USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=15 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 411 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 430 THR OG1 : rot 180:sc= 0 USER MOD Single : A 388 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 390 TYR OH : rot 180:sc= -0.763 USER MOD Single : A 393 TYR OH : rot -173:sc= 0.934 USER MOD Single : A 396 ASN : amide:sc= -1.35 X(o=-1.3,f=-1.6) USER MOD Single : A 398 TYR OH : rot 180:sc= 0 USER MOD Single : A 399 ASN : amide:sc= 1.05 K(o=1.1,f=-7.4!) USER MOD Single : A 400 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 401 ASN : amide:sc= -0.0521 K(o=-0.052,f=-3!) USER MOD Single : A 402 TYR OH : rot 180:sc= 0 USER MOD Single : A 405 LYS NZ :NH3+ -142:sc= 0.289 (180deg=-0.164) USER MOD Single : A 408 GLN : amide:sc= -11.2! C(o=-11!,f=-22!) USER MOD Single : A 410 LYS NZ :NH3+ -164:sc=-0.00566 (180deg=-0.194) USER MOD Single : A 417 HIS : no HD1:sc= -0.066 X(o=-0.066,f=-0.0048) USER MOD Single : A 420 TYR OH : rot 180:sc= 0 USER MOD Single : A 424 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 426 GLN :FLIP amide:sc= -0.0019 F(o=-1.6,f=-0.0019) 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 432 MET CE :methyl 155:sc= -0.306 (180deg=-1.21) USER MOD Single : A 434 ASN : amide:sc= 0.226 X(o=0.23,f=-0.14) USER MOD Single : A 437 SER OG : rot -131:sc= -4.84! USER MOD Single : A 439 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N ARG A 387 15.892 -1.365 -1.409 1.00 0.00 N ATOM 21 CA ARG A 387 15.465 -0.084 -1.996 1.00 0.00 C ATOM 22 C ARG A 387 14.644 0.721 -1.008 1.00 0.00 C ATOM 23 O ARG A 387 14.543 0.388 0.170 1.00 0.00 O ATOM 24 CB ARG A 387 14.615 -0.276 -3.255 1.00 0.00 C ATOM 25 CG ARG A 387 15.279 -1.052 -4.364 1.00 0.00 C ATOM 26 CD ARG A 387 14.706 -0.697 -5.719 1.00 0.00 C ATOM 27 NE ARG A 387 15.133 -1.638 -6.750 1.00 0.00 N ATOM 28 CZ ARG A 387 15.708 -1.278 -7.896 1.00 0.00 C ATOM 29 NH1 ARG A 387 16.046 -0.013 -8.105 1.00 0.00 N ATOM 30 NH2 ARG A 387 15.977 -2.195 -8.814 1.00 0.00 N ATOM 0 HA ARG A 387 16.382 0.444 -2.255 1.00 0.00 H new ATOM 0 HB2 ARG A 387 13.693 -0.786 -2.977 1.00 0.00 H new ATOM 0 HB3 ARG A 387 14.334 0.705 -3.637 1.00 0.00 H new ATOM 0 HG2 ARG A 387 16.350 -0.850 -4.358 1.00 0.00 H new ATOM 0 HG3 ARG A 387 15.155 -2.120 -4.185 1.00 0.00 H new ATOM 0 HD2 ARG A 387 13.617 -0.688 -5.663 1.00 0.00 H new ATOM 0 HD3 ARG A 387 15.019 0.310 -5.994 1.00 0.00 H new ATOM 0 HE ARG A 387 14.982 -2.633 -6.582 1.00 0.00 H new ATOM 0 HH11 ARG A 387 15.866 0.688 -7.387 1.00 0.00 H new ATOM 0 HH12 ARG A 387 16.486 0.259 -8.984 1.00 0.00 H new ATOM 0 HH21 ARG A 387 15.744 -3.173 -8.642 1.00 0.00 H new ATOM 0 HH22 ARG A 387 16.417 -1.923 -9.693 1.00 0.00 H new ATOM 44 N LYS A 388 14.066 1.790 -1.509 1.00 0.00 N ATOM 45 CA LYS A 388 13.189 2.630 -0.719 1.00 0.00 C ATOM 46 C LYS A 388 11.924 2.971 -1.498 1.00 0.00 C ATOM 47 O LYS A 388 11.892 3.930 -2.272 1.00 0.00 O ATOM 48 CB LYS A 388 13.926 3.892 -0.289 1.00 0.00 C ATOM 49 CG LYS A 388 14.977 3.628 0.777 1.00 0.00 C ATOM 50 CD LYS A 388 15.727 4.885 1.179 1.00 0.00 C ATOM 51 CE LYS A 388 16.545 5.446 0.026 1.00 0.00 C ATOM 52 NZ LYS A 388 17.483 6.505 0.480 1.00 0.00 N ATOM 0 H LYS A 388 14.189 2.102 -2.472 1.00 0.00 H new ATOM 0 HA LYS A 388 12.889 2.084 0.176 1.00 0.00 H new ATOM 0 HB2 LYS A 388 14.403 4.342 -1.159 1.00 0.00 H new ATOM 0 HB3 LYS A 388 13.205 4.617 0.090 1.00 0.00 H new ATOM 0 HG2 LYS A 388 14.498 3.198 1.656 1.00 0.00 H new ATOM 0 HG3 LYS A 388 15.687 2.888 0.407 1.00 0.00 H new ATOM 0 HD2 LYS A 388 15.017 5.638 1.522 1.00 0.00 H new ATOM 0 HD3 LYS A 388 16.386 4.663 2.018 1.00 0.00 H new ATOM 0 HE2 LYS A 388 17.107 4.641 -0.447 1.00 0.00 H new ATOM 0 HE3 LYS A 388 15.875 5.854 -0.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 18.023 6.863 -0.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 16.945 7.285 0.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 18.139 6.109 1.184 1.00 0.00 H new ATOM 66 N CYS A 389 10.895 2.153 -1.295 1.00 0.00 N ATOM 67 CA CYS A 389 9.610 2.313 -1.966 1.00 0.00 C ATOM 68 C CYS A 389 8.978 3.664 -1.652 1.00 0.00 C ATOM 69 O CYS A 389 9.056 4.154 -0.523 1.00 0.00 O ATOM 70 CB CYS A 389 8.647 1.212 -1.520 1.00 0.00 C ATOM 71 SG CYS A 389 9.367 -0.459 -1.498 1.00 0.00 S ATOM 0 H CYS A 389 10.930 1.357 -0.658 1.00 0.00 H new ATOM 0 HA CYS A 389 9.793 2.250 -3.039 1.00 0.00 H new ATOM 0 HB2 CYS A 389 8.282 1.449 -0.521 1.00 0.00 H new ATOM 0 HB3 CYS A 389 7.782 1.212 -2.184 1.00 0.00 H new ATOM 76 N TYR A 390 8.349 4.256 -2.656 1.00 0.00 N ATOM 77 CA TYR A 390 7.581 5.473 -2.467 1.00 0.00 C ATOM 78 C TYR A 390 6.097 5.122 -2.491 1.00 0.00 C ATOM 79 O TYR A 390 5.668 4.307 -3.307 1.00 0.00 O ATOM 80 CB TYR A 390 7.915 6.484 -3.569 1.00 0.00 C ATOM 81 CG TYR A 390 7.281 7.845 -3.381 1.00 0.00 C ATOM 82 CD1 TYR A 390 7.863 8.791 -2.549 1.00 0.00 C ATOM 83 CD2 TYR A 390 6.110 8.189 -4.044 1.00 0.00 C ATOM 84 CE1 TYR A 390 7.299 10.038 -2.383 1.00 0.00 C ATOM 85 CE2 TYR A 390 5.537 9.435 -3.883 1.00 0.00 C ATOM 86 CZ TYR A 390 6.137 10.357 -3.051 1.00 0.00 C ATOM 87 OH TYR A 390 5.578 11.605 -2.889 1.00 0.00 O ATOM 0 H TYR A 390 8.357 3.909 -3.615 1.00 0.00 H new ATOM 0 HA TYR A 390 7.831 5.926 -1.508 1.00 0.00 H new ATOM 0 HB2 TYR A 390 8.997 6.604 -3.619 1.00 0.00 H new ATOM 0 HB3 TYR A 390 7.595 6.077 -4.528 1.00 0.00 H new ATOM 0 HD1 TYR A 390 8.774 8.546 -2.022 1.00 0.00 H new ATOM 0 HD2 TYR A 390 5.639 7.469 -4.697 1.00 0.00 H new ATOM 0 HE1 TYR A 390 7.766 10.762 -1.732 1.00 0.00 H new ATOM 0 HE2 TYR A 390 4.625 9.686 -4.405 1.00 0.00 H new ATOM 0 HH TYR A 390 4.763 11.671 -3.429 1.00 0.00 H new ATOM 97 N PHE A 391 5.323 5.701 -1.588 1.00 0.00 N ATOM 98 CA PHE A 391 3.903 5.386 -1.518 1.00 0.00 C ATOM 99 C PHE A 391 3.087 6.387 -2.332 1.00 0.00 C ATOM 100 O PHE A 391 3.050 7.578 -2.011 1.00 0.00 O ATOM 101 CB PHE A 391 3.426 5.363 -0.067 1.00 0.00 C ATOM 102 CG PHE A 391 2.288 4.412 0.149 1.00 0.00 C ATOM 103 CD1 PHE A 391 1.020 4.700 -0.325 1.00 0.00 C ATOM 104 CD2 PHE A 391 2.497 3.211 0.803 1.00 0.00 C ATOM 105 CE1 PHE A 391 -0.018 3.809 -0.147 1.00 0.00 C ATOM 106 CE2 PHE A 391 1.465 2.313 0.982 1.00 0.00 C ATOM 107 CZ PHE A 391 0.207 2.614 0.507 1.00 0.00 C ATOM 0 H PHE A 391 5.646 6.383 -0.901 1.00 0.00 H new ATOM 0 HA PHE A 391 3.754 4.394 -1.945 1.00 0.00 H new ATOM 0 HB2 PHE A 391 4.257 5.083 0.581 1.00 0.00 H new ATOM 0 HB3 PHE A 391 3.117 6.366 0.226 1.00 0.00 H new ATOM 0 HD1 PHE A 391 0.841 5.632 -0.840 1.00 0.00 H new ATOM 0 HD2 PHE A 391 3.481 2.973 1.179 1.00 0.00 H new ATOM 0 HE1 PHE A 391 -1.004 4.046 -0.518 1.00 0.00 H new ATOM 0 HE2 PHE A 391 1.642 1.378 1.492 1.00 0.00 H new ATOM 0 HZ PHE A 391 -0.604 1.914 0.646 1.00 0.00 H new ATOM 117 N PRO A 392 2.433 5.908 -3.404 1.00 0.00 N ATOM 118 CA PRO A 392 1.665 6.745 -4.317 1.00 0.00 C ATOM 119 C PRO A 392 0.185 6.849 -3.954 1.00 0.00 C ATOM 120 O PRO A 392 -0.265 6.320 -2.939 1.00 0.00 O ATOM 121 CB PRO A 392 1.840 6.005 -5.637 1.00 0.00 C ATOM 122 CG PRO A 392 1.901 4.560 -5.256 1.00 0.00 C ATOM 123 CD PRO A 392 2.404 4.497 -3.830 1.00 0.00 C ATOM 0 HA PRO A 392 2.006 7.780 -4.315 1.00 0.00 H new ATOM 0 HB2 PRO A 392 1.009 6.201 -6.314 1.00 0.00 H new ATOM 0 HB3 PRO A 392 2.750 6.318 -6.149 1.00 0.00 H new ATOM 0 HG2 PRO A 392 0.917 4.098 -5.338 1.00 0.00 H new ATOM 0 HG3 PRO A 392 2.567 4.013 -5.924 1.00 0.00 H new ATOM 0 HD2 PRO A 392 1.744 3.902 -3.199 1.00 0.00 H new ATOM 0 HD3 PRO A 392 3.393 4.042 -3.774 1.00 0.00 H new ATOM 131 N TYR A 393 -0.563 7.542 -4.808 1.00 0.00 N ATOM 132 CA TYR A 393 -1.978 7.803 -4.577 1.00 0.00 C ATOM 133 C TYR A 393 -2.834 6.605 -4.949 1.00 0.00 C ATOM 134 O TYR A 393 -2.645 5.982 -5.998 1.00 0.00 O ATOM 135 CB TYR A 393 -2.417 9.041 -5.375 1.00 0.00 C ATOM 136 CG TYR A 393 -3.920 9.230 -5.473 1.00 0.00 C ATOM 137 CD1 TYR A 393 -4.651 9.757 -4.416 1.00 0.00 C ATOM 138 CD2 TYR A 393 -4.604 8.888 -6.635 1.00 0.00 C ATOM 139 CE1 TYR A 393 -6.019 9.938 -4.515 1.00 0.00 C ATOM 140 CE2 TYR A 393 -5.969 9.063 -6.740 1.00 0.00 C ATOM 141 CZ TYR A 393 -6.671 9.588 -5.678 1.00 0.00 C ATOM 142 OH TYR A 393 -8.033 9.775 -5.785 1.00 0.00 O ATOM 0 H TYR A 393 -0.205 7.937 -5.678 1.00 0.00 H new ATOM 0 HA TYR A 393 -2.118 7.990 -3.512 1.00 0.00 H new ATOM 0 HB2 TYR A 393 -1.982 9.927 -4.913 1.00 0.00 H new ATOM 0 HB3 TYR A 393 -2.006 8.972 -6.382 1.00 0.00 H new ATOM 0 HD1 TYR A 393 -4.143 10.030 -3.503 1.00 0.00 H new ATOM 0 HD2 TYR A 393 -4.057 8.478 -7.471 1.00 0.00 H new ATOM 0 HE1 TYR A 393 -6.573 10.351 -3.685 1.00 0.00 H new ATOM 0 HE2 TYR A 393 -6.483 8.790 -7.649 1.00 0.00 H new ATOM 0 HH TYR A 393 -8.353 9.377 -6.621 1.00 0.00 H new ATOM 152 N LEU A 394 -3.765 6.291 -4.068 1.00 0.00 N ATOM 153 CA LEU A 394 -4.728 5.236 -4.297 1.00 0.00 C ATOM 154 C LEU A 394 -6.100 5.840 -4.498 1.00 0.00 C ATOM 155 O LEU A 394 -6.547 6.657 -3.689 1.00 0.00 O ATOM 156 CB LEU A 394 -4.768 4.303 -3.093 1.00 0.00 C ATOM 157 CG LEU A 394 -3.396 3.942 -2.541 1.00 0.00 C ATOM 158 CD1 LEU A 394 -3.526 3.432 -1.127 1.00 0.00 C ATOM 159 CD2 LEU A 394 -2.722 2.906 -3.425 1.00 0.00 C ATOM 0 H LEU A 394 -3.873 6.764 -3.171 1.00 0.00 H new ATOM 0 HA LEU A 394 -4.437 4.674 -5.184 1.00 0.00 H new ATOM 0 HB2 LEU A 394 -5.354 4.772 -2.303 1.00 0.00 H new ATOM 0 HB3 LEU A 394 -5.287 3.387 -3.374 1.00 0.00 H new ATOM 0 HG LEU A 394 -2.774 4.837 -2.533 1.00 0.00 H new ATOM 0 HD11 LEU A 394 -2.540 3.176 -0.740 1.00 0.00 H new ATOM 0 HD12 LEU A 394 -3.972 4.205 -0.501 1.00 0.00 H new ATOM 0 HD13 LEU A 394 -4.161 2.546 -1.117 1.00 0.00 H new ATOM 0 HD21 LEU A 394 -1.742 2.660 -3.015 1.00 0.00 H new ATOM 0 HD22 LEU A 394 -3.336 2.006 -3.464 1.00 0.00 H new ATOM 0 HD23 LEU A 394 -2.604 3.308 -4.431 1.00 0.00 H new ATOM 171 N GLU A 395 -6.762 5.464 -5.577 1.00 0.00 N ATOM 172 CA GLU A 395 -8.142 5.847 -5.761 1.00 0.00 C ATOM 173 C GLU A 395 -8.976 5.070 -4.761 1.00 0.00 C ATOM 174 O GLU A 395 -8.575 3.973 -4.364 1.00 0.00 O ATOM 175 CB GLU A 395 -8.602 5.554 -7.187 1.00 0.00 C ATOM 176 CG GLU A 395 -9.963 6.145 -7.517 1.00 0.00 C ATOM 177 CD GLU A 395 -10.081 7.597 -7.097 1.00 0.00 C ATOM 178 OE1 GLU A 395 -9.502 8.470 -7.773 1.00 0.00 O ATOM 179 OE2 GLU A 395 -10.750 7.868 -6.076 1.00 0.00 O ATOM 0 H GLU A 395 -6.368 4.900 -6.330 1.00 0.00 H new ATOM 0 HA GLU A 395 -8.257 6.919 -5.598 1.00 0.00 H new ATOM 0 HB2 GLU A 395 -7.864 5.947 -7.887 1.00 0.00 H new ATOM 0 HB3 GLU A 395 -8.638 4.475 -7.335 1.00 0.00 H new ATOM 0 HG2 GLU A 395 -10.140 6.064 -8.589 1.00 0.00 H new ATOM 0 HG3 GLU A 395 -10.739 5.562 -7.021 1.00 0.00 H new ATOM 186 N ASN A 396 -10.112 5.635 -4.350 1.00 0.00 N ATOM 187 CA ASN A 396 -10.972 5.036 -3.322 1.00 0.00 C ATOM 188 C ASN A 396 -10.154 4.491 -2.148 1.00 0.00 C ATOM 189 O ASN A 396 -10.440 3.418 -1.609 1.00 0.00 O ATOM 190 CB ASN A 396 -11.915 3.950 -3.897 1.00 0.00 C ATOM 191 CG ASN A 396 -11.305 3.094 -4.997 1.00 0.00 C ATOM 192 OD1 ASN A 396 -11.486 3.367 -6.184 1.00 0.00 O ATOM 193 ND2 ASN A 396 -10.560 2.072 -4.619 1.00 0.00 N ATOM 0 H ASN A 396 -10.464 6.519 -4.718 1.00 0.00 H new ATOM 0 HA ASN A 396 -11.605 5.839 -2.945 1.00 0.00 H new ATOM 0 HB2 ASN A 396 -12.235 3.298 -3.084 1.00 0.00 H new ATOM 0 HB3 ASN A 396 -12.810 4.435 -4.287 1.00 0.00 H new ATOM 0 HD21 ASN A 396 -10.113 1.480 -5.319 1.00 0.00 H new ATOM 0 HD22 ASN A 396 -10.431 1.874 -3.627 1.00 0.00 H new ATOM 200 N GLY A 397 -9.151 5.261 -1.743 1.00 0.00 N ATOM 201 CA GLY A 397 -8.298 4.885 -0.634 1.00 0.00 C ATOM 202 C GLY A 397 -7.970 6.079 0.236 1.00 0.00 C ATOM 203 O GLY A 397 -7.897 7.199 -0.265 1.00 0.00 O ATOM 0 H GLY A 397 -8.912 6.155 -2.173 1.00 0.00 H new ATOM 0 HA2 GLY A 397 -8.793 4.121 -0.035 1.00 0.00 H new ATOM 0 HA3 GLY A 397 -7.376 4.445 -1.014 1.00 0.00 H new ATOM 207 N TYR A 398 -7.798 5.867 1.536 1.00 0.00 N ATOM 208 CA TYR A 398 -7.442 6.962 2.421 1.00 0.00 C ATOM 209 C TYR A 398 -5.928 7.108 2.501 1.00 0.00 C ATOM 210 O TYR A 398 -5.258 6.427 3.280 1.00 0.00 O ATOM 211 CB TYR A 398 -8.059 6.756 3.803 1.00 0.00 C ATOM 212 CG TYR A 398 -9.566 6.897 3.800 1.00 0.00 C ATOM 213 CD1 TYR A 398 -10.159 8.146 3.666 1.00 0.00 C ATOM 214 CD2 TYR A 398 -10.394 5.789 3.918 1.00 0.00 C ATOM 215 CE1 TYR A 398 -11.530 8.285 3.648 1.00 0.00 C ATOM 216 CE2 TYR A 398 -11.769 5.921 3.905 1.00 0.00 C ATOM 217 CZ TYR A 398 -12.331 7.171 3.767 1.00 0.00 C ATOM 218 OH TYR A 398 -13.699 7.310 3.743 1.00 0.00 O ATOM 0 H TYR A 398 -7.898 4.960 1.992 1.00 0.00 H new ATOM 0 HA TYR A 398 -7.845 7.889 2.014 1.00 0.00 H new ATOM 0 HB2 TYR A 398 -7.792 5.765 4.171 1.00 0.00 H new ATOM 0 HB3 TYR A 398 -7.632 7.480 4.498 1.00 0.00 H new ATOM 0 HD1 TYR A 398 -9.535 9.023 3.574 1.00 0.00 H new ATOM 0 HD2 TYR A 398 -9.956 4.807 4.022 1.00 0.00 H new ATOM 0 HE1 TYR A 398 -11.974 9.263 3.541 1.00 0.00 H new ATOM 0 HE2 TYR A 398 -12.399 5.050 4.002 1.00 0.00 H new ATOM 0 HH TYR A 398 -14.119 6.430 3.837 1.00 0.00 H new ATOM 228 N ASN A 399 -5.405 8.017 1.690 1.00 0.00 N ATOM 229 CA ASN A 399 -3.967 8.193 1.523 1.00 0.00 C ATOM 230 C ASN A 399 -3.358 8.965 2.688 1.00 0.00 C ATOM 231 O ASN A 399 -2.944 10.114 2.538 1.00 0.00 O ATOM 232 CB ASN A 399 -3.678 8.930 0.213 1.00 0.00 C ATOM 233 CG ASN A 399 -4.145 8.163 -1.009 1.00 0.00 C ATOM 234 OD1 ASN A 399 -3.397 7.380 -1.588 1.00 0.00 O ATOM 235 ND2 ASN A 399 -5.386 8.389 -1.411 1.00 0.00 N ATOM 0 H ASN A 399 -5.967 8.656 1.127 1.00 0.00 H new ATOM 0 HA ASN A 399 -3.513 7.203 1.497 1.00 0.00 H new ATOM 0 HB2 ASN A 399 -4.167 9.904 0.234 1.00 0.00 H new ATOM 0 HB3 ASN A 399 -2.606 9.113 0.133 1.00 0.00 H new ATOM 0 HD21 ASN A 399 -5.753 7.904 -2.230 1.00 0.00 H new ATOM 0 HD22 ASN A 399 -5.975 9.048 -0.902 1.00 0.00 H new ATOM 242 N GLN A 400 -3.305 8.335 3.851 1.00 0.00 N ATOM 243 CA GLN A 400 -2.658 8.934 5.004 1.00 0.00 C ATOM 244 C GLN A 400 -1.146 8.779 4.905 1.00 0.00 C ATOM 245 O GLN A 400 -0.387 9.589 5.439 1.00 0.00 O ATOM 246 CB GLN A 400 -3.165 8.294 6.294 1.00 0.00 C ATOM 247 CG GLN A 400 -4.615 8.621 6.614 1.00 0.00 C ATOM 248 CD GLN A 400 -5.062 8.032 7.941 1.00 0.00 C ATOM 249 OE1 GLN A 400 -4.254 7.846 8.854 1.00 0.00 O ATOM 250 NE2 GLN A 400 -6.348 7.755 8.067 1.00 0.00 N ATOM 0 H GLN A 400 -3.702 7.411 4.020 1.00 0.00 H new ATOM 0 HA GLN A 400 -2.902 9.996 5.020 1.00 0.00 H new ATOM 0 HB2 GLN A 400 -3.054 7.212 6.219 1.00 0.00 H new ATOM 0 HB3 GLN A 400 -2.537 8.622 7.122 1.00 0.00 H new ATOM 0 HG2 GLN A 400 -4.744 9.703 6.638 1.00 0.00 H new ATOM 0 HG3 GLN A 400 -5.255 8.241 5.817 1.00 0.00 H new ATOM 0 HE21 GLN A 400 -6.985 7.923 7.288 1.00 0.00 H new ATOM 0 HE22 GLN A 400 -6.704 7.373 8.943 1.00 0.00 H new ATOM 259 N ASN A 401 -0.714 7.746 4.197 1.00 0.00 N ATOM 260 CA ASN A 401 0.704 7.427 4.086 1.00 0.00 C ATOM 261 C ASN A 401 1.244 7.737 2.693 1.00 0.00 C ATOM 262 O ASN A 401 2.337 7.304 2.330 1.00 0.00 O ATOM 263 CB ASN A 401 0.949 5.953 4.438 1.00 0.00 C ATOM 264 CG ASN A 401 -0.009 5.008 3.732 1.00 0.00 C ATOM 265 OD1 ASN A 401 -0.498 5.296 2.643 1.00 0.00 O ATOM 266 ND2 ASN A 401 -0.298 3.878 4.358 1.00 0.00 N ATOM 0 H ASN A 401 -1.328 7.110 3.688 1.00 0.00 H new ATOM 0 HA ASN A 401 1.241 8.056 4.796 1.00 0.00 H new ATOM 0 HB2 ASN A 401 1.973 5.687 4.175 1.00 0.00 H new ATOM 0 HB3 ASN A 401 0.853 5.821 5.516 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -0.946 3.213 3.936 1.00 0.00 H new ATOM 0 HD22 ASN A 401 0.128 3.672 5.262 1.00 0.00 H new ATOM 273 N TYR A 402 0.480 8.502 1.925 1.00 0.00 N ATOM 274 CA TYR A 402 0.904 8.910 0.591 1.00 0.00 C ATOM 275 C TYR A 402 2.040 9.926 0.671 1.00 0.00 C ATOM 276 O TYR A 402 1.972 10.894 1.433 1.00 0.00 O ATOM 277 CB TYR A 402 -0.287 9.483 -0.188 1.00 0.00 C ATOM 278 CG TYR A 402 0.087 10.355 -1.369 1.00 0.00 C ATOM 279 CD1 TYR A 402 0.498 9.794 -2.570 1.00 0.00 C ATOM 280 CD2 TYR A 402 0.021 11.741 -1.285 1.00 0.00 C ATOM 281 CE1 TYR A 402 0.835 10.587 -3.650 1.00 0.00 C ATOM 282 CE2 TYR A 402 0.356 12.539 -2.360 1.00 0.00 C ATOM 283 CZ TYR A 402 0.763 11.957 -3.539 1.00 0.00 C ATOM 284 OH TYR A 402 1.093 12.750 -4.616 1.00 0.00 O ATOM 0 H TYR A 402 -0.437 8.853 2.202 1.00 0.00 H new ATOM 0 HA TYR A 402 1.276 8.034 0.061 1.00 0.00 H new ATOM 0 HB2 TYR A 402 -0.901 8.656 -0.545 1.00 0.00 H new ATOM 0 HB3 TYR A 402 -0.904 10.066 0.496 1.00 0.00 H new ATOM 0 HD1 TYR A 402 0.555 8.719 -2.662 1.00 0.00 H new ATOM 0 HD2 TYR A 402 -0.298 12.202 -0.362 1.00 0.00 H new ATOM 0 HE1 TYR A 402 1.154 10.134 -4.577 1.00 0.00 H new ATOM 0 HE2 TYR A 402 0.299 13.614 -2.277 1.00 0.00 H new ATOM 0 HH TYR A 402 0.988 13.693 -4.372 1.00 0.00 H new ATOM 294 N GLY A 403 3.084 9.691 -0.114 1.00 0.00 N ATOM 295 CA GLY A 403 4.210 10.603 -0.147 1.00 0.00 C ATOM 296 C GLY A 403 5.322 10.173 0.783 1.00 0.00 C ATOM 297 O GLY A 403 6.222 10.953 1.094 1.00 0.00 O ATOM 0 H GLY A 403 3.171 8.883 -0.730 1.00 0.00 H new ATOM 0 HA2 GLY A 403 4.594 10.666 -1.165 1.00 0.00 H new ATOM 0 HA3 GLY A 403 3.874 11.602 0.129 1.00 0.00 H new ATOM 301 N ARG A 404 5.262 8.927 1.230 1.00 0.00 N ATOM 302 CA ARG A 404 6.262 8.403 2.147 1.00 0.00 C ATOM 303 C ARG A 404 7.255 7.497 1.437 1.00 0.00 C ATOM 304 O ARG A 404 6.959 6.934 0.383 1.00 0.00 O ATOM 305 CB ARG A 404 5.605 7.626 3.283 1.00 0.00 C ATOM 306 CG ARG A 404 4.717 8.474 4.170 1.00 0.00 C ATOM 307 CD ARG A 404 4.299 7.716 5.418 1.00 0.00 C ATOM 308 NE ARG A 404 5.414 7.555 6.348 1.00 0.00 N ATOM 309 CZ ARG A 404 5.336 6.931 7.522 1.00 0.00 C ATOM 310 NH1 ARG A 404 4.192 6.388 7.924 1.00 0.00 N ATOM 311 NH2 ARG A 404 6.412 6.855 8.294 1.00 0.00 N ATOM 0 H ARG A 404 4.533 8.262 0.973 1.00 0.00 H new ATOM 0 HA ARG A 404 6.798 9.261 2.553 1.00 0.00 H new ATOM 0 HB2 ARG A 404 5.012 6.815 2.861 1.00 0.00 H new ATOM 0 HB3 ARG A 404 6.382 7.168 3.895 1.00 0.00 H new ATOM 0 HG2 ARG A 404 5.246 9.384 4.454 1.00 0.00 H new ATOM 0 HG3 ARG A 404 3.831 8.781 3.614 1.00 0.00 H new ATOM 0 HD2 ARG A 404 3.486 8.248 5.912 1.00 0.00 H new ATOM 0 HD3 ARG A 404 3.914 6.736 5.137 1.00 0.00 H new ATOM 0 HE ARG A 404 6.316 7.948 6.079 1.00 0.00 H new ATOM 0 HH11 ARG A 404 3.364 6.447 7.332 1.00 0.00 H new ATOM 0 HH12 ARG A 404 4.142 5.912 8.825 1.00 0.00 H new ATOM 0 HH21 ARG A 404 7.290 7.273 7.987 1.00 0.00 H new ATOM 0 HH22 ARG A 404 6.361 6.379 9.195 1.00 0.00 H new ATOM 325 N LYS A 405 8.431 7.374 2.030 1.00 0.00 N ATOM 326 CA LYS A 405 9.452 6.466 1.559 1.00 0.00 C ATOM 327 C LYS A 405 9.787 5.464 2.651 1.00 0.00 C ATOM 328 O LYS A 405 10.117 5.845 3.776 1.00 0.00 O ATOM 329 CB LYS A 405 10.699 7.249 1.171 1.00 0.00 C ATOM 330 CG LYS A 405 10.495 8.133 -0.041 1.00 0.00 C ATOM 331 CD LYS A 405 11.666 9.078 -0.249 1.00 0.00 C ATOM 332 CE LYS A 405 11.385 10.069 -1.366 1.00 0.00 C ATOM 333 NZ LYS A 405 11.247 9.400 -2.689 1.00 0.00 N ATOM 0 H LYS A 405 8.701 7.907 2.857 1.00 0.00 H new ATOM 0 HA LYS A 405 9.083 5.931 0.684 1.00 0.00 H new ATOM 0 HB2 LYS A 405 11.010 7.866 2.014 1.00 0.00 H new ATOM 0 HB3 LYS A 405 11.511 6.550 0.970 1.00 0.00 H new ATOM 0 HG2 LYS A 405 10.367 7.512 -0.927 1.00 0.00 H new ATOM 0 HG3 LYS A 405 9.578 8.710 0.079 1.00 0.00 H new ATOM 0 HD2 LYS A 405 11.869 9.618 0.676 1.00 0.00 H new ATOM 0 HD3 LYS A 405 12.562 8.504 -0.486 1.00 0.00 H new ATOM 0 HE2 LYS A 405 10.471 10.618 -1.141 1.00 0.00 H new ATOM 0 HE3 LYS A 405 12.192 10.800 -1.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 405 11.683 9.992 -3.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 405 11.723 8.476 -2.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 405 10.239 9.264 -2.906 1.00 0.00 H new ATOM 347 N PHE A 406 9.690 4.193 2.319 1.00 0.00 N ATOM 348 CA PHE A 406 9.978 3.133 3.271 1.00 0.00 C ATOM 349 C PHE A 406 11.109 2.271 2.740 1.00 0.00 C ATOM 350 O PHE A 406 11.156 1.962 1.547 1.00 0.00 O ATOM 351 CB PHE A 406 8.745 2.254 3.535 1.00 0.00 C ATOM 352 CG PHE A 406 7.503 3.018 3.902 1.00 0.00 C ATOM 353 CD1 PHE A 406 7.222 3.314 5.225 1.00 0.00 C ATOM 354 CD2 PHE A 406 6.608 3.424 2.926 1.00 0.00 C ATOM 355 CE1 PHE A 406 6.073 4.002 5.567 1.00 0.00 C ATOM 356 CE2 PHE A 406 5.457 4.108 3.263 1.00 0.00 C ATOM 357 CZ PHE A 406 5.190 4.397 4.584 1.00 0.00 C ATOM 0 H PHE A 406 9.413 3.865 1.394 1.00 0.00 H new ATOM 0 HA PHE A 406 10.267 3.598 4.214 1.00 0.00 H new ATOM 0 HB2 PHE A 406 8.541 1.659 2.645 1.00 0.00 H new ATOM 0 HB3 PHE A 406 8.978 1.555 4.339 1.00 0.00 H new ATOM 0 HD1 PHE A 406 7.909 3.004 5.999 1.00 0.00 H new ATOM 0 HD2 PHE A 406 6.813 3.203 1.889 1.00 0.00 H new ATOM 0 HE1 PHE A 406 5.867 4.230 6.602 1.00 0.00 H new ATOM 0 HE2 PHE A 406 4.766 4.416 2.492 1.00 0.00 H new ATOM 0 HZ PHE A 406 4.290 4.932 4.849 1.00 0.00 H new ATOM 367 N VAL A 407 12.028 1.912 3.619 1.00 0.00 N ATOM 368 CA VAL A 407 13.128 1.038 3.252 1.00 0.00 C ATOM 369 C VAL A 407 12.613 -0.364 2.956 1.00 0.00 C ATOM 370 O VAL A 407 11.663 -0.836 3.580 1.00 0.00 O ATOM 371 CB VAL A 407 14.199 0.990 4.359 1.00 0.00 C ATOM 372 CG1 VAL A 407 14.830 2.361 4.534 1.00 0.00 C ATOM 373 CG2 VAL A 407 13.606 0.507 5.674 1.00 0.00 C ATOM 0 H VAL A 407 12.034 2.213 4.594 1.00 0.00 H new ATOM 0 HA VAL A 407 13.592 1.443 2.353 1.00 0.00 H new ATOM 0 HB VAL A 407 14.970 0.281 4.058 1.00 0.00 H new ATOM 0 HG11 VAL A 407 15.585 2.316 5.319 1.00 0.00 H new ATOM 0 HG12 VAL A 407 15.296 2.669 3.598 1.00 0.00 H new ATOM 0 HG13 VAL A 407 14.061 3.083 4.811 1.00 0.00 H new ATOM 0 HG21 VAL A 407 14.384 0.483 6.437 1.00 0.00 H new ATOM 0 HG22 VAL A 407 12.812 1.186 5.986 1.00 0.00 H new ATOM 0 HG23 VAL A 407 13.196 -0.494 5.542 1.00 0.00 H new ATOM 383 N GLN A 408 13.231 -1.012 1.986 1.00 0.00 N ATOM 384 CA GLN A 408 12.757 -2.302 1.512 1.00 0.00 C ATOM 385 C GLN A 408 12.895 -3.376 2.578 1.00 0.00 C ATOM 386 O GLN A 408 13.846 -3.375 3.362 1.00 0.00 O ATOM 387 CB GLN A 408 13.499 -2.716 0.249 1.00 0.00 C ATOM 388 CG GLN A 408 12.584 -3.315 -0.786 1.00 0.00 C ATOM 389 CD GLN A 408 13.255 -3.454 -2.109 1.00 0.00 C ATOM 390 OE1 GLN A 408 13.223 -2.544 -2.897 1.00 0.00 O ATOM 391 NE2 GLN A 408 13.841 -4.594 -2.383 1.00 0.00 N ATOM 0 H GLN A 408 14.064 -0.667 1.509 1.00 0.00 H new ATOM 0 HA GLN A 408 11.697 -2.195 1.280 1.00 0.00 H new ATOM 0 HB2 GLN A 408 14.002 -1.847 -0.175 1.00 0.00 H new ATOM 0 HB3 GLN A 408 14.274 -3.438 0.507 1.00 0.00 H new ATOM 0 HG2 GLN A 408 12.244 -4.294 -0.447 1.00 0.00 H new ATOM 0 HG3 GLN A 408 11.698 -2.689 -0.893 1.00 0.00 H new ATOM 0 HE21 GLN A 408 13.848 -5.343 -1.691 1.00 0.00 H new ATOM 0 HE22 GLN A 408 14.290 -4.732 -3.289 1.00 0.00 H new ATOM 400 N GLY A 409 11.933 -4.286 2.595 1.00 0.00 N ATOM 401 CA GLY A 409 11.889 -5.310 3.619 1.00 0.00 C ATOM 402 C GLY A 409 10.875 -4.951 4.680 1.00 0.00 C ATOM 403 O GLY A 409 10.756 -5.619 5.709 1.00 0.00 O ATOM 0 H GLY A 409 11.176 -4.334 1.913 1.00 0.00 H new ATOM 0 HA2 GLY A 409 11.632 -6.270 3.171 1.00 0.00 H new ATOM 0 HA3 GLY A 409 12.874 -5.423 4.072 1.00 0.00 H new ATOM 407 N LYS A 410 10.142 -3.885 4.400 1.00 0.00 N ATOM 408 CA LYS A 410 9.146 -3.345 5.301 1.00 0.00 C ATOM 409 C LYS A 410 7.758 -3.647 4.768 1.00 0.00 C ATOM 410 O LYS A 410 7.627 -4.201 3.681 1.00 0.00 O ATOM 411 CB LYS A 410 9.360 -1.839 5.414 1.00 0.00 C ATOM 412 CG LYS A 410 10.493 -1.455 6.354 1.00 0.00 C ATOM 413 CD LYS A 410 10.185 -1.831 7.793 1.00 0.00 C ATOM 414 CE LYS A 410 11.398 -1.647 8.691 1.00 0.00 C ATOM 415 NZ LYS A 410 12.467 -2.635 8.389 1.00 0.00 N ATOM 0 H LYS A 410 10.226 -3.366 3.526 1.00 0.00 H new ATOM 0 HA LYS A 410 9.241 -3.800 6.287 1.00 0.00 H new ATOM 0 HB2 LYS A 410 9.568 -1.434 4.423 1.00 0.00 H new ATOM 0 HB3 LYS A 410 8.437 -1.374 5.761 1.00 0.00 H new ATOM 0 HG2 LYS A 410 11.411 -1.950 6.038 1.00 0.00 H new ATOM 0 HG3 LYS A 410 10.671 -0.382 6.289 1.00 0.00 H new ATOM 0 HD2 LYS A 410 9.362 -1.218 8.162 1.00 0.00 H new ATOM 0 HD3 LYS A 410 9.854 -2.869 7.836 1.00 0.00 H new ATOM 0 HE2 LYS A 410 11.791 -0.638 8.568 1.00 0.00 H new ATOM 0 HE3 LYS A 410 11.096 -1.746 9.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 410 13.147 -2.662 9.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 410 12.044 -3.577 8.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 410 12.959 -2.358 7.515 1.00 0.00 H new ATOM 429 N SER A 411 6.728 -3.297 5.515 1.00 0.00 N ATOM 430 CA SER A 411 5.373 -3.505 5.048 1.00 0.00 C ATOM 431 C SER A 411 4.419 -2.501 5.653 1.00 0.00 C ATOM 432 O SER A 411 4.575 -2.060 6.796 1.00 0.00 O ATOM 433 CB SER A 411 4.901 -4.920 5.356 1.00 0.00 C ATOM 434 OG SER A 411 3.614 -5.172 4.814 1.00 0.00 O ATOM 0 H SER A 411 6.803 -2.871 6.439 1.00 0.00 H new ATOM 0 HA SER A 411 5.379 -3.364 3.967 1.00 0.00 H new ATOM 0 HB2 SER A 411 5.614 -5.638 4.951 1.00 0.00 H new ATOM 0 HB3 SER A 411 4.877 -5.069 6.435 1.00 0.00 H new ATOM 0 HG SER A 411 3.342 -6.089 5.029 1.00 0.00 H new ATOM 440 N ILE A 412 3.426 -2.178 4.859 1.00 0.00 N ATOM 441 CA ILE A 412 2.387 -1.231 5.213 1.00 0.00 C ATOM 442 C ILE A 412 1.489 -0.963 4.024 1.00 0.00 C ATOM 443 O ILE A 412 1.938 -0.791 2.894 1.00 0.00 O ATOM 444 CB ILE A 412 2.948 0.112 5.746 1.00 0.00 C ATOM 445 CG1 ILE A 412 1.821 1.004 6.274 1.00 0.00 C ATOM 446 CG2 ILE A 412 3.720 0.846 4.662 1.00 0.00 C ATOM 447 CD1 ILE A 412 1.047 0.392 7.420 1.00 0.00 C ATOM 0 H ILE A 412 3.312 -2.574 3.926 1.00 0.00 H new ATOM 0 HA ILE A 412 1.816 -1.690 6.020 1.00 0.00 H new ATOM 0 HB ILE A 412 3.628 -0.117 6.567 1.00 0.00 H new ATOM 0 HG12 ILE A 412 2.244 1.954 6.600 1.00 0.00 H new ATOM 0 HG13 ILE A 412 1.132 1.225 5.459 1.00 0.00 H new ATOM 0 HG21 ILE A 412 4.103 1.785 5.061 1.00 0.00 H new ATOM 0 HG22 ILE A 412 4.552 0.228 4.326 1.00 0.00 H new ATOM 0 HG23 ILE A 412 3.059 1.052 3.821 1.00 0.00 H new ATOM 0 HD11 ILE A 412 0.266 1.081 7.741 1.00 0.00 H new ATOM 0 HD12 ILE A 412 0.594 -0.544 7.094 1.00 0.00 H new ATOM 0 HD13 ILE A 412 1.723 0.197 8.253 1.00 0.00 H new ATOM 459 N ASP A 413 0.211 -0.992 4.298 1.00 0.00 N ATOM 460 CA ASP A 413 -0.782 -0.611 3.343 1.00 0.00 C ATOM 461 C ASP A 413 -1.726 0.348 4.005 1.00 0.00 C ATOM 462 O ASP A 413 -1.324 1.180 4.819 1.00 0.00 O ATOM 463 CB ASP A 413 -1.490 -1.819 2.737 1.00 0.00 C ATOM 464 CG ASP A 413 -2.531 -1.546 1.650 1.00 0.00 C ATOM 465 OD1 ASP A 413 -2.157 -1.174 0.523 1.00 0.00 O ATOM 466 OD2 ASP A 413 -3.733 -1.724 1.936 1.00 0.00 O ATOM 0 H ASP A 413 -0.167 -1.284 5.199 1.00 0.00 H new ATOM 0 HA ASP A 413 -0.308 -0.113 2.497 1.00 0.00 H new ATOM 0 HB2 ASP A 413 -0.731 -2.481 2.320 1.00 0.00 H new ATOM 0 HB3 ASP A 413 -1.979 -2.364 3.544 1.00 0.00 H new ATOM 471 N VAL A 414 -2.967 0.199 3.696 1.00 0.00 N ATOM 472 CA VAL A 414 -3.871 1.325 3.725 1.00 0.00 C ATOM 473 C VAL A 414 -5.283 0.947 4.119 1.00 0.00 C ATOM 474 O VAL A 414 -5.766 -0.147 3.822 1.00 0.00 O ATOM 475 CB VAL A 414 -3.929 1.961 2.322 1.00 0.00 C ATOM 476 CG1 VAL A 414 -4.139 3.464 2.418 1.00 0.00 C ATOM 477 CG2 VAL A 414 -2.670 1.623 1.522 1.00 0.00 C ATOM 0 H VAL A 414 -3.391 -0.686 3.419 1.00 0.00 H new ATOM 0 HA VAL A 414 -3.485 2.015 4.475 1.00 0.00 H new ATOM 0 HB VAL A 414 -4.783 1.542 1.790 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -4.177 3.891 1.416 1.00 0.00 H new ATOM 0 HG12 VAL A 414 -5.077 3.668 2.935 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -3.314 3.912 2.972 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -2.732 2.082 0.535 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -1.793 2.004 2.045 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -2.586 0.542 1.415 1.00 0.00 H new ATOM 487 N ALA A 415 -5.939 1.876 4.786 1.00 0.00 N ATOM 488 CA ALA A 415 -7.362 1.794 4.997 1.00 0.00 C ATOM 489 C ALA A 415 -8.072 2.400 3.794 1.00 0.00 C ATOM 490 O ALA A 415 -8.332 3.604 3.740 1.00 0.00 O ATOM 491 CB ALA A 415 -7.759 2.505 6.283 1.00 0.00 C ATOM 0 H ALA A 415 -5.500 2.702 5.193 1.00 0.00 H new ATOM 0 HA ALA A 415 -7.657 0.750 5.101 1.00 0.00 H new ATOM 0 HB1 ALA A 415 -8.838 2.430 6.422 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -7.251 2.040 7.128 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -7.473 3.555 6.221 1.00 0.00 H new ATOM 497 N CYS A 416 -8.323 1.577 2.795 1.00 0.00 N ATOM 498 CA CYS A 416 -9.048 2.023 1.622 1.00 0.00 C ATOM 499 C CYS A 416 -10.542 2.041 1.904 1.00 0.00 C ATOM 500 O CYS A 416 -10.983 1.504 2.921 1.00 0.00 O ATOM 501 CB CYS A 416 -8.697 1.151 0.411 1.00 0.00 C ATOM 502 SG CYS A 416 -7.140 1.655 -0.401 1.00 0.00 S ATOM 0 H CYS A 416 -8.036 0.598 2.772 1.00 0.00 H new ATOM 0 HA CYS A 416 -8.749 3.043 1.380 1.00 0.00 H new ATOM 0 HB2 CYS A 416 -8.615 0.112 0.730 1.00 0.00 H new ATOM 0 HB3 CYS A 416 -9.510 1.199 -0.313 1.00 0.00 H new ATOM 507 N HIS A 417 -11.314 2.672 1.022 1.00 0.00 N ATOM 508 CA HIS A 417 -12.754 2.844 1.254 1.00 0.00 C ATOM 509 C HIS A 417 -13.440 1.510 1.527 1.00 0.00 C ATOM 510 O HIS A 417 -12.940 0.451 1.153 1.00 0.00 O ATOM 511 CB HIS A 417 -13.438 3.543 0.075 1.00 0.00 C ATOM 512 CG HIS A 417 -13.193 5.019 0.018 1.00 0.00 C ATOM 513 ND1 HIS A 417 -14.167 5.928 -0.321 1.00 0.00 N ATOM 514 CD2 HIS A 417 -12.077 5.742 0.262 1.00 0.00 C ATOM 515 CE1 HIS A 417 -13.664 7.145 -0.285 1.00 0.00 C ATOM 516 NE2 HIS A 417 -12.396 7.058 0.066 1.00 0.00 N ATOM 0 H HIS A 417 -10.975 3.071 0.147 1.00 0.00 H new ATOM 0 HA HIS A 417 -12.853 3.476 2.137 1.00 0.00 H new ATOM 0 HB2 HIS A 417 -13.090 3.091 -0.854 1.00 0.00 H new ATOM 0 HB3 HIS A 417 -14.512 3.365 0.133 1.00 0.00 H new ATOM 0 HD2 HIS A 417 -11.113 5.353 0.557 1.00 0.00 H new ATOM 0 HE1 HIS A 417 -14.198 8.057 -0.505 1.00 0.00 H new ATOM 0 HE2 HIS A 417 -11.756 7.845 0.174 1.00 0.00 H new ATOM 525 N PRO A 418 -14.595 1.564 2.201 1.00 0.00 N ATOM 526 CA PRO A 418 -15.369 0.379 2.586 1.00 0.00 C ATOM 527 C PRO A 418 -15.645 -0.547 1.411 1.00 0.00 C ATOM 528 O PRO A 418 -16.414 -0.213 0.507 1.00 0.00 O ATOM 529 CB PRO A 418 -16.677 0.973 3.108 1.00 0.00 C ATOM 530 CG PRO A 418 -16.301 2.324 3.589 1.00 0.00 C ATOM 531 CD PRO A 418 -15.253 2.803 2.633 1.00 0.00 C ATOM 0 HA PRO A 418 -14.836 -0.236 3.311 1.00 0.00 H new ATOM 0 HB2 PRO A 418 -17.431 1.026 2.323 1.00 0.00 H new ATOM 0 HB3 PRO A 418 -17.096 0.367 3.911 1.00 0.00 H new ATOM 0 HG2 PRO A 418 -17.162 2.993 3.597 1.00 0.00 H new ATOM 0 HG3 PRO A 418 -15.917 2.286 4.608 1.00 0.00 H new ATOM 0 HD2 PRO A 418 -15.692 3.339 1.792 1.00 0.00 H new ATOM 0 HD3 PRO A 418 -14.551 3.484 3.114 1.00 0.00 H new ATOM 539 N GLY A 419 -15.015 -1.708 1.432 1.00 0.00 N ATOM 540 CA GLY A 419 -15.193 -2.668 0.364 1.00 0.00 C ATOM 541 C GLY A 419 -13.990 -2.751 -0.554 1.00 0.00 C ATOM 542 O GLY A 419 -13.976 -3.546 -1.491 1.00 0.00 O ATOM 0 H GLY A 419 -14.380 -2.005 2.173 1.00 0.00 H new ATOM 0 HA2 GLY A 419 -15.386 -3.651 0.793 1.00 0.00 H new ATOM 0 HA3 GLY A 419 -16.073 -2.397 -0.220 1.00 0.00 H new ATOM 546 N TYR A 420 -12.981 -1.930 -0.296 1.00 0.00 N ATOM 547 CA TYR A 420 -11.758 -1.958 -1.076 1.00 0.00 C ATOM 548 C TYR A 420 -10.606 -2.408 -0.206 1.00 0.00 C ATOM 549 O TYR A 420 -10.382 -1.865 0.876 1.00 0.00 O ATOM 550 CB TYR A 420 -11.449 -0.585 -1.666 1.00 0.00 C ATOM 551 CG TYR A 420 -12.545 -0.062 -2.565 1.00 0.00 C ATOM 552 CD1 TYR A 420 -12.566 -0.375 -3.915 1.00 0.00 C ATOM 553 CD2 TYR A 420 -13.565 0.732 -2.059 1.00 0.00 C ATOM 554 CE1 TYR A 420 -13.573 0.093 -4.741 1.00 0.00 C ATOM 555 CE2 TYR A 420 -14.577 1.200 -2.874 1.00 0.00 C ATOM 556 CZ TYR A 420 -14.578 0.878 -4.213 1.00 0.00 C ATOM 557 OH TYR A 420 -15.588 1.343 -5.025 1.00 0.00 O ATOM 0 H TYR A 420 -12.989 -1.235 0.451 1.00 0.00 H new ATOM 0 HA TYR A 420 -11.895 -2.661 -1.898 1.00 0.00 H new ATOM 0 HB2 TYR A 420 -11.285 0.123 -0.854 1.00 0.00 H new ATOM 0 HB3 TYR A 420 -10.519 -0.641 -2.232 1.00 0.00 H new ATOM 0 HD1 TYR A 420 -11.784 -0.994 -4.329 1.00 0.00 H new ATOM 0 HD2 TYR A 420 -13.567 0.988 -1.010 1.00 0.00 H new ATOM 0 HE1 TYR A 420 -13.572 -0.155 -5.792 1.00 0.00 H new ATOM 0 HE2 TYR A 420 -15.364 1.815 -2.463 1.00 0.00 H new ATOM 0 HH TYR A 420 -16.214 1.879 -4.494 1.00 0.00 H new ATOM 567 N ALA A 421 -9.874 -3.388 -0.689 1.00 0.00 N ATOM 568 CA ALA A 421 -8.795 -3.984 0.082 1.00 0.00 C ATOM 569 C ALA A 421 -7.868 -4.762 -0.827 1.00 0.00 C ATOM 570 O ALA A 421 -8.230 -5.093 -1.957 1.00 0.00 O ATOM 571 CB ALA A 421 -9.356 -4.894 1.165 1.00 0.00 C ATOM 0 H ALA A 421 -10.004 -3.793 -1.616 1.00 0.00 H new ATOM 0 HA ALA A 421 -8.228 -3.185 0.559 1.00 0.00 H new ATOM 0 HB1 ALA A 421 -8.535 -5.332 1.733 1.00 0.00 H new ATOM 0 HB2 ALA A 421 -9.992 -4.314 1.834 1.00 0.00 H new ATOM 0 HB3 ALA A 421 -9.943 -5.688 0.705 1.00 0.00 H new ATOM 577 N LEU A 422 -6.668 -5.025 -0.341 1.00 0.00 N ATOM 578 CA LEU A 422 -5.705 -5.828 -1.079 1.00 0.00 C ATOM 579 C LEU A 422 -6.232 -7.233 -1.319 1.00 0.00 C ATOM 580 O LEU A 422 -6.929 -7.806 -0.475 1.00 0.00 O ATOM 581 CB LEU A 422 -4.390 -5.944 -0.321 1.00 0.00 C ATOM 582 CG LEU A 422 -3.614 -4.645 -0.118 1.00 0.00 C ATOM 583 CD1 LEU A 422 -2.300 -4.920 0.590 1.00 0.00 C ATOM 584 CD2 LEU A 422 -3.369 -3.956 -1.448 1.00 0.00 C ATOM 0 H LEU A 422 -6.335 -4.694 0.564 1.00 0.00 H new ATOM 0 HA LEU A 422 -5.542 -5.323 -2.031 1.00 0.00 H new ATOM 0 HB2 LEU A 422 -4.596 -6.377 0.658 1.00 0.00 H new ATOM 0 HB3 LEU A 422 -3.749 -6.647 -0.852 1.00 0.00 H new ATOM 0 HG LEU A 422 -4.211 -3.980 0.506 1.00 0.00 H new ATOM 0 HD11 LEU A 422 -1.758 -3.984 0.728 1.00 0.00 H new ATOM 0 HD12 LEU A 422 -2.498 -5.371 1.562 1.00 0.00 H new ATOM 0 HD13 LEU A 422 -1.699 -5.602 -0.011 1.00 0.00 H new ATOM 0 HD21 LEU A 422 -2.815 -3.032 -1.283 1.00 0.00 H new ATOM 0 HD22 LEU A 422 -2.792 -4.614 -2.098 1.00 0.00 H new ATOM 0 HD23 LEU A 422 -4.324 -3.726 -1.920 1.00 0.00 H new ATOM 596 N PRO A 423 -5.889 -7.809 -2.477 1.00 0.00 N ATOM 597 CA PRO A 423 -6.198 -9.197 -2.788 1.00 0.00 C ATOM 598 C PRO A 423 -5.504 -10.144 -1.817 1.00 0.00 C ATOM 599 O PRO A 423 -4.509 -9.778 -1.186 1.00 0.00 O ATOM 600 CB PRO A 423 -5.658 -9.390 -4.209 1.00 0.00 C ATOM 601 CG PRO A 423 -5.490 -8.015 -4.752 1.00 0.00 C ATOM 602 CD PRO A 423 -5.180 -7.145 -3.575 1.00 0.00 C ATOM 0 HA PRO A 423 -7.264 -9.412 -2.708 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -4.710 -9.929 -4.200 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -6.350 -9.972 -4.818 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -4.685 -7.981 -5.486 1.00 0.00 H new ATOM 0 HG3 PRO A 423 -6.396 -7.681 -5.257 1.00 0.00 H new ATOM 0 HD2 PRO A 423 -4.108 -7.088 -3.387 1.00 0.00 H new ATOM 0 HD3 PRO A 423 -5.532 -6.124 -3.724 1.00 0.00 H new ATOM 610 N LYS A 424 -6.042 -11.351 -1.707 1.00 0.00 N ATOM 611 CA LYS A 424 -5.551 -12.368 -0.775 1.00 0.00 C ATOM 612 C LYS A 424 -5.843 -11.957 0.666 1.00 0.00 C ATOM 613 O LYS A 424 -5.204 -12.436 1.605 1.00 0.00 O ATOM 614 CB LYS A 424 -4.050 -12.626 -0.963 1.00 0.00 C ATOM 615 CG LYS A 424 -3.675 -13.065 -2.370 1.00 0.00 C ATOM 616 CD LYS A 424 -4.300 -14.399 -2.737 1.00 0.00 C ATOM 617 CE LYS A 424 -3.919 -14.811 -4.150 1.00 0.00 C ATOM 618 NZ LYS A 424 -4.439 -16.158 -4.509 1.00 0.00 N ATOM 0 H LYS A 424 -6.838 -11.659 -2.265 1.00 0.00 H new ATOM 0 HA LYS A 424 -6.078 -13.297 -0.991 1.00 0.00 H new ATOM 0 HB2 LYS A 424 -3.501 -11.717 -0.717 1.00 0.00 H new ATOM 0 HB3 LYS A 424 -3.731 -13.392 -0.256 1.00 0.00 H new ATOM 0 HG2 LYS A 424 -3.996 -12.306 -3.084 1.00 0.00 H new ATOM 0 HG3 LYS A 424 -2.590 -13.139 -2.449 1.00 0.00 H new ATOM 0 HD2 LYS A 424 -3.974 -15.163 -2.032 1.00 0.00 H new ATOM 0 HD3 LYS A 424 -5.385 -14.331 -2.655 1.00 0.00 H new ATOM 0 HE2 LYS A 424 -4.305 -14.076 -4.856 1.00 0.00 H new ATOM 0 HE3 LYS A 424 -2.833 -14.806 -4.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 424 -4.153 -16.393 -5.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 424 -4.051 -16.866 -3.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 424 -5.477 -16.158 -4.444 1.00 0.00 H new ATOM 632 N ALA A 425 -6.822 -11.063 0.820 1.00 0.00 N ATOM 633 CA ALA A 425 -7.259 -10.577 2.128 1.00 0.00 C ATOM 634 C ALA A 425 -6.112 -9.925 2.890 1.00 0.00 C ATOM 635 O ALA A 425 -5.848 -10.255 4.046 1.00 0.00 O ATOM 636 CB ALA A 425 -7.879 -11.706 2.945 1.00 0.00 C ATOM 0 H ALA A 425 -7.335 -10.655 0.038 1.00 0.00 H new ATOM 0 HA ALA A 425 -8.021 -9.816 1.961 1.00 0.00 H new ATOM 0 HB1 ALA A 425 -8.197 -11.322 3.914 1.00 0.00 H new ATOM 0 HB2 ALA A 425 -8.741 -12.108 2.414 1.00 0.00 H new ATOM 0 HB3 ALA A 425 -7.142 -12.496 3.092 1.00 0.00 H new ATOM 642 N GLN A 426 -5.431 -9.003 2.227 1.00 0.00 N ATOM 643 CA GLN A 426 -4.330 -8.276 2.834 1.00 0.00 C ATOM 644 C GLN A 426 -4.730 -6.826 3.072 1.00 0.00 C ATOM 645 O GLN A 426 -5.690 -6.339 2.473 1.00 0.00 O ATOM 646 CB GLN A 426 -3.101 -8.335 1.929 1.00 0.00 C ATOM 647 CG GLN A 426 -2.601 -9.745 1.667 1.00 0.00 C ATOM 648 CD GLN A 426 -1.412 -9.785 0.724 1.00 0.00 C ATOM 649 OE1 GLN A 426 -1.335 -8.825 -0.188 1.00 0.00 O flip ATOM 650 NE2 GLN A 426 -0.568 -10.673 0.810 1.00 0.00 N flip ATOM 0 H GLN A 426 -5.625 -8.740 1.261 1.00 0.00 H new ATOM 0 HA GLN A 426 -4.088 -8.739 3.791 1.00 0.00 H new ATOM 0 HB2 GLN A 426 -3.339 -7.861 0.977 1.00 0.00 H new ATOM 0 HB3 GLN A 426 -2.299 -7.753 2.383 1.00 0.00 H new ATOM 0 HG2 GLN A 426 -2.323 -10.208 2.614 1.00 0.00 H new ATOM 0 HG3 GLN A 426 -3.412 -10.340 1.247 1.00 0.00 H new ATOM 0 HE21 GLN A 426 -0.659 -11.396 1.524 1.00 0.00 H new ATOM 0 HE22 GLN A 426 0.224 -10.688 0.167 1.00 0.00 H new ATOM 659 N THR A 427 -4.008 -6.148 3.950 1.00 0.00 N ATOM 660 CA THR A 427 -4.263 -4.739 4.221 1.00 0.00 C ATOM 661 C THR A 427 -2.963 -3.970 4.425 1.00 0.00 C ATOM 662 O THR A 427 -2.981 -2.813 4.879 1.00 0.00 O ATOM 663 CB THR A 427 -5.167 -4.556 5.456 1.00 0.00 C ATOM 664 OG1 THR A 427 -4.805 -5.499 6.475 1.00 0.00 O ATOM 665 CG2 THR A 427 -6.635 -4.722 5.089 1.00 0.00 C ATOM 0 H THR A 427 -3.240 -6.549 4.488 1.00 0.00 H new ATOM 0 HA THR A 427 -4.778 -4.338 3.348 1.00 0.00 H new ATOM 0 HB THR A 427 -5.023 -3.544 5.836 1.00 0.00 H new ATOM 0 HG1 THR A 427 -5.383 -5.374 7.256 1.00 0.00 H new ATOM 0 HG21 THR A 427 -7.250 -4.588 5.979 1.00 0.00 H new ATOM 0 HG22 THR A 427 -6.910 -3.977 4.342 1.00 0.00 H new ATOM 0 HG23 THR A 427 -6.798 -5.720 4.683 1.00 0.00 H new ATOM 673 N THR A 428 -1.840 -4.611 4.067 1.00 0.00 N ATOM 674 CA THR A 428 -0.535 -4.018 4.160 1.00 0.00 C ATOM 675 C THR A 428 0.403 -4.540 3.065 1.00 0.00 C ATOM 676 O THR A 428 0.576 -5.747 2.895 1.00 0.00 O ATOM 677 CB THR A 428 0.086 -4.243 5.526 1.00 0.00 C ATOM 678 OG1 THR A 428 -0.467 -5.415 6.144 1.00 0.00 O ATOM 679 CG2 THR A 428 -0.134 -3.024 6.404 1.00 0.00 C ATOM 0 H THR A 428 -1.833 -5.564 3.704 1.00 0.00 H new ATOM 0 HA THR A 428 -0.669 -2.946 4.016 1.00 0.00 H new ATOM 0 HB THR A 428 1.158 -4.397 5.402 1.00 0.00 H new ATOM 0 HG1 THR A 428 -0.055 -5.547 7.023 1.00 0.00 H new ATOM 0 HG21 THR A 428 0.315 -3.195 7.382 1.00 0.00 H new ATOM 0 HG22 THR A 428 0.328 -2.153 5.940 1.00 0.00 H new ATOM 0 HG23 THR A 428 -1.203 -2.848 6.521 1.00 0.00 H new ATOM 687 N VAL A 429 0.981 -3.608 2.310 1.00 0.00 N ATOM 688 CA VAL A 429 1.877 -3.933 1.203 1.00 0.00 C ATOM 689 C VAL A 429 3.318 -4.001 1.672 1.00 0.00 C ATOM 690 O VAL A 429 3.777 -3.146 2.415 1.00 0.00 O ATOM 691 CB VAL A 429 1.797 -2.871 0.085 1.00 0.00 C ATOM 692 CG1 VAL A 429 2.224 -3.445 -1.240 1.00 0.00 C ATOM 693 CG2 VAL A 429 0.414 -2.287 -0.030 1.00 0.00 C ATOM 0 H VAL A 429 0.841 -2.607 2.448 1.00 0.00 H new ATOM 0 HA VAL A 429 1.558 -4.902 0.819 1.00 0.00 H new ATOM 0 HB VAL A 429 2.483 -2.069 0.358 1.00 0.00 H new ATOM 0 HG11 VAL A 429 2.158 -2.675 -2.009 1.00 0.00 H new ATOM 0 HG12 VAL A 429 3.253 -3.799 -1.169 1.00 0.00 H new ATOM 0 HG13 VAL A 429 1.571 -4.277 -1.503 1.00 0.00 H new ATOM 0 HG21 VAL A 429 0.398 -1.544 -0.827 1.00 0.00 H new ATOM 0 HG22 VAL A 429 -0.298 -3.080 -0.259 1.00 0.00 H new ATOM 0 HG23 VAL A 429 0.139 -1.814 0.913 1.00 0.00 H new ATOM 703 N THR A 430 4.031 -5.009 1.218 1.00 0.00 N ATOM 704 CA THR A 430 5.429 -5.157 1.545 1.00 0.00 C ATOM 705 C THR A 430 6.265 -4.269 0.629 1.00 0.00 C ATOM 706 O THR A 430 6.048 -4.242 -0.573 1.00 0.00 O ATOM 707 CB THR A 430 5.849 -6.630 1.383 1.00 0.00 C ATOM 708 OG1 THR A 430 5.014 -7.460 2.200 1.00 0.00 O ATOM 709 CG2 THR A 430 7.312 -6.846 1.753 1.00 0.00 C ATOM 0 H THR A 430 3.659 -5.744 0.616 1.00 0.00 H new ATOM 0 HA THR A 430 5.593 -4.856 2.580 1.00 0.00 H new ATOM 0 HB THR A 430 5.730 -6.899 0.334 1.00 0.00 H new ATOM 0 HG1 THR A 430 5.281 -8.397 2.095 1.00 0.00 H new ATOM 0 HG21 THR A 430 7.568 -7.898 1.625 1.00 0.00 H new ATOM 0 HG22 THR A 430 7.944 -6.237 1.107 1.00 0.00 H new ATOM 0 HG23 THR A 430 7.471 -6.558 2.792 1.00 0.00 H new ATOM 717 N CYS A 431 7.185 -3.518 1.196 1.00 0.00 N ATOM 718 CA CYS A 431 8.072 -2.685 0.402 1.00 0.00 C ATOM 719 C CYS A 431 9.148 -3.538 -0.225 1.00 0.00 C ATOM 720 O CYS A 431 10.020 -4.043 0.484 1.00 0.00 O ATOM 721 CB CYS A 431 8.731 -1.611 1.265 1.00 0.00 C ATOM 722 SG CYS A 431 10.035 -0.661 0.411 1.00 0.00 S ATOM 0 H CYS A 431 7.341 -3.465 2.203 1.00 0.00 H new ATOM 0 HA CYS A 431 7.478 -2.201 -0.373 1.00 0.00 H new ATOM 0 HB2 CYS A 431 7.964 -0.920 1.615 1.00 0.00 H new ATOM 0 HB3 CYS A 431 9.161 -2.084 2.148 1.00 0.00 H new ATOM 727 N MET A 432 9.080 -3.721 -1.542 1.00 0.00 N ATOM 728 CA MET A 432 10.121 -4.437 -2.251 1.00 0.00 C ATOM 729 C MET A 432 10.307 -3.933 -3.663 1.00 0.00 C ATOM 730 O MET A 432 9.380 -3.434 -4.297 1.00 0.00 O ATOM 731 CB MET A 432 9.894 -5.930 -2.255 1.00 0.00 C ATOM 732 CG MET A 432 10.194 -6.576 -0.929 1.00 0.00 C ATOM 733 SD MET A 432 10.654 -8.312 -1.077 1.00 0.00 S ATOM 734 CE MET A 432 12.160 -8.189 -2.040 1.00 0.00 C ATOM 0 H MET A 432 8.318 -3.384 -2.130 1.00 0.00 H new ATOM 0 HA MET A 432 11.040 -4.239 -1.699 1.00 0.00 H new ATOM 0 HB2 MET A 432 8.858 -6.133 -2.525 1.00 0.00 H new ATOM 0 HB3 MET A 432 10.519 -6.385 -3.024 1.00 0.00 H new ATOM 0 HG2 MET A 432 11.003 -6.032 -0.441 1.00 0.00 H new ATOM 0 HG3 MET A 432 9.319 -6.492 -0.284 1.00 0.00 H new ATOM 0 HE1 MET A 432 12.786 -9.061 -1.849 1.00 0.00 H new ATOM 0 HE2 MET A 432 11.911 -8.146 -3.100 1.00 0.00 H new ATOM 0 HE3 MET A 432 12.700 -7.285 -1.757 1.00 0.00 H new ATOM 744 N GLU A 433 11.533 -4.132 -4.121 1.00 0.00 N ATOM 745 CA GLU A 433 12.112 -3.500 -5.291 1.00 0.00 C ATOM 746 C GLU A 433 11.525 -2.116 -5.587 1.00 0.00 C ATOM 747 O GLU A 433 11.266 -1.777 -6.740 1.00 0.00 O ATOM 748 CB GLU A 433 12.033 -4.437 -6.462 1.00 0.00 C ATOM 749 CG GLU A 433 13.371 -5.078 -6.794 1.00 0.00 C ATOM 750 CD GLU A 433 13.369 -5.810 -8.118 1.00 0.00 C ATOM 751 OE1 GLU A 433 12.772 -6.902 -8.202 1.00 0.00 O ATOM 752 OE2 GLU A 433 13.979 -5.297 -9.080 1.00 0.00 O ATOM 0 H GLU A 433 12.182 -4.771 -3.662 1.00 0.00 H new ATOM 0 HA GLU A 433 13.163 -3.303 -5.082 1.00 0.00 H new ATOM 0 HB2 GLU A 433 11.304 -5.218 -6.248 1.00 0.00 H new ATOM 0 HB3 GLU A 433 11.670 -3.892 -7.334 1.00 0.00 H new ATOM 0 HG2 GLU A 433 14.141 -4.307 -6.814 1.00 0.00 H new ATOM 0 HG3 GLU A 433 13.639 -5.776 -6.001 1.00 0.00 H new ATOM 759 N ASN A 434 11.353 -1.318 -4.515 1.00 0.00 N ATOM 760 CA ASN A 434 10.806 0.052 -4.588 1.00 0.00 C ATOM 761 C ASN A 434 9.342 0.067 -5.053 1.00 0.00 C ATOM 762 O ASN A 434 8.619 1.037 -4.829 1.00 0.00 O ATOM 763 CB ASN A 434 11.676 0.924 -5.511 1.00 0.00 C ATOM 764 CG ASN A 434 11.070 2.285 -5.822 1.00 0.00 C ATOM 765 OD1 ASN A 434 10.362 2.447 -6.816 1.00 0.00 O ATOM 766 ND2 ASN A 434 11.351 3.275 -4.989 1.00 0.00 N ATOM 0 H ASN A 434 11.591 -1.608 -3.567 1.00 0.00 H new ATOM 0 HA ASN A 434 10.827 0.467 -3.580 1.00 0.00 H new ATOM 0 HB2 ASN A 434 12.651 1.069 -5.045 1.00 0.00 H new ATOM 0 HB3 ASN A 434 11.845 0.390 -6.446 1.00 0.00 H new ATOM 0 HD21 ASN A 434 10.977 4.208 -5.161 1.00 0.00 H new ATOM 0 HD22 ASN A 434 11.941 3.104 -4.175 1.00 0.00 H new ATOM 773 N GLY A 435 8.899 -1.025 -5.654 1.00 0.00 N ATOM 774 CA GLY A 435 7.594 -1.053 -6.280 1.00 0.00 C ATOM 775 C GLY A 435 6.605 -1.967 -5.594 1.00 0.00 C ATOM 776 O GLY A 435 5.853 -2.660 -6.268 1.00 0.00 O ATOM 0 H GLY A 435 9.423 -1.898 -5.720 1.00 0.00 H new ATOM 0 HA2 GLY A 435 7.188 -0.042 -6.296 1.00 0.00 H new ATOM 0 HA3 GLY A 435 7.706 -1.368 -7.317 1.00 0.00 H new ATOM 780 N TRP A 436 6.610 -1.934 -4.258 1.00 0.00 N ATOM 781 CA TRP A 436 5.641 -2.618 -3.410 1.00 0.00 C ATOM 782 C TRP A 436 5.284 -4.055 -3.850 1.00 0.00 C ATOM 783 O TRP A 436 4.570 -4.271 -4.830 1.00 0.00 O ATOM 784 CB TRP A 436 4.413 -1.738 -3.323 1.00 0.00 C ATOM 785 CG TRP A 436 4.664 -0.441 -2.611 1.00 0.00 C ATOM 786 CD1 TRP A 436 4.755 0.802 -3.172 1.00 0.00 C ATOM 787 CD2 TRP A 436 4.877 -0.259 -1.206 1.00 0.00 C ATOM 788 NE1 TRP A 436 5.001 1.743 -2.201 1.00 0.00 N ATOM 789 CE2 TRP A 436 5.081 1.116 -0.988 1.00 0.00 C ATOM 790 CE3 TRP A 436 4.912 -1.124 -0.112 1.00 0.00 C ATOM 791 CZ2 TRP A 436 5.316 1.642 0.276 1.00 0.00 C ATOM 792 CZ3 TRP A 436 5.145 -0.600 1.143 1.00 0.00 C ATOM 793 CH2 TRP A 436 5.343 0.772 1.329 1.00 0.00 C ATOM 0 H TRP A 436 7.309 -1.415 -3.726 1.00 0.00 H new ATOM 0 HA TRP A 436 6.098 -2.764 -2.431 1.00 0.00 H new ATOM 0 HB2 TRP A 436 4.052 -1.528 -4.330 1.00 0.00 H new ATOM 0 HB3 TRP A 436 3.621 -2.281 -2.807 1.00 0.00 H new ATOM 0 HD1 TRP A 436 4.649 1.014 -4.226 1.00 0.00 H new ATOM 0 HE1 TRP A 436 5.107 2.745 -2.359 1.00 0.00 H new ATOM 0 HE3 TRP A 436 4.759 -2.185 -0.245 1.00 0.00 H new ATOM 0 HZ2 TRP A 436 5.472 2.701 0.421 1.00 0.00 H new ATOM 0 HZ3 TRP A 436 5.175 -1.261 1.997 1.00 0.00 H new ATOM 0 HH2 TRP A 436 5.521 1.151 2.325 1.00 0.00 H new ATOM 804 N SER A 437 5.718 -5.022 -3.039 1.00 0.00 N ATOM 805 CA SER A 437 5.714 -6.442 -3.392 1.00 0.00 C ATOM 806 C SER A 437 4.365 -6.928 -3.931 1.00 0.00 C ATOM 807 O SER A 437 4.279 -7.300 -5.103 1.00 0.00 O ATOM 808 CB SER A 437 6.136 -7.281 -2.184 1.00 0.00 C ATOM 809 OG SER A 437 7.474 -7.081 -1.858 1.00 0.00 O ATOM 0 H SER A 437 6.087 -4.838 -2.106 1.00 0.00 H new ATOM 0 HA SER A 437 6.432 -6.567 -4.202 1.00 0.00 H new ATOM 0 HB2 SER A 437 5.511 -7.026 -1.328 1.00 0.00 H new ATOM 0 HB3 SER A 437 5.968 -8.336 -2.398 1.00 0.00 H new ATOM 0 HG SER A 437 7.916 -7.948 -1.745 1.00 0.00 H new ATOM 815 N PRO A 438 3.292 -6.955 -3.109 1.00 0.00 N ATOM 816 CA PRO A 438 1.988 -7.414 -3.572 1.00 0.00 C ATOM 817 C PRO A 438 1.182 -6.298 -4.235 1.00 0.00 C ATOM 818 O PRO A 438 0.069 -6.517 -4.713 1.00 0.00 O ATOM 819 CB PRO A 438 1.345 -7.861 -2.275 1.00 0.00 C ATOM 820 CG PRO A 438 1.819 -6.867 -1.285 1.00 0.00 C ATOM 821 CD PRO A 438 3.242 -6.584 -1.672 1.00 0.00 C ATOM 0 HA PRO A 438 2.047 -8.189 -4.336 1.00 0.00 H new ATOM 0 HB2 PRO A 438 0.257 -7.865 -2.348 1.00 0.00 H new ATOM 0 HB3 PRO A 438 1.650 -8.872 -2.005 1.00 0.00 H new ATOM 0 HG2 PRO A 438 1.214 -5.961 -1.314 1.00 0.00 H new ATOM 0 HG3 PRO A 438 1.756 -7.259 -0.270 1.00 0.00 H new ATOM 0 HD2 PRO A 438 3.498 -5.536 -1.519 1.00 0.00 H new ATOM 0 HD3 PRO A 438 3.943 -7.173 -1.081 1.00 0.00 H new ATOM 829 N THR A 439 1.773 -5.103 -4.225 1.00 0.00 N ATOM 830 CA THR A 439 1.220 -3.917 -4.880 1.00 0.00 C ATOM 831 C THR A 439 0.057 -3.312 -4.084 1.00 0.00 C ATOM 832 O THR A 439 -0.849 -4.023 -3.651 1.00 0.00 O ATOM 833 CB THR A 439 0.777 -4.239 -6.325 1.00 0.00 C ATOM 834 OG1 THR A 439 1.880 -4.803 -7.049 1.00 0.00 O ATOM 835 CG2 THR A 439 0.280 -2.995 -7.048 1.00 0.00 C ATOM 0 H THR A 439 2.662 -4.929 -3.755 1.00 0.00 H new ATOM 0 HA THR A 439 2.015 -3.173 -4.918 1.00 0.00 H new ATOM 0 HB THR A 439 -0.045 -4.953 -6.275 1.00 0.00 H new ATOM 0 HG1 THR A 439 1.599 -5.009 -7.965 1.00 0.00 H new ATOM 0 HG21 THR A 439 -0.023 -3.260 -8.061 1.00 0.00 H new ATOM 0 HG22 THR A 439 -0.572 -2.578 -6.511 1.00 0.00 H new ATOM 0 HG23 THR A 439 1.079 -2.255 -7.090 1.00 0.00 H new ATOM 843 N PRO A 440 0.094 -1.983 -3.859 1.00 0.00 N ATOM 844 CA PRO A 440 -0.987 -1.262 -3.190 1.00 0.00 C ATOM 845 C PRO A 440 -2.222 -1.178 -4.086 1.00 0.00 C ATOM 846 O PRO A 440 -2.429 -0.201 -4.806 1.00 0.00 O ATOM 847 CB PRO A 440 -0.408 0.130 -2.910 1.00 0.00 C ATOM 848 CG PRO A 440 0.830 0.264 -3.740 1.00 0.00 C ATOM 849 CD PRO A 440 1.204 -1.100 -4.254 1.00 0.00 C ATOM 0 HA PRO A 440 -1.314 -1.759 -2.277 1.00 0.00 H new ATOM 0 HB2 PRO A 440 -1.129 0.906 -3.165 1.00 0.00 H new ATOM 0 HB3 PRO A 440 -0.177 0.246 -1.851 1.00 0.00 H new ATOM 0 HG2 PRO A 440 0.658 0.949 -4.570 1.00 0.00 H new ATOM 0 HG3 PRO A 440 1.642 0.682 -3.145 1.00 0.00 H new ATOM 0 HD2 PRO A 440 1.333 -1.091 -5.336 1.00 0.00 H new ATOM 0 HD3 PRO A 440 2.147 -1.437 -3.824 1.00 0.00 H new ATOM 857 N ARG A 441 -3.028 -2.225 -4.048 1.00 0.00 N ATOM 858 CA ARG A 441 -4.157 -2.371 -4.952 1.00 0.00 C ATOM 859 C ARG A 441 -5.425 -2.770 -4.196 1.00 0.00 C ATOM 860 O ARG A 441 -5.895 -3.904 -4.296 1.00 0.00 O ATOM 861 CB ARG A 441 -3.816 -3.411 -6.034 1.00 0.00 C ATOM 862 CG ARG A 441 -3.407 -4.772 -5.473 1.00 0.00 C ATOM 863 CD ARG A 441 -2.487 -5.543 -6.412 1.00 0.00 C ATOM 864 NE ARG A 441 -3.027 -5.674 -7.764 1.00 0.00 N ATOM 865 CZ ARG A 441 -3.012 -6.803 -8.467 1.00 0.00 C ATOM 866 NH1 ARG A 441 -2.576 -7.930 -7.913 1.00 0.00 N ATOM 867 NH2 ARG A 441 -3.450 -6.807 -9.718 1.00 0.00 N ATOM 0 H ARG A 441 -2.919 -2.997 -3.391 1.00 0.00 H new ATOM 0 HA ARG A 441 -4.351 -1.409 -5.427 1.00 0.00 H new ATOM 0 HB2 ARG A 441 -4.681 -3.542 -6.685 1.00 0.00 H new ATOM 0 HB3 ARG A 441 -3.006 -3.025 -6.653 1.00 0.00 H new ATOM 0 HG2 ARG A 441 -2.906 -4.630 -4.516 1.00 0.00 H new ATOM 0 HG3 ARG A 441 -4.301 -5.364 -5.280 1.00 0.00 H new ATOM 0 HD2 ARG A 441 -1.522 -5.039 -6.460 1.00 0.00 H new ATOM 0 HD3 ARG A 441 -2.308 -6.536 -6.001 1.00 0.00 H new ATOM 0 HE ARG A 441 -3.441 -4.848 -8.195 1.00 0.00 H new ATOM 0 HH11 ARG A 441 -2.252 -7.931 -6.946 1.00 0.00 H new ATOM 0 HH12 ARG A 441 -2.566 -8.794 -8.455 1.00 0.00 H new ATOM 0 HH21 ARG A 441 -3.797 -5.946 -10.139 1.00 0.00 H new ATOM 0 HH22 ARG A 441 -3.440 -7.671 -10.259 1.00 0.00 H new ATOM 881 N CYS A 442 -5.974 -1.840 -3.426 1.00 0.00 N ATOM 882 CA CYS A 442 -7.235 -2.083 -2.740 1.00 0.00 C ATOM 883 C CYS A 442 -8.382 -2.123 -3.734 1.00 0.00 C ATOM 884 O CYS A 442 -8.991 -1.104 -4.064 1.00 0.00 O ATOM 885 CB CYS A 442 -7.488 -1.037 -1.660 1.00 0.00 C ATOM 886 SG CYS A 442 -7.174 0.677 -2.172 1.00 0.00 S ATOM 0 H CYS A 442 -5.570 -0.918 -3.262 1.00 0.00 H new ATOM 0 HA CYS A 442 -7.170 -3.054 -2.249 1.00 0.00 H new ATOM 0 HB2 CYS A 442 -8.524 -1.119 -1.330 1.00 0.00 H new ATOM 0 HB3 CYS A 442 -6.860 -1.265 -0.799 1.00 0.00 H new ATOM 891 N ILE A 443 -8.655 -3.319 -4.216 1.00 0.00 N ATOM 892 CA ILE A 443 -9.710 -3.544 -5.173 1.00 0.00 C ATOM 893 C ILE A 443 -11.026 -3.743 -4.465 1.00 0.00 C ATOM 894 O ILE A 443 -11.081 -3.782 -3.237 1.00 0.00 O ATOM 895 CB ILE A 443 -9.430 -4.777 -6.037 1.00 0.00 C ATOM 896 CG1 ILE A 443 -9.018 -5.962 -5.165 1.00 0.00 C ATOM 897 CG2 ILE A 443 -8.372 -4.462 -7.080 1.00 0.00 C ATOM 898 CD1 ILE A 443 -8.842 -7.254 -5.934 1.00 0.00 C ATOM 0 H ILE A 443 -8.147 -4.163 -3.951 1.00 0.00 H new ATOM 0 HA ILE A 443 -9.757 -2.664 -5.814 1.00 0.00 H new ATOM 0 HB ILE A 443 -10.345 -5.054 -6.560 1.00 0.00 H new ATOM 0 HG12 ILE A 443 -8.083 -5.721 -4.659 1.00 0.00 H new ATOM 0 HG13 ILE A 443 -9.771 -6.110 -4.391 1.00 0.00 H new ATOM 0 HG21 ILE A 443 -8.184 -5.348 -7.686 1.00 0.00 H new ATOM 0 HG22 ILE A 443 -8.722 -3.652 -7.720 1.00 0.00 H new ATOM 0 HG23 ILE A 443 -7.450 -4.160 -6.583 1.00 0.00 H new ATOM 0 HD11 ILE A 443 -8.550 -8.049 -5.248 1.00 0.00 H new ATOM 0 HD12 ILE A 443 -9.782 -7.520 -6.418 1.00 0.00 H new ATOM 0 HD13 ILE A 443 -8.068 -7.125 -6.690 1.00 0.00 H new ATOM 910 N ARG A 444 -12.081 -3.888 -5.237 1.00 0.00 N ATOM 911 CA ARG A 444 -13.400 -4.017 -4.664 1.00 0.00 C ATOM 912 C ARG A 444 -13.692 -5.458 -4.332 1.00 0.00 C ATOM 913 O ARG A 444 -13.906 -6.295 -5.205 1.00 0.00 O ATOM 914 CB ARG A 444 -14.466 -3.455 -5.594 1.00 0.00 C ATOM 915 CG ARG A 444 -15.713 -3.014 -4.857 1.00 0.00 C ATOM 916 CD ARG A 444 -16.784 -2.503 -5.803 1.00 0.00 C ATOM 917 NE ARG A 444 -17.556 -3.589 -6.403 1.00 0.00 N ATOM 918 CZ ARG A 444 -17.991 -3.586 -7.660 1.00 0.00 C ATOM 919 NH1 ARG A 444 -17.682 -2.587 -8.475 1.00 0.00 N ATOM 920 NH2 ARG A 444 -18.731 -4.592 -8.108 1.00 0.00 N ATOM 0 H ARG A 444 -12.051 -3.919 -6.256 1.00 0.00 H new ATOM 0 HA ARG A 444 -13.423 -3.435 -3.743 1.00 0.00 H new ATOM 0 HB2 ARG A 444 -14.054 -2.607 -6.142 1.00 0.00 H new ATOM 0 HB3 ARG A 444 -14.734 -4.211 -6.332 1.00 0.00 H new ATOM 0 HG2 ARG A 444 -16.108 -3.851 -4.281 1.00 0.00 H new ATOM 0 HG3 ARG A 444 -15.455 -2.230 -4.145 1.00 0.00 H new ATOM 0 HD2 ARG A 444 -17.457 -1.838 -5.262 1.00 0.00 H new ATOM 0 HD3 ARG A 444 -16.318 -1.912 -6.592 1.00 0.00 H new ATOM 0 HE ARG A 444 -17.775 -4.399 -5.823 1.00 0.00 H new ATOM 0 HH11 ARG A 444 -17.107 -1.814 -8.139 1.00 0.00 H new ATOM 0 HH12 ARG A 444 -18.019 -2.591 -9.438 1.00 0.00 H new ATOM 0 HH21 ARG A 444 -18.966 -5.367 -7.489 1.00 0.00 H new ATOM 0 HH22 ARG A 444 -19.065 -4.590 -9.072 1.00 0.00 H new ATOM 934 N VAL A 445 -13.689 -5.716 -3.050 1.00 0.00 N ATOM 935 CA VAL A 445 -13.895 -7.040 -2.521 1.00 0.00 C ATOM 936 C VAL A 445 -15.261 -7.115 -1.842 1.00 0.00 C ATOM 937 O VAL A 445 -15.765 -8.201 -1.549 1.00 0.00 O ATOM 938 CB VAL A 445 -12.767 -7.380 -1.526 1.00 0.00 C ATOM 939 CG1 VAL A 445 -12.929 -6.613 -0.219 1.00 0.00 C ATOM 940 CG2 VAL A 445 -12.680 -8.879 -1.279 1.00 0.00 C ATOM 0 H VAL A 445 -13.542 -5.004 -2.335 1.00 0.00 H new ATOM 0 HA VAL A 445 -13.873 -7.768 -3.331 1.00 0.00 H new ATOM 0 HB VAL A 445 -11.826 -7.065 -1.978 1.00 0.00 H new ATOM 0 HG11 VAL A 445 -12.118 -6.876 0.460 1.00 0.00 H new ATOM 0 HG12 VAL A 445 -12.902 -5.542 -0.420 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -13.884 -6.872 0.239 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -11.875 -9.085 -0.573 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -13.624 -9.235 -0.867 1.00 0.00 H new ATOM 0 HG23 VAL A 445 -12.478 -9.392 -2.220 1.00 0.00 H new