 1.00 0.00 N ATOM 505 CA HIS A 417 -13.249 3.177 1.641 1.00 0.00 C ATOM 506 C HIS A 417 -14.062 1.906 1.867 1.00 0.00 C ATOM 507 O HIS A 417 -13.631 0.809 1.502 1.00 0.00 O ATOM 508 CB HIS A 417 -13.870 4.008 0.512 1.00 0.00 C ATOM 509 CG HIS A 417 -13.404 5.431 0.462 1.00 0.00 C ATOM 510 ND1 HIS A 417 -13.797 6.312 -0.520 1.00 0.00 N ATOM 511 CD2 HIS A 417 -12.576 6.126 1.277 1.00 0.00 C ATOM 512 CE1 HIS A 417 -13.233 7.485 -0.307 1.00 0.00 C ATOM 513 NE2 HIS A 417 -12.489 7.400 0.777 1.00 0.00 N ATOM 0 H HIS A 417 -11.561 3.079 0.398 1.00 0.00 H new ATOM 0 HA HIS A 417 -13.261 3.782 2.548 1.00 0.00 H new ATOM 0 HB2 HIS A 417 -13.643 3.530 -0.441 1.00 0.00 H new ATOM 0 HB3 HIS A 417 -14.954 3.997 0.624 1.00 0.00 H new ATOM 0 HD2 HIS A 417 -12.077 5.748 2.157 1.00 0.00 H new ATOM 0 HE1 HIS A 417 -13.360 8.366 -0.918 1.00 0.00 H new ATOM 0 HE2 HIS A 417 -11.938 8.158 1.179 1.00 0.00 H new ATOM 522 N PRO A 418 -15.247 2.038 2.475 1.00 0.00 N ATOM 523 CA PRO A 418 -16.099 0.899 2.814 1.00 0.00 C ATOM 524 C PRO A 418 -16.500 0.092 1.588 1.00 0.00 C ATOM 525 O PRO A 418 -17.265 0.557 0.741 1.00 0.00 O ATOM 526 CB PRO A 418 -17.330 1.543 3.455 1.00 0.00 C ATOM 527 CG PRO A 418 -16.881 2.892 3.882 1.00 0.00 C ATOM 528 CD PRO A 418 -15.858 3.309 2.872 1.00 0.00 C ATOM 0 HA PRO A 418 -15.587 0.192 3.467 1.00 0.00 H new ATOM 0 HB2 PRO A 418 -18.155 1.608 2.746 1.00 0.00 H new ATOM 0 HB3 PRO A 418 -17.684 0.958 4.304 1.00 0.00 H new ATOM 0 HG2 PRO A 418 -17.715 3.593 3.909 1.00 0.00 H new ATOM 0 HG3 PRO A 418 -16.455 2.865 4.885 1.00 0.00 H new ATOM 0 HD2 PRO A 418 -16.314 3.820 2.024 1.00 0.00 H new ATOM 0 HD3 PRO A 418 -15.125 3.993 3.299 1.00 0.00 H new ATOM 536 N GLY A 419 -15.975 -1.113 1.498 1.00 0.00 N ATOM 537 CA GLY A 419 -16.287 -1.972 0.381 1.00 0.00 C ATOM 538 C GLY A 419 -15.068 -2.311 -0.450 1.00 0.00 C ATOM 539 O GLY A 419 -15.150 -3.122 -1.368 1.00 0.00 O ATOM 0 H GLY A 419 -15.334 -1.515 2.182 1.00 0.00 H new ATOM 0 HA2 GLY A 419 -16.738 -2.893 0.750 1.00 0.00 H new ATOM 0 HA3 GLY A 419 -17.029 -1.485 -0.251 1.00 0.00 H new ATOM 543 N TYR A 420 -13.934 -1.694 -0.135 1.00 0.00 N ATOM 544 CA TYR A 420 -12.698 -1.944 -0.866 1.00 0.00 C ATOM 545 C TYR A 420 -11.658 -2.555 0.066 1.00 0.00 C ATOM 546 O TYR A 420 -11.693 -2.318 1.274 1.00 0.00 O ATOM 547 CB TYR A 420 -12.146 -0.644 -1.453 1.00 0.00 C ATOM 548 CG TYR A 420 -13.118 0.144 -2.310 1.00 0.00 C ATOM 549 CD1 TYR A 420 -14.128 0.905 -1.734 1.00 0.00 C ATOM 550 CD2 TYR A 420 -13.008 0.143 -3.694 1.00 0.00 C ATOM 551 CE1 TYR A 420 -15.003 1.637 -2.511 1.00 0.00 C ATOM 552 CE2 TYR A 420 -13.881 0.872 -4.479 1.00 0.00 C ATOM 553 CZ TYR A 420 -14.877 1.617 -3.882 1.00 0.00 C ATOM 554 OH TYR A 420 -15.745 2.349 -4.658 1.00 0.00 O ATOM 0 H TYR A 420 -13.846 -1.017 0.622 1.00 0.00 H new ATOM 0 HA TYR A 420 -12.916 -2.636 -1.679 1.00 0.00 H new ATOM 0 HB2 TYR A 420 -11.811 -0.008 -0.634 1.00 0.00 H new ATOM 0 HB3 TYR A 420 -11.267 -0.880 -2.053 1.00 0.00 H new ATOM 0 HD1 TYR A 420 -14.230 0.924 -0.659 1.00 0.00 H new ATOM 0 HD2 TYR A 420 -12.228 -0.437 -4.165 1.00 0.00 H new ATOM 0 HE1 TYR A 420 -15.782 2.222 -2.046 1.00 0.00 H new ATOM 0 HE2 TYR A 420 -13.784 0.859 -5.555 1.00 0.00 H new ATOM 0 HH TYR A 420 -15.520 2.227 -5.604 1.00 0.00 H new ATOM 564 N ALA A 421 -10.740 -3.335 -0.493 1.00 0.00 N ATOM 565 CA ALA A 421 -9.685 -3.965 0.295 1.00 0.00 C ATOM 566 C ALA A 421 -8.535 -4.411 -0.601 1.00 0.00 C ATOM 567 O ALA A 421 -8.719 -4.623 -1.798 1.00 0.00 O ATOM 568 CB ALA A 421 -10.236 -5.154 1.073 1.00 0.00 C ATOM 0 H ALA A 421 -10.704 -3.547 -1.490 1.00 0.00 H new ATOM 0 HA ALA A 421 -9.306 -3.229 1.004 1.00 0.00 H new ATOM 0 HB1 ALA A 421 -9.435 -5.611 1.654 1.00 0.00 H new ATOM 0 HB2 ALA A 421 -11.025 -4.815 1.745 1.00 0.00 H new ATOM 0 HB3 ALA A 421 -10.643 -5.887 0.377 1.00 0.00 H new ATOM 574 N LEU A 422 -7.349 -4.540 -0.021 1.00 0.00 N ATOM 575 CA LEU A 422 -6.181 -5.011 -0.760 1.00 0.00 C ATOM 576 C LEU A 422 -6.382 -6.435 -1.257 1.00 0.00 C ATOM 577 O LEU A 422 -7.073 -7.242 -0.631 1.00 0.00 O ATOM 578 CB LEU A 422 -4.922 -4.952 0.104 1.00 0.00 C ATOM 579 CG LEU A 422 -4.300 -3.568 0.270 1.00 0.00 C ATOM 580 CD1 LEU A 422 -3.258 -3.586 1.379 1.00 0.00 C ATOM 581 CD2 LEU A 422 -3.664 -3.120 -1.030 1.00 0.00 C ATOM 0 H LEU A 422 -7.169 -4.325 0.960 1.00 0.00 H new ATOM 0 HA LEU A 422 -6.057 -4.350 -1.617 1.00 0.00 H new ATOM 0 HB2 LEU A 422 -5.163 -5.343 1.092 1.00 0.00 H new ATOM 0 HB3 LEU A 422 -4.175 -5.617 -0.329 1.00 0.00 H new ATOM 0 HG LEU A 422 -5.088 -2.864 0.539 1.00 0.00 H new ATOM 0 HD11 LEU A 422 -2.823 -2.592 1.486 1.00 0.00 H new ATOM 0 HD12 LEU A 422 -3.730 -3.878 2.317 1.00 0.00 H new ATOM 0 HD13 LEU A 422 -2.474 -4.300 1.130 1.00 0.00 H new ATOM 0 HD21 LEU A 422 -3.224 -2.131 -0.898 1.00 0.00 H new ATOM 0 HD22 LEU A 422 -2.887 -3.828 -1.318 1.00 0.00 H new ATOM 0 HD23 LEU A 422 -4.423 -3.078 -1.811 1.00 0.00 H new ATOM 593 N PRO A 423 -5.778 -6.734 -2.409 1.00 0.00 N ATOM 594 CA PRO A 423 -5.827 -8.053 -3.041 1.00 0.00 C ATOM 595 C PRO A 423 -5.392 -9.166 -2.096 1.00 0.00 C ATOM 596 O PRO A 423 -4.499 -8.976 -1.270 1.00 0.00 O ATOM 597 CB PRO A 423 -4.846 -7.920 -4.204 1.00 0.00 C ATOM 598 CG PRO A 423 -4.865 -6.472 -4.522 1.00 0.00 C ATOM 599 CD PRO A 423 -5.001 -5.778 -3.203 1.00 0.00 C ATOM 0 HA PRO A 423 -6.838 -8.324 -3.347 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -3.847 -8.255 -3.924 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -5.156 -8.521 -5.059 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -3.951 -6.170 -5.033 1.00 0.00 H new ATOM 0 HG3 PRO A 423 -5.696 -6.226 -5.183 1.00 0.00 H new ATOM 0 HD2 PRO A 423 -4.030 -5.573 -2.752 1.00 0.00 H new ATOM 0 HD3 PRO A 423 -5.515 -4.822 -3.301 1.00 0.00 H new ATOM 607 N LYS A 424 -6.041 -10.320 -2.222 1.00 0.00 N ATOM 608 CA LYS A 424 -5.758 -11.482 -1.382 1.00 0.00 C ATOM 609 C LYS A 424 -6.032 -11.188 0.090 1.00 0.00 C ATOM 610 O LYS A 424 -5.419 -11.785 0.977 1.00 0.00 O ATOM 611 CB LYS A 424 -4.321 -11.968 -1.591 1.00 0.00 C ATOM 612 CG LYS A 424 -4.056 -12.412 -3.021 1.00 0.00 C ATOM 613 CD LYS A 424 -2.719 -13.112 -3.172 1.00 0.00 C ATOM 614 CE LYS A 424 -1.549 -12.174 -2.932 1.00 0.00 C ATOM 615 NZ LYS A 424 -0.251 -12.850 -3.186 1.00 0.00 N ATOM 0 H LYS A 424 -6.778 -10.477 -2.909 1.00 0.00 H new ATOM 0 HA LYS A 424 -6.433 -12.283 -1.685 1.00 0.00 H new ATOM 0 HB2 LYS A 424 -3.629 -11.168 -1.329 1.00 0.00 H new ATOM 0 HB3 LYS A 424 -4.120 -12.798 -0.914 1.00 0.00 H new ATOM 0 HG2 LYS A 424 -4.852 -13.083 -3.344 1.00 0.00 H new ATOM 0 HG3 LYS A 424 -4.085 -11.544 -3.679 1.00 0.00 H new ATOM 0 HD2 LYS A 424 -2.665 -13.944 -2.470 1.00 0.00 H new ATOM 0 HD3 LYS A 424 -2.644 -13.535 -4.174 1.00 0.00 H new ATOM 0 HE2 LYS A 424 -1.640 -11.303 -3.581 1.00 0.00 H new ATOM 0 HE3 LYS A 424 -1.577 -11.811 -1.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 424 0.528 -12.183 -3.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 424 -0.155 -13.667 -2.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 424 -0.216 -13.175 -4.173 1.00 0.00 H new ATOM 629 N ALA A 425 -6.972 -10.270 0.327 1.00 0.00 N ATOM 630 CA ALA A 425 -7.432 -9.922 1.674 1.00 0.00 C ATOM 631 C ALA A 425 -6.293 -9.403 2.551 1.00 0.00 C ATOM 632 O ALA A 425 -6.260 -9.645 3.760 1.00 0.00 O ATOM 633 CB ALA A 425 -8.117 -11.114 2.325 1.00 0.00 C ATOM 0 H ALA A 425 -7.438 -9.745 -0.413 1.00 0.00 H new ATOM 0 HA ALA A 425 -8.155 -9.112 1.576 1.00 0.00 H new ATOM 0 HB1 ALA A 425 -8.453 -10.839 3.325 1.00 0.00 H new ATOM 0 HB2 ALA A 425 -8.975 -11.414 1.724 1.00 0.00 H new ATOM 0 HB3 ALA A 425 -7.414 -11.945 2.394 1.00 0.00 H new ATOM 639 N GLN A 426 -5.370 -8.681 1.937 1.00 0.00 N ATOM 640 CA GLN A 426 -4.243 -8.107 2.649 1.00 0.00 C ATOM 641 C GLN A 426 -4.650 -6.808 3.334 1.00 0.00 C ATOM 642 O GLN A 426 -5.626 -6.169 2.942 1.00 0.00 O ATOM 643 CB GLN A 426 -3.094 -7.857 1.674 1.00 0.00 C ATOM 644 CG GLN A 426 -2.419 -9.128 1.190 1.00 0.00 C ATOM 645 CD GLN A 426 -1.682 -9.845 2.301 1.00 0.00 C ATOM 646 OE1 GLN A 426 -2.243 -10.695 2.991 1.00 0.00 O ATOM 647 NE2 GLN A 426 -0.414 -9.504 2.486 1.00 0.00 N ATOM 0 H GLN A 426 -5.381 -8.478 0.937 1.00 0.00 H new ATOM 0 HA GLN A 426 -3.914 -8.808 3.416 1.00 0.00 H new ATOM 0 HB2 GLN A 426 -3.473 -7.306 0.813 1.00 0.00 H new ATOM 0 HB3 GLN A 426 -2.351 -7.222 2.157 1.00 0.00 H new ATOM 0 HG2 GLN A 426 -3.168 -9.795 0.764 1.00 0.00 H new ATOM 0 HG3 GLN A 426 -1.719 -8.884 0.391 1.00 0.00 H new ATOM 0 HE21 GLN A 426 0.015 -8.794 1.892 1.00 0.00 H new ATOM 0 HE22 GLN A 426 0.132 -9.952 3.222 1.00 0.00 H new ATOM 656 N THR A 427 -3.904 -6.419 4.353 1.00 0.00 N ATOM 657 CA THR A 427 -4.185 -5.189 5.075 1.00 0.00 C ATOM 658 C THR A 427 -2.967 -4.294 5.061 1.00 0.00 C ATOM 659 O THR A 427 -3.042 -3.112 5.378 1.00 0.00 O ATOM 660 CB THR A 427 -4.581 -5.471 6.537 1.00 0.00 C ATOM 661 OG1 THR A 427 -3.735 -6.496 7.082 1.00 0.00 O ATOM 662 CG2 THR A 427 -6.039 -5.896 6.640 1.00 0.00 C ATOM 0 H THR A 427 -3.097 -6.938 4.700 1.00 0.00 H new ATOM 0 HA THR A 427 -5.020 -4.697 4.576 1.00 0.00 H new ATOM 0 HB THR A 427 -4.454 -4.551 7.107 1.00 0.00 H new ATOM 0 HG1 THR A 427 -2.796 -6.249 6.950 1.00 0.00 H new ATOM 0 HG21 THR A 427 -6.289 -6.088 7.683 1.00 0.00 H new ATOM 0 HG22 THR A 427 -6.678 -5.102 6.254 1.00 0.00 H new ATOM 0 HG23 THR A 427 -6.196 -6.803 6.056 1.00 0.00 H new ATOM 670 N THR A 428 -1.851 -4.870 4.662 1.00 0.00 N ATOM 671 CA THR A 428 -0.576 -4.198 4.731 1.00 0.00 C ATOM 672 C THR A 428 0.186 -4.376 3.424 1.00 0.00 C ATOM 673 O THR A 428 -0.076 -5.316 2.671 1.00 0.00 O ATOM 674 CB THR A 428 0.261 -4.781 5.878 1.00 0.00 C ATOM 675 OG1 THR A 428 -0.534 -5.688 6.656 1.00 0.00 O ATOM 676 CG2 THR A 428 0.814 -3.694 6.781 1.00 0.00 C ATOM 0 H THR A 428 -1.806 -5.815 4.282 1.00 0.00 H new ATOM 0 HA THR A 428 -0.754 -3.137 4.906 1.00 0.00 H new ATOM 0 HB THR A 428 1.102 -5.312 5.432 1.00 0.00 H new ATOM 0 HG1 THR A 428 0.008 -6.056 7.384 1.00 0.00 H new ATOM 0 HG21 THR A 428 1.400 -4.148 7.580 1.00 0.00 H new ATOM 0 HG22 THR A 428 1.449 -3.026 6.199 1.00 0.00 H new ATOM 0 HG23 THR A 428 -0.010 -3.126 7.213 1.00 0.00 H new ATOM 684 N VAL A 429 1.112 -3.476 3.160 1.00 0.00 N ATOM 685 CA VAL A 429 1.968 -3.558 1.991 1.00 0.00 C ATOM 686 C VAL A 429 3.362 -3.097 2.348 1.00 0.00 C ATOM 687 O VAL A 429 3.539 -2.163 3.125 1.00 0.00 O ATOM 688 CB VAL A 429 1.407 -2.725 0.818 1.00 0.00 C ATOM 689 CG1 VAL A 429 1.130 -1.292 1.239 1.00 0.00 C ATOM 690 CG2 VAL A 429 2.334 -2.743 -0.369 1.00 0.00 C ATOM 0 H VAL A 429 1.293 -2.665 3.751 1.00 0.00 H new ATOM 0 HA VAL A 429 2.003 -4.598 1.665 1.00 0.00 H new ATOM 0 HB VAL A 429 0.465 -3.188 0.524 1.00 0.00 H new ATOM 0 HG11 VAL A 429 0.736 -0.733 0.390 1.00 0.00 H new ATOM 0 HG12 VAL A 429 0.400 -1.285 2.048 1.00 0.00 H new ATOM 0 HG13 VAL A 429 2.055 -0.828 1.581 1.00 0.00 H new ATOM 0 HG21 VAL A 429 1.906 -2.146 -1.174 1.00 0.00 H new ATOM 0 HG22 VAL A 429 3.300 -2.326 -0.083 1.00 0.00 H new ATOM 0 HG23 VAL A 429 2.468 -3.769 -0.710 1.00 0.00 H new ATOM 700 N THR A 430 4.357 -3.772 1.811 1.00 0.00 N ATOM 701 CA THR A 430 5.713 -3.440 2.152 1.00 0.00 C ATOM 702 C THR A 430 6.657 -3.549 0.980 1.00 0.00 C ATOM 703 O THR A 430 6.368 -4.190 -0.028 1.00 0.00 O ATOM 704 CB THR A 430 6.226 -4.276 3.344 1.00 0.00 C ATOM 705 OG1 THR A 430 7.641 -4.488 3.270 1.00 0.00 O ATOM 706 CG2 THR A 430 5.508 -5.612 3.459 1.00 0.00 C ATOM 0 H THR A 430 4.250 -4.540 1.148 1.00 0.00 H new ATOM 0 HA THR A 430 5.695 -2.392 2.452 1.00 0.00 H new ATOM 0 HB THR A 430 6.007 -3.695 4.240 1.00 0.00 H new ATOM 0 HG1 THR A 430 8.109 -3.662 3.513 1.00 0.00 H new ATOM 0 HG21 THR A 430 5.902 -6.165 4.312 1.00 0.00 H new ATOM 0 HG22 THR A 430 4.441 -5.441 3.600 1.00 0.00 H new ATOM 0 HG23 THR A 430 5.665 -6.189 2.548 1.00 0.00 H new ATOM 714 N CYS A 431 7.778 -2.880 1.139 1.00 0.00 N ATOM 715 CA CYS A 431 8.820 -2.838 0.132 1.00 0.00 C ATOM 716 C CYS A 431 9.718 -4.055 0.298 1.00 0.00 C ATOM 717 O CYS A 431 10.759 -3.981 0.949 1.00 0.00 O ATOM 718 CB CYS A 431 9.632 -1.547 0.292 1.00 0.00 C ATOM 719 SG CYS A 431 10.736 -1.161 -1.104 1.00 0.00 S ATOM 0 H CYS A 431 7.996 -2.344 1.979 1.00 0.00 H new ATOM 0 HA CYS A 431 8.380 -2.852 -0.865 1.00 0.00 H new ATOM 0 HB2 CYS A 431 8.942 -0.715 0.432 1.00 0.00 H new ATOM 0 HB3 CYS A 431 10.230 -1.621 1.200 1.00 0.00 H new ATOM 724 N MET A 432 9.297 -5.182 -0.268 1.00 0.00 N ATOM 725 CA MET A 432 10.004 -6.440 -0.057 1.00 0.00 C ATOM 726 C MET A 432 11.351 -6.444 -0.771 1.00 0.00 C ATOM 727 O MET A 432 12.354 -6.871 -0.203 1.00 0.00 O ATOM 728 CB MET A 432 9.158 -7.647 -0.506 1.00 0.00 C ATOM 729 CG MET A 432 9.104 -7.839 -2.011 1.00 0.00 C ATOM 730 SD MET A 432 8.346 -9.401 -2.497 1.00 0.00 S ATOM 731 CE MET A 432 9.439 -10.575 -1.696 1.00 0.00 C ATOM 0 H MET A 432 8.477 -5.250 -0.871 1.00 0.00 H new ATOM 0 HA MET A 432 10.182 -6.531 1.015 1.00 0.00 H new ATOM 0 HB2 MET A 432 9.562 -8.551 -0.049 1.00 0.00 H new ATOM 0 HB3 MET A 432 8.142 -7.526 -0.129 1.00 0.00 H new ATOM 0 HG2 MET A 432 8.545 -7.016 -2.457 1.00 0.00 H new ATOM 0 HG3 MET A 432 10.116 -7.792 -2.414 1.00 0.00 H new ATOM 0 HE1 MET A 432 9.401 -11.527 -2.225 1.00 0.00 H new ATOM 0 HE2 MET A 432 10.459 -10.191 -1.712 1.00 0.00 H new ATOM 0 HE3 MET A 432 9.122 -10.721 -0.663 1.00 0.00 H new ATOM 741 N GLU A 433 11.372 -5.952 -2.005 1.00 0.00 N ATOM 742 CA GLU A 433 12.590 -5.939 -2.804 1.00 0.00 C ATOM 743 C GLU A 433 12.347 -5.216 -4.118 1.00 0.00 C ATOM 744 O GLU A 433 12.911 -4.155 -4.365 1.00 0.00 O ATOM 745 CB GLU A 433 13.091 -7.364 -3.073 1.00 0.00 C ATOM 746 CG GLU A 433 14.371 -7.410 -3.889 1.00 0.00 C ATOM 747 CD GLU A 433 14.935 -8.807 -4.007 1.00 0.00 C ATOM 748 OE1 GLU A 433 15.680 -9.230 -3.097 1.00 0.00 O ATOM 749 OE2 GLU A 433 14.638 -9.486 -5.012 1.00 0.00 O ATOM 0 H GLU A 433 10.557 -5.556 -2.474 1.00 0.00 H new ATOM 0 HA GLU A 433 13.358 -5.409 -2.240 1.00 0.00 H new ATOM 0 HB2 GLU A 433 13.258 -7.868 -2.121 1.00 0.00 H new ATOM 0 HB3 GLU A 433 12.315 -7.921 -3.597 1.00 0.00 H new ATOM 0 HG2 GLU A 433 14.176 -7.015 -4.886 1.00 0.00 H new ATOM 0 HG3 GLU A 433 15.115 -6.760 -3.429 1.00 0.00 H new ATOM 756 N ASN A 434 11.492 -5.789 -4.948 1.00 0.00 N ATOM 757 CA ASN A 434 11.159 -5.194 -6.236 1.00 0.00 C ATOM 758 C ASN A 434 10.184 -4.038 -6.060 1.00 0.00 C ATOM 759 O ASN A 434 9.971 -3.242 -6.973 1.00 0.00 O ATOM 760 CB ASN A 434 10.565 -6.246 -7.187 1.00 0.00 C ATOM 761 CG ASN A 434 9.325 -6.931 -6.629 1.00 0.00 C ATOM 762 OD1 ASN A 434 9.232 -7.211 -5.431 1.00 0.00 O ATOM 763 ND2 ASN A 434 8.354 -7.192 -7.488 1.00 0.00 N ATOM 0 H ASN A 434 11.013 -6.669 -4.754 1.00 0.00 H new ATOM 0 HA ASN A 434 12.080 -4.810 -6.675 1.00 0.00 H new ATOM 0 HB2 ASN A 434 10.313 -5.768 -8.134 1.00 0.00 H new ATOM 0 HB3 ASN A 434 11.322 -7.000 -7.402 1.00 0.00 H new ATOM 0 HD21 ASN A 434 7.495 -7.638 -7.167 1.00 0.00 H new ATOM 0 HD22 ASN A 434 8.464 -6.947 -8.472 1.00 0.00 H new ATOM 770 N GLY A 435 9.610 -3.941 -4.875 1.00 0.00 N ATOM 771 CA GLY A 435 8.666 -2.889 -4.591 1.00 0.00 C ATOM 772 C GLY A 435 7.648 -3.318 -3.566 1.00 0.00 C ATOM 773 O GLY A 435 7.898 -4.248 -2.794 1.00 0.00 O ATOM 0 H GLY A 435 9.784 -4.579 -4.098 1.00 0.00 H new ATOM 0 HA2 GLY A 435 9.199 -2.009 -4.229 1.00 0.00 H new ATOM 0 HA3 GLY A 435 8.157 -2.598 -5.510 1.00 0.00 H new ATOM 777 N TRP A 436 6.516 -2.627 -3.548 1.00 0.00 N ATOM 778 CA TRP A 436 5.395 -2.998 -2.699 1.00 0.00 C ATOM 779 C TRP A 436 4.913 -4.397 -3.078 1.00 0.00 C ATOM 780 O TRP A 436 4.318 -4.596 -4.136 1.00 0.00 O ATOM 781 CB TRP A 436 4.262 -1.982 -2.862 1.00 0.00 C ATOM 782 CG TRP A 436 4.632 -0.579 -2.480 1.00 0.00 C ATOM 783 CD1 TRP A 436 4.638 0.521 -3.291 1.00 0.00 C ATOM 784 CD2 TRP A 436 5.051 -0.125 -1.191 1.00 0.00 C ATOM 785 NE1 TRP A 436 5.025 1.628 -2.580 1.00 0.00 N ATOM 786 CE2 TRP A 436 5.288 1.257 -1.289 1.00 0.00 C ATOM 787 CE3 TRP A 436 5.245 -0.755 0.038 1.00 0.00 C ATOM 788 CZ2 TRP A 436 5.711 2.017 -0.202 1.00 0.00 C ATOM 789 CZ3 TRP A 436 5.665 -0.002 1.116 1.00 0.00 C ATOM 790 CH2 TRP A 436 5.893 1.371 0.990 1.00 0.00 C ATOM 0 H TRP A 436 6.351 -1.798 -4.119 1.00 0.00 H new ATOM 0 HA TRP A 436 5.712 -3.001 -1.656 1.00 0.00 H new ATOM 0 HB2 TRP A 436 3.931 -1.988 -3.900 1.00 0.00 H new ATOM 0 HB3 TRP A 436 3.414 -2.300 -2.255 1.00 0.00 H new ATOM 0 HD1 TRP A 436 4.376 0.519 -4.339 1.00 0.00 H new ATOM 0 HE1 TRP A 436 5.104 2.574 -2.953 1.00 0.00 H new ATOM 0 HE3 TRP A 436 5.069 -1.815 0.145 1.00 0.00 H new ATOM 0 HZ2 TRP A 436 5.889 3.078 -0.296 1.00 0.00 H new ATOM 0 HZ3 TRP A 436 5.820 -0.481 2.071 1.00 0.00 H new ATOM 0 HH2 TRP A 436 6.220 1.934 1.852 1.00 0.00 H new ATOM 801 N SER A 437 5.168 -5.354 -2.195 1.00 0.00 N ATOM 802 CA SER A 437 4.988 -6.764 -2.508 1.00 0.00 C ATOM 803 C SER A 437 3.508 -7.155 -2.653 1.00 0.00 C ATOM 804 O SER A 437 3.140 -7.770 -3.650 1.00 0.00 O ATOM 805 CB SER A 437 5.727 -7.625 -1.471 1.00 0.00 C ATOM 806 OG SER A 437 5.737 -7.011 -0.194 1.00 0.00 O ATOM 0 H SER A 437 5.503 -5.176 -1.248 1.00 0.00 H new ATOM 0 HA SER A 437 5.429 -6.954 -3.487 1.00 0.00 H new ATOM 0 HB2 SER A 437 5.249 -8.602 -1.402 1.00 0.00 H new ATOM 0 HB3 SER A 437 6.752 -7.794 -1.802 1.00 0.00 H new ATOM 0 HG SER A 437 5.913 -7.687 0.493 1.00 0.00 H new ATOM 812 N PRO A 438 2.632 -6.826 -1.678 1.00 0.00 N ATOM 813 CA PRO A 438 1.182 -7.022 -1.830 1.00 0.00 C ATOM 814 C PRO A 438 0.602 -6.158 -2.946 1.00 0.00 C ATOM 815 O PRO A 438 -0.444 -6.480 -3.510 1.00 0.00 O ATOM 816 CB PRO A 438 0.619 -6.567 -0.481 1.00 0.00 C ATOM 817 CG PRO A 438 1.755 -6.684 0.460 1.00 0.00 C ATOM 818 CD PRO A 438 2.954 -6.301 -0.341 1.00 0.00 C ATOM 0 HA PRO A 438 0.936 -8.051 -2.091 1.00 0.00 H new ATOM 0 HB2 PRO A 438 0.251 -5.542 -0.531 1.00 0.00 H new ATOM 0 HB3 PRO A 438 -0.218 -7.192 -0.170 1.00 0.00 H new ATOM 0 HG2 PRO A 438 1.626 -6.026 1.319 1.00 0.00 H new ATOM 0 HG3 PRO A 438 1.845 -7.699 0.847 1.00 0.00 H new ATOM 0 HD2 PRO A 438 3.103 -5.221 -0.355 1.00 0.00 H new ATOM 0 HD3 PRO A 438 3.866 -6.744 0.059 1.00 0.00 H new ATOM 826 N THR A 439 1.310 -5.072 -3.259 1.00 0.00 N ATOM 827 CA THR A 439 0.847 -4.072 -4.216 1.00 0.00 C ATOM 828 C THR A 439 -0.354 -3.297 -3.657 1.00 0.00 C ATOM 829 O THR A 439 -1.450 -3.839 -3.508 1.00 0.00 O ATOM 830 CB THR A 439 0.496 -4.708 -5.578 1.00 0.00 C ATOM 831 OG1 THR A 439 1.618 -5.464 -6.056 1.00 0.00 O ATOM 832 CG2 THR A 439 0.127 -3.644 -6.601 1.00 0.00 C ATOM 0 H THR A 439 2.222 -4.863 -2.854 1.00 0.00 H new ATOM 0 HA THR A 439 1.666 -3.372 -4.379 1.00 0.00 H new ATOM 0 HB THR A 439 -0.364 -5.363 -5.440 1.00 0.00 H new ATOM 0 HG1 THR A 439 1.395 -5.869 -6.920 1.00 0.00 H new ATOM 0 HG21 THR A 439 -0.115 -4.121 -7.551 1.00 0.00 H new ATOM 0 HG22 THR A 439 -0.737 -3.082 -6.246 1.00 0.00 H new ATOM 0 HG23 THR A 439 0.969 -2.966 -6.740 1.00 0.00 H new ATOM 840 N PRO A 440 -0.151 -2.012 -3.327 1.00 0.00 N ATOM 841 CA PRO A 440 -1.171 -1.189 -2.681 1.00 0.00 C ATOM 842 C PRO A 440 -2.272 -0.739 -3.640 1.00 0.00 C ATOM 843 O PRO A 440 -2.235 0.365 -4.181 1.00 0.00 O ATOM 844 CB PRO A 440 -0.385 0.011 -2.155 1.00 0.00 C ATOM 845 CG PRO A 440 0.823 0.111 -3.025 1.00 0.00 C ATOM 846 CD PRO A 440 1.094 -1.265 -3.571 1.00 0.00 C ATOM 0 HA PRO A 440 -1.698 -1.742 -1.904 1.00 0.00 H new ATOM 0 HB2 PRO A 440 -0.981 0.922 -2.205 1.00 0.00 H new ATOM 0 HB3 PRO A 440 -0.106 -0.130 -1.111 1.00 0.00 H new ATOM 0 HG2 PRO A 440 0.656 0.820 -3.836 1.00 0.00 H new ATOM 0 HG3 PRO A 440 1.678 0.474 -2.455 1.00 0.00 H new ATOM 0 HD2 PRO A 440 1.334 -1.230 -4.634 1.00 0.00 H new ATOM 0 HD3 PRO A 440 1.941 -1.731 -3.068 1.00 0.00 H new ATOM 854 N ARG A 441 -3.247 -1.611 -3.845 1.00 0.00 N ATOM 855 CA ARG A 441 -4.399 -1.312 -4.685 1.00 0.00 C ATOM 856 C ARG A 441 -5.651 -1.887 -4.046 1.00 0.00 C ATOM 857 O ARG A 441 -5.937 -3.073 -4.187 1.00 0.00 O ATOM 858 CB ARG A 441 -4.218 -1.905 -6.088 1.00 0.00 C ATOM 859 CG ARG A 441 -3.089 -1.279 -6.890 1.00 0.00 C ATOM 860 CD ARG A 441 -2.901 -1.979 -8.228 1.00 0.00 C ATOM 861 NE ARG A 441 -1.817 -1.382 -9.007 1.00 0.00 N ATOM 862 CZ ARG A 441 -1.273 -1.939 -10.090 1.00 0.00 C ATOM 863 NH1 ARG A 441 -1.733 -3.096 -10.553 1.00 0.00 N ATOM 864 NH2 ARG A 441 -0.278 -1.322 -10.717 1.00 0.00 N ATOM 0 H ARG A 441 -3.263 -2.545 -3.435 1.00 0.00 H new ATOM 0 HA ARG A 441 -4.493 -0.230 -4.777 1.00 0.00 H new ATOM 0 HB2 ARG A 441 -4.033 -2.975 -5.996 1.00 0.00 H new ATOM 0 HB3 ARG A 441 -5.150 -1.789 -6.642 1.00 0.00 H new ATOM 0 HG2 ARG A 441 -3.302 -0.223 -7.057 1.00 0.00 H new ATOM 0 HG3 ARG A 441 -2.163 -1.331 -6.318 1.00 0.00 H new ATOM 0 HD2 ARG A 441 -2.688 -3.035 -8.059 1.00 0.00 H new ATOM 0 HD3 ARG A 441 -3.829 -1.928 -8.798 1.00 0.00 H new ATOM 0 HE ARG A 441 -1.453 -0.480 -8.702 1.00 0.00 H new ATOM 0 HH11 ARG A 441 -2.506 -3.563 -10.080 1.00 0.00 H new ATOM 0 HH12 ARG A 441 -1.313 -3.517 -11.382 1.00 0.00 H new ATOM 0 HH21 ARG A 441 0.066 -0.427 -10.370 1.00 0.00 H new ATOM 0 HH22 ARG A 441 0.142 -1.743 -11.546 1.00 0.00 H new ATOM 878 N CYS A 442 -6.385 -1.055 -3.329 1.00 0.00 N ATOM 879 CA CYS A 442 -7.549 -1.531 -2.603 1.00 0.00 C ATOM 880 C CYS A 442 -8.746 -1.702 -3.532 1.00 0.00 C ATOM 881 O CYS A 442 -9.609 -0.834 -3.646 1.00 0.00 O ATOM 882 CB CYS A 442 -7.876 -0.598 -1.434 1.00 0.00 C ATOM 883 SG CYS A 442 -8.172 1.139 -1.895 1.00 0.00 S ATOM 0 H CYS A 442 -6.199 -0.057 -3.234 1.00 0.00 H new ATOM 0 HA CYS A 442 -7.315 -2.513 -2.192 1.00 0.00 H new ATOM 0 HB2 CYS A 442 -8.760 -0.978 -0.922 1.00 0.00 H new ATOM 0 HB3 CYS A 442 -7.054 -0.633 -0.719 1.00 0.00 H new ATOM 888 N ILE A 443 -8.767 -2.835 -4.210 1.00 0.00 N ATOM 889 CA ILE A 443 -9.859 -3.203 -5.085 1.00 0.00 C ATOM 890 C ILE A 443 -11.115 -3.483 -4.281 1.00 0.00 C ATOM 891 O ILE A 443 -11.055 -3.952 -3.144 1.00 0.00 O ATOM 892 CB ILE A 443 -9.490 -4.438 -5.928 1.00 0.00 C ATOM 893 CG1 ILE A 443 -8.850 -5.524 -5.054 1.00 0.00 C ATOM 894 CG2 ILE A 443 -8.556 -4.043 -7.065 1.00 0.00 C ATOM 895 CD1 ILE A 443 -8.642 -6.840 -5.772 1.00 0.00 C ATOM 0 H ILE A 443 -8.020 -3.529 -4.167 1.00 0.00 H new ATOM 0 HA ILE A 443 -10.049 -2.366 -5.757 1.00 0.00 H new ATOM 0 HB ILE A 443 -10.405 -4.847 -6.357 1.00 0.00 H new ATOM 0 HG12 ILE A 443 -7.888 -5.164 -4.689 1.00 0.00 H new ATOM 0 HG13 ILE A 443 -9.480 -5.693 -4.180 1.00 0.00 H new ATOM 0 HG21 ILE A 443 -8.304 -4.926 -7.652 1.00 0.00 H new ATOM 0 HG22 ILE A 443 -9.050 -3.311 -7.704 1.00 0.00 H new ATOM 0 HG23 ILE A 443 -7.645 -3.609 -6.653 1.00 0.00 H new ATOM 0 HD11 ILE A 443 -8.186 -7.558 -5.091 1.00 0.00 H new ATOM 0 HD12 ILE A 443 -9.603 -7.224 -6.114 1.00 0.00 H new ATOM 0 HD13 ILE A 443 -7.987 -6.687 -6.630 1.00 0.00 H new ATOM 907 N ARG A 444 -12.253 -3.176 -4.871 1.00 0.00 N ATOM 908 CA ARG A 444 -13.517 -3.312 -4.213 1.00 0.00 C ATOM 909 C ARG A 444 -13.825 -4.771 -3.953 1.00 0.00 C ATOM 910 O ARG A 444 -14.028 -5.562 -4.876 1.00 0.00 O ATOM 911 CB ARG A 444 -14.584 -2.658 -5.075 1.00 0.00 C ATOM 912 CG ARG A 444 -15.874 -2.418 -4.338 1.00 0.00 C ATOM 913 CD ARG A 444 -16.935 -1.785 -5.226 1.00 0.00 C ATOM 914 NE ARG A 444 -17.655 -2.773 -6.024 1.00 0.00 N ATOM 915 CZ ARG A 444 -18.183 -2.524 -7.221 1.00 0.00 C ATOM 916 NH1 ARG A 444 -18.022 -1.335 -7.791 1.00 0.00 N ATOM 917 NH2 ARG A 444 -18.865 -3.472 -7.851 1.00 0.00 N ATOM 0 H ARG A 444 -12.317 -2.824 -5.826 1.00 0.00 H new ATOM 0 HA ARG A 444 -13.491 -2.815 -3.243 1.00 0.00 H new ATOM 0 HB2 ARG A 444 -14.206 -1.708 -5.452 1.00 0.00 H new ATOM 0 HB3 ARG A 444 -14.780 -3.289 -5.942 1.00 0.00 H new ATOM 0 HG2 ARG A 444 -16.248 -3.364 -3.946 1.00 0.00 H new ATOM 0 HG3 ARG A 444 -15.686 -1.770 -3.482 1.00 0.00 H new ATOM 0 HD2 ARG A 444 -17.644 -1.237 -4.606 1.00 0.00 H new ATOM 0 HD3 ARG A 444 -16.464 -1.060 -5.889 1.00 0.00 H new ATOM 0 HE ARG A 444 -17.760 -3.712 -5.641 1.00 0.00 H new ATOM 0 HH11 ARG A 444 -17.492 -0.607 -7.312 1.00 0.00 H new ATOM 0 HH12 ARG A 444 -18.429 -1.150 -8.708 1.00 0.00 H new ATOM 0 HH21 ARG A 444 -18.984 -4.388 -7.418 1.00 0.00 H new ATOM 0 HH22 ARG A 444 -19.271 -3.285 -8.768 1.00 0.00 H new ATOM 931 N VAL A 445 -13.854 -5.103 -2.678 1.00 0.00 N ATOM 932 CA VAL A 445 -14.025 -6.465 -2.238 1.00 0.00 C ATOM 933 C VAL A 445 -15.485 -6.889 -2.383 1.00 0.00 C ATOM 934 O VAL A 445 -15.801 -8.076 -2.455 1.00 0.00 O ATOM 935 CB VAL A 445 -13.551 -6.616 -0.774 1.00 0.00 C ATOM 936 CG1 VAL A 445 -14.526 -5.967 0.200 1.00 0.00 C ATOM 937 CG2 VAL A 445 -13.322 -8.076 -0.423 1.00 0.00 C ATOM 0 H VAL A 445 -13.759 -4.430 -1.918 1.00 0.00 H new ATOM 0 HA VAL A 445 -13.417 -7.118 -2.864 1.00 0.00 H new ATOM 0 HB VAL A 445 -12.599 -6.093 -0.683 1.00 0.00 H new ATOM 0 HG11 VAL A 445 -14.160 -6.093 1.219 1.00 0.00 H new ATOM 0 HG12 VAL A 445 -14.613 -4.904 -0.026 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -15.504 -6.439 0.105 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -12.989 -8.154 0.612 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -14.252 -8.630 -0.548 1.00 0.00 H new ATOM 0 HG23 VAL A 445 -12.560 -8.493 -1.081 1.00 0.00 H new ATOM 947 N LYS A 446 -16.369 -5.902 -2.428 1.00 0.00 N ATOM 948 CA LYS A 446 -17.779 -6.143 -2.650 1.00 0.00 C ATOM 949 C LYS A 446 -18.144 -5.777 -4.080 1.00 0.00 C ATOM 950 O LYS A 446 -18.580 -4.633 -4.310 1.00 0.00 O ATOM 951 CB LYS A 446 -18.613 -5.325 -1.663 1.00 0.00 C ATOM 952 CG LYS A 446 -18.380 -5.700 -0.209 1.00 0.00 C ATOM 953 CD LYS A 446 -19.244 -4.869 0.727 1.00 0.00 C ATOM 954 CE LYS A 446 -20.728 -5.147 0.532 1.00 0.00 C ATOM 955 NZ LYS A 446 -21.080 -6.554 0.859 1.00 0.00 N ATOM 956 OXT LYS A 446 -17.954 -6.621 -4.978 1.00 0.00 O ATOM 0 H LYS A 446 -16.126 -4.918 -2.312 1.00 0.00 H new ATOM 0 HA LYS A 446 -17.991 -7.200 -2.491 1.00 0.00 H new ATOM 0 HB2 LYS A 446 -18.385 -4.268 -1.797 1.00 0.00 H new ATOM 0 HB3 LYS A 446 -19.669 -5.456 -1.898 1.00 0.00 H new ATOM 0 HG2 LYS A 446 -18.600 -6.758 -0.065 1.00 0.00 H new ATOM 0 HG3 LYS A 446 -17.329 -5.556 0.041 1.00 0.00 H new ATOM 0 HD2 LYS A 446 -18.968 -5.082 1.760 1.00 0.00 H new ATOM 0 HD3 LYS A 446 -19.048 -3.810 0.557 1.00 0.00 H new ATOM 0 HE2 LYS A 446 -21.309 -4.473 1.161 1.00 0.00 H new ATOM 0 HE3 LYS A 446 -21.004 -4.935 -0.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 446 -22.114 -6.650 0.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 446 -20.710 -7.185 0.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 446 -20.662 -6.812 1.776 1.00 0.00 H new