USER MOD reduce.3.24.130724 H: found=0, std=0, add=479, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 480 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 390 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 402 HIS : no HE2:sc= -2.62 K(o=-2.6,f=-11!) USER MOD Single : A 388 LYS NZ :NH3+ -166:sc= -0.0371 (180deg=-0.289) USER MOD Single : A 393 TYR OH : rot 180:sc= 0 USER MOD Single : A 396 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 398 TYR OH : rot 30:sc= -0.659 USER MOD Single : A 399 ASN : amide:sc= 0.26 K(o=0.26,f=-0.76) USER MOD Single : A 400 GLN : amide:sc= -0.116 K(o=-0.12,f=-0.69) USER MOD Single : A 401 ASN : amide:sc= -0.518 K(o=-0.52,f=-5.4!) USER MOD Single : A 405 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 408 GLN :FLIP amide:sc= -2.11! C(o=-3!,f=-2.1!) USER MOD Single : A 410 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 411 SER OG : rot 180:sc= -2.21! USER MOD Single : A 417 HIS :FLIP no HD1:sc= 0 F(o=-0.63,f=0) USER MOD Single : A 420 TYR OH : rot 180:sc= 0 USER MOD Single : A 424 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 426 GLN : amide:sc= -0.102 X(o=-0.1,f=-0.27) USER MOD Single : A 427 THR OG1 : rot 180:sc= 0 USER MOD Single : A 428 THR OG1 : rot 180:sc= 0 USER MOD Single : A 430 THR OG1 : rot 180:sc= 0 USER MOD Single : A 432 MET CE :methyl -161:sc= -0.133 (180deg=-0.579) USER MOD Single : A 434 ASN : amide:sc=-0.00332 X(o=-0.0033,f=-0.13) USER MOD Single : A 437 SER OG : rot 92:sc= 0.257 USER MOD Single : A 439 THR OG1 : rot 180:sc= 0 USER MOD Single : A 446 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 386 18.223 -0.329 -0.895 1.00 0.00 N ATOM 2 CA LEU A 386 18.579 0.563 -1.978 1.00 0.00 C ATOM 3 C LEU A 386 17.340 1.008 -2.745 1.00 0.00 C ATOM 4 O LEU A 386 17.225 2.163 -3.151 1.00 0.00 O ATOM 5 CB LEU A 386 19.565 -0.126 -2.918 1.00 0.00 C ATOM 6 CG LEU A 386 21.000 -0.192 -2.401 1.00 0.00 C ATOM 7 CD1 LEU A 386 21.105 -1.103 -1.193 1.00 0.00 C ATOM 8 CD2 LEU A 386 21.950 -0.629 -3.504 1.00 0.00 C ATOM 0 HA LEU A 386 19.051 1.449 -1.554 1.00 0.00 H new ATOM 0 HB2 LEU A 386 19.215 -1.140 -3.109 1.00 0.00 H new ATOM 0 HB3 LEU A 386 19.561 0.398 -3.874 1.00 0.00 H new ATOM 0 HG LEU A 386 21.291 0.809 -2.084 1.00 0.00 H new ATOM 0 HD11 LEU A 386 22.138 -1.130 -0.847 1.00 0.00 H new ATOM 0 HD12 LEU A 386 20.465 -0.725 -0.396 1.00 0.00 H new ATOM 0 HD13 LEU A 386 20.787 -2.109 -1.467 1.00 0.00 H new ATOM 0 HD21 LEU A 386 22.967 -0.669 -3.114 1.00 0.00 H new ATOM 0 HD22 LEU A 386 21.660 -1.616 -3.864 1.00 0.00 H new ATOM 0 HD23 LEU A 386 21.905 0.085 -4.327 1.00 0.00 H new ATOM 20 N ARG A 387 16.412 0.081 -2.927 1.00 0.00 N ATOM 21 CA ARG A 387 15.157 0.380 -3.596 1.00 0.00 C ATOM 22 C ARG A 387 14.193 1.066 -2.642 1.00 0.00 C ATOM 23 O ARG A 387 13.420 0.406 -1.950 1.00 0.00 O ATOM 24 CB ARG A 387 14.520 -0.898 -4.144 1.00 0.00 C ATOM 25 CG ARG A 387 15.341 -1.573 -5.223 1.00 0.00 C ATOM 26 CD ARG A 387 15.495 -0.680 -6.441 1.00 0.00 C ATOM 27 NE ARG A 387 16.370 -1.282 -7.443 1.00 0.00 N ATOM 28 CZ ARG A 387 16.691 -0.703 -8.598 1.00 0.00 C ATOM 29 NH1 ARG A 387 16.199 0.488 -8.916 1.00 0.00 N ATOM 30 NH2 ARG A 387 17.502 -1.316 -9.446 1.00 0.00 N ATOM 0 H ARG A 387 16.506 -0.887 -2.619 1.00 0.00 H new ATOM 0 HA ARG A 387 15.370 1.052 -4.427 1.00 0.00 H new ATOM 0 HB2 ARG A 387 14.369 -1.599 -3.323 1.00 0.00 H new ATOM 0 HB3 ARG A 387 13.535 -0.659 -4.545 1.00 0.00 H new ATOM 0 HG2 ARG A 387 16.325 -1.826 -4.829 1.00 0.00 H new ATOM 0 HG3 ARG A 387 14.864 -2.509 -5.514 1.00 0.00 H new ATOM 0 HD2 ARG A 387 14.515 -0.490 -6.880 1.00 0.00 H new ATOM 0 HD3 ARG A 387 15.900 0.285 -6.136 1.00 0.00 H new ATOM 0 HE ARG A 387 16.760 -2.204 -7.246 1.00 0.00 H new ATOM 0 HH11 ARG A 387 15.569 0.968 -8.273 1.00 0.00 H new ATOM 0 HH12 ARG A 387 16.451 0.923 -9.803 1.00 0.00 H new ATOM 0 HH21 ARG A 387 17.882 -2.234 -9.215 1.00 0.00 H new ATOM 0 HH22 ARG A 387 17.747 -0.870 -10.330 1.00 0.00 H new ATOM 44 N LYS A 388 14.260 2.387 -2.580 1.00 0.00 N ATOM 45 CA LYS A 388 13.299 3.145 -1.797 1.00 0.00 C ATOM 46 C LYS A 388 11.930 3.044 -2.442 1.00 0.00 C ATOM 47 O LYS A 388 11.810 2.981 -3.665 1.00 0.00 O ATOM 48 CB LYS A 388 13.716 4.606 -1.652 1.00 0.00 C ATOM 49 CG LYS A 388 15.030 4.785 -0.912 1.00 0.00 C ATOM 50 CD LYS A 388 14.972 4.212 0.494 1.00 0.00 C ATOM 51 CE LYS A 388 16.279 4.430 1.238 1.00 0.00 C ATOM 52 NZ LYS A 388 17.442 3.854 0.509 1.00 0.00 N ATOM 0 H LYS A 388 14.963 2.951 -3.058 1.00 0.00 H new ATOM 0 HA LYS A 388 13.262 2.719 -0.794 1.00 0.00 H new ATOM 0 HB2 LYS A 388 13.801 5.052 -2.643 1.00 0.00 H new ATOM 0 HB3 LYS A 388 12.933 5.150 -1.124 1.00 0.00 H new ATOM 0 HG2 LYS A 388 15.830 4.298 -1.470 1.00 0.00 H new ATOM 0 HG3 LYS A 388 15.277 5.846 -0.862 1.00 0.00 H new ATOM 0 HD2 LYS A 388 14.156 4.679 1.045 1.00 0.00 H new ATOM 0 HD3 LYS A 388 14.754 3.145 0.445 1.00 0.00 H new ATOM 0 HE2 LYS A 388 16.437 5.498 1.386 1.00 0.00 H new ATOM 0 HE3 LYS A 388 16.212 3.978 2.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 18.264 3.811 1.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 17.207 2.895 0.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 17.670 4.453 -0.310 1.00 0.00 H new ATOM 66 N CYS A 389 10.911 3.036 -1.619 1.00 0.00 N ATOM 67 CA CYS A 389 9.579 2.691 -2.063 1.00 0.00 C ATOM 68 C CYS A 389 8.633 3.865 -1.905 1.00 0.00 C ATOM 69 O CYS A 389 8.302 4.266 -0.789 1.00 0.00 O ATOM 70 CB CYS A 389 9.093 1.506 -1.241 1.00 0.00 C ATOM 71 SG CYS A 389 10.460 0.563 -0.499 1.00 0.00 S ATOM 0 H CYS A 389 10.978 3.267 -0.628 1.00 0.00 H new ATOM 0 HA CYS A 389 9.604 2.430 -3.121 1.00 0.00 H new ATOM 0 HB2 CYS A 389 8.432 1.863 -0.451 1.00 0.00 H new ATOM 0 HB3 CYS A 389 8.503 0.845 -1.876 1.00 0.00 H new ATOM 76 N TYR A 390 8.211 4.424 -3.023 1.00 0.00 N ATOM 77 CA TYR A 390 7.267 5.518 -2.999 1.00 0.00 C ATOM 78 C TYR A 390 5.853 4.963 -2.921 1.00 0.00 C ATOM 79 O TYR A 390 5.466 4.108 -3.719 1.00 0.00 O ATOM 80 CB TYR A 390 7.429 6.403 -4.238 1.00 0.00 C ATOM 81 CG TYR A 390 6.560 7.642 -4.211 1.00 0.00 C ATOM 82 CD1 TYR A 390 6.831 8.679 -3.326 1.00 0.00 C ATOM 83 CD2 TYR A 390 5.469 7.775 -5.062 1.00 0.00 C ATOM 84 CE1 TYR A 390 6.042 9.813 -3.290 1.00 0.00 C ATOM 85 CE2 TYR A 390 4.677 8.906 -5.034 1.00 0.00 C ATOM 86 CZ TYR A 390 4.967 9.922 -4.147 1.00 0.00 C ATOM 87 OH TYR A 390 4.180 11.050 -4.119 1.00 0.00 O ATOM 0 H TYR A 390 8.508 4.137 -3.956 1.00 0.00 H new ATOM 0 HA TYR A 390 7.460 6.134 -2.121 1.00 0.00 H new ATOM 0 HB2 TYR A 390 8.473 6.703 -4.327 1.00 0.00 H new ATOM 0 HB3 TYR A 390 7.188 5.819 -5.126 1.00 0.00 H new ATOM 0 HD1 TYR A 390 7.673 8.597 -2.655 1.00 0.00 H new ATOM 0 HD2 TYR A 390 5.237 6.981 -5.756 1.00 0.00 H new ATOM 0 HE1 TYR A 390 6.266 10.609 -2.595 1.00 0.00 H new ATOM 0 HE2 TYR A 390 3.834 8.995 -5.704 1.00 0.00 H new ATOM 0 HH TYR A 390 3.467 10.968 -4.786 1.00 0.00 H new ATOM 97 N PHE A 391 5.096 5.420 -1.939 1.00 0.00 N ATOM 98 CA PHE A 391 3.721 4.982 -1.788 1.00 0.00 C ATOM 99 C PHE A 391 2.843 5.775 -2.742 1.00 0.00 C ATOM 100 O PHE A 391 2.942 6.995 -2.773 1.00 0.00 O ATOM 101 CB PHE A 391 3.244 5.190 -0.350 1.00 0.00 C ATOM 102 CG PHE A 391 2.193 4.200 0.067 1.00 0.00 C ATOM 103 CD1 PHE A 391 2.354 2.851 -0.209 1.00 0.00 C ATOM 104 CD2 PHE A 391 1.040 4.610 0.717 1.00 0.00 C ATOM 105 CE1 PHE A 391 1.389 1.933 0.152 1.00 0.00 C ATOM 106 CE2 PHE A 391 0.074 3.691 1.082 1.00 0.00 C ATOM 107 CZ PHE A 391 0.248 2.354 0.797 1.00 0.00 C ATOM 0 H PHE A 391 5.409 6.091 -1.238 1.00 0.00 H new ATOM 0 HA PHE A 391 3.657 3.919 -2.019 1.00 0.00 H new ATOM 0 HB2 PHE A 391 4.096 5.113 0.325 1.00 0.00 H new ATOM 0 HB3 PHE A 391 2.846 6.200 -0.247 1.00 0.00 H new ATOM 0 HD1 PHE A 391 3.247 2.514 -0.714 1.00 0.00 H new ATOM 0 HD2 PHE A 391 0.895 5.657 0.940 1.00 0.00 H new ATOM 0 HE1 PHE A 391 1.529 0.886 -0.071 1.00 0.00 H new ATOM 0 HE2 PHE A 391 -0.819 4.022 1.592 1.00 0.00 H new ATOM 0 HZ PHE A 391 -0.509 1.638 1.079 1.00 0.00 H new ATOM 117 N PRO A 392 2.002 5.105 -3.547 1.00 0.00 N ATOM 118 CA PRO A 392 1.123 5.761 -4.516 1.00 0.00 C ATOM 119 C PRO A 392 -0.258 6.110 -3.961 1.00 0.00 C ATOM 120 O PRO A 392 -0.746 5.496 -3.012 1.00 0.00 O ATOM 121 CB PRO A 392 1.000 4.701 -5.603 1.00 0.00 C ATOM 122 CG PRO A 392 1.063 3.401 -4.871 1.00 0.00 C ATOM 123 CD PRO A 392 1.865 3.639 -3.609 1.00 0.00 C ATOM 0 HA PRO A 392 1.525 6.720 -4.842 1.00 0.00 H new ATOM 0 HB2 PRO A 392 0.063 4.802 -6.151 1.00 0.00 H new ATOM 0 HB3 PRO A 392 1.806 4.785 -6.332 1.00 0.00 H new ATOM 0 HG2 PRO A 392 0.061 3.046 -4.629 1.00 0.00 H new ATOM 0 HG3 PRO A 392 1.533 2.634 -5.487 1.00 0.00 H new ATOM 0 HD2 PRO A 392 1.352 3.248 -2.730 1.00 0.00 H new ATOM 0 HD3 PRO A 392 2.837 3.148 -3.655 1.00 0.00 H new ATOM 131 N TYR A 393 -0.844 7.155 -4.527 1.00 0.00 N ATOM 132 CA TYR A 393 -2.215 7.530 -4.252 1.00 0.00 C ATOM 133 C TYR A 393 -3.184 6.527 -4.884 1.00 0.00 C ATOM 134 O TYR A 393 -3.487 6.606 -6.075 1.00 0.00 O ATOM 135 CB TYR A 393 -2.467 8.933 -4.808 1.00 0.00 C ATOM 136 CG TYR A 393 -3.807 9.527 -4.432 1.00 0.00 C ATOM 137 CD1 TYR A 393 -4.975 9.124 -5.065 1.00 0.00 C ATOM 138 CD2 TYR A 393 -3.900 10.490 -3.437 1.00 0.00 C ATOM 139 CE1 TYR A 393 -6.196 9.660 -4.718 1.00 0.00 C ATOM 140 CE2 TYR A 393 -5.121 11.032 -3.081 1.00 0.00 C ATOM 141 CZ TYR A 393 -6.265 10.614 -3.725 1.00 0.00 C ATOM 142 OH TYR A 393 -7.486 11.145 -3.366 1.00 0.00 O ATOM 0 H TYR A 393 -0.375 7.768 -5.194 1.00 0.00 H new ATOM 0 HA TYR A 393 -2.382 7.527 -3.175 1.00 0.00 H new ATOM 0 HB2 TYR A 393 -1.678 9.597 -4.455 1.00 0.00 H new ATOM 0 HB3 TYR A 393 -2.392 8.898 -5.895 1.00 0.00 H new ATOM 0 HD1 TYR A 393 -4.926 8.377 -5.843 1.00 0.00 H new ATOM 0 HD2 TYR A 393 -3.004 10.821 -2.933 1.00 0.00 H new ATOM 0 HE1 TYR A 393 -7.094 9.334 -5.221 1.00 0.00 H new ATOM 0 HE2 TYR A 393 -5.178 11.779 -2.303 1.00 0.00 H new ATOM 0 HH TYR A 393 -7.359 11.803 -2.651 1.00 0.00 H new ATOM 152 N LEU A 394 -3.627 5.568 -4.084 1.00 0.00 N ATOM 153 CA LEU A 394 -4.684 4.644 -4.488 1.00 0.00 C ATOM 154 C LEU A 394 -5.993 5.403 -4.670 1.00 0.00 C ATOM 155 O LEU A 394 -6.406 6.177 -3.804 1.00 0.00 O ATOM 156 CB LEU A 394 -4.872 3.539 -3.441 1.00 0.00 C ATOM 157 CG LEU A 394 -3.830 2.412 -3.451 1.00 0.00 C ATOM 158 CD1 LEU A 394 -2.447 2.925 -3.087 1.00 0.00 C ATOM 159 CD2 LEU A 394 -4.249 1.316 -2.490 1.00 0.00 C ATOM 0 H LEU A 394 -3.269 5.407 -3.143 1.00 0.00 H new ATOM 0 HA LEU A 394 -4.394 4.183 -5.432 1.00 0.00 H new ATOM 0 HB2 LEU A 394 -4.870 3.999 -2.453 1.00 0.00 H new ATOM 0 HB3 LEU A 394 -5.858 3.096 -3.584 1.00 0.00 H new ATOM 0 HG LEU A 394 -3.778 2.010 -4.463 1.00 0.00 H new ATOM 0 HD11 LEU A 394 -1.736 2.099 -3.105 1.00 0.00 H new ATOM 0 HD12 LEU A 394 -2.139 3.684 -3.807 1.00 0.00 H new ATOM 0 HD13 LEU A 394 -2.472 3.361 -2.088 1.00 0.00 H new ATOM 0 HD21 LEU A 394 -3.506 0.519 -2.501 1.00 0.00 H new ATOM 0 HD22 LEU A 394 -4.327 1.725 -1.483 1.00 0.00 H new ATOM 0 HD23 LEU A 394 -5.216 0.915 -2.794 1.00 0.00 H new ATOM 171 N GLU A 395 -6.635 5.153 -5.802 1.00 0.00 N ATOM 172 CA GLU A 395 -7.802 5.911 -6.237 1.00 0.00 C ATOM 173 C GLU A 395 -8.950 5.823 -5.235 1.00 0.00 C ATOM 174 O GLU A 395 -9.669 6.798 -5.021 1.00 0.00 O ATOM 175 CB GLU A 395 -8.293 5.414 -7.603 1.00 0.00 C ATOM 176 CG GLU A 395 -7.185 5.034 -8.579 1.00 0.00 C ATOM 177 CD GLU A 395 -6.714 3.602 -8.395 1.00 0.00 C ATOM 178 OE1 GLU A 395 -7.333 2.692 -8.984 1.00 0.00 O ATOM 179 OE2 GLU A 395 -5.735 3.376 -7.653 1.00 0.00 O ATOM 0 H GLU A 395 -6.360 4.414 -6.449 1.00 0.00 H new ATOM 0 HA GLU A 395 -7.488 6.952 -6.312 1.00 0.00 H new ATOM 0 HB2 GLU A 395 -8.936 4.547 -7.449 1.00 0.00 H new ATOM 0 HB3 GLU A 395 -8.908 6.191 -8.057 1.00 0.00 H new ATOM 0 HG2 GLU A 395 -7.543 5.167 -9.600 1.00 0.00 H new ATOM 0 HG3 GLU A 395 -6.341 5.711 -8.447 1.00 0.00 H new ATOM 186 N ASN A 396 -9.133 4.655 -4.634 1.00 0.00 N ATOM 187 CA ASN A 396 -10.235 4.447 -3.702 1.00 0.00 C ATOM 188 C ASN A 396 -9.730 4.266 -2.275 1.00 0.00 C ATOM 189 O ASN A 396 -10.381 3.623 -1.446 1.00 0.00 O ATOM 190 CB ASN A 396 -11.072 3.231 -4.118 1.00 0.00 C ATOM 191 CG ASN A 396 -11.693 3.386 -5.496 1.00 0.00 C ATOM 192 OD1 ASN A 396 -11.114 2.972 -6.503 1.00 0.00 O ATOM 193 ND2 ASN A 396 -12.867 3.996 -5.554 1.00 0.00 N ATOM 0 H ASN A 396 -8.536 3.840 -4.774 1.00 0.00 H new ATOM 0 HA ASN A 396 -10.862 5.338 -3.732 1.00 0.00 H new ATOM 0 HB2 ASN A 396 -10.442 2.341 -4.106 1.00 0.00 H new ATOM 0 HB3 ASN A 396 -11.862 3.072 -3.384 1.00 0.00 H new ATOM 0 HD21 ASN A 396 -13.324 4.138 -6.455 1.00 0.00 H new ATOM 0 HD22 ASN A 396 -13.314 4.324 -4.698 1.00 0.00 H new ATOM 200 N GLY A 397 -8.573 4.843 -1.981 1.00 0.00 N ATOM 201 CA GLY A 397 -8.025 4.751 -0.644 1.00 0.00 C ATOM 202 C GLY A 397 -7.994 6.101 0.045 1.00 0.00 C ATOM 203 O GLY A 397 -8.302 7.118 -0.575 1.00 0.00 O ATOM 0 H GLY A 397 -8.006 5.372 -2.643 1.00 0.00 H new ATOM 0 HA2 GLY A 397 -8.621 4.055 -0.054 1.00 0.00 H new ATOM 0 HA3 GLY A 397 -7.015 4.344 -0.692 1.00 0.00 H new ATOM 207 N TYR A 398 -7.642 6.112 1.329 1.00 0.00 N ATOM 208 CA TYR A 398 -7.546 7.358 2.086 1.00 0.00 C ATOM 209 C TYR A 398 -6.210 8.042 1.827 1.00 0.00 C ATOM 210 O TYR A 398 -6.100 9.267 1.852 1.00 0.00 O ATOM 211 CB TYR A 398 -7.701 7.106 3.590 1.00 0.00 C ATOM 212 CG TYR A 398 -9.081 6.657 4.014 1.00 0.00 C ATOM 213 CD1 TYR A 398 -10.055 7.584 4.357 1.00 0.00 C ATOM 214 CD2 TYR A 398 -9.405 5.311 4.082 1.00 0.00 C ATOM 215 CE1 TYR A 398 -11.314 7.178 4.756 1.00 0.00 C ATOM 216 CE2 TYR A 398 -10.661 4.898 4.477 1.00 0.00 C ATOM 217 CZ TYR A 398 -11.611 5.834 4.814 1.00 0.00 C ATOM 218 OH TYR A 398 -12.863 5.424 5.209 1.00 0.00 O ATOM 0 H TYR A 398 -7.419 5.274 1.866 1.00 0.00 H new ATOM 0 HA TYR A 398 -8.356 8.006 1.752 1.00 0.00 H new ATOM 0 HB2 TYR A 398 -6.978 6.350 3.895 1.00 0.00 H new ATOM 0 HB3 TYR A 398 -7.450 8.021 4.126 1.00 0.00 H new ATOM 0 HD1 TYR A 398 -9.826 8.638 4.311 1.00 0.00 H new ATOM 0 HD2 TYR A 398 -8.661 4.573 3.821 1.00 0.00 H new ATOM 0 HE1 TYR A 398 -12.062 7.911 5.021 1.00 0.00 H new ATOM 0 HE2 TYR A 398 -10.897 3.845 4.521 1.00 0.00 H new ATOM 0 HH TYR A 398 -13.524 6.103 4.958 1.00 0.00 H new ATOM 228 N ASN A 399 -5.201 7.203 1.585 1.00 0.00 N ATOM 229 CA ASN A 399 -3.842 7.631 1.233 1.00 0.00 C ATOM 230 C ASN A 399 -3.257 8.570 2.270 1.00 0.00 C ATOM 231 O ASN A 399 -2.500 9.478 1.928 1.00 0.00 O ATOM 232 CB ASN A 399 -3.770 8.319 -0.134 1.00 0.00 C ATOM 233 CG ASN A 399 -4.880 7.921 -1.076 1.00 0.00 C ATOM 234 OD1 ASN A 399 -5.884 8.616 -1.201 1.00 0.00 O ATOM 235 ND2 ASN A 399 -4.718 6.789 -1.725 1.00 0.00 N ATOM 0 H ASN A 399 -5.305 6.189 1.628 1.00 0.00 H new ATOM 0 HA ASN A 399 -3.258 6.711 1.196 1.00 0.00 H new ATOM 0 HB2 ASN A 399 -3.799 9.399 0.011 1.00 0.00 H new ATOM 0 HB3 ASN A 399 -2.812 8.086 -0.598 1.00 0.00 H new ATOM 0 HD21 ASN A 399 -5.443 6.458 -2.362 1.00 0.00 H new ATOM 0 HD22 ASN A 399 -3.867 6.242 -1.592 1.00 0.00 H new ATOM 242 N GLN A 400 -3.575 8.335 3.535 1.00 0.00 N ATOM 243 CA GLN A 400 -3.029 9.140 4.619 1.00 0.00 C ATOM 244 C GLN A 400 -1.515 8.984 4.666 1.00 0.00 C ATOM 245 O GLN A 400 -0.807 9.790 5.262 1.00 0.00 O ATOM 246 CB GLN A 400 -3.652 8.729 5.949 1.00 0.00 C ATOM 247 CG GLN A 400 -5.141 9.023 6.039 1.00 0.00 C ATOM 248 CD GLN A 400 -5.451 10.507 5.976 1.00 0.00 C ATOM 249 OE1 GLN A 400 -4.654 11.341 6.405 1.00 0.00 O ATOM 250 NE2 GLN A 400 -6.614 10.848 5.441 1.00 0.00 N ATOM 0 H GLN A 400 -4.208 7.594 3.836 1.00 0.00 H new ATOM 0 HA GLN A 400 -3.268 10.188 4.439 1.00 0.00 H new ATOM 0 HB2 GLN A 400 -3.491 7.662 6.102 1.00 0.00 H new ATOM 0 HB3 GLN A 400 -3.138 9.248 6.758 1.00 0.00 H new ATOM 0 HG2 GLN A 400 -5.657 8.514 5.225 1.00 0.00 H new ATOM 0 HG3 GLN A 400 -5.532 8.614 6.970 1.00 0.00 H new ATOM 0 HE21 GLN A 400 -7.248 10.127 5.096 1.00 0.00 H new ATOM 0 HE22 GLN A 400 -6.876 11.832 5.374 1.00 0.00 H new ATOM 259 N ASN A 401 -1.037 7.943 4.005 1.00 0.00 N ATOM 260 CA ASN A 401 0.379 7.655 3.933 1.00 0.00 C ATOM 261 C ASN A 401 0.928 7.815 2.517 1.00 0.00 C ATOM 262 O ASN A 401 2.042 7.377 2.233 1.00 0.00 O ATOM 263 CB ASN A 401 0.670 6.242 4.444 1.00 0.00 C ATOM 264 CG ASN A 401 -0.415 5.241 4.089 1.00 0.00 C ATOM 265 OD1 ASN A 401 -1.155 5.409 3.116 1.00 0.00 O ATOM 266 ND2 ASN A 401 -0.524 4.191 4.884 1.00 0.00 N ATOM 0 H ASN A 401 -1.623 7.275 3.504 1.00 0.00 H new ATOM 0 HA ASN A 401 0.882 8.382 4.571 1.00 0.00 H new ATOM 0 HB2 ASN A 401 1.619 5.901 4.030 1.00 0.00 H new ATOM 0 HB3 ASN A 401 0.787 6.272 5.527 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -1.238 3.486 4.702 1.00 0.00 H new ATOM 0 HD22 ASN A 401 0.106 4.086 5.679 1.00 0.00 H new ATOM 273 N HIS A 402 0.166 8.434 1.620 1.00 0.00 N ATOM 274 CA HIS A 402 0.697 8.724 0.296 1.00 0.00 C ATOM 275 C HIS A 402 1.519 10.000 0.335 1.00 0.00 C ATOM 276 O HIS A 402 1.297 10.877 1.167 1.00 0.00 O ATOM 277 CB HIS A 402 -0.391 8.816 -0.778 1.00 0.00 C ATOM 278 CG HIS A 402 0.136 9.304 -2.099 1.00 0.00 C ATOM 279 ND1 HIS A 402 1.061 8.630 -2.856 1.00 0.00 N ATOM 280 CD2 HIS A 402 -0.100 10.439 -2.755 1.00 0.00 C ATOM 281 CE1 HIS A 402 1.363 9.347 -3.925 1.00 0.00 C ATOM 282 NE2 HIS A 402 0.665 10.452 -3.885 1.00 0.00 N ATOM 0 H HIS A 402 -0.795 8.737 1.780 1.00 0.00 H new ATOM 0 HA HIS A 402 1.335 7.886 0.016 1.00 0.00 H new ATOM 0 HB2 HIS A 402 -0.846 7.835 -0.913 1.00 0.00 H new ATOM 0 HB3 HIS A 402 -1.178 9.488 -0.435 1.00 0.00 H new ATOM 0 HD1 HIS A 402 1.455 7.717 -2.629 1.00 0.00 H new ATOM 0 HD2 HIS A 402 -0.782 11.217 -2.445 1.00 0.00 H new ATOM 0 HE1 HIS A 402 2.065 9.068 -4.697 1.00 0.00 H new ATOM 291 N GLY A 403 2.460 10.087 -0.583 1.00 0.00 N ATOM 292 CA GLY A 403 3.395 11.183 -0.592 1.00 0.00 C ATOM 293 C GLY A 403 4.635 10.842 0.203 1.00 0.00 C ATOM 294 O GLY A 403 5.597 11.606 0.238 1.00 0.00 O ATOM 0 H GLY A 403 2.594 9.408 -1.332 1.00 0.00 H new ATOM 0 HA2 GLY A 403 3.671 11.422 -1.619 1.00 0.00 H new ATOM 0 HA3 GLY A 403 2.923 12.072 -0.174 1.00 0.00 H new ATOM 298 N ARG A 404 4.607 9.675 0.832 1.00 0.00 N ATOM 299 CA ARG A 404 5.690 9.233 1.692 1.00 0.00 C ATOM 300 C ARG A 404 6.610 8.273 0.957 1.00 0.00 C ATOM 301 O ARG A 404 6.218 7.653 -0.036 1.00 0.00 O ATOM 302 CB ARG A 404 5.125 8.546 2.928 1.00 0.00 C ATOM 303 CG ARG A 404 4.222 9.434 3.760 1.00 0.00 C ATOM 304 CD ARG A 404 3.582 8.650 4.890 1.00 0.00 C ATOM 305 NE ARG A 404 2.678 9.465 5.698 1.00 0.00 N ATOM 306 CZ ARG A 404 2.198 9.081 6.880 1.00 0.00 C ATOM 307 NH1 ARG A 404 2.606 7.937 7.421 1.00 0.00 N ATOM 308 NH2 ARG A 404 1.324 9.843 7.524 1.00 0.00 N ATOM 0 H ARG A 404 3.835 9.012 0.759 1.00 0.00 H new ATOM 0 HA ARG A 404 6.266 10.109 1.990 1.00 0.00 H new ATOM 0 HB2 ARG A 404 4.566 7.663 2.618 1.00 0.00 H new ATOM 0 HB3 ARG A 404 5.951 8.199 3.549 1.00 0.00 H new ATOM 0 HG2 ARG A 404 4.798 10.264 4.169 1.00 0.00 H new ATOM 0 HG3 ARG A 404 3.447 9.866 3.127 1.00 0.00 H new ATOM 0 HD2 ARG A 404 3.031 7.806 4.475 1.00 0.00 H new ATOM 0 HD3 ARG A 404 4.363 8.238 5.529 1.00 0.00 H new ATOM 0 HE ARG A 404 2.399 10.378 5.338 1.00 0.00 H new ATOM 0 HH11 ARG A 404 3.285 7.355 6.931 1.00 0.00 H new ATOM 0 HH12 ARG A 404 2.240 7.641 8.326 1.00 0.00 H new ATOM 0 HH21 ARG A 404 1.018 10.726 7.114 1.00 0.00 H new ATOM 0 HH22 ARG A 404 0.958 9.546 8.429 1.00 0.00 H new ATOM 322 N LYS A 405 7.826 8.154 1.460 1.00 0.00 N ATOM 323 CA LYS A 405 8.805 7.245 0.903 1.00 0.00 C ATOM 324 C LYS A 405 9.294 6.287 1.975 1.00 0.00 C ATOM 325 O LYS A 405 9.668 6.703 3.073 1.00 0.00 O ATOM 326 CB LYS A 405 9.986 8.019 0.323 1.00 0.00 C ATOM 327 CG LYS A 405 9.635 8.852 -0.899 1.00 0.00 C ATOM 328 CD LYS A 405 10.834 9.645 -1.393 1.00 0.00 C ATOM 329 CE LYS A 405 11.967 8.735 -1.839 1.00 0.00 C ATOM 330 NZ LYS A 405 13.196 9.502 -2.169 1.00 0.00 N ATOM 0 H LYS A 405 8.160 8.685 2.265 1.00 0.00 H new ATOM 0 HA LYS A 405 8.332 6.677 0.102 1.00 0.00 H new ATOM 0 HB2 LYS A 405 10.392 8.675 1.093 1.00 0.00 H new ATOM 0 HB3 LYS A 405 10.774 7.315 0.056 1.00 0.00 H new ATOM 0 HG2 LYS A 405 9.275 8.200 -1.695 1.00 0.00 H new ATOM 0 HG3 LYS A 405 8.821 9.535 -0.654 1.00 0.00 H new ATOM 0 HD2 LYS A 405 10.531 10.282 -2.224 1.00 0.00 H new ATOM 0 HD3 LYS A 405 11.187 10.303 -0.599 1.00 0.00 H new ATOM 0 HE2 LYS A 405 12.188 8.017 -1.049 1.00 0.00 H new ATOM 0 HE3 LYS A 405 11.651 8.163 -2.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 405 13.945 8.846 -2.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 405 12.992 10.170 -2.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 405 13.512 10.028 -1.330 1.00 0.00 H new ATOM 344 N PHE A 406 9.275 5.010 1.656 1.00 0.00 N ATOM 345 CA PHE A 406 9.728 3.979 2.573 1.00 0.00 C ATOM 346 C PHE A 406 11.004 3.346 2.044 1.00 0.00 C ATOM 347 O PHE A 406 11.451 3.658 0.942 1.00 0.00 O ATOM 348 CB PHE A 406 8.638 2.921 2.760 1.00 0.00 C ATOM 349 CG PHE A 406 7.391 3.455 3.413 1.00 0.00 C ATOM 350 CD1 PHE A 406 6.396 4.058 2.657 1.00 0.00 C ATOM 351 CD2 PHE A 406 7.215 3.359 4.785 1.00 0.00 C ATOM 352 CE1 PHE A 406 5.252 4.553 3.254 1.00 0.00 C ATOM 353 CE2 PHE A 406 6.073 3.852 5.388 1.00 0.00 C ATOM 354 CZ PHE A 406 5.091 4.450 4.622 1.00 0.00 C ATOM 0 H PHE A 406 8.947 4.656 0.758 1.00 0.00 H new ATOM 0 HA PHE A 406 9.937 4.429 3.543 1.00 0.00 H new ATOM 0 HB2 PHE A 406 8.379 2.502 1.788 1.00 0.00 H new ATOM 0 HB3 PHE A 406 9.034 2.105 3.364 1.00 0.00 H new ATOM 0 HD1 PHE A 406 6.517 4.142 1.587 1.00 0.00 H new ATOM 0 HD2 PHE A 406 7.979 2.894 5.390 1.00 0.00 H new ATOM 0 HE1 PHE A 406 4.486 5.019 2.652 1.00 0.00 H new ATOM 0 HE2 PHE A 406 5.948 3.770 6.458 1.00 0.00 H new ATOM 0 HZ PHE A 406 4.199 4.836 5.092 1.00 0.00 H new ATOM 364 N VAL A 407 11.592 2.475 2.839 1.00 0.00 N ATOM 365 CA VAL A 407 12.811 1.788 2.452 1.00 0.00 C ATOM 366 C VAL A 407 12.520 0.300 2.255 1.00 0.00 C ATOM 367 O VAL A 407 11.710 -0.280 2.986 1.00 0.00 O ATOM 368 CB VAL A 407 13.919 1.983 3.517 1.00 0.00 C ATOM 369 CG1 VAL A 407 13.478 1.456 4.876 1.00 0.00 C ATOM 370 CG2 VAL A 407 15.224 1.328 3.081 1.00 0.00 C ATOM 0 H VAL A 407 11.243 2.224 3.764 1.00 0.00 H new ATOM 0 HA VAL A 407 13.169 2.213 1.514 1.00 0.00 H new ATOM 0 HB VAL A 407 14.095 3.054 3.613 1.00 0.00 H new ATOM 0 HG11 VAL A 407 14.277 1.607 5.602 1.00 0.00 H new ATOM 0 HG12 VAL A 407 12.586 1.991 5.202 1.00 0.00 H new ATOM 0 HG13 VAL A 407 13.255 0.392 4.799 1.00 0.00 H new ATOM 0 HG21 VAL A 407 15.982 1.482 3.849 1.00 0.00 H new ATOM 0 HG22 VAL A 407 15.064 0.259 2.937 1.00 0.00 H new ATOM 0 HG23 VAL A 407 15.560 1.774 2.145 1.00 0.00 H new ATOM 380 N GLN A 408 13.144 -0.284 1.234 1.00 0.00 N ATOM 381 CA GLN A 408 13.023 -1.710 0.946 1.00 0.00 C ATOM 382 C GLN A 408 13.286 -2.539 2.200 1.00 0.00 C ATOM 383 O GLN A 408 14.405 -2.558 2.721 1.00 0.00 O ATOM 384 CB GLN A 408 14.009 -2.087 -0.164 1.00 0.00 C ATOM 385 CG GLN A 408 14.173 -3.578 -0.390 1.00 0.00 C ATOM 386 CD GLN A 408 15.211 -3.872 -1.452 1.00 0.00 C ATOM 387 OE1 GLN A 408 14.763 -4.004 -2.689 1.00 0.00 O flip ATOM 388 NE2 GLN A 408 16.406 -3.981 -1.161 1.00 0.00 N flip ATOM 0 H GLN A 408 13.748 0.219 0.583 1.00 0.00 H new ATOM 0 HA GLN A 408 12.007 -1.922 0.613 1.00 0.00 H new ATOM 0 HB2 GLN A 408 13.679 -1.627 -1.095 1.00 0.00 H new ATOM 0 HB3 GLN A 408 14.983 -1.661 0.075 1.00 0.00 H new ATOM 0 HG2 GLN A 408 14.462 -4.058 0.545 1.00 0.00 H new ATOM 0 HG3 GLN A 408 13.217 -4.009 -0.687 1.00 0.00 H new ATOM 0 HE21 GLN A 408 16.707 -3.871 -0.193 1.00 0.00 H new ATOM 0 HE22 GLN A 408 17.092 -4.181 -1.889 1.00 0.00 H new ATOM 397 N GLY A 409 12.249 -3.216 2.673 1.00 0.00 N ATOM 398 CA GLY A 409 12.351 -3.960 3.908 1.00 0.00 C ATOM 399 C GLY A 409 11.266 -3.579 4.896 1.00 0.00 C ATOM 400 O GLY A 409 10.979 -4.328 5.832 1.00 0.00 O ATOM 0 H GLY A 409 11.336 -3.262 2.220 1.00 0.00 H new ATOM 0 HA2 GLY A 409 12.287 -5.027 3.694 1.00 0.00 H new ATOM 0 HA3 GLY A 409 13.328 -3.783 4.357 1.00 0.00 H new ATOM 404 N LYS A 410 10.664 -2.408 4.698 1.00 0.00 N ATOM 405 CA LYS A 410 9.597 -1.943 5.569 1.00 0.00 C ATOM 406 C LYS A 410 8.228 -2.340 5.043 1.00 0.00 C ATOM 407 O LYS A 410 8.084 -2.789 3.901 1.00 0.00 O ATOM 408 CB LYS A 410 9.662 -0.427 5.727 1.00 0.00 C ATOM 409 CG LYS A 410 10.610 0.037 6.816 1.00 0.00 C ATOM 410 CD LYS A 410 10.507 1.536 7.021 1.00 0.00 C ATOM 411 CE LYS A 410 11.347 2.006 8.196 1.00 0.00 C ATOM 412 NZ LYS A 410 11.198 3.465 8.426 1.00 0.00 N ATOM 0 H LYS A 410 10.900 -1.767 3.941 1.00 0.00 H new ATOM 0 HA LYS A 410 9.740 -2.419 6.539 1.00 0.00 H new ATOM 0 HB2 LYS A 410 9.969 0.014 4.779 1.00 0.00 H new ATOM 0 HB3 LYS A 410 8.662 -0.051 5.945 1.00 0.00 H new ATOM 0 HG2 LYS A 410 10.379 -0.478 7.748 1.00 0.00 H new ATOM 0 HG3 LYS A 410 11.633 -0.228 6.550 1.00 0.00 H new ATOM 0 HD2 LYS A 410 10.830 2.049 6.115 1.00 0.00 H new ATOM 0 HD3 LYS A 410 9.465 1.809 7.187 1.00 0.00 H new ATOM 0 HE2 LYS A 410 11.052 1.464 9.094 1.00 0.00 H new ATOM 0 HE3 LYS A 410 12.395 1.771 8.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 410 11.785 3.751 9.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 410 11.503 3.983 7.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 410 10.202 3.685 8.627 1.00 0.00 H new ATOM 426 N SER A 411 7.231 -2.162 5.893 1.00 0.00 N ATOM 427 CA SER A 411 5.857 -2.481 5.570 1.00 0.00 C ATOM 428 C SER A 411 4.960 -1.300 5.910 1.00 0.00 C ATOM 429 O SER A 411 5.372 -0.381 6.624 1.00 0.00 O ATOM 430 CB SER A 411 5.412 -3.712 6.357 1.00 0.00 C ATOM 431 OG SER A 411 4.043 -4.017 6.139 1.00 0.00 O ATOM 0 H SER A 411 7.357 -1.789 6.834 1.00 0.00 H new ATOM 0 HA SER A 411 5.781 -2.692 4.503 1.00 0.00 H new ATOM 0 HB2 SER A 411 6.024 -4.567 6.069 1.00 0.00 H new ATOM 0 HB3 SER A 411 5.581 -3.543 7.420 1.00 0.00 H new ATOM 0 HG SER A 411 3.798 -4.811 6.658 1.00 0.00 H new ATOM 437 N ILE A 412 3.737 -1.342 5.422 1.00 0.00 N ATOM 438 CA ILE A 412 2.769 -0.291 5.686 1.00 0.00 C ATOM 439 C ILE A 412 1.352 -0.796 5.432 1.00 0.00 C ATOM 440 O ILE A 412 1.111 -1.580 4.513 1.00 0.00 O ATOM 441 CB ILE A 412 3.044 0.968 4.826 1.00 0.00 C ATOM 442 CG1 ILE A 412 2.110 2.114 5.220 1.00 0.00 C ATOM 443 CG2 ILE A 412 2.902 0.658 3.345 1.00 0.00 C ATOM 444 CD1 ILE A 412 2.318 2.603 6.638 1.00 0.00 C ATOM 0 H ILE A 412 3.385 -2.099 4.835 1.00 0.00 H new ATOM 0 HA ILE A 412 2.868 -0.010 6.735 1.00 0.00 H new ATOM 0 HB ILE A 412 4.071 1.280 5.015 1.00 0.00 H new ATOM 0 HG12 ILE A 412 2.259 2.946 4.532 1.00 0.00 H new ATOM 0 HG13 ILE A 412 1.077 1.786 5.105 1.00 0.00 H new ATOM 0 HG21 ILE A 412 3.100 1.559 2.764 1.00 0.00 H new ATOM 0 HG22 ILE A 412 3.615 -0.118 3.066 1.00 0.00 H new ATOM 0 HG23 ILE A 412 1.889 0.311 3.141 1.00 0.00 H new ATOM 0 HD11 ILE A 412 1.622 3.415 6.848 1.00 0.00 H new ATOM 0 HD12 ILE A 412 2.141 1.784 7.335 1.00 0.00 H new ATOM 0 HD13 ILE A 412 3.341 2.962 6.753 1.00 0.00 H new ATOM 456 N ASP A 413 0.427 -0.368 6.272 1.00 0.00 N ATOM 457 CA ASP A 413 -0.974 -0.738 6.127 1.00 0.00 C ATOM 458 C ASP A 413 -1.698 0.242 5.214 1.00 0.00 C ATOM 459 O ASP A 413 -1.551 1.464 5.340 1.00 0.00 O ATOM 460 CB ASP A 413 -1.669 -0.801 7.492 1.00 0.00 C ATOM 461 CG ASP A 413 -1.502 0.474 8.297 1.00 0.00 C ATOM 462 OD1 ASP A 413 -0.350 0.819 8.648 1.00 0.00 O ATOM 463 OD2 ASP A 413 -2.522 1.131 8.595 1.00 0.00 O ATOM 0 H ASP A 413 0.620 0.240 7.068 1.00 0.00 H new ATOM 0 HA ASP A 413 -1.012 -1.729 5.675 1.00 0.00 H new ATOM 0 HB2 ASP A 413 -2.731 -0.996 7.345 1.00 0.00 H new ATOM 0 HB3 ASP A 413 -1.267 -1.639 8.061 1.00 0.00 H new ATOM 468 N VAL A 414 -2.473 -0.300 4.293 1.00 0.00 N ATOM 469 CA VAL A 414 -3.210 0.511 3.340 1.00 0.00 C ATOM 470 C VAL A 414 -4.635 0.728 3.808 1.00 0.00 C ATOM 471 O VAL A 414 -5.377 -0.223 4.050 1.00 0.00 O ATOM 472 CB VAL A 414 -3.234 -0.132 1.938 1.00 0.00 C ATOM 473 CG1 VAL A 414 -4.005 0.738 0.958 1.00 0.00 C ATOM 474 CG2 VAL A 414 -1.822 -0.374 1.437 1.00 0.00 C ATOM 0 H VAL A 414 -2.609 -1.305 4.184 1.00 0.00 H new ATOM 0 HA VAL A 414 -2.694 1.469 3.275 1.00 0.00 H new ATOM 0 HB VAL A 414 -3.742 -1.093 2.014 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -4.009 0.265 -0.024 1.00 0.00 H new ATOM 0 HG12 VAL A 414 -5.031 0.858 1.307 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -3.529 1.716 0.887 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -1.860 -0.828 0.447 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -1.288 0.575 1.381 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -1.302 -1.043 2.123 1.00 0.00 H new ATOM 484 N ALA A 415 -5.010 1.986 3.941 1.00 0.00 N ATOM 485 CA ALA A 415 -6.358 2.324 4.328 1.00 0.00 C ATOM 486 C ALA A 415 -7.209 2.622 3.105 1.00 0.00 C ATOM 487 O ALA A 415 -7.238 3.752 2.612 1.00 0.00 O ATOM 488 CB ALA A 415 -6.365 3.505 5.284 1.00 0.00 C ATOM 0 H ALA A 415 -4.398 2.787 3.786 1.00 0.00 H new ATOM 0 HA ALA A 415 -6.788 1.465 4.844 1.00 0.00 H new ATOM 0 HB1 ALA A 415 -7.392 3.742 5.562 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -5.796 3.252 6.179 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -5.912 4.369 4.798 1.00 0.00 H new ATOM 494 N CYS A 416 -7.872 1.599 2.596 1.00 0.00 N ATOM 495 CA CYS A 416 -8.833 1.778 1.520 1.00 0.00 C ATOM 496 C CYS A 416 -10.182 2.149 2.114 1.00 0.00 C ATOM 497 O CYS A 416 -10.446 1.870 3.284 1.00 0.00 O ATOM 498 CB CYS A 416 -8.962 0.506 0.680 1.00 0.00 C ATOM 499 SG CYS A 416 -7.445 0.047 -0.220 1.00 0.00 S ATOM 0 H CYS A 416 -7.763 0.635 2.910 1.00 0.00 H new ATOM 0 HA CYS A 416 -8.484 2.577 0.866 1.00 0.00 H new ATOM 0 HB2 CYS A 416 -9.248 -0.319 1.332 1.00 0.00 H new ATOM 0 HB3 CYS A 416 -9.771 0.639 -0.038 1.00 0.00 H new ATOM 504 N HIS A 417 -11.024 2.796 1.321 1.00 0.00 N ATOM 505 CA HIS A 417 -12.347 3.182 1.791 1.00 0.00 C ATOM 506 C HIS A 417 -13.218 1.947 1.978 1.00 0.00 C ATOM 507 O HIS A 417 -12.961 0.901 1.386 1.00 0.00 O ATOM 508 CB HIS A 417 -13.020 4.153 0.818 1.00 0.00 C ATOM 509 CG HIS A 417 -12.456 5.543 0.836 1.00 0.00 C ATOM 510 ND1 HIS A 417 -11.229 6.015 0.510 1.00 0.00 N flip ATOM 511 CD2 HIS A 417 -13.191 6.643 1.218 1.00 0.00 C flip ATOM 512 CE1 HIS A 417 -11.252 7.372 0.702 1.00 0.00 C flip ATOM 513 NE2 HIS A 417 -12.444 7.725 1.128 1.00 0.00 N flip ATOM 0 H HIS A 417 -10.818 3.063 0.358 1.00 0.00 H new ATOM 0 HA HIS A 417 -12.229 3.688 2.749 1.00 0.00 H new ATOM 0 HB2 HIS A 417 -12.934 3.753 -0.192 1.00 0.00 H new ATOM 0 HB3 HIS A 417 -14.083 4.203 1.052 1.00 0.00 H new ATOM 0 HD2 HIS A 417 -14.221 6.622 1.542 1.00 0.00 H new ATOM 0 HE1 HIS A 417 -10.424 8.043 0.531 1.00 0.00 H new ATOM 0 HE2 HIS A 417 -12.741 8.675 1.351 1.00 0.00 H new ATOM 522 N PRO A 418 -14.268 2.074 2.797 1.00 0.00 N ATOM 523 CA PRO A 418 -15.161 0.967 3.144 1.00 0.00 C ATOM 524 C PRO A 418 -15.818 0.362 1.911 1.00 0.00 C ATOM 525 O PRO A 418 -16.632 1.009 1.245 1.00 0.00 O ATOM 526 CB PRO A 418 -16.208 1.621 4.051 1.00 0.00 C ATOM 527 CG PRO A 418 -15.578 2.879 4.533 1.00 0.00 C ATOM 528 CD PRO A 418 -14.687 3.329 3.421 1.00 0.00 C ATOM 0 HA PRO A 418 -14.631 0.143 3.621 1.00 0.00 H new ATOM 0 HB2 PRO A 418 -17.129 1.826 3.505 1.00 0.00 H new ATOM 0 HB3 PRO A 418 -16.470 0.968 4.884 1.00 0.00 H new ATOM 0 HG2 PRO A 418 -16.331 3.633 4.762 1.00 0.00 H new ATOM 0 HG3 PRO A 418 -15.009 2.708 5.447 1.00 0.00 H new ATOM 0 HD2 PRO A 418 -15.216 3.972 2.717 1.00 0.00 H new ATOM 0 HD3 PRO A 418 -13.835 3.897 3.793 1.00 0.00 H new ATOM 536 N GLY A 419 -15.463 -0.880 1.622 1.00 0.00 N ATOM 537 CA GLY A 419 -15.918 -1.530 0.411 1.00 0.00 C ATOM 538 C GLY A 419 -14.747 -1.960 -0.446 1.00 0.00 C ATOM 539 O GLY A 419 -14.876 -2.825 -1.314 1.00 0.00 O ATOM 0 H GLY A 419 -14.861 -1.455 2.212 1.00 0.00 H new ATOM 0 HA2 GLY A 419 -16.525 -2.399 0.666 1.00 0.00 H new ATOM 0 HA3 GLY A 419 -16.556 -0.850 -0.153 1.00 0.00 H new ATOM 543 N TYR A 420 -13.595 -1.354 -0.191 1.00 0.00 N ATOM 544 CA TYR A 420 -12.370 -1.680 -0.901 1.00 0.00 C ATOM 545 C TYR A 420 -11.310 -2.150 0.084 1.00 0.00 C ATOM 546 O TYR A 420 -11.252 -1.674 1.217 1.00 0.00 O ATOM 547 CB TYR A 420 -11.858 -0.457 -1.671 1.00 0.00 C ATOM 548 CG TYR A 420 -12.809 0.036 -2.742 1.00 0.00 C ATOM 549 CD1 TYR A 420 -13.790 0.980 -2.457 1.00 0.00 C ATOM 550 CD2 TYR A 420 -12.726 -0.446 -4.040 1.00 0.00 C ATOM 551 CE1 TYR A 420 -14.659 1.427 -3.437 1.00 0.00 C ATOM 552 CE2 TYR A 420 -13.589 -0.005 -5.026 1.00 0.00 C ATOM 553 CZ TYR A 420 -14.554 0.931 -4.719 1.00 0.00 C ATOM 554 OH TYR A 420 -15.418 1.370 -5.699 1.00 0.00 O ATOM 0 H TYR A 420 -13.486 -0.624 0.513 1.00 0.00 H new ATOM 0 HA TYR A 420 -12.580 -2.479 -1.612 1.00 0.00 H new ATOM 0 HB2 TYR A 420 -11.670 0.352 -0.965 1.00 0.00 H new ATOM 0 HB3 TYR A 420 -10.903 -0.705 -2.133 1.00 0.00 H new ATOM 0 HD1 TYR A 420 -13.875 1.371 -1.454 1.00 0.00 H new ATOM 0 HD2 TYR A 420 -11.973 -1.180 -4.285 1.00 0.00 H new ATOM 0 HE1 TYR A 420 -15.415 2.160 -3.199 1.00 0.00 H new ATOM 0 HE2 TYR A 420 -13.508 -0.391 -6.031 1.00 0.00 H new ATOM 0 HH TYR A 420 -15.208 0.922 -6.545 1.00 0.00 H new ATOM 564 N ALA A 421 -10.480 -3.086 -0.346 1.00 0.00 N ATOM 565 CA ALA A 421 -9.416 -3.610 0.498 1.00 0.00 C ATOM 566 C ALA A 421 -8.282 -4.147 -0.359 1.00 0.00 C ATOM 567 O ALA A 421 -8.288 -3.975 -1.580 1.00 0.00 O ATOM 568 CB ALA A 421 -9.952 -4.698 1.417 1.00 0.00 C ATOM 0 H ALA A 421 -10.522 -3.500 -1.277 1.00 0.00 H new ATOM 0 HA ALA A 421 -9.030 -2.799 1.116 1.00 0.00 H new ATOM 0 HB1 ALA A 421 -9.143 -5.078 2.041 1.00 0.00 H new ATOM 0 HB2 ALA A 421 -10.736 -4.285 2.052 1.00 0.00 H new ATOM 0 HB3 ALA A 421 -10.361 -5.511 0.818 1.00 0.00 H new ATOM 574 N LEU A 422 -7.313 -4.787 0.274 1.00 0.00 N ATOM 575 CA LEU A 422 -6.205 -5.382 -0.452 1.00 0.00 C ATOM 576 C LEU A 422 -6.478 -6.848 -0.750 1.00 0.00 C ATOM 577 O LEU A 422 -7.192 -7.533 -0.010 1.00 0.00 O ATOM 578 CB LEU A 422 -4.900 -5.253 0.329 1.00 0.00 C ATOM 579 CG LEU A 422 -4.274 -3.863 0.330 1.00 0.00 C ATOM 580 CD1 LEU A 422 -3.083 -3.817 1.270 1.00 0.00 C ATOM 581 CD2 LEU A 422 -3.846 -3.470 -1.072 1.00 0.00 C ATOM 0 H LEU A 422 -7.271 -4.907 1.286 1.00 0.00 H new ATOM 0 HA LEU A 422 -6.104 -4.840 -1.392 1.00 0.00 H new ATOM 0 HB2 LEU A 422 -5.083 -5.551 1.361 1.00 0.00 H new ATOM 0 HB3 LEU A 422 -4.178 -5.958 -0.083 1.00 0.00 H new ATOM 0 HG LEU A 422 -5.023 -3.152 0.679 1.00 0.00 H new ATOM 0 HD11 LEU A 422 -2.648 -2.817 1.258 1.00 0.00 H new ATOM 0 HD12 LEU A 422 -3.408 -4.059 2.282 1.00 0.00 H new ATOM 0 HD13 LEU A 422 -2.336 -4.541 0.946 1.00 0.00 H new ATOM 0 HD21 LEU A 422 -3.401 -2.475 -1.051 1.00 0.00 H new ATOM 0 HD22 LEU A 422 -3.114 -4.187 -1.443 1.00 0.00 H new ATOM 0 HD23 LEU A 422 -4.715 -3.465 -1.730 1.00 0.00 H new ATOM 593 N PRO A 423 -5.918 -7.317 -1.863 1.00 0.00 N ATOM 594 CA PRO A 423 -6.011 -8.710 -2.309 1.00 0.00 C ATOM 595 C PRO A 423 -5.562 -9.704 -1.243 1.00 0.00 C ATOM 596 O PRO A 423 -4.658 -9.415 -0.456 1.00 0.00 O ATOM 597 CB PRO A 423 -5.060 -8.757 -3.500 1.00 0.00 C ATOM 598 CG PRO A 423 -5.048 -7.366 -4.012 1.00 0.00 C ATOM 599 CD PRO A 423 -5.153 -6.492 -2.801 1.00 0.00 C ATOM 0 HA PRO A 423 -7.038 -8.990 -2.542 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -4.063 -9.080 -3.201 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -5.407 -9.458 -4.259 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -4.132 -7.160 -4.566 1.00 0.00 H new ATOM 0 HG3 PRO A 423 -5.880 -7.192 -4.695 1.00 0.00 H new ATOM 0 HD2 PRO A 423 -4.171 -6.234 -2.403 1.00 0.00 H new ATOM 0 HD3 PRO A 423 -5.663 -5.555 -3.023 1.00 0.00 H new ATOM 607 N LYS A 424 -6.201 -10.871 -1.233 1.00 0.00 N ATOM 608 CA LYS A 424 -5.865 -11.955 -0.309 1.00 0.00 C ATOM 609 C LYS A 424 -6.074 -11.541 1.146 1.00 0.00 C ATOM 610 O LYS A 424 -5.306 -11.922 2.035 1.00 0.00 O ATOM 611 CB LYS A 424 -4.435 -12.437 -0.546 1.00 0.00 C ATOM 612 CG LYS A 424 -4.237 -13.004 -1.938 1.00 0.00 C ATOM 613 CD LYS A 424 -2.816 -13.471 -2.158 1.00 0.00 C ATOM 614 CE LYS A 424 -2.624 -13.998 -3.570 1.00 0.00 C ATOM 615 NZ LYS A 424 -1.207 -14.345 -3.844 1.00 0.00 N ATOM 0 H LYS A 424 -6.969 -11.094 -1.867 1.00 0.00 H new ATOM 0 HA LYS A 424 -6.544 -12.785 -0.507 1.00 0.00 H new ATOM 0 HB2 LYS A 424 -3.745 -11.607 -0.394 1.00 0.00 H new ATOM 0 HB3 LYS A 424 -4.185 -13.199 0.192 1.00 0.00 H new ATOM 0 HG2 LYS A 424 -4.921 -13.838 -2.091 1.00 0.00 H new ATOM 0 HG3 LYS A 424 -4.489 -12.245 -2.679 1.00 0.00 H new ATOM 0 HD2 LYS A 424 -2.127 -12.646 -1.978 1.00 0.00 H new ATOM 0 HD3 LYS A 424 -2.572 -14.253 -1.439 1.00 0.00 H new ATOM 0 HE2 LYS A 424 -3.248 -14.879 -3.716 1.00 0.00 H new ATOM 0 HE3 LYS A 424 -2.959 -13.248 -4.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 424 -1.119 -14.700 -4.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 424 -0.614 -13.498 -3.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 424 -0.894 -15.080 -3.177 1.00 0.00 H new ATOM 629 N ALA A 425 -7.125 -10.750 1.358 1.00 0.00 N ATOM 630 CA ALA A 425 -7.554 -10.310 2.687 1.00 0.00 C ATOM 631 C ALA A 425 -6.450 -9.569 3.432 1.00 0.00 C ATOM 632 O ALA A 425 -6.415 -9.564 4.665 1.00 0.00 O ATOM 633 CB ALA A 425 -8.052 -11.494 3.506 1.00 0.00 C ATOM 0 H ALA A 425 -7.710 -10.392 0.603 1.00 0.00 H new ATOM 0 HA ALA A 425 -8.375 -9.607 2.546 1.00 0.00 H new ATOM 0 HB1 ALA A 425 -8.367 -11.149 4.491 1.00 0.00 H new ATOM 0 HB2 ALA A 425 -8.897 -11.959 2.997 1.00 0.00 H new ATOM 0 HB3 ALA A 425 -7.249 -12.223 3.617 1.00 0.00 H new ATOM 639 N GLN A 426 -5.560 -8.934 2.688 1.00 0.00 N ATOM 640 CA GLN A 426 -4.476 -8.182 3.282 1.00 0.00 C ATOM 641 C GLN A 426 -4.933 -6.775 3.644 1.00 0.00 C ATOM 642 O GLN A 426 -5.936 -6.278 3.126 1.00 0.00 O ATOM 643 CB GLN A 426 -3.293 -8.113 2.318 1.00 0.00 C ATOM 644 CG GLN A 426 -2.608 -9.449 2.082 1.00 0.00 C ATOM 645 CD GLN A 426 -2.033 -10.044 3.352 1.00 0.00 C ATOM 646 OE1 GLN A 426 -2.699 -10.801 4.053 1.00 0.00 O ATOM 647 NE2 GLN A 426 -0.792 -9.701 3.657 1.00 0.00 N ATOM 0 H GLN A 426 -5.570 -8.927 1.668 1.00 0.00 H new ATOM 0 HA GLN A 426 -4.164 -8.692 4.194 1.00 0.00 H new ATOM 0 HB2 GLN A 426 -3.639 -7.720 1.362 1.00 0.00 H new ATOM 0 HB3 GLN A 426 -2.561 -7.405 2.707 1.00 0.00 H new ATOM 0 HG2 GLN A 426 -3.324 -10.148 1.650 1.00 0.00 H new ATOM 0 HG3 GLN A 426 -1.809 -9.319 1.352 1.00 0.00 H new ATOM 0 HE21 GLN A 426 -0.273 -9.069 3.047 1.00 0.00 H new ATOM 0 HE22 GLN A 426 -0.354 -10.069 4.502 1.00 0.00 H new ATOM 656 N THR A 427 -4.197 -6.145 4.545 1.00 0.00 N ATOM 657 CA THR A 427 -4.438 -4.762 4.915 1.00 0.00 C ATOM 658 C THR A 427 -3.120 -4.028 4.886 1.00 0.00 C ATOM 659 O THR A 427 -3.036 -2.833 5.150 1.00 0.00 O ATOM 660 CB THR A 427 -5.066 -4.647 6.320 1.00 0.00 C ATOM 661 OG1 THR A 427 -4.647 -5.754 7.138 1.00 0.00 O ATOM 662 CG2 THR A 427 -6.586 -4.606 6.233 1.00 0.00 C ATOM 0 H THR A 427 -3.417 -6.578 5.039 1.00 0.00 H new ATOM 0 HA THR A 427 -5.142 -4.326 4.207 1.00 0.00 H new ATOM 0 HB THR A 427 -4.725 -3.717 6.774 1.00 0.00 H new ATOM 0 HG1 THR A 427 -5.048 -5.673 8.028 1.00 0.00 H new ATOM 0 HG21 THR A 427 -7.006 -4.525 7.236 1.00 0.00 H new ATOM 0 HG22 THR A 427 -6.893 -3.745 5.640 1.00 0.00 H new ATOM 0 HG23 THR A 427 -6.948 -5.519 5.761 1.00 0.00 H new ATOM 670 N THR A 428 -2.095 -4.779 4.535 1.00 0.00 N ATOM 671 CA THR A 428 -0.747 -4.316 4.579 1.00 0.00 C ATOM 672 C THR A 428 -0.011 -4.650 3.285 1.00 0.00 C ATOM 673 O THR A 428 -0.337 -5.627 2.608 1.00 0.00 O ATOM 674 CB THR A 428 -0.043 -4.988 5.756 1.00 0.00 C ATOM 675 OG1 THR A 428 -0.714 -6.214 6.090 1.00 0.00 O ATOM 676 CG2 THR A 428 0.017 -4.074 6.970 1.00 0.00 C ATOM 0 H THR A 428 -2.190 -5.741 4.208 1.00 0.00 H new ATOM 0 HA THR A 428 -0.745 -3.233 4.698 1.00 0.00 H new ATOM 0 HB THR A 428 0.982 -5.205 5.456 1.00 0.00 H new ATOM 0 HG1 THR A 428 -0.257 -6.642 6.844 1.00 0.00 H new ATOM 0 HG21 THR A 428 0.525 -4.587 7.787 1.00 0.00 H new ATOM 0 HG22 THR A 428 0.564 -3.166 6.715 1.00 0.00 H new ATOM 0 HG23 THR A 428 -0.995 -3.813 7.279 1.00 0.00 H new ATOM 684 N VAL A 429 0.970 -3.836 2.949 1.00 0.00 N ATOM 685 CA VAL A 429 1.798 -4.061 1.788 1.00 0.00 C ATOM 686 C VAL A 429 3.223 -3.690 2.119 1.00 0.00 C ATOM 687 O VAL A 429 3.483 -2.653 2.726 1.00 0.00 O ATOM 688 CB VAL A 429 1.294 -3.267 0.565 1.00 0.00 C ATOM 689 CG1 VAL A 429 1.214 -1.779 0.854 1.00 0.00 C ATOM 690 CG2 VAL A 429 2.153 -3.514 -0.640 1.00 0.00 C ATOM 0 H VAL A 429 1.214 -2.998 3.477 1.00 0.00 H new ATOM 0 HA VAL A 429 1.747 -5.117 1.522 1.00 0.00 H new ATOM 0 HB VAL A 429 0.287 -3.625 0.351 1.00 0.00 H new ATOM 0 HG11 VAL A 429 0.855 -1.255 -0.032 1.00 0.00 H new ATOM 0 HG12 VAL A 429 0.526 -1.606 1.682 1.00 0.00 H new ATOM 0 HG13 VAL A 429 2.203 -1.406 1.120 1.00 0.00 H new ATOM 0 HG21 VAL A 429 1.770 -2.940 -1.484 1.00 0.00 H new ATOM 0 HG22 VAL A 429 3.177 -3.207 -0.426 1.00 0.00 H new ATOM 0 HG23 VAL A 429 2.137 -4.576 -0.887 1.00 0.00 H new ATOM 700 N THR A 430 4.148 -4.558 1.771 1.00 0.00 N ATOM 701 CA THR A 430 5.517 -4.332 2.146 1.00 0.00 C ATOM 702 C THR A 430 6.405 -4.166 0.939 1.00 0.00 C ATOM 703 O THR A 430 6.035 -4.538 -0.170 1.00 0.00 O ATOM 704 CB THR A 430 6.075 -5.464 3.012 1.00 0.00 C ATOM 705 OG1 THR A 430 6.539 -6.544 2.190 1.00 0.00 O ATOM 706 CG2 THR A 430 5.029 -5.998 3.976 1.00 0.00 C ATOM 0 H THR A 430 3.977 -5.411 1.238 1.00 0.00 H new ATOM 0 HA THR A 430 5.516 -3.410 2.727 1.00 0.00 H new ATOM 0 HB THR A 430 6.904 -5.049 3.585 1.00 0.00 H new ATOM 0 HG1 THR A 430 6.894 -7.259 2.759 1.00 0.00 H new ATOM 0 HG21 THR A 430 5.461 -6.800 4.574 1.00 0.00 H new ATOM 0 HG22 THR A 430 4.696 -5.195 4.633 1.00 0.00 H new ATOM 0 HG23 THR A 430 4.178 -6.383 3.413 1.00 0.00 H new ATOM 714 N CYS A 431 7.585 -3.616 1.164 1.00 0.00 N ATOM 715 CA CYS A 431 8.502 -3.328 0.089 1.00 0.00 C ATOM 716 C CYS A 431 9.517 -4.450 -0.074 1.00 0.00 C ATOM 717 O CYS A 431 10.427 -4.608 0.744 1.00 0.00 O ATOM 718 CB CYS A 431 9.214 -2.011 0.361 1.00 0.00 C ATOM 719 SG CYS A 431 10.112 -1.344 -1.068 1.00 0.00 S ATOM 0 H CYS A 431 7.927 -3.360 2.090 1.00 0.00 H new ATOM 0 HA CYS A 431 7.935 -3.247 -0.839 1.00 0.00 H new ATOM 0 HB2 CYS A 431 8.480 -1.275 0.691 1.00 0.00 H new ATOM 0 HB3 CYS A 431 9.915 -2.153 1.183 1.00 0.00 H new ATOM 724 N MET A 432 9.334 -5.236 -1.123 1.00 0.00 N ATOM 725 CA MET A 432 10.282 -6.270 -1.489 1.00 0.00 C ATOM 726 C MET A 432 11.317 -5.662 -2.446 1.00 0.00 C ATOM 727 O MET A 432 11.506 -4.443 -2.451 1.00 0.00 O ATOM 728 CB MET A 432 9.546 -7.464 -2.127 1.00 0.00 C ATOM 729 CG MET A 432 9.155 -7.251 -3.578 1.00 0.00 C ATOM 730 SD MET A 432 8.262 -8.648 -4.292 1.00 0.00 S ATOM 731 CE MET A 432 9.492 -9.945 -4.157 1.00 0.00 C ATOM 0 H MET A 432 8.526 -5.174 -1.742 1.00 0.00 H new ATOM 0 HA MET A 432 10.797 -6.647 -0.605 1.00 0.00 H new ATOM 0 HB2 MET A 432 10.182 -8.346 -2.060 1.00 0.00 H new ATOM 0 HB3 MET A 432 8.647 -7.674 -1.547 1.00 0.00 H new ATOM 0 HG2 MET A 432 8.536 -6.357 -3.652 1.00 0.00 H new ATOM 0 HG3 MET A 432 10.054 -7.065 -4.165 1.00 0.00 H new ATOM 0 HE1 MET A 432 9.240 -10.758 -4.838 1.00 0.00 H new ATOM 0 HE2 MET A 432 10.472 -9.545 -4.416 1.00 0.00 H new ATOM 0 HE3 MET A 432 9.513 -10.322 -3.134 1.00 0.00 H new ATOM 741 N GLU A 433 11.977 -6.492 -3.244 1.00 0.00 N ATOM 742 CA GLU A 433 12.999 -6.020 -4.174 1.00 0.00 C ATOM 743 C GLU A 433 12.467 -4.906 -5.077 1.00 0.00 C ATOM 744 O GLU A 433 12.983 -3.792 -5.076 1.00 0.00 O ATOM 745 CB GLU A 433 13.513 -7.171 -5.035 1.00 0.00 C ATOM 746 CG GLU A 433 14.616 -6.747 -5.987 1.00 0.00 C ATOM 747 CD GLU A 433 15.885 -6.332 -5.264 1.00 0.00 C ATOM 748 OE1 GLU A 433 16.731 -7.210 -4.993 1.00 0.00 O ATOM 749 OE2 GLU A 433 16.049 -5.128 -4.972 1.00 0.00 O ATOM 0 H GLU A 433 11.823 -7.500 -3.267 1.00 0.00 H new ATOM 0 HA GLU A 433 13.818 -5.618 -3.578 1.00 0.00 H new ATOM 0 HB2 GLU A 433 13.884 -7.965 -4.387 1.00 0.00 H new ATOM 0 HB3 GLU A 433 12.685 -7.588 -5.608 1.00 0.00 H new ATOM 0 HG2 GLU A 433 14.841 -7.570 -6.665 1.00 0.00 H new ATOM 0 HG3 GLU A 433 14.263 -5.917 -6.599 1.00 0.00 H new ATOM 756 N ASN A 434 11.426 -5.212 -5.834 1.00 0.00 N ATOM 757 CA ASN A 434 10.868 -4.254 -6.783 1.00 0.00 C ATOM 758 C ASN A 434 10.002 -3.213 -6.078 1.00 0.00 C ATOM 759 O ASN A 434 9.643 -2.192 -6.663 1.00 0.00 O ATOM 760 CB ASN A 434 10.051 -4.976 -7.861 1.00 0.00 C ATOM 761 CG ASN A 434 8.819 -5.680 -7.314 1.00 0.00 C ATOM 762 OD1 ASN A 434 7.760 -5.075 -7.151 1.00 0.00 O ATOM 763 ND2 ASN A 434 8.936 -6.973 -7.060 1.00 0.00 N ATOM 0 H ASN A 434 10.949 -6.113 -5.812 1.00 0.00 H new ATOM 0 HA ASN A 434 11.702 -3.737 -7.258 1.00 0.00 H new ATOM 0 HB2 ASN A 434 9.742 -4.254 -8.617 1.00 0.00 H new ATOM 0 HB3 ASN A 434 10.687 -5.707 -8.360 1.00 0.00 H new ATOM 0 HD21 ASN A 434 8.133 -7.500 -6.718 1.00 0.00 H new ATOM 0 HD22 ASN A 434 9.829 -7.443 -7.207 1.00 0.00 H new ATOM 770 N GLY A 435 9.690 -3.461 -4.819 1.00 0.00 N ATOM 771 CA GLY A 435 8.832 -2.563 -4.082 1.00 0.00 C ATOM 772 C GLY A 435 7.680 -3.293 -3.435 1.00 0.00 C ATOM 773 O GLY A 435 7.805 -4.467 -3.096 1.00 0.00 O ATOM 0 H GLY A 435 10.017 -4.271 -4.292 1.00 0.00 H new ATOM 0 HA2 GLY A 435 9.414 -2.051 -3.316 1.00 0.00 H new ATOM 0 HA3 GLY A 435 8.445 -1.797 -4.754 1.00 0.00 H new ATOM 777 N TRP A 436 6.564 -2.602 -3.273 1.00 0.00 N ATOM 778 CA TRP A 436 5.383 -3.158 -2.621 1.00 0.00 C ATOM 779 C TRP A 436 4.989 -4.505 -3.240 1.00 0.00 C ATOM 780 O TRP A 436 4.502 -4.567 -4.368 1.00 0.00 O ATOM 781 CB TRP A 436 4.232 -2.171 -2.747 1.00 0.00 C ATOM 782 CG TRP A 436 4.567 -0.788 -2.290 1.00 0.00 C ATOM 783 CD1 TRP A 436 4.518 0.354 -3.038 1.00 0.00 C ATOM 784 CD2 TRP A 436 5.006 -0.399 -0.988 1.00 0.00 C ATOM 785 NE1 TRP A 436 4.888 1.432 -2.276 1.00 0.00 N ATOM 786 CE2 TRP A 436 5.192 0.996 -1.011 1.00 0.00 C ATOM 787 CE3 TRP A 436 5.252 -1.097 0.197 1.00 0.00 C ATOM 788 CZ2 TRP A 436 5.613 1.708 0.105 1.00 0.00 C ATOM 789 CZ3 TRP A 436 5.674 -0.391 1.306 1.00 0.00 C ATOM 790 CH2 TRP A 436 5.849 1.000 1.255 1.00 0.00 C ATOM 0 H TRP A 436 6.448 -1.639 -3.589 1.00 0.00 H new ATOM 0 HA TRP A 436 5.613 -3.329 -1.569 1.00 0.00 H new ATOM 0 HB2 TRP A 436 3.913 -2.132 -3.788 1.00 0.00 H new ATOM 0 HB3 TRP A 436 3.385 -2.539 -2.168 1.00 0.00 H new ATOM 0 HD1 TRP A 436 4.230 0.401 -4.078 1.00 0.00 H new ATOM 0 HE1 TRP A 436 4.930 2.399 -2.597 1.00 0.00 H new ATOM 0 HE3 TRP A 436 5.115 -2.167 0.245 1.00 0.00 H new ATOM 0 HZ2 TRP A 436 5.749 2.779 0.068 1.00 0.00 H new ATOM 0 HZ3 TRP A 436 5.873 -0.918 2.228 1.00 0.00 H new ATOM 0 HH2 TRP A 436 6.177 1.524 2.141 1.00 0.00 H new ATOM 801 N SER A 437 5.183 -5.570 -2.473 1.00 0.00 N ATOM 802 CA SER A 437 4.995 -6.930 -2.961 1.00 0.00 C ATOM 803 C SER A 437 3.509 -7.296 -3.084 1.00 0.00 C ATOM 804 O SER A 437 3.084 -7.759 -4.142 1.00 0.00 O ATOM 805 CB SER A 437 5.750 -7.921 -2.073 1.00 0.00 C ATOM 806 OG SER A 437 5.513 -9.258 -2.470 1.00 0.00 O ATOM 0 H SER A 437 5.475 -5.516 -1.497 1.00 0.00 H new ATOM 0 HA SER A 437 5.411 -6.987 -3.967 1.00 0.00 H new ATOM 0 HB2 SER A 437 6.819 -7.711 -2.118 1.00 0.00 H new ATOM 0 HB3 SER A 437 5.443 -7.789 -1.036 1.00 0.00 H new ATOM 0 HG SER A 437 6.199 -9.535 -3.112 1.00 0.00 H new ATOM 812 N PRO A 438 2.683 -7.099 -2.026 1.00 0.00 N ATOM 813 CA PRO A 438 1.230 -7.286 -2.134 1.00 0.00 C ATOM 814 C PRO A 438 0.621 -6.395 -3.210 1.00 0.00 C ATOM 815 O PRO A 438 -0.455 -6.686 -3.737 1.00 0.00 O ATOM 816 CB PRO A 438 0.711 -6.859 -0.762 1.00 0.00 C ATOM 817 CG PRO A 438 1.854 -7.050 0.158 1.00 0.00 C ATOM 818 CD PRO A 438 3.072 -6.721 -0.649 1.00 0.00 C ATOM 0 HA PRO A 438 0.972 -8.309 -2.408 1.00 0.00 H new ATOM 0 HB2 PRO A 438 0.381 -5.820 -0.771 1.00 0.00 H new ATOM 0 HB3 PRO A 438 -0.145 -7.462 -0.459 1.00 0.00 H new ATOM 0 HG2 PRO A 438 1.771 -6.399 1.028 1.00 0.00 H new ATOM 0 HG3 PRO A 438 1.893 -8.074 0.529 1.00 0.00 H new ATOM 0 HD2 PRO A 438 3.327 -5.663 -0.579 1.00 0.00 H new ATOM 0 HD3 PRO A 438 3.943 -7.282 -0.309 1.00 0.00 H new ATOM 826 N THR A 439 1.337 -5.315 -3.526 1.00 0.00 N ATOM 827 CA THR A 439 0.887 -4.322 -4.489 1.00 0.00 C ATOM 828 C THR A 439 -0.326 -3.562 -3.951 1.00 0.00 C ATOM 829 O THR A 439 -1.426 -4.106 -3.856 1.00 0.00 O ATOM 830 CB THR A 439 0.551 -4.963 -5.848 1.00 0.00 C ATOM 831 OG1 THR A 439 1.638 -5.803 -6.258 1.00 0.00 O ATOM 832 CG2 THR A 439 0.300 -3.900 -6.909 1.00 0.00 C ATOM 0 H THR A 439 2.248 -5.108 -3.117 1.00 0.00 H new ATOM 0 HA THR A 439 1.706 -3.620 -4.642 1.00 0.00 H new ATOM 0 HB THR A 439 -0.358 -5.555 -5.736 1.00 0.00 H new ATOM 0 HG1 THR A 439 1.426 -6.214 -7.122 1.00 0.00 H new ATOM 0 HG21 THR A 439 0.065 -4.382 -7.858 1.00 0.00 H new ATOM 0 HG22 THR A 439 -0.537 -3.272 -6.604 1.00 0.00 H new ATOM 0 HG23 THR A 439 1.192 -3.284 -7.025 1.00 0.00 H new ATOM 840 N PRO A 440 -0.132 -2.291 -3.581 1.00 0.00 N ATOM 841 CA PRO A 440 -1.190 -1.485 -2.995 1.00 0.00 C ATOM 842 C PRO A 440 -2.252 -1.110 -4.020 1.00 0.00 C ATOM 843 O PRO A 440 -2.037 -0.262 -4.891 1.00 0.00 O ATOM 844 CB PRO A 440 -0.470 -0.249 -2.458 1.00 0.00 C ATOM 845 CG PRO A 440 0.853 -0.195 -3.143 1.00 0.00 C ATOM 846 CD PRO A 440 1.128 -1.551 -3.728 1.00 0.00 C ATOM 0 HA PRO A 440 -1.730 -2.023 -2.216 1.00 0.00 H new ATOM 0 HB2 PRO A 440 -1.047 0.653 -2.659 1.00 0.00 H new ATOM 0 HB3 PRO A 440 -0.344 -0.313 -1.377 1.00 0.00 H new ATOM 0 HG2 PRO A 440 0.846 0.564 -3.926 1.00 0.00 H new ATOM 0 HG3 PRO A 440 1.636 0.082 -2.438 1.00 0.00 H new ATOM 0 HD2 PRO A 440 1.422 -1.477 -4.775 1.00 0.00 H new ATOM 0 HD3 PRO A 440 1.942 -2.050 -3.202 1.00 0.00 H new ATOM 854 N ARG A 441 -3.394 -1.769 -3.917 1.00 0.00 N ATOM 855 CA ARG A 441 -4.499 -1.560 -4.834 1.00 0.00 C ATOM 856 C ARG A 441 -5.817 -1.874 -4.139 1.00 0.00 C ATOM 857 O ARG A 441 -5.994 -2.963 -3.592 1.00 0.00 O ATOM 858 CB ARG A 441 -4.321 -2.437 -6.076 1.00 0.00 C ATOM 859 CG ARG A 441 -3.937 -3.873 -5.748 1.00 0.00 C ATOM 860 CD ARG A 441 -3.565 -4.662 -6.987 1.00 0.00 C ATOM 861 NE ARG A 441 -2.853 -5.893 -6.649 1.00 0.00 N ATOM 862 CZ ARG A 441 -2.274 -6.688 -7.547 1.00 0.00 C ATOM 863 NH1 ARG A 441 -2.369 -6.406 -8.840 1.00 0.00 N ATOM 864 NH2 ARG A 441 -1.604 -7.764 -7.154 1.00 0.00 N ATOM 0 H ARG A 441 -3.580 -2.464 -3.194 1.00 0.00 H new ATOM 0 HA ARG A 441 -4.513 -0.516 -5.147 1.00 0.00 H new ATOM 0 HB2 ARG A 441 -5.249 -2.438 -6.648 1.00 0.00 H new ATOM 0 HB3 ARG A 441 -3.553 -2.000 -6.714 1.00 0.00 H new ATOM 0 HG2 ARG A 441 -3.097 -3.873 -5.053 1.00 0.00 H new ATOM 0 HG3 ARG A 441 -4.769 -4.364 -5.243 1.00 0.00 H new ATOM 0 HD2 ARG A 441 -4.467 -4.906 -7.548 1.00 0.00 H new ATOM 0 HD3 ARG A 441 -2.942 -4.047 -7.637 1.00 0.00 H new ATOM 0 HE ARG A 441 -2.796 -6.159 -5.666 1.00 0.00 H new ATOM 0 HH11 ARG A 441 -2.885 -5.581 -9.145 1.00 0.00 H new ATOM 0 HH12 ARG A 441 -1.926 -7.014 -9.529 1.00 0.00 H new ATOM 0 HH21 ARG A 441 -1.531 -7.985 -6.161 1.00 0.00 H new ATOM 0 HH22 ARG A 441 -1.162 -8.370 -7.845 1.00 0.00 H new ATOM 878 N CYS A 442 -6.732 -0.921 -4.151 1.00 0.00 N ATOM 879 CA CYS A 442 -8.006 -1.091 -3.467 1.00 0.00 C ATOM 880 C CYS A 442 -9.009 -1.819 -4.354 1.00 0.00 C ATOM 881 O CYS A 442 -9.716 -1.198 -5.150 1.00 0.00 O ATOM 882 CB CYS A 442 -8.579 0.261 -3.038 1.00 0.00 C ATOM 883 SG CYS A 442 -7.515 1.198 -1.891 1.00 0.00 S ATOM 0 H CYS A 442 -6.620 -0.024 -4.624 1.00 0.00 H new ATOM 0 HA CYS A 442 -7.824 -1.694 -2.577 1.00 0.00 H new ATOM 0 HB2 CYS A 442 -8.756 0.866 -3.927 1.00 0.00 H new ATOM 0 HB3 CYS A 442 -9.548 0.098 -2.565 1.00 0.00 H new ATOM 888 N ILE A 443 -9.061 -3.136 -4.221 1.00 0.00 N ATOM 889 CA ILE A 443 -10.033 -3.927 -4.940 1.00 0.00 C ATOM 890 C ILE A 443 -11.338 -3.977 -4.161 1.00 0.00 C ATOM 891 O ILE A 443 -11.342 -4.068 -2.931 1.00 0.00 O ATOM 892 CB ILE A 443 -9.526 -5.358 -5.206 1.00 0.00 C ATOM 893 CG1 ILE A 443 -9.046 -6.025 -3.917 1.00 0.00 C ATOM 894 CG2 ILE A 443 -8.418 -5.344 -6.248 1.00 0.00 C ATOM 895 CD1 ILE A 443 -8.787 -7.508 -4.068 1.00 0.00 C ATOM 0 H ILE A 443 -8.438 -3.675 -3.619 1.00 0.00 H new ATOM 0 HA ILE A 443 -10.199 -3.450 -5.906 1.00 0.00 H new ATOM 0 HB ILE A 443 -10.360 -5.944 -5.593 1.00 0.00 H new ATOM 0 HG12 ILE A 443 -8.131 -5.536 -3.583 1.00 0.00 H new ATOM 0 HG13 ILE A 443 -9.792 -5.872 -3.138 1.00 0.00 H new ATOM 0 HG21 ILE A 443 -8.071 -6.362 -6.424 1.00 0.00 H new ATOM 0 HG22 ILE A 443 -8.799 -4.924 -7.179 1.00 0.00 H new ATOM 0 HG23 ILE A 443 -7.588 -4.735 -5.889 1.00 0.00 H new ATOM 0 HD11 ILE A 443 -8.449 -7.917 -3.116 1.00 0.00 H new ATOM 0 HD12 ILE A 443 -9.706 -8.009 -4.373 1.00 0.00 H new ATOM 0 HD13 ILE A 443 -8.019 -7.668 -4.825 1.00 0.00 H new ATOM 907 N ARG A 444 -12.442 -3.882 -4.880 1.00 0.00 N ATOM 908 CA ARG A 444 -13.750 -3.875 -4.293 1.00 0.00 C ATOM 909 C ARG A 444 -14.105 -5.239 -3.752 1.00 0.00 C ATOM 910 O ARG A 444 -14.088 -6.248 -4.462 1.00 0.00 O ATOM 911 CB ARG A 444 -14.750 -3.419 -5.346 1.00 0.00 C ATOM 912 CG ARG A 444 -16.117 -3.161 -4.789 1.00 0.00 C ATOM 913 CD ARG A 444 -17.056 -2.596 -5.842 1.00 0.00 C ATOM 914 NE ARG A 444 -18.365 -2.258 -5.293 1.00 0.00 N ATOM 915 CZ ARG A 444 -19.102 -1.227 -5.711 1.00 0.00 C ATOM 916 NH1 ARG A 444 -18.655 -0.442 -6.686 1.00 0.00 N ATOM 917 NH2 ARG A 444 -20.287 -0.983 -5.161 1.00 0.00 N ATOM 0 H ARG A 444 -12.445 -3.807 -5.897 1.00 0.00 H new ATOM 0 HA ARG A 444 -13.773 -3.184 -3.450 1.00 0.00 H new ATOM 0 HB2 ARG A 444 -14.380 -2.510 -5.819 1.00 0.00 H new ATOM 0 HB3 ARG A 444 -14.819 -4.178 -6.125 1.00 0.00 H new ATOM 0 HG2 ARG A 444 -16.530 -4.089 -4.394 1.00 0.00 H new ATOM 0 HG3 ARG A 444 -16.044 -2.464 -3.955 1.00 0.00 H new ATOM 0 HD2 ARG A 444 -16.609 -1.706 -6.284 1.00 0.00 H new ATOM 0 HD3 ARG A 444 -17.178 -3.323 -6.645 1.00 0.00 H new ATOM 0 HE ARG A 444 -18.738 -2.844 -4.546 1.00 0.00 H new ATOM 0 HH11 ARG A 444 -17.748 -0.628 -7.115 1.00 0.00 H new ATOM 0 HH12 ARG A 444 -19.219 0.346 -7.005 1.00 0.00 H new ATOM 0 HH21 ARG A 444 -20.637 -1.585 -4.416 1.00 0.00 H new ATOM 0 HH22 ARG A 444 -20.846 -0.194 -5.484 1.00 0.00 H new ATOM 931 N VAL A 445 -14.400 -5.240 -2.474 1.00 0.00 N ATOM 932 CA VAL A 445 -14.778 -6.430 -1.758 1.00 0.00 C ATOM 933 C VAL A 445 -16.177 -6.856 -2.168 1.00 0.00 C ATOM 934 O VAL A 445 -16.438 -8.030 -2.430 1.00 0.00 O ATOM 935 CB VAL A 445 -14.743 -6.152 -0.249 1.00 0.00 C ATOM 936 CG1 VAL A 445 -15.209 -7.359 0.554 1.00 0.00 C ATOM 937 CG2 VAL A 445 -13.350 -5.726 0.174 1.00 0.00 C ATOM 0 H VAL A 445 -14.383 -4.400 -1.896 1.00 0.00 H new ATOM 0 HA VAL A 445 -14.078 -7.231 -1.996 1.00 0.00 H new ATOM 0 HB VAL A 445 -15.436 -5.337 -0.041 1.00 0.00 H new ATOM 0 HG11 VAL A 445 -15.171 -7.125 1.618 1.00 0.00 H new ATOM 0 HG12 VAL A 445 -16.232 -7.609 0.274 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -14.558 -8.208 0.346 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -13.339 -5.532 1.247 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -12.640 -6.520 -0.058 1.00 0.00 H new ATOM 0 HG23 VAL A 445 -13.068 -4.819 -0.362 1.00 0.00 H new ATOM 947 N LYS A 446 -17.065 -5.880 -2.234 1.00 0.00 N ATOM 948 CA LYS A 446 -18.436 -6.117 -2.645 1.00 0.00 C ATOM 949 C LYS A 446 -18.894 -5.033 -3.615 1.00 0.00 C ATOM 950 O LYS A 446 -19.016 -3.862 -3.197 1.00 0.00 O ATOM 951 CB LYS A 446 -19.366 -6.193 -1.426 1.00 0.00 C ATOM 952 CG LYS A 446 -19.267 -5.005 -0.478 1.00 0.00 C ATOM 953 CD LYS A 446 -20.217 -5.160 0.698 1.00 0.00 C ATOM 954 CE LYS A 446 -21.665 -5.257 0.241 1.00 0.00 C ATOM 955 NZ LYS A 446 -22.582 -5.549 1.374 1.00 0.00 N ATOM 956 OXT LYS A 446 -19.132 -5.353 -4.798 1.00 0.00 O ATOM 0 H LYS A 446 -16.858 -4.908 -2.006 1.00 0.00 H new ATOM 0 HA LYS A 446 -18.481 -7.077 -3.159 1.00 0.00 H new ATOM 0 HB2 LYS A 446 -20.395 -6.278 -1.775 1.00 0.00 H new ATOM 0 HB3 LYS A 446 -19.142 -7.104 -0.871 1.00 0.00 H new ATOM 0 HG2 LYS A 446 -18.244 -4.912 -0.113 1.00 0.00 H new ATOM 0 HG3 LYS A 446 -19.498 -4.086 -1.017 1.00 0.00 H new ATOM 0 HD2 LYS A 446 -19.953 -6.053 1.264 1.00 0.00 H new ATOM 0 HD3 LYS A 446 -20.104 -4.311 1.372 1.00 0.00 H new ATOM 0 HE2 LYS A 446 -21.960 -4.321 -0.234 1.00 0.00 H new ATOM 0 HE3 LYS A 446 -21.757 -6.039 -0.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 446 -23.559 -5.608 1.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 446 -22.316 -6.454 1.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 446 -22.513 -4.790 2.081 1.00 0.00 H new TER 970 LYS A 446