USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 457 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 432 MET CE :methyl -178:sc= -0.0714 (180deg=-0.0954) USER MOD Set 1.2: A 437 SER OG : rot 82:sc= -5.22! USER MOD Single : A 388 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0159) USER MOD Single : A 390 TYR OH : rot 180:sc= -0.545 USER MOD Single : A 393 TYR OH : rot 180:sc= 0 USER MOD Single : A 396 ASN : amide:sc= -1.69 K(o=-1.7,f=-5.1!) USER MOD Single : A 398 TYR OH : rot 30:sc= 0 USER MOD Single : A 399 ASN : amide:sc= -0.603 X(o=-0.6,f=-0.16) USER MOD Single : A 400 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 401 ASN : amide:sc= 0.957 K(o=0.96,f=-0.28) USER MOD Single : A 402 TYR OH : rot 180:sc= 0 USER MOD Single : A 405 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 408 GLN :FLIP amide:sc= -3.33! C(o=-5.6!,f=-3.3!) USER MOD Single : A 410 LYS NZ :NH3+ 164:sc= -0.0233 (180deg=-0.251) USER MOD Single : A 411 SER OG : rot 180:sc= -0.515 USER MOD Single : A 417 HIS : no HD1:sc= -0.0296 X(o=-0.03,f=0) USER MOD Single : A 420 TYR OH : rot 180:sc= 0 USER MOD Single : A 424 LYS NZ :NH3+ 161:sc= -0.0839 (180deg=-0.451) USER MOD Single : A 426 GLN :FLIP amide:sc= -0.0045 F(o=-3.5!,f=-0.0045) USER MOD Single : A 427 THR OG1 : rot 180:sc= 0 USER MOD Single : A 428 THR OG1 : rot 180:sc= 0 USER MOD Single : A 430 THR OG1 : rot 180:sc= 0 USER MOD Single : A 434 ASN : amide:sc= -0.125 X(o=-0.13,f=-0.18) USER MOD Single : A 439 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N ARG A 387 16.290 -0.964 -2.280 1.00 0.00 N ATOM 21 CA ARG A 387 15.443 0.091 -2.825 1.00 0.00 C ATOM 22 C ARG A 387 14.638 0.767 -1.735 1.00 0.00 C ATOM 23 O ARG A 387 14.516 0.260 -0.620 1.00 0.00 O ATOM 24 CB ARG A 387 14.485 -0.421 -3.898 1.00 0.00 C ATOM 25 CG ARG A 387 15.176 -0.975 -5.122 1.00 0.00 C ATOM 26 CD ARG A 387 14.412 -0.641 -6.387 1.00 0.00 C ATOM 27 NE ARG A 387 14.450 -1.733 -7.352 1.00 0.00 N ATOM 28 CZ ARG A 387 14.187 -1.592 -8.644 1.00 0.00 C ATOM 29 NH1 ARG A 387 13.983 -0.389 -9.161 1.00 0.00 N ATOM 30 NH2 ARG A 387 14.142 -2.658 -9.425 1.00 0.00 N ATOM 0 HA ARG A 387 16.122 0.810 -3.284 1.00 0.00 H new ATOM 0 HB2 ARG A 387 13.854 -1.198 -3.467 1.00 0.00 H new ATOM 0 HB3 ARG A 387 13.827 0.393 -4.202 1.00 0.00 H new ATOM 0 HG2 ARG A 387 16.185 -0.569 -5.187 1.00 0.00 H new ATOM 0 HG3 ARG A 387 15.273 -2.057 -5.029 1.00 0.00 H new ATOM 0 HD2 ARG A 387 13.376 -0.415 -6.136 1.00 0.00 H new ATOM 0 HD3 ARG A 387 14.834 0.257 -6.839 1.00 0.00 H new ATOM 0 HE ARG A 387 14.694 -2.663 -7.012 1.00 0.00 H new ATOM 0 HH11 ARG A 387 14.028 0.437 -8.564 1.00 0.00 H new ATOM 0 HH12 ARG A 387 13.781 -0.289 -10.156 1.00 0.00 H new ATOM 0 HH21 ARG A 387 14.309 -3.585 -9.033 1.00 0.00 H new ATOM 0 HH22 ARG A 387 13.940 -2.554 -10.419 1.00 0.00 H new ATOM 44 N LYS A 388 14.086 1.914 -2.087 1.00 0.00 N ATOM 45 CA LYS A 388 13.280 2.708 -1.176 1.00 0.00 C ATOM 46 C LYS A 388 12.001 3.163 -1.867 1.00 0.00 C ATOM 47 O LYS A 388 12.007 4.097 -2.664 1.00 0.00 O ATOM 48 CB LYS A 388 14.070 3.910 -0.628 1.00 0.00 C ATOM 49 CG LYS A 388 15.196 4.420 -1.524 1.00 0.00 C ATOM 50 CD LYS A 388 16.433 3.531 -1.429 1.00 0.00 C ATOM 51 CE LYS A 388 17.590 4.073 -2.248 1.00 0.00 C ATOM 52 NZ LYS A 388 18.193 5.284 -1.628 1.00 0.00 N ATOM 0 H LYS A 388 14.184 2.323 -3.016 1.00 0.00 H new ATOM 0 HA LYS A 388 13.012 2.082 -0.325 1.00 0.00 H new ATOM 0 HB2 LYS A 388 13.373 4.729 -0.448 1.00 0.00 H new ATOM 0 HB3 LYS A 388 14.494 3.634 0.337 1.00 0.00 H new ATOM 0 HG2 LYS A 388 14.852 4.457 -2.558 1.00 0.00 H new ATOM 0 HG3 LYS A 388 15.456 5.439 -1.238 1.00 0.00 H new ATOM 0 HD2 LYS A 388 16.737 3.444 -0.386 1.00 0.00 H new ATOM 0 HD3 LYS A 388 16.185 2.527 -1.773 1.00 0.00 H new ATOM 0 HE2 LYS A 388 18.353 3.301 -2.353 1.00 0.00 H new ATOM 0 HE3 LYS A 388 17.241 4.315 -3.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 19.031 5.572 -2.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 17.497 6.057 -1.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 18.473 5.070 -0.649 1.00 0.00 H new ATOM 66 N CYS A 389 10.921 2.467 -1.555 1.00 0.00 N ATOM 67 CA CYS A 389 9.623 2.692 -2.169 1.00 0.00 C ATOM 68 C CYS A 389 9.010 4.029 -1.774 1.00 0.00 C ATOM 69 O CYS A 389 9.170 4.499 -0.646 1.00 0.00 O ATOM 70 CB CYS A 389 8.677 1.573 -1.745 1.00 0.00 C ATOM 71 SG CYS A 389 8.680 1.273 0.041 1.00 0.00 S ATOM 0 H CYS A 389 10.921 1.721 -0.860 1.00 0.00 H new ATOM 0 HA CYS A 389 9.769 2.704 -3.249 1.00 0.00 H new ATOM 0 HB2 CYS A 389 7.665 1.822 -2.063 1.00 0.00 H new ATOM 0 HB3 CYS A 389 8.957 0.655 -2.261 1.00 0.00 H new ATOM 76 N TYR A 390 8.309 4.631 -2.720 1.00 0.00 N ATOM 77 CA TYR A 390 7.467 5.784 -2.452 1.00 0.00 C ATOM 78 C TYR A 390 6.009 5.342 -2.516 1.00 0.00 C ATOM 79 O TYR A 390 5.615 4.636 -3.446 1.00 0.00 O ATOM 80 CB TYR A 390 7.743 6.890 -3.481 1.00 0.00 C ATOM 81 CG TYR A 390 6.914 8.145 -3.290 1.00 0.00 C ATOM 82 CD1 TYR A 390 7.247 9.075 -2.315 1.00 0.00 C ATOM 83 CD2 TYR A 390 5.807 8.403 -4.090 1.00 0.00 C ATOM 84 CE1 TYR A 390 6.499 10.224 -2.138 1.00 0.00 C ATOM 85 CE2 TYR A 390 5.055 9.551 -3.921 1.00 0.00 C ATOM 86 CZ TYR A 390 5.404 10.458 -2.945 1.00 0.00 C ATOM 87 OH TYR A 390 4.655 11.602 -2.776 1.00 0.00 O ATOM 0 H TYR A 390 8.308 4.334 -3.696 1.00 0.00 H new ATOM 0 HA TYR A 390 7.684 6.185 -1.462 1.00 0.00 H new ATOM 0 HB2 TYR A 390 8.799 7.156 -3.435 1.00 0.00 H new ATOM 0 HB3 TYR A 390 7.557 6.495 -4.480 1.00 0.00 H new ATOM 0 HD1 TYR A 390 8.105 8.898 -1.684 1.00 0.00 H new ATOM 0 HD2 TYR A 390 5.529 7.695 -4.857 1.00 0.00 H new ATOM 0 HE1 TYR A 390 6.770 10.935 -1.372 1.00 0.00 H new ATOM 0 HE2 TYR A 390 4.198 9.736 -4.551 1.00 0.00 H new ATOM 0 HH TYR A 390 3.922 11.612 -3.426 1.00 0.00 H new ATOM 97 N PHE A 391 5.215 5.717 -1.524 1.00 0.00 N ATOM 98 CA PHE A 391 3.816 5.309 -1.499 1.00 0.00 C ATOM 99 C PHE A 391 2.982 6.221 -2.392 1.00 0.00 C ATOM 100 O PHE A 391 2.908 7.432 -2.163 1.00 0.00 O ATOM 101 CB PHE A 391 3.265 5.312 -0.074 1.00 0.00 C ATOM 102 CG PHE A 391 1.940 4.610 0.048 1.00 0.00 C ATOM 103 CD1 PHE A 391 1.888 3.248 0.289 1.00 0.00 C ATOM 104 CD2 PHE A 391 0.750 5.308 -0.084 1.00 0.00 C ATOM 105 CE1 PHE A 391 0.677 2.597 0.396 1.00 0.00 C ATOM 106 CE2 PHE A 391 -0.466 4.662 0.023 1.00 0.00 C ATOM 107 CZ PHE A 391 -0.502 3.304 0.263 1.00 0.00 C ATOM 0 H PHE A 391 5.508 6.295 -0.736 1.00 0.00 H new ATOM 0 HA PHE A 391 3.756 4.290 -1.881 1.00 0.00 H new ATOM 0 HB2 PHE A 391 3.986 4.833 0.589 1.00 0.00 H new ATOM 0 HB3 PHE A 391 3.156 6.342 0.265 1.00 0.00 H new ATOM 0 HD1 PHE A 391 2.806 2.689 0.394 1.00 0.00 H new ATOM 0 HD2 PHE A 391 0.774 6.371 -0.273 1.00 0.00 H new ATOM 0 HE1 PHE A 391 0.651 1.534 0.584 1.00 0.00 H new ATOM 0 HE2 PHE A 391 -1.386 5.218 -0.081 1.00 0.00 H new ATOM 0 HZ PHE A 391 -1.451 2.795 0.347 1.00 0.00 H new ATOM 117 N PRO A 392 2.349 5.641 -3.423 1.00 0.00 N ATOM 118 CA PRO A 392 1.576 6.383 -4.411 1.00 0.00 C ATOM 119 C PRO A 392 0.095 6.527 -4.047 1.00 0.00 C ATOM 120 O PRO A 392 -0.340 6.151 -2.956 1.00 0.00 O ATOM 121 CB PRO A 392 1.745 5.514 -5.654 1.00 0.00 C ATOM 122 CG PRO A 392 1.830 4.113 -5.135 1.00 0.00 C ATOM 123 CD PRO A 392 2.348 4.197 -3.718 1.00 0.00 C ATOM 0 HA PRO A 392 1.917 7.413 -4.517 1.00 0.00 H new ATOM 0 HB2 PRO A 392 0.903 5.632 -6.336 1.00 0.00 H new ATOM 0 HB3 PRO A 392 2.644 5.786 -6.207 1.00 0.00 H new ATOM 0 HG2 PRO A 392 0.852 3.633 -5.160 1.00 0.00 H new ATOM 0 HG3 PRO A 392 2.496 3.512 -5.754 1.00 0.00 H new ATOM 0 HD2 PRO A 392 1.708 3.649 -3.026 1.00 0.00 H new ATOM 0 HD3 PRO A 392 3.348 3.772 -3.633 1.00 0.00 H new ATOM 131 N TYR A 393 -0.668 7.078 -4.979 1.00 0.00 N ATOM 132 CA TYR A 393 -2.088 7.325 -4.774 1.00 0.00 C ATOM 133 C TYR A 393 -2.906 6.153 -5.295 1.00 0.00 C ATOM 134 O TYR A 393 -2.606 5.602 -6.356 1.00 0.00 O ATOM 135 CB TYR A 393 -2.487 8.617 -5.494 1.00 0.00 C ATOM 136 CG TYR A 393 -3.962 8.948 -5.416 1.00 0.00 C ATOM 137 CD1 TYR A 393 -4.528 9.416 -4.238 1.00 0.00 C ATOM 138 CD2 TYR A 393 -4.784 8.798 -6.526 1.00 0.00 C ATOM 139 CE1 TYR A 393 -5.873 9.725 -4.168 1.00 0.00 C ATOM 140 CE2 TYR A 393 -6.128 9.108 -6.465 1.00 0.00 C ATOM 141 CZ TYR A 393 -6.669 9.570 -5.286 1.00 0.00 C ATOM 142 OH TYR A 393 -8.008 9.885 -5.221 1.00 0.00 O ATOM 0 H TYR A 393 -0.323 7.365 -5.895 1.00 0.00 H new ATOM 0 HA TYR A 393 -2.286 7.433 -3.708 1.00 0.00 H new ATOM 0 HB2 TYR A 393 -1.919 9.445 -5.070 1.00 0.00 H new ATOM 0 HB3 TYR A 393 -2.200 8.537 -6.543 1.00 0.00 H new ATOM 0 HD1 TYR A 393 -3.908 9.541 -3.363 1.00 0.00 H new ATOM 0 HD2 TYR A 393 -4.365 8.433 -7.452 1.00 0.00 H new ATOM 0 HE1 TYR A 393 -6.300 10.086 -3.244 1.00 0.00 H new ATOM 0 HE2 TYR A 393 -6.752 8.989 -7.338 1.00 0.00 H new ATOM 0 HH TYR A 393 -8.425 9.721 -6.092 1.00 0.00 H new ATOM 152 N LEU A 394 -3.934 5.770 -4.544 1.00 0.00 N ATOM 153 CA LEU A 394 -4.801 4.675 -4.951 1.00 0.00 C ATOM 154 C LEU A 394 -5.841 5.179 -5.944 1.00 0.00 C ATOM 155 O LEU A 394 -5.570 5.301 -7.134 1.00 0.00 O ATOM 156 CB LEU A 394 -5.491 3.997 -3.741 1.00 0.00 C ATOM 157 CG LEU A 394 -4.564 3.350 -2.698 1.00 0.00 C ATOM 158 CD1 LEU A 394 -3.502 2.499 -3.375 1.00 0.00 C ATOM 159 CD2 LEU A 394 -3.925 4.396 -1.793 1.00 0.00 C ATOM 0 H LEU A 394 -4.185 6.201 -3.654 1.00 0.00 H new ATOM 0 HA LEU A 394 -4.178 3.919 -5.430 1.00 0.00 H new ATOM 0 HB2 LEU A 394 -6.105 4.743 -3.236 1.00 0.00 H new ATOM 0 HB3 LEU A 394 -6.167 3.230 -4.119 1.00 0.00 H new ATOM 0 HG LEU A 394 -5.175 2.701 -2.070 1.00 0.00 H new ATOM 0 HD11 LEU A 394 -2.858 2.051 -2.618 1.00 0.00 H new ATOM 0 HD12 LEU A 394 -3.982 1.711 -3.955 1.00 0.00 H new ATOM 0 HD13 LEU A 394 -2.903 3.124 -4.038 1.00 0.00 H new ATOM 0 HD21 LEU A 394 -3.277 3.903 -1.069 1.00 0.00 H new ATOM 0 HD22 LEU A 394 -3.336 5.088 -2.396 1.00 0.00 H new ATOM 0 HD23 LEU A 394 -4.705 4.947 -1.267 1.00 0.00 H new ATOM 171 N GLU A 395 -7.013 5.497 -5.419 1.00 0.00 N ATOM 172 CA GLU A 395 -8.120 6.076 -6.190 1.00 0.00 C ATOM 173 C GLU A 395 -9.340 6.161 -5.294 1.00 0.00 C ATOM 174 O GLU A 395 -10.156 7.074 -5.399 1.00 0.00 O ATOM 175 CB GLU A 395 -8.447 5.255 -7.453 1.00 0.00 C ATOM 176 CG GLU A 395 -8.712 3.779 -7.202 1.00 0.00 C ATOM 177 CD GLU A 395 -9.072 3.034 -8.471 1.00 0.00 C ATOM 178 OE1 GLU A 395 -10.253 3.084 -8.880 1.00 0.00 O ATOM 179 OE2 GLU A 395 -8.177 2.395 -9.065 1.00 0.00 O ATOM 0 H GLU A 395 -7.233 5.361 -4.432 1.00 0.00 H new ATOM 0 HA GLU A 395 -7.821 7.068 -6.528 1.00 0.00 H new ATOM 0 HB2 GLU A 395 -9.322 5.690 -7.936 1.00 0.00 H new ATOM 0 HB3 GLU A 395 -7.617 5.347 -8.154 1.00 0.00 H new ATOM 0 HG2 GLU A 395 -7.828 3.325 -6.755 1.00 0.00 H new ATOM 0 HG3 GLU A 395 -9.522 3.676 -6.481 1.00 0.00 H new ATOM 186 N ASN A 396 -9.433 5.187 -4.409 1.00 0.00 N ATOM 187 CA ASN A 396 -10.479 5.120 -3.409 1.00 0.00 C ATOM 188 C ASN A 396 -9.903 4.521 -2.136 1.00 0.00 C ATOM 189 O ASN A 396 -10.546 3.737 -1.435 1.00 0.00 O ATOM 190 CB ASN A 396 -11.658 4.290 -3.932 1.00 0.00 C ATOM 191 CG ASN A 396 -11.212 3.048 -4.680 1.00 0.00 C ATOM 192 OD1 ASN A 396 -10.203 2.427 -4.347 1.00 0.00 O ATOM 193 ND2 ASN A 396 -11.949 2.697 -5.716 1.00 0.00 N ATOM 0 H ASN A 396 -8.774 4.410 -4.365 1.00 0.00 H new ATOM 0 HA ASN A 396 -10.853 6.120 -3.191 1.00 0.00 H new ATOM 0 HB2 ASN A 396 -12.291 3.997 -3.094 1.00 0.00 H new ATOM 0 HB3 ASN A 396 -12.268 4.907 -4.592 1.00 0.00 H new ATOM 0 HD21 ASN A 396 -11.690 1.884 -6.274 1.00 0.00 H new ATOM 0 HD22 ASN A 396 -12.778 3.239 -5.959 1.00 0.00 H new ATOM 200 N GLY A 397 -8.670 4.911 -1.847 1.00 0.00 N ATOM 201 CA GLY A 397 -7.975 4.408 -0.686 1.00 0.00 C ATOM 202 C GLY A 397 -7.428 5.531 0.161 1.00 0.00 C ATOM 203 O GLY A 397 -7.053 6.578 -0.371 1.00 0.00 O ATOM 0 H GLY A 397 -8.135 5.576 -2.406 1.00 0.00 H new ATOM 0 HA2 GLY A 397 -8.654 3.799 -0.090 1.00 0.00 H new ATOM 0 HA3 GLY A 397 -7.159 3.759 -1.002 1.00 0.00 H new ATOM 207 N TYR A 398 -7.381 5.325 1.471 1.00 0.00 N ATOM 208 CA TYR A 398 -6.925 6.357 2.388 1.00 0.00 C ATOM 209 C TYR A 398 -5.425 6.572 2.227 1.00 0.00 C ATOM 210 O TYR A 398 -4.614 5.811 2.758 1.00 0.00 O ATOM 211 CB TYR A 398 -7.255 5.979 3.835 1.00 0.00 C ATOM 212 CG TYR A 398 -8.734 5.804 4.110 1.00 0.00 C ATOM 213 CD1 TYR A 398 -9.562 6.903 4.312 1.00 0.00 C ATOM 214 CD2 TYR A 398 -9.301 4.538 4.174 1.00 0.00 C ATOM 215 CE1 TYR A 398 -10.911 6.740 4.567 1.00 0.00 C ATOM 216 CE2 TYR A 398 -10.645 4.369 4.428 1.00 0.00 C ATOM 217 CZ TYR A 398 -11.446 5.469 4.624 1.00 0.00 C ATOM 218 OH TYR A 398 -12.787 5.298 4.874 1.00 0.00 O ATOM 0 H TYR A 398 -7.654 4.451 1.921 1.00 0.00 H new ATOM 0 HA TYR A 398 -7.444 7.286 2.151 1.00 0.00 H new ATOM 0 HB2 TYR A 398 -6.739 5.052 4.083 1.00 0.00 H new ATOM 0 HB3 TYR A 398 -6.862 6.750 4.498 1.00 0.00 H new ATOM 0 HD1 TYR A 398 -9.145 7.898 4.269 1.00 0.00 H new ATOM 0 HD2 TYR A 398 -8.677 3.670 4.022 1.00 0.00 H new ATOM 0 HE1 TYR A 398 -11.543 7.602 4.721 1.00 0.00 H new ATOM 0 HE2 TYR A 398 -11.067 3.376 4.473 1.00 0.00 H new ATOM 0 HH TYR A 398 -13.285 6.067 4.527 1.00 0.00 H new ATOM 228 N ASN A 399 -5.066 7.616 1.493 1.00 0.00 N ATOM 229 CA ASN A 399 -3.670 7.899 1.171 1.00 0.00 C ATOM 230 C ASN A 399 -2.942 8.565 2.332 1.00 0.00 C ATOM 231 O ASN A 399 -2.279 9.583 2.160 1.00 0.00 O ATOM 232 CB ASN A 399 -3.573 8.775 -0.083 1.00 0.00 C ATOM 233 CG ASN A 399 -4.556 9.929 -0.079 1.00 0.00 C ATOM 234 OD1 ASN A 399 -4.268 11.010 0.427 1.00 0.00 O ATOM 235 ND2 ASN A 399 -5.730 9.702 -0.643 1.00 0.00 N ATOM 0 H ASN A 399 -5.728 8.288 1.105 1.00 0.00 H new ATOM 0 HA ASN A 399 -3.183 6.943 0.978 1.00 0.00 H new ATOM 0 HB2 ASN A 399 -2.560 9.169 -0.167 1.00 0.00 H new ATOM 0 HB3 ASN A 399 -3.749 8.158 -0.964 1.00 0.00 H new ATOM 0 HD21 ASN A 399 -6.435 10.439 -0.668 1.00 0.00 H new ATOM 0 HD22 ASN A 399 -5.931 8.790 -1.053 1.00 0.00 H new ATOM 242 N GLN A 400 -3.040 7.963 3.508 1.00 0.00 N ATOM 243 CA GLN A 400 -2.358 8.471 4.687 1.00 0.00 C ATOM 244 C GLN A 400 -0.857 8.240 4.566 1.00 0.00 C ATOM 245 O GLN A 400 -0.054 8.948 5.168 1.00 0.00 O ATOM 246 CB GLN A 400 -2.894 7.778 5.937 1.00 0.00 C ATOM 247 CG GLN A 400 -4.371 8.022 6.187 1.00 0.00 C ATOM 248 CD GLN A 400 -4.863 7.322 7.434 1.00 0.00 C ATOM 249 OE1 GLN A 400 -4.816 7.877 8.530 1.00 0.00 O ATOM 250 NE2 GLN A 400 -5.329 6.094 7.279 1.00 0.00 N ATOM 0 H GLN A 400 -3.588 7.118 3.670 1.00 0.00 H new ATOM 0 HA GLN A 400 -2.543 9.542 4.767 1.00 0.00 H new ATOM 0 HB2 GLN A 400 -2.722 6.705 5.848 1.00 0.00 H new ATOM 0 HB3 GLN A 400 -2.327 8.121 6.803 1.00 0.00 H new ATOM 0 HG2 GLN A 400 -4.550 9.093 6.279 1.00 0.00 H new ATOM 0 HG3 GLN A 400 -4.945 7.676 5.328 1.00 0.00 H new ATOM 0 HE21 GLN A 400 -5.351 5.670 6.352 1.00 0.00 H new ATOM 0 HE22 GLN A 400 -5.667 5.571 8.087 1.00 0.00 H new ATOM 259 N ASN A 401 -0.491 7.247 3.768 1.00 0.00 N ATOM 260 CA ASN A 401 0.910 6.894 3.576 1.00 0.00 C ATOM 261 C ASN A 401 1.480 7.597 2.353 1.00 0.00 C ATOM 262 O ASN A 401 2.688 7.568 2.120 1.00 0.00 O ATOM 263 CB ASN A 401 1.067 5.380 3.408 1.00 0.00 C ATOM 264 CG ASN A 401 0.508 4.588 4.572 1.00 0.00 C ATOM 265 OD1 ASN A 401 0.547 5.026 5.720 1.00 0.00 O ATOM 266 ND2 ASN A 401 -0.022 3.414 4.278 1.00 0.00 N ATOM 0 H ASN A 401 -1.146 6.670 3.241 1.00 0.00 H new ATOM 0 HA ASN A 401 1.458 7.216 4.461 1.00 0.00 H new ATOM 0 HB2 ASN A 401 0.566 5.069 2.491 1.00 0.00 H new ATOM 0 HB3 ASN A 401 2.124 5.142 3.290 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -0.419 2.834 5.017 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -0.034 3.088 3.312 1.00 0.00 H new ATOM 273 N TYR A 402 0.606 8.225 1.573 1.00 0.00 N ATOM 274 CA TYR A 402 1.015 8.876 0.334 1.00 0.00 C ATOM 275 C TYR A 402 1.967 10.027 0.619 1.00 0.00 C ATOM 276 O TYR A 402 1.599 11.025 1.238 1.00 0.00 O ATOM 277 CB TYR A 402 -0.212 9.360 -0.444 1.00 0.00 C ATOM 278 CG TYR A 402 0.106 10.179 -1.677 1.00 0.00 C ATOM 279 CD1 TYR A 402 0.565 9.572 -2.835 1.00 0.00 C ATOM 280 CD2 TYR A 402 -0.066 11.559 -1.685 1.00 0.00 C ATOM 281 CE1 TYR A 402 0.848 10.310 -3.967 1.00 0.00 C ATOM 282 CE2 TYR A 402 0.211 12.306 -2.814 1.00 0.00 C ATOM 283 CZ TYR A 402 0.669 11.677 -3.950 1.00 0.00 C ATOM 284 OH TYR A 402 0.938 12.411 -5.081 1.00 0.00 O ATOM 0 H TYR A 402 -0.391 8.297 1.777 1.00 0.00 H new ATOM 0 HA TYR A 402 1.544 8.148 -0.281 1.00 0.00 H new ATOM 0 HB2 TYR A 402 -0.802 8.493 -0.742 1.00 0.00 H new ATOM 0 HB3 TYR A 402 -0.836 9.957 0.222 1.00 0.00 H new ATOM 0 HD1 TYR A 402 0.704 8.501 -2.852 1.00 0.00 H new ATOM 0 HD2 TYR A 402 -0.422 12.055 -0.794 1.00 0.00 H new ATOM 0 HE1 TYR A 402 1.207 9.820 -4.860 1.00 0.00 H new ATOM 0 HE2 TYR A 402 0.069 13.377 -2.805 1.00 0.00 H new ATOM 0 HH TYR A 402 0.760 13.359 -4.906 1.00 0.00 H new ATOM 294 N GLY A 403 3.196 9.866 0.165 1.00 0.00 N ATOM 295 CA GLY A 403 4.229 10.842 0.435 1.00 0.00 C ATOM 296 C GLY A 403 5.373 10.246 1.228 1.00 0.00 C ATOM 297 O GLY A 403 6.481 10.786 1.242 1.00 0.00 O ATOM 0 H GLY A 403 3.501 9.068 -0.392 1.00 0.00 H new ATOM 0 HA2 GLY A 403 4.608 11.240 -0.506 1.00 0.00 H new ATOM 0 HA3 GLY A 403 3.802 11.680 0.986 1.00 0.00 H new ATOM 301 N ARG A 404 5.104 9.118 1.875 1.00 0.00 N ATOM 302 CA ARG A 404 6.102 8.433 2.685 1.00 0.00 C ATOM 303 C ARG A 404 7.006 7.560 1.829 1.00 0.00 C ATOM 304 O ARG A 404 6.615 7.098 0.752 1.00 0.00 O ATOM 305 CB ARG A 404 5.425 7.573 3.753 1.00 0.00 C ATOM 306 CG ARG A 404 4.726 8.377 4.834 1.00 0.00 C ATOM 307 CD ARG A 404 4.037 7.477 5.849 1.00 0.00 C ATOM 308 NE ARG A 404 3.387 8.246 6.910 1.00 0.00 N ATOM 309 CZ ARG A 404 2.657 7.709 7.888 1.00 0.00 C ATOM 310 NH1 ARG A 404 2.482 6.396 7.953 1.00 0.00 N ATOM 311 NH2 ARG A 404 2.098 8.482 8.810 1.00 0.00 N ATOM 0 H ARG A 404 4.195 8.656 1.853 1.00 0.00 H new ATOM 0 HA ARG A 404 6.713 9.196 3.167 1.00 0.00 H new ATOM 0 HB2 ARG A 404 4.698 6.919 3.272 1.00 0.00 H new ATOM 0 HB3 ARG A 404 6.173 6.931 4.217 1.00 0.00 H new ATOM 0 HG2 ARG A 404 5.452 9.010 5.343 1.00 0.00 H new ATOM 0 HG3 ARG A 404 3.991 9.039 4.377 1.00 0.00 H new ATOM 0 HD2 ARG A 404 3.295 6.860 5.342 1.00 0.00 H new ATOM 0 HD3 ARG A 404 4.769 6.799 6.289 1.00 0.00 H new ATOM 0 HE ARG A 404 3.500 9.260 6.901 1.00 0.00 H new ATOM 0 HH11 ARG A 404 2.907 5.789 7.252 1.00 0.00 H new ATOM 0 HH12 ARG A 404 1.922 5.993 8.704 1.00 0.00 H new ATOM 0 HH21 ARG A 404 2.226 9.493 8.773 1.00 0.00 H new ATOM 0 HH22 ARG A 404 1.541 8.065 9.556 1.00 0.00 H new ATOM 325 N LYS A 405 8.218 7.345 2.321 1.00 0.00 N ATOM 326 CA LYS A 405 9.186 6.494 1.660 1.00 0.00 C ATOM 327 C LYS A 405 9.717 5.450 2.633 1.00 0.00 C ATOM 328 O LYS A 405 10.060 5.765 3.773 1.00 0.00 O ATOM 329 CB LYS A 405 10.327 7.339 1.105 1.00 0.00 C ATOM 330 CG LYS A 405 9.976 8.032 -0.200 1.00 0.00 C ATOM 331 CD LYS A 405 11.007 9.076 -0.593 1.00 0.00 C ATOM 332 CE LYS A 405 10.991 10.266 0.356 1.00 0.00 C ATOM 333 NZ LYS A 405 12.021 11.276 0.001 1.00 0.00 N ATOM 0 H LYS A 405 8.554 7.758 3.191 1.00 0.00 H new ATOM 0 HA LYS A 405 8.700 5.978 0.832 1.00 0.00 H new ATOM 0 HB2 LYS A 405 10.608 8.090 1.844 1.00 0.00 H new ATOM 0 HB3 LYS A 405 11.199 6.704 0.949 1.00 0.00 H new ATOM 0 HG2 LYS A 405 9.894 7.289 -0.993 1.00 0.00 H new ATOM 0 HG3 LYS A 405 8.999 8.506 -0.106 1.00 0.00 H new ATOM 0 HD2 LYS A 405 11.999 8.625 -0.595 1.00 0.00 H new ATOM 0 HD3 LYS A 405 10.810 9.418 -1.609 1.00 0.00 H new ATOM 0 HE2 LYS A 405 10.006 10.731 0.337 1.00 0.00 H new ATOM 0 HE3 LYS A 405 11.160 9.919 1.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 405 11.975 12.069 0.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 405 12.964 10.840 0.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 405 11.845 11.627 -0.962 1.00 0.00 H new ATOM 347 N PHE A 406 9.778 4.212 2.181 1.00 0.00 N ATOM 348 CA PHE A 406 10.183 3.103 3.037 1.00 0.00 C ATOM 349 C PHE A 406 11.340 2.338 2.413 1.00 0.00 C ATOM 350 O PHE A 406 11.494 2.311 1.196 1.00 0.00 O ATOM 351 CB PHE A 406 9.004 2.151 3.272 1.00 0.00 C ATOM 352 CG PHE A 406 7.838 2.788 3.979 1.00 0.00 C ATOM 353 CD1 PHE A 406 7.756 2.774 5.363 1.00 0.00 C ATOM 354 CD2 PHE A 406 6.823 3.398 3.259 1.00 0.00 C ATOM 355 CE1 PHE A 406 6.682 3.356 6.012 1.00 0.00 C ATOM 356 CE2 PHE A 406 5.748 3.979 3.902 1.00 0.00 C ATOM 357 CZ PHE A 406 5.679 3.960 5.281 1.00 0.00 C ATOM 0 H PHE A 406 9.552 3.944 1.223 1.00 0.00 H new ATOM 0 HA PHE A 406 10.507 3.515 3.993 1.00 0.00 H new ATOM 0 HB2 PHE A 406 8.666 1.763 2.311 1.00 0.00 H new ATOM 0 HB3 PHE A 406 9.349 1.298 3.857 1.00 0.00 H new ATOM 0 HD1 PHE A 406 8.539 2.304 5.940 1.00 0.00 H new ATOM 0 HD2 PHE A 406 6.874 3.419 2.180 1.00 0.00 H new ATOM 0 HE1 PHE A 406 6.628 3.338 7.091 1.00 0.00 H new ATOM 0 HE2 PHE A 406 4.963 4.447 3.327 1.00 0.00 H new ATOM 0 HZ PHE A 406 4.841 4.417 5.787 1.00 0.00 H new ATOM 367 N VAL A 407 12.158 1.726 3.252 1.00 0.00 N ATOM 368 CA VAL A 407 13.234 0.879 2.769 1.00 0.00 C ATOM 369 C VAL A 407 12.683 -0.508 2.466 1.00 0.00 C ATOM 370 O VAL A 407 11.722 -0.948 3.097 1.00 0.00 O ATOM 371 CB VAL A 407 14.394 0.779 3.786 1.00 0.00 C ATOM 372 CG1 VAL A 407 15.024 2.144 4.005 1.00 0.00 C ATOM 373 CG2 VAL A 407 13.921 0.190 5.106 1.00 0.00 C ATOM 0 H VAL A 407 12.098 1.800 4.268 1.00 0.00 H new ATOM 0 HA VAL A 407 13.638 1.328 1.862 1.00 0.00 H new ATOM 0 HB VAL A 407 15.147 0.108 3.373 1.00 0.00 H new ATOM 0 HG11 VAL A 407 15.839 2.057 4.723 1.00 0.00 H new ATOM 0 HG12 VAL A 407 15.413 2.521 3.059 1.00 0.00 H new ATOM 0 HG13 VAL A 407 14.273 2.834 4.390 1.00 0.00 H new ATOM 0 HG21 VAL A 407 14.760 0.133 5.800 1.00 0.00 H new ATOM 0 HG22 VAL A 407 13.142 0.824 5.529 1.00 0.00 H new ATOM 0 HG23 VAL A 407 13.522 -0.810 4.936 1.00 0.00 H new ATOM 383 N GLN A 408 13.260 -1.173 1.477 1.00 0.00 N ATOM 384 CA GLN A 408 12.785 -2.488 1.066 1.00 0.00 C ATOM 385 C GLN A 408 12.858 -3.470 2.230 1.00 0.00 C ATOM 386 O GLN A 408 13.814 -3.458 3.006 1.00 0.00 O ATOM 387 CB GLN A 408 13.629 -3.026 -0.093 1.00 0.00 C ATOM 388 CG GLN A 408 12.836 -3.795 -1.120 1.00 0.00 C ATOM 389 CD GLN A 408 13.686 -4.660 -2.012 1.00 0.00 C ATOM 390 OE1 GLN A 408 14.123 -4.080 -3.107 1.00 0.00 O flip ATOM 391 NE2 GLN A 408 13.941 -5.824 -1.722 1.00 0.00 N flip ATOM 0 H GLN A 408 14.057 -0.825 0.944 1.00 0.00 H new ATOM 0 HA GLN A 408 11.749 -2.384 0.743 1.00 0.00 H new ATOM 0 HB2 GLN A 408 14.128 -2.191 -0.584 1.00 0.00 H new ATOM 0 HB3 GLN A 408 14.409 -3.673 0.308 1.00 0.00 H new ATOM 0 HG2 GLN A 408 12.106 -4.422 -0.608 1.00 0.00 H new ATOM 0 HG3 GLN A 408 12.276 -3.091 -1.736 1.00 0.00 H new ATOM 0 HE21 GLN A 408 13.576 -6.226 -0.859 1.00 0.00 H new ATOM 0 HE22 GLN A 408 14.518 -6.390 -2.344 1.00 0.00 H new ATOM 400 N GLY A 409 11.851 -4.321 2.337 1.00 0.00 N ATOM 401 CA GLY A 409 11.789 -5.265 3.434 1.00 0.00 C ATOM 402 C GLY A 409 10.899 -4.759 4.543 1.00 0.00 C ATOM 403 O GLY A 409 10.814 -5.358 5.613 1.00 0.00 O ATOM 0 H GLY A 409 11.072 -4.376 1.681 1.00 0.00 H new ATOM 0 HA2 GLY A 409 11.414 -6.222 3.072 1.00 0.00 H new ATOM 0 HA3 GLY A 409 12.792 -5.442 3.822 1.00 0.00 H new ATOM 407 N LYS A 410 10.234 -3.647 4.271 1.00 0.00 N ATOM 408 CA LYS A 410 9.351 -3.019 5.229 1.00 0.00 C ATOM 409 C LYS A 410 7.903 -3.302 4.879 1.00 0.00 C ATOM 410 O LYS A 410 7.606 -3.782 3.788 1.00 0.00 O ATOM 411 CB LYS A 410 9.585 -1.513 5.236 1.00 0.00 C ATOM 412 CG LYS A 410 10.742 -1.065 6.112 1.00 0.00 C ATOM 413 CD LYS A 410 10.609 -1.590 7.530 1.00 0.00 C ATOM 414 CE LYS A 410 11.660 -0.990 8.447 1.00 0.00 C ATOM 415 NZ LYS A 410 11.449 0.466 8.654 1.00 0.00 N ATOM 0 H LYS A 410 10.294 -3.158 3.378 1.00 0.00 H new ATOM 0 HA LYS A 410 9.563 -3.427 6.217 1.00 0.00 H new ATOM 0 HB2 LYS A 410 9.768 -1.181 4.214 1.00 0.00 H new ATOM 0 HB3 LYS A 410 8.675 -1.017 5.574 1.00 0.00 H new ATOM 0 HG2 LYS A 410 11.681 -1.414 5.681 1.00 0.00 H new ATOM 0 HG3 LYS A 410 10.785 0.024 6.130 1.00 0.00 H new ATOM 0 HD2 LYS A 410 9.615 -1.358 7.913 1.00 0.00 H new ATOM 0 HD3 LYS A 410 10.704 -2.676 7.527 1.00 0.00 H new ATOM 0 HE2 LYS A 410 11.636 -1.501 9.410 1.00 0.00 H new ATOM 0 HE3 LYS A 410 12.650 -1.157 8.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 410 12.000 0.783 9.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 410 11.760 0.985 7.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 410 10.439 0.650 8.822 1.00 0.00 H new ATOM 429 N SER A 411 7.008 -3.006 5.798 1.00 0.00 N ATOM 430 CA SER A 411 5.592 -3.167 5.548 1.00 0.00 C ATOM 431 C SER A 411 4.824 -1.984 6.112 1.00 0.00 C ATOM 432 O SER A 411 5.323 -1.258 6.975 1.00 0.00 O ATOM 433 CB SER A 411 5.095 -4.476 6.161 1.00 0.00 C ATOM 434 OG SER A 411 3.719 -4.691 5.908 1.00 0.00 O ATOM 0 H SER A 411 7.237 -2.652 6.727 1.00 0.00 H new ATOM 0 HA SER A 411 5.424 -3.205 4.472 1.00 0.00 H new ATOM 0 HB2 SER A 411 5.672 -5.308 5.757 1.00 0.00 H new ATOM 0 HB3 SER A 411 5.268 -4.461 7.237 1.00 0.00 H new ATOM 0 HG SER A 411 3.440 -5.538 6.314 1.00 0.00 H new ATOM 440 N ILE A 412 3.618 -1.797 5.617 1.00 0.00 N ATOM 441 CA ILE A 412 2.768 -0.694 6.044 1.00 0.00 C ATOM 442 C ILE A 412 1.315 -0.998 5.718 1.00 0.00 C ATOM 443 O ILE A 412 1.001 -1.567 4.669 1.00 0.00 O ATOM 444 CB ILE A 412 3.198 0.646 5.391 1.00 0.00 C ATOM 445 CG1 ILE A 412 2.393 1.818 5.965 1.00 0.00 C ATOM 446 CG2 ILE A 412 3.045 0.592 3.877 1.00 0.00 C ATOM 447 CD1 ILE A 412 2.627 2.057 7.443 1.00 0.00 C ATOM 0 H ILE A 412 3.197 -2.400 4.910 1.00 0.00 H new ATOM 0 HA ILE A 412 2.879 -0.585 7.123 1.00 0.00 H new ATOM 0 HB ILE A 412 4.251 0.803 5.623 1.00 0.00 H new ATOM 0 HG12 ILE A 412 2.647 2.724 5.416 1.00 0.00 H new ATOM 0 HG13 ILE A 412 1.332 1.632 5.800 1.00 0.00 H new ATOM 0 HG21 ILE A 412 3.354 1.544 3.446 1.00 0.00 H new ATOM 0 HG22 ILE A 412 3.669 -0.207 3.476 1.00 0.00 H new ATOM 0 HG23 ILE A 412 2.003 0.400 3.623 1.00 0.00 H new ATOM 0 HD11 ILE A 412 2.023 2.901 7.775 1.00 0.00 H new ATOM 0 HD12 ILE A 412 2.345 1.166 8.005 1.00 0.00 H new ATOM 0 HD13 ILE A 412 3.681 2.275 7.614 1.00 0.00 H new ATOM 459 N ASP A 413 0.446 -0.649 6.647 1.00 0.00 N ATOM 460 CA ASP A 413 -0.978 -0.892 6.507 1.00 0.00 C ATOM 461 C ASP A 413 -1.592 0.108 5.544 1.00 0.00 C ATOM 462 O ASP A 413 -1.306 1.308 5.606 1.00 0.00 O ATOM 463 CB ASP A 413 -1.653 -0.792 7.869 1.00 0.00 C ATOM 464 CG ASP A 413 -3.145 -1.075 7.818 1.00 0.00 C ATOM 465 OD1 ASP A 413 -3.929 -0.131 7.574 1.00 0.00 O ATOM 466 OD2 ASP A 413 -3.539 -2.238 8.047 1.00 0.00 O ATOM 0 H ASP A 413 0.706 -0.189 7.520 1.00 0.00 H new ATOM 0 HA ASP A 413 -1.128 -1.895 6.107 1.00 0.00 H new ATOM 0 HB2 ASP A 413 -1.179 -1.494 8.555 1.00 0.00 H new ATOM 0 HB3 ASP A 413 -1.493 0.207 8.275 1.00 0.00 H new ATOM 471 N VAL A 414 -2.433 -0.390 4.664 1.00 0.00 N ATOM 472 CA VAL A 414 -3.058 0.432 3.644 1.00 0.00 C ATOM 473 C VAL A 414 -4.568 0.265 3.684 1.00 0.00 C ATOM 474 O VAL A 414 -5.110 -0.729 3.200 1.00 0.00 O ATOM 475 CB VAL A 414 -2.541 0.087 2.233 1.00 0.00 C ATOM 476 CG1 VAL A 414 -3.175 0.994 1.189 1.00 0.00 C ATOM 477 CG2 VAL A 414 -1.023 0.185 2.181 1.00 0.00 C ATOM 0 H VAL A 414 -2.704 -1.373 4.633 1.00 0.00 H new ATOM 0 HA VAL A 414 -2.796 1.468 3.858 1.00 0.00 H new ATOM 0 HB VAL A 414 -2.826 -0.940 2.007 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -2.796 0.733 0.201 1.00 0.00 H new ATOM 0 HG12 VAL A 414 -4.258 0.868 1.207 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -2.927 2.032 1.410 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -0.677 -0.062 1.177 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -0.715 1.200 2.432 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -0.589 -0.513 2.897 1.00 0.00 H new ATOM 487 N ALA A 415 -5.238 1.231 4.284 1.00 0.00 N ATOM 488 CA ALA A 415 -6.681 1.195 4.402 1.00 0.00 C ATOM 489 C ALA A 415 -7.349 1.761 3.157 1.00 0.00 C ATOM 490 O ALA A 415 -7.101 2.904 2.769 1.00 0.00 O ATOM 491 CB ALA A 415 -7.121 1.974 5.632 1.00 0.00 C ATOM 0 H ALA A 415 -4.802 2.054 4.699 1.00 0.00 H new ATOM 0 HA ALA A 415 -6.988 0.154 4.506 1.00 0.00 H new ATOM 0 HB1 ALA A 415 -8.207 1.942 5.713 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -6.677 1.529 6.523 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -6.794 3.010 5.543 1.00 0.00 H new ATOM 497 N CYS A 416 -8.181 0.958 2.523 1.00 0.00 N ATOM 498 CA CYS A 416 -8.986 1.425 1.416 1.00 0.00 C ATOM 499 C CYS A 416 -10.380 1.762 1.922 1.00 0.00 C ATOM 500 O CYS A 416 -10.750 1.362 3.027 1.00 0.00 O ATOM 501 CB CYS A 416 -9.042 0.358 0.325 1.00 0.00 C ATOM 502 SG CYS A 416 -7.410 -0.041 -0.379 1.00 0.00 S ATOM 0 H CYS A 416 -8.316 -0.025 2.759 1.00 0.00 H new ATOM 0 HA CYS A 416 -8.541 2.322 0.986 1.00 0.00 H new ATOM 0 HB2 CYS A 416 -9.484 -0.549 0.737 1.00 0.00 H new ATOM 0 HB3 CYS A 416 -9.701 0.699 -0.474 1.00 0.00 H new ATOM 507 N HIS A 417 -11.139 2.516 1.141 1.00 0.00 N ATOM 508 CA HIS A 417 -12.490 2.890 1.554 1.00 0.00 C ATOM 509 C HIS A 417 -13.390 1.660 1.594 1.00 0.00 C ATOM 510 O HIS A 417 -13.123 0.666 0.920 1.00 0.00 O ATOM 511 CB HIS A 417 -13.099 3.953 0.628 1.00 0.00 C ATOM 512 CG HIS A 417 -12.479 5.314 0.757 1.00 0.00 C ATOM 513 ND1 HIS A 417 -13.218 6.476 0.759 1.00 0.00 N ATOM 514 CD2 HIS A 417 -11.187 5.698 0.882 1.00 0.00 C ATOM 515 CE1 HIS A 417 -12.410 7.511 0.879 1.00 0.00 C ATOM 516 NE2 HIS A 417 -11.173 7.066 0.957 1.00 0.00 N ATOM 0 H HIS A 417 -10.852 2.878 0.232 1.00 0.00 H new ATOM 0 HA HIS A 417 -12.417 3.321 2.553 1.00 0.00 H new ATOM 0 HB2 HIS A 417 -13.000 3.618 -0.405 1.00 0.00 H new ATOM 0 HB3 HIS A 417 -14.166 4.032 0.837 1.00 0.00 H new ATOM 0 HD2 HIS A 417 -10.326 5.046 0.916 1.00 0.00 H new ATOM 0 HE1 HIS A 417 -12.711 8.548 0.908 1.00 0.00 H new ATOM 0 HE2 HIS A 417 -10.340 7.646 1.057 1.00 0.00 H new ATOM 525 N PRO A 418 -14.462 1.730 2.397 1.00 0.00 N ATOM 526 CA PRO A 418 -15.417 0.631 2.580 1.00 0.00 C ATOM 527 C PRO A 418 -15.944 0.097 1.254 1.00 0.00 C ATOM 528 O PRO A 418 -16.522 0.842 0.456 1.00 0.00 O ATOM 529 CB PRO A 418 -16.543 1.278 3.387 1.00 0.00 C ATOM 530 CG PRO A 418 -15.885 2.388 4.120 1.00 0.00 C ATOM 531 CD PRO A 418 -14.838 2.911 3.186 1.00 0.00 C ATOM 0 HA PRO A 418 -14.964 -0.231 3.070 1.00 0.00 H new ATOM 0 HB2 PRO A 418 -17.336 1.647 2.737 1.00 0.00 H new ATOM 0 HB3 PRO A 418 -17.000 0.565 4.073 1.00 0.00 H new ATOM 0 HG2 PRO A 418 -16.602 3.166 4.383 1.00 0.00 H new ATOM 0 HG3 PRO A 418 -15.441 2.036 5.051 1.00 0.00 H new ATOM 0 HD2 PRO A 418 -15.227 3.709 2.554 1.00 0.00 H new ATOM 0 HD3 PRO A 418 -13.985 3.320 3.728 1.00 0.00 H new ATOM 539 N GLY A 419 -15.741 -1.193 1.031 1.00 0.00 N ATOM 540 CA GLY A 419 -16.110 -1.801 -0.230 1.00 0.00 C ATOM 541 C GLY A 419 -14.889 -2.192 -1.035 1.00 0.00 C ATOM 542 O GLY A 419 -14.981 -2.959 -1.996 1.00 0.00 O ATOM 0 H GLY A 419 -15.324 -1.833 1.707 1.00 0.00 H new ATOM 0 HA2 GLY A 419 -16.723 -2.683 -0.044 1.00 0.00 H new ATOM 0 HA3 GLY A 419 -16.720 -1.105 -0.806 1.00 0.00 H new ATOM 546 N TYR A 420 -13.742 -1.663 -0.634 1.00 0.00 N ATOM 547 CA TYR A 420 -12.485 -1.952 -1.300 1.00 0.00 C ATOM 548 C TYR A 420 -11.492 -2.547 -0.316 1.00 0.00 C ATOM 549 O TYR A 420 -11.463 -2.168 0.855 1.00 0.00 O ATOM 550 CB TYR A 420 -11.906 -0.681 -1.925 1.00 0.00 C ATOM 551 CG TYR A 420 -12.848 -0.017 -2.903 1.00 0.00 C ATOM 552 CD1 TYR A 420 -13.118 -0.598 -4.138 1.00 0.00 C ATOM 553 CD2 TYR A 420 -13.480 1.178 -2.586 1.00 0.00 C ATOM 554 CE1 TYR A 420 -13.990 -0.002 -5.029 1.00 0.00 C ATOM 555 CE2 TYR A 420 -14.353 1.778 -3.470 1.00 0.00 C ATOM 556 CZ TYR A 420 -14.604 1.185 -4.690 1.00 0.00 C ATOM 557 OH TYR A 420 -15.474 1.785 -5.573 1.00 0.00 O ATOM 0 H TYR A 420 -13.659 -1.025 0.158 1.00 0.00 H new ATOM 0 HA TYR A 420 -12.673 -2.676 -2.092 1.00 0.00 H new ATOM 0 HB2 TYR A 420 -11.658 0.025 -1.133 1.00 0.00 H new ATOM 0 HB3 TYR A 420 -10.975 -0.927 -2.436 1.00 0.00 H new ATOM 0 HD1 TYR A 420 -12.639 -1.529 -4.404 1.00 0.00 H new ATOM 0 HD2 TYR A 420 -13.285 1.645 -1.632 1.00 0.00 H new ATOM 0 HE1 TYR A 420 -14.189 -0.463 -5.985 1.00 0.00 H new ATOM 0 HE2 TYR A 420 -14.837 2.707 -3.208 1.00 0.00 H new ATOM 0 HH TYR A 420 -15.820 2.613 -5.179 1.00 0.00 H new ATOM 567 N ALA A 421 -10.688 -3.478 -0.797 1.00 0.00 N ATOM 568 CA ALA A 421 -9.707 -4.153 0.038 1.00 0.00 C ATOM 569 C ALA A 421 -8.433 -4.408 -0.753 1.00 0.00 C ATOM 570 O ALA A 421 -8.352 -4.074 -1.933 1.00 0.00 O ATOM 571 CB ALA A 421 -10.278 -5.463 0.560 1.00 0.00 C ATOM 0 H ALA A 421 -10.695 -3.787 -1.769 1.00 0.00 H new ATOM 0 HA ALA A 421 -9.467 -3.514 0.888 1.00 0.00 H new ATOM 0 HB1 ALA A 421 -9.536 -5.961 1.184 1.00 0.00 H new ATOM 0 HB2 ALA A 421 -11.172 -5.261 1.151 1.00 0.00 H new ATOM 0 HB3 ALA A 421 -10.537 -6.108 -0.280 1.00 0.00 H new ATOM 577 N LEU A 422 -7.442 -4.995 -0.100 1.00 0.00 N ATOM 578 CA LEU A 422 -6.196 -5.357 -0.759 1.00 0.00 C ATOM 579 C LEU A 422 -6.229 -6.808 -1.201 1.00 0.00 C ATOM 580 O LEU A 422 -6.862 -7.652 -0.559 1.00 0.00 O ATOM 581 CB LEU A 422 -5.004 -5.136 0.170 1.00 0.00 C ATOM 582 CG LEU A 422 -4.522 -3.688 0.293 1.00 0.00 C ATOM 583 CD1 LEU A 422 -3.504 -3.556 1.410 1.00 0.00 C ATOM 584 CD2 LEU A 422 -3.923 -3.212 -1.018 1.00 0.00 C ATOM 0 H LEU A 422 -7.477 -5.232 0.891 1.00 0.00 H new ATOM 0 HA LEU A 422 -6.085 -4.717 -1.634 1.00 0.00 H new ATOM 0 HB2 LEU A 422 -5.268 -5.498 1.164 1.00 0.00 H new ATOM 0 HB3 LEU A 422 -4.173 -5.748 -0.182 1.00 0.00 H new ATOM 0 HG LEU A 422 -5.383 -3.063 0.531 1.00 0.00 H new ATOM 0 HD11 LEU A 422 -3.174 -2.520 1.481 1.00 0.00 H new ATOM 0 HD12 LEU A 422 -3.958 -3.858 2.354 1.00 0.00 H new ATOM 0 HD13 LEU A 422 -2.647 -4.196 1.199 1.00 0.00 H new ATOM 0 HD21 LEU A 422 -3.586 -2.181 -0.911 1.00 0.00 H new ATOM 0 HD22 LEU A 422 -3.076 -3.845 -1.282 1.00 0.00 H new ATOM 0 HD23 LEU A 422 -4.676 -3.268 -1.804 1.00 0.00 H new ATOM 596 N PRO A 423 -5.543 -7.109 -2.311 1.00 0.00 N ATOM 597 CA PRO A 423 -5.468 -8.460 -2.856 1.00 0.00 C ATOM 598 C PRO A 423 -4.869 -9.447 -1.862 1.00 0.00 C ATOM 599 O PRO A 423 -4.051 -9.077 -1.014 1.00 0.00 O ATOM 600 CB PRO A 423 -4.557 -8.311 -4.081 1.00 0.00 C ATOM 601 CG PRO A 423 -4.613 -6.867 -4.427 1.00 0.00 C ATOM 602 CD PRO A 423 -4.784 -6.148 -3.125 1.00 0.00 C ATOM 0 HA PRO A 423 -6.455 -8.856 -3.096 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -3.538 -8.624 -3.855 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -4.904 -8.929 -4.909 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -3.701 -6.550 -4.933 1.00 0.00 H new ATOM 0 HG3 PRO A 423 -5.442 -6.658 -5.102 1.00 0.00 H new ATOM 0 HD2 PRO A 423 -3.824 -5.904 -2.670 1.00 0.00 H new ATOM 0 HD3 PRO A 423 -5.325 -5.210 -3.250 1.00 0.00 H new ATOM 610 N LYS A 424 -5.304 -10.696 -1.975 1.00 0.00 N ATOM 611 CA LYS A 424 -4.831 -11.797 -1.136 1.00 0.00 C ATOM 612 C LYS A 424 -5.262 -11.615 0.316 1.00 0.00 C ATOM 613 O LYS A 424 -4.589 -12.085 1.237 1.00 0.00 O ATOM 614 CB LYS A 424 -3.308 -11.948 -1.222 1.00 0.00 C ATOM 615 CG LYS A 424 -2.798 -12.172 -2.638 1.00 0.00 C ATOM 616 CD LYS A 424 -1.323 -12.530 -2.657 1.00 0.00 C ATOM 617 CE LYS A 424 -1.075 -13.895 -2.034 1.00 0.00 C ATOM 618 NZ LYS A 424 -1.825 -14.969 -2.739 1.00 0.00 N ATOM 0 H LYS A 424 -6.004 -10.979 -2.660 1.00 0.00 H new ATOM 0 HA LYS A 424 -5.289 -12.710 -1.516 1.00 0.00 H new ATOM 0 HB2 LYS A 424 -2.839 -11.053 -0.813 1.00 0.00 H new ATOM 0 HB3 LYS A 424 -2.998 -12.785 -0.596 1.00 0.00 H new ATOM 0 HG2 LYS A 424 -3.372 -12.970 -3.109 1.00 0.00 H new ATOM 0 HG3 LYS A 424 -2.961 -11.271 -3.230 1.00 0.00 H new ATOM 0 HD2 LYS A 424 -0.959 -12.526 -3.685 1.00 0.00 H new ATOM 0 HD3 LYS A 424 -0.756 -11.773 -2.115 1.00 0.00 H new ATOM 0 HE2 LYS A 424 -0.009 -14.119 -2.061 1.00 0.00 H new ATOM 0 HE3 LYS A 424 -1.370 -13.875 -0.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 424 -1.402 -15.892 -2.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 424 -2.818 -14.959 -2.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 424 -1.780 -14.808 -3.765 1.00 0.00 H new ATOM 632 N ALA A 425 -6.392 -10.930 0.500 1.00 0.00 N ATOM 633 CA ALA A 425 -6.966 -10.697 1.824 1.00 0.00 C ATOM 634 C ALA A 425 -5.951 -10.031 2.743 1.00 0.00 C ATOM 635 O ALA A 425 -5.783 -10.416 3.904 1.00 0.00 O ATOM 636 CB ALA A 425 -7.473 -12.002 2.430 1.00 0.00 C ATOM 0 H ALA A 425 -6.933 -10.523 -0.263 1.00 0.00 H new ATOM 0 HA ALA A 425 -7.815 -10.023 1.713 1.00 0.00 H new ATOM 0 HB1 ALA A 425 -7.896 -11.806 3.415 1.00 0.00 H new ATOM 0 HB2 ALA A 425 -8.240 -12.429 1.784 1.00 0.00 H new ATOM 0 HB3 ALA A 425 -6.645 -12.705 2.524 1.00 0.00 H new ATOM 642 N GLN A 426 -5.266 -9.035 2.209 1.00 0.00 N ATOM 643 CA GLN A 426 -4.206 -8.367 2.937 1.00 0.00 C ATOM 644 C GLN A 426 -4.639 -6.981 3.387 1.00 0.00 C ATOM 645 O GLN A 426 -5.618 -6.427 2.890 1.00 0.00 O ATOM 646 CB GLN A 426 -2.956 -8.269 2.067 1.00 0.00 C ATOM 647 CG GLN A 426 -2.278 -9.608 1.820 1.00 0.00 C ATOM 648 CD GLN A 426 -1.108 -9.508 0.862 1.00 0.00 C ATOM 649 OE1 GLN A 426 -1.205 -8.606 -0.099 1.00 0.00 O flip ATOM 650 NE2 GLN A 426 -0.131 -10.252 0.974 1.00 0.00 N flip ATOM 0 H GLN A 426 -5.427 -8.671 1.270 1.00 0.00 H new ATOM 0 HA GLN A 426 -3.980 -8.956 3.826 1.00 0.00 H new ATOM 0 HB2 GLN A 426 -3.225 -7.825 1.108 1.00 0.00 H new ATOM 0 HB3 GLN A 426 -2.245 -7.594 2.543 1.00 0.00 H new ATOM 0 HG2 GLN A 426 -1.930 -10.014 2.770 1.00 0.00 H new ATOM 0 HG3 GLN A 426 -3.009 -10.312 1.421 1.00 0.00 H new ATOM 0 HE21 GLN A 426 -0.094 -10.935 1.730 1.00 0.00 H new ATOM 0 HE22 GLN A 426 0.641 -10.184 0.310 1.00 0.00 H new ATOM 659 N THR A 427 -3.913 -6.448 4.352 1.00 0.00 N ATOM 660 CA THR A 427 -4.124 -5.094 4.825 1.00 0.00 C ATOM 661 C THR A 427 -2.802 -4.332 4.832 1.00 0.00 C ATOM 662 O THR A 427 -2.769 -3.110 4.952 1.00 0.00 O ATOM 663 CB THR A 427 -4.737 -5.093 6.237 1.00 0.00 C ATOM 664 OG1 THR A 427 -4.115 -6.116 7.034 1.00 0.00 O ATOM 665 CG2 THR A 427 -6.242 -5.325 6.179 1.00 0.00 C ATOM 0 H THR A 427 -3.160 -6.943 4.830 1.00 0.00 H new ATOM 0 HA THR A 427 -4.822 -4.601 4.148 1.00 0.00 H new ATOM 0 HB THR A 427 -4.560 -4.117 6.690 1.00 0.00 H new ATOM 0 HG1 THR A 427 -4.505 -6.113 7.933 1.00 0.00 H new ATOM 0 HG21 THR A 427 -6.650 -5.320 7.190 1.00 0.00 H new ATOM 0 HG22 THR A 427 -6.710 -4.533 5.594 1.00 0.00 H new ATOM 0 HG23 THR A 427 -6.444 -6.289 5.711 1.00 0.00 H new ATOM 673 N THR A 428 -1.711 -5.071 4.693 1.00 0.00 N ATOM 674 CA THR A 428 -0.390 -4.496 4.682 1.00 0.00 C ATOM 675 C THR A 428 0.314 -4.753 3.353 1.00 0.00 C ATOM 676 O THR A 428 0.196 -5.835 2.773 1.00 0.00 O ATOM 677 CB THR A 428 0.443 -5.083 5.828 1.00 0.00 C ATOM 678 OG1 THR A 428 -0.056 -6.383 6.186 1.00 0.00 O ATOM 679 CG2 THR A 428 0.425 -4.168 7.042 1.00 0.00 C ATOM 0 H THR A 428 -1.725 -6.085 4.585 1.00 0.00 H new ATOM 0 HA THR A 428 -0.489 -3.419 4.814 1.00 0.00 H new ATOM 0 HB THR A 428 1.474 -5.175 5.485 1.00 0.00 H new ATOM 0 HG1 THR A 428 0.483 -6.750 6.917 1.00 0.00 H new ATOM 0 HG21 THR A 428 1.024 -4.609 7.839 1.00 0.00 H new ATOM 0 HG22 THR A 428 0.840 -3.197 6.772 1.00 0.00 H new ATOM 0 HG23 THR A 428 -0.601 -4.041 7.387 1.00 0.00 H new ATOM 687 N VAL A 429 1.021 -3.748 2.868 1.00 0.00 N ATOM 688 CA VAL A 429 1.819 -3.876 1.664 1.00 0.00 C ATOM 689 C VAL A 429 3.292 -3.877 2.038 1.00 0.00 C ATOM 690 O VAL A 429 3.737 -3.062 2.848 1.00 0.00 O ATOM 691 CB VAL A 429 1.540 -2.728 0.668 1.00 0.00 C ATOM 692 CG1 VAL A 429 2.227 -2.973 -0.657 1.00 0.00 C ATOM 693 CG2 VAL A 429 0.047 -2.550 0.449 1.00 0.00 C ATOM 0 H VAL A 429 1.058 -2.823 3.297 1.00 0.00 H new ATOM 0 HA VAL A 429 1.550 -4.813 1.177 1.00 0.00 H new ATOM 0 HB VAL A 429 1.944 -1.814 1.104 1.00 0.00 H new ATOM 0 HG11 VAL A 429 2.012 -2.148 -1.336 1.00 0.00 H new ATOM 0 HG12 VAL A 429 3.304 -3.043 -0.501 1.00 0.00 H new ATOM 0 HG13 VAL A 429 1.861 -3.904 -1.090 1.00 0.00 H new ATOM 0 HG21 VAL A 429 -0.123 -1.736 -0.256 1.00 0.00 H new ATOM 0 HG22 VAL A 429 -0.374 -3.472 0.047 1.00 0.00 H new ATOM 0 HG23 VAL A 429 -0.434 -2.314 1.398 1.00 0.00 H new ATOM 703 N THR A 430 4.036 -4.804 1.467 1.00 0.00 N ATOM 704 CA THR A 430 5.445 -4.934 1.747 1.00 0.00 C ATOM 705 C THR A 430 6.258 -4.138 0.734 1.00 0.00 C ATOM 706 O THR A 430 6.032 -4.228 -0.471 1.00 0.00 O ATOM 707 CB THR A 430 5.853 -6.417 1.716 1.00 0.00 C ATOM 708 OG1 THR A 430 5.069 -7.142 2.670 1.00 0.00 O ATOM 709 CG2 THR A 430 7.334 -6.598 2.026 1.00 0.00 C ATOM 0 H THR A 430 3.678 -5.485 0.798 1.00 0.00 H new ATOM 0 HA THR A 430 5.646 -4.536 2.742 1.00 0.00 H new ATOM 0 HB THR A 430 5.673 -6.800 0.711 1.00 0.00 H new ATOM 0 HG1 THR A 430 5.325 -8.088 2.652 1.00 0.00 H new ATOM 0 HG21 THR A 430 7.585 -7.658 1.995 1.00 0.00 H new ATOM 0 HG22 THR A 430 7.929 -6.062 1.286 1.00 0.00 H new ATOM 0 HG23 THR A 430 7.549 -6.203 3.019 1.00 0.00 H new ATOM 717 N CYS A 431 7.178 -3.338 1.236 1.00 0.00 N ATOM 718 CA CYS A 431 8.044 -2.539 0.393 1.00 0.00 C ATOM 719 C CYS A 431 9.093 -3.410 -0.244 1.00 0.00 C ATOM 720 O CYS A 431 10.013 -3.856 0.436 1.00 0.00 O ATOM 721 CB CYS A 431 8.755 -1.472 1.216 1.00 0.00 C ATOM 722 SG CYS A 431 9.825 -0.383 0.239 1.00 0.00 S ATOM 0 H CYS A 431 7.346 -3.224 2.236 1.00 0.00 H new ATOM 0 HA CYS A 431 7.425 -2.069 -0.371 1.00 0.00 H new ATOM 0 HB2 CYS A 431 8.009 -0.866 1.730 1.00 0.00 H new ATOM 0 HB3 CYS A 431 9.354 -1.960 1.985 1.00 0.00 H new ATOM 727 N MET A 432 8.974 -3.676 -1.532 1.00 0.00 N ATOM 728 CA MET A 432 10.027 -4.393 -2.210 1.00 0.00 C ATOM 729 C MET A 432 10.272 -3.886 -3.600 1.00 0.00 C ATOM 730 O MET A 432 9.350 -3.529 -4.333 1.00 0.00 O ATOM 731 CB MET A 432 9.807 -5.887 -2.228 1.00 0.00 C ATOM 732 CG MET A 432 10.116 -6.535 -0.905 1.00 0.00 C ATOM 733 SD MET A 432 10.898 -8.153 -1.070 1.00 0.00 S ATOM 734 CE MET A 432 9.695 -9.030 -2.065 1.00 0.00 C ATOM 0 H MET A 432 8.179 -3.413 -2.114 1.00 0.00 H new ATOM 0 HA MET A 432 10.923 -4.199 -1.620 1.00 0.00 H new ATOM 0 HB2 MET A 432 8.771 -6.094 -2.497 1.00 0.00 H new ATOM 0 HB3 MET A 432 10.432 -6.333 -3.001 1.00 0.00 H new ATOM 0 HG2 MET A 432 10.771 -5.879 -0.331 1.00 0.00 H new ATOM 0 HG3 MET A 432 9.193 -6.641 -0.336 1.00 0.00 H new ATOM 0 HE1 MET A 432 10.028 -10.057 -2.217 1.00 0.00 H new ATOM 0 HE2 MET A 432 8.732 -9.033 -1.554 1.00 0.00 H new ATOM 0 HE3 MET A 432 9.591 -8.535 -3.031 1.00 0.00 H new ATOM 744 N GLU A 433 11.552 -3.867 -3.921 1.00 0.00 N ATOM 745 CA GLU A 433 12.075 -3.354 -5.171 1.00 0.00 C ATOM 746 C GLU A 433 11.469 -1.998 -5.515 1.00 0.00 C ATOM 747 O GLU A 433 11.210 -1.702 -6.679 1.00 0.00 O ATOM 748 CB GLU A 433 11.856 -4.368 -6.274 1.00 0.00 C ATOM 749 CG GLU A 433 12.810 -5.543 -6.237 1.00 0.00 C ATOM 750 CD GLU A 433 14.250 -5.111 -6.151 1.00 0.00 C ATOM 751 OE1 GLU A 433 14.701 -4.336 -7.025 1.00 0.00 O ATOM 752 OE2 GLU A 433 14.924 -5.520 -5.191 1.00 0.00 O ATOM 0 H GLU A 433 12.279 -4.220 -3.298 1.00 0.00 H new ATOM 0 HA GLU A 433 13.148 -3.194 -5.063 1.00 0.00 H new ATOM 0 HB2 GLU A 433 10.834 -4.742 -6.210 1.00 0.00 H new ATOM 0 HB3 GLU A 433 11.952 -3.867 -7.237 1.00 0.00 H new ATOM 0 HG2 GLU A 433 12.571 -6.174 -5.381 1.00 0.00 H new ATOM 0 HG3 GLU A 433 12.669 -6.151 -7.131 1.00 0.00 H new ATOM 759 N ASN A 434 11.239 -1.185 -4.468 1.00 0.00 N ATOM 760 CA ASN A 434 10.669 0.166 -4.607 1.00 0.00 C ATOM 761 C ASN A 434 9.198 0.122 -5.040 1.00 0.00 C ATOM 762 O ASN A 434 8.445 1.065 -4.809 1.00 0.00 O ATOM 763 CB ASN A 434 11.503 1.003 -5.598 1.00 0.00 C ATOM 764 CG ASN A 434 10.838 2.307 -6.013 1.00 0.00 C ATOM 765 OD1 ASN A 434 10.954 3.318 -5.328 1.00 0.00 O ATOM 766 ND2 ASN A 434 10.163 2.298 -7.154 1.00 0.00 N ATOM 0 H ASN A 434 11.443 -1.446 -3.503 1.00 0.00 H new ATOM 0 HA ASN A 434 10.706 0.642 -3.627 1.00 0.00 H new ATOM 0 HB2 ASN A 434 12.469 1.227 -5.146 1.00 0.00 H new ATOM 0 HB3 ASN A 434 11.698 0.406 -6.489 1.00 0.00 H new ATOM 0 HD21 ASN A 434 9.718 3.152 -7.490 1.00 0.00 H new ATOM 0 HD22 ASN A 434 10.089 1.437 -7.696 1.00 0.00 H new ATOM 773 N GLY A 435 8.784 -0.989 -5.625 1.00 0.00 N ATOM 774 CA GLY A 435 7.466 -1.061 -6.214 1.00 0.00 C ATOM 775 C GLY A 435 6.522 -2.003 -5.500 1.00 0.00 C ATOM 776 O GLY A 435 5.908 -2.840 -6.149 1.00 0.00 O ATOM 0 H GLY A 435 9.337 -1.842 -5.703 1.00 0.00 H new ATOM 0 HA2 GLY A 435 7.028 -0.063 -6.223 1.00 0.00 H new ATOM 0 HA3 GLY A 435 7.561 -1.377 -7.253 1.00 0.00 H new ATOM 780 N TRP A 436 6.431 -1.853 -4.170 1.00 0.00 N ATOM 781 CA TRP A 436 5.421 -2.497 -3.331 1.00 0.00 C ATOM 782 C TRP A 436 5.030 -3.915 -3.777 1.00 0.00 C ATOM 783 O TRP A 436 4.251 -4.098 -4.713 1.00 0.00 O ATOM 784 CB TRP A 436 4.213 -1.585 -3.294 1.00 0.00 C ATOM 785 CG TRP A 436 4.499 -0.240 -2.694 1.00 0.00 C ATOM 786 CD1 TRP A 436 4.576 0.951 -3.357 1.00 0.00 C ATOM 787 CD2 TRP A 436 4.758 0.051 -1.315 1.00 0.00 C ATOM 788 NE1 TRP A 436 4.855 1.966 -2.473 1.00 0.00 N ATOM 789 CE2 TRP A 436 4.976 1.438 -1.214 1.00 0.00 C ATOM 790 CE3 TRP A 436 4.826 -0.727 -0.155 1.00 0.00 C ATOM 791 CZ2 TRP A 436 5.252 2.061 0.001 1.00 0.00 C ATOM 792 CZ3 TRP A 436 5.104 -0.108 1.046 1.00 0.00 C ATOM 793 CH2 TRP A 436 5.314 1.273 1.117 1.00 0.00 C ATOM 0 H TRP A 436 7.075 -1.266 -3.640 1.00 0.00 H new ATOM 0 HA TRP A 436 5.849 -2.639 -2.338 1.00 0.00 H new ATOM 0 HB2 TRP A 436 3.838 -1.450 -4.309 1.00 0.00 H new ATOM 0 HB3 TRP A 436 3.420 -2.068 -2.723 1.00 0.00 H new ATOM 0 HD1 TRP A 436 4.438 1.077 -4.421 1.00 0.00 H new ATOM 0 HE1 TRP A 436 4.956 2.952 -2.715 1.00 0.00 H new ATOM 0 HE3 TRP A 436 4.664 -1.794 -0.199 1.00 0.00 H new ATOM 0 HZ2 TRP A 436 5.411 3.128 0.060 1.00 0.00 H new ATOM 0 HZ3 TRP A 436 5.160 -0.700 1.947 1.00 0.00 H new ATOM 0 HH2 TRP A 436 5.530 1.727 2.073 1.00 0.00 H new ATOM 804 N SER A 437 5.492 -4.899 -3.014 1.00 0.00 N ATOM 805 CA SER A 437 5.483 -6.302 -3.425 1.00 0.00 C ATOM 806 C SER A 437 4.115 -6.784 -3.907 1.00 0.00 C ATOM 807 O SER A 437 3.981 -7.224 -5.050 1.00 0.00 O ATOM 808 CB SER A 437 5.980 -7.169 -2.268 1.00 0.00 C ATOM 809 OG SER A 437 7.337 -6.968 -2.052 1.00 0.00 O ATOM 0 H SER A 437 5.887 -4.747 -2.086 1.00 0.00 H new ATOM 0 HA SER A 437 6.151 -6.393 -4.281 1.00 0.00 H new ATOM 0 HB2 SER A 437 5.423 -6.929 -1.362 1.00 0.00 H new ATOM 0 HB3 SER A 437 5.793 -8.220 -2.488 1.00 0.00 H new ATOM 0 HG SER A 437 7.466 -6.161 -1.511 1.00 0.00 H new ATOM 815 N PRO A 438 3.076 -6.713 -3.064 1.00 0.00 N ATOM 816 CA PRO A 438 1.767 -7.242 -3.418 1.00 0.00 C ATOM 817 C PRO A 438 0.914 -6.251 -4.202 1.00 0.00 C ATOM 818 O PRO A 438 -0.195 -6.573 -4.629 1.00 0.00 O ATOM 819 CB PRO A 438 1.179 -7.516 -2.052 1.00 0.00 C ATOM 820 CG PRO A 438 1.676 -6.399 -1.215 1.00 0.00 C ATOM 821 CD PRO A 438 3.077 -6.146 -1.695 1.00 0.00 C ATOM 0 HA PRO A 438 1.818 -8.109 -4.077 1.00 0.00 H new ATOM 0 HB2 PRO A 438 0.090 -7.537 -2.084 1.00 0.00 H new ATOM 0 HB3 PRO A 438 1.505 -8.481 -1.664 1.00 0.00 H new ATOM 0 HG2 PRO A 438 1.053 -5.512 -1.331 1.00 0.00 H new ATOM 0 HG3 PRO A 438 1.663 -6.662 -0.157 1.00 0.00 H new ATOM 0 HD2 PRO A 438 3.314 -5.082 -1.700 1.00 0.00 H new ATOM 0 HD3 PRO A 438 3.815 -6.634 -1.058 1.00 0.00 H new ATOM 829 N THR A 439 1.455 -5.048 -4.369 1.00 0.00 N ATOM 830 CA THR A 439 0.819 -3.975 -5.121 1.00 0.00 C ATOM 831 C THR A 439 -0.367 -3.389 -4.353 1.00 0.00 C ATOM 832 O THR A 439 -1.371 -4.061 -4.127 1.00 0.00 O ATOM 833 CB THR A 439 0.370 -4.456 -6.516 1.00 0.00 C ATOM 834 OG1 THR A 439 1.463 -5.120 -7.171 1.00 0.00 O ATOM 835 CG2 THR A 439 -0.095 -3.288 -7.372 1.00 0.00 C ATOM 0 H THR A 439 2.361 -4.789 -3.979 1.00 0.00 H new ATOM 0 HA THR A 439 1.562 -3.189 -5.256 1.00 0.00 H new ATOM 0 HB THR A 439 -0.464 -5.146 -6.388 1.00 0.00 H new ATOM 0 HG1 THR A 439 1.176 -5.427 -8.056 1.00 0.00 H new ATOM 0 HG21 THR A 439 -0.406 -3.655 -8.350 1.00 0.00 H new ATOM 0 HG22 THR A 439 -0.936 -2.793 -6.886 1.00 0.00 H new ATOM 0 HG23 THR A 439 0.723 -2.578 -7.494 1.00 0.00 H new ATOM 843 N PRO A 440 -0.252 -2.122 -3.928 1.00 0.00 N ATOM 844 CA PRO A 440 -1.322 -1.438 -3.213 1.00 0.00 C ATOM 845 C PRO A 440 -2.507 -1.179 -4.132 1.00 0.00 C ATOM 846 O PRO A 440 -2.538 -0.187 -4.859 1.00 0.00 O ATOM 847 CB PRO A 440 -0.700 -0.111 -2.757 1.00 0.00 C ATOM 848 CG PRO A 440 0.755 -0.186 -3.093 1.00 0.00 C ATOM 849 CD PRO A 440 0.916 -1.259 -4.133 1.00 0.00 C ATOM 0 HA PRO A 440 -1.699 -2.030 -2.379 1.00 0.00 H new ATOM 0 HB2 PRO A 440 -1.172 0.732 -3.262 1.00 0.00 H new ATOM 0 HB3 PRO A 440 -0.844 0.037 -1.687 1.00 0.00 H new ATOM 0 HG2 PRO A 440 1.113 0.772 -3.470 1.00 0.00 H new ATOM 0 HG3 PRO A 440 1.343 -0.419 -2.205 1.00 0.00 H new ATOM 0 HD2 PRO A 440 0.933 -0.841 -5.140 1.00 0.00 H new ATOM 0 HD3 PRO A 440 1.848 -1.809 -4.000 1.00 0.00 H new ATOM 857 N ARG A 441 -3.466 -2.088 -4.114 1.00 0.00 N ATOM 858 CA ARG A 441 -4.623 -1.994 -4.988 1.00 0.00 C ATOM 859 C ARG A 441 -5.906 -2.198 -4.210 1.00 0.00 C ATOM 860 O ARG A 441 -6.127 -3.255 -3.625 1.00 0.00 O ATOM 861 CB ARG A 441 -4.546 -3.029 -6.112 1.00 0.00 C ATOM 862 CG ARG A 441 -3.475 -2.740 -7.147 1.00 0.00 C ATOM 863 CD ARG A 441 -3.647 -1.358 -7.749 1.00 0.00 C ATOM 864 NE ARG A 441 -4.995 -1.164 -8.296 1.00 0.00 N ATOM 865 CZ ARG A 441 -5.608 0.020 -8.402 1.00 0.00 C ATOM 866 NH1 ARG A 441 -4.983 1.143 -8.057 1.00 0.00 N ATOM 867 NH2 ARG A 441 -6.852 0.080 -8.871 1.00 0.00 N ATOM 0 H ARG A 441 -3.466 -2.903 -3.501 1.00 0.00 H new ATOM 0 HA ARG A 441 -4.622 -0.994 -5.422 1.00 0.00 H new ATOM 0 HB2 ARG A 441 -4.359 -4.010 -5.676 1.00 0.00 H new ATOM 0 HB3 ARG A 441 -5.514 -3.081 -6.611 1.00 0.00 H new ATOM 0 HG2 ARG A 441 -2.490 -2.818 -6.686 1.00 0.00 H new ATOM 0 HG3 ARG A 441 -3.517 -3.490 -7.936 1.00 0.00 H new ATOM 0 HD2 ARG A 441 -3.452 -0.603 -6.987 1.00 0.00 H new ATOM 0 HD3 ARG A 441 -2.910 -1.212 -8.539 1.00 0.00 H new ATOM 0 HE ARG A 441 -5.500 -1.990 -8.618 1.00 0.00 H new ATOM 0 HH11 ARG A 441 -4.026 1.107 -7.707 1.00 0.00 H new ATOM 0 HH12 ARG A 441 -5.461 2.040 -8.142 1.00 0.00 H new ATOM 0 HH21 ARG A 441 -7.334 -0.775 -9.148 1.00 0.00 H new ATOM 0 HH22 ARG A 441 -7.323 0.981 -8.953 1.00 0.00 H new ATOM 881 N CYS A 442 -6.748 -1.183 -4.219 1.00 0.00 N ATOM 882 CA CYS A 442 -8.037 -1.258 -3.562 1.00 0.00 C ATOM 883 C CYS A 442 -9.049 -1.929 -4.474 1.00 0.00 C ATOM 884 O CYS A 442 -9.809 -1.265 -5.180 1.00 0.00 O ATOM 885 CB CYS A 442 -8.515 0.139 -3.182 1.00 0.00 C ATOM 886 SG CYS A 442 -7.363 1.038 -2.097 1.00 0.00 S ATOM 0 H CYS A 442 -6.560 -0.291 -4.677 1.00 0.00 H new ATOM 0 HA CYS A 442 -7.935 -1.852 -2.654 1.00 0.00 H new ATOM 0 HB2 CYS A 442 -8.671 0.719 -4.091 1.00 0.00 H new ATOM 0 HB3 CYS A 442 -9.482 0.060 -2.684 1.00 0.00 H new ATOM 891 N ILE A 443 -9.037 -3.249 -4.477 1.00 0.00 N ATOM 892 CA ILE A 443 -9.955 -4.007 -5.290 1.00 0.00 C ATOM 893 C ILE A 443 -11.334 -4.015 -4.671 1.00 0.00 C ATOM 894 O ILE A 443 -11.485 -4.028 -3.449 1.00 0.00 O ATOM 895 CB ILE A 443 -9.486 -5.457 -5.504 1.00 0.00 C ATOM 896 CG1 ILE A 443 -8.932 -6.062 -4.220 1.00 0.00 C ATOM 897 CG2 ILE A 443 -8.454 -5.505 -6.593 1.00 0.00 C ATOM 898 CD1 ILE A 443 -8.588 -7.534 -4.333 1.00 0.00 C ATOM 0 H ILE A 443 -8.397 -3.816 -3.921 1.00 0.00 H new ATOM 0 HA ILE A 443 -9.989 -3.516 -6.262 1.00 0.00 H new ATOM 0 HB ILE A 443 -10.350 -6.051 -5.801 1.00 0.00 H new ATOM 0 HG12 ILE A 443 -8.038 -5.512 -3.927 1.00 0.00 H new ATOM 0 HG13 ILE A 443 -9.663 -5.930 -3.423 1.00 0.00 H new ATOM 0 HG21 ILE A 443 -8.127 -6.534 -6.739 1.00 0.00 H new ATOM 0 HG22 ILE A 443 -8.885 -5.126 -7.520 1.00 0.00 H new ATOM 0 HG23 ILE A 443 -7.600 -4.889 -6.312 1.00 0.00 H new ATOM 0 HD11 ILE A 443 -8.200 -7.891 -3.379 1.00 0.00 H new ATOM 0 HD12 ILE A 443 -9.483 -8.098 -4.595 1.00 0.00 H new ATOM 0 HD13 ILE A 443 -7.833 -7.673 -5.107 1.00 0.00 H new ATOM 910 N ARG A 444 -12.332 -3.996 -5.527 1.00 0.00 N ATOM 911 CA ARG A 444 -13.709 -3.992 -5.085 1.00 0.00 C ATOM 912 C ARG A 444 -14.076 -5.363 -4.555 1.00 0.00 C ATOM 913 O ARG A 444 -14.166 -6.335 -5.308 1.00 0.00 O ATOM 914 CB ARG A 444 -14.636 -3.581 -6.233 1.00 0.00 C ATOM 915 CG ARG A 444 -16.107 -3.730 -5.904 1.00 0.00 C ATOM 916 CD ARG A 444 -16.985 -3.421 -7.107 1.00 0.00 C ATOM 917 NE ARG A 444 -18.387 -3.764 -6.866 1.00 0.00 N ATOM 918 CZ ARG A 444 -19.410 -3.233 -7.535 1.00 0.00 C ATOM 919 NH1 ARG A 444 -19.184 -2.366 -8.516 1.00 0.00 N ATOM 920 NH2 ARG A 444 -20.657 -3.591 -7.242 1.00 0.00 N ATOM 0 H ARG A 444 -12.214 -3.983 -6.540 1.00 0.00 H new ATOM 0 HA ARG A 444 -13.828 -3.264 -4.282 1.00 0.00 H new ATOM 0 HB2 ARG A 444 -14.434 -2.543 -6.499 1.00 0.00 H new ATOM 0 HB3 ARG A 444 -14.405 -4.185 -7.110 1.00 0.00 H new ATOM 0 HG2 ARG A 444 -16.303 -4.746 -5.562 1.00 0.00 H new ATOM 0 HG3 ARG A 444 -16.366 -3.062 -5.083 1.00 0.00 H new ATOM 0 HD2 ARG A 444 -16.908 -2.361 -7.349 1.00 0.00 H new ATOM 0 HD3 ARG A 444 -16.621 -3.973 -7.973 1.00 0.00 H new ATOM 0 HE ARG A 444 -18.594 -4.452 -6.142 1.00 0.00 H new ATOM 0 HH11 ARG A 444 -18.227 -2.107 -8.757 1.00 0.00 H new ATOM 0 HH12 ARG A 444 -19.967 -1.960 -9.028 1.00 0.00 H new ATOM 0 HH21 ARG A 444 -20.832 -4.273 -6.504 1.00 0.00 H new ATOM 0 HH22 ARG A 444 -21.439 -3.183 -7.755 1.00 0.00 H new ATOM 934 N VAL A 445 -14.284 -5.425 -3.254 1.00 0.00 N ATOM 935 CA VAL A 445 -14.502 -6.682 -2.568 1.00 0.00 C ATOM 936 C VAL A 445 -15.934 -7.172 -2.766 1.00 0.00 C ATOM 937 O VAL A 445 -16.239 -8.343 -2.549 1.00 0.00 O ATOM 938 CB VAL A 445 -14.187 -6.533 -1.067 1.00 0.00 C ATOM 939 CG1 VAL A 445 -15.280 -5.755 -0.346 1.00 0.00 C ATOM 940 CG2 VAL A 445 -13.957 -7.890 -0.417 1.00 0.00 C ATOM 0 H VAL A 445 -14.306 -4.607 -2.645 1.00 0.00 H new ATOM 0 HA VAL A 445 -13.829 -7.425 -2.996 1.00 0.00 H new ATOM 0 HB VAL A 445 -13.263 -5.961 -0.979 1.00 0.00 H new ATOM 0 HG11 VAL A 445 -15.028 -5.668 0.711 1.00 0.00 H new ATOM 0 HG12 VAL A 445 -15.366 -4.760 -0.782 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -16.229 -6.280 -0.450 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -13.737 -7.754 0.642 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -14.852 -8.502 -0.526 1.00 0.00 H new ATOM 0 HG23 VAL A 445 -13.117 -8.388 -0.901 1.00 0.00 H new