USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 585 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 30 MET CE :methyl -161:sc=-0.000693 (180deg=-0.597) USER MOD Set 1.2: A 72 MET CE :methyl -158:sc= -1.05 (180deg=-1.95) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot -73:sc= 0.564 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 0:sc= -1.55 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 82:sc= 0.555 USER MOD Single : A 23 GLN :FLIP amide:sc= -0.0242 F(o=-0.98,f=-0.024) USER MOD Single : A 26 MET CE :methyl 159:sc= -0.212 (180deg=-0.918) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -1.59 K(o=-1.6,f=-3.5!) USER MOD Single : A 48 SER OG : rot -123:sc= -0.46! USER MOD Single : A 49 ASN : amide:sc= 0.735 K(o=0.74,f=0) USER MOD Single : A 50 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 56 GLN : amide:sc= -1.3 K(o=-1.3,f=-6.1!) USER MOD Single : A 61 SER OG : rot 84:sc= 1.21 USER MOD Single : A 62 THR OG1 : rot 74:sc= 0.0982 USER MOD Single : A 65 THR OG1 : rot 140:sc= -0.711 USER MOD Single : A 66 TYR OH : rot 149:sc= 0.157 USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 4 12.242 -0.779 -15.424 1.00 0.00 N ATOM 2 CA MET A 4 11.824 -0.921 -14.024 1.00 0.00 C ATOM 3 C MET A 4 10.442 -0.315 -13.798 1.00 0.00 C ATOM 4 O MET A 4 9.930 0.427 -14.640 1.00 0.00 O ATOM 5 CB MET A 4 12.841 -0.273 -13.092 1.00 0.00 C ATOM 6 CG MET A 4 13.978 -1.191 -12.658 1.00 0.00 C ATOM 7 SD MET A 4 15.095 -1.605 -14.010 1.00 0.00 S ATOM 8 CE MET A 4 16.285 -2.632 -13.158 1.00 0.00 C ATOM 0 HA MET A 4 11.770 -1.986 -13.799 1.00 0.00 H new ATOM 0 HB2 MET A 4 13.265 0.600 -13.589 1.00 0.00 H new ATOM 0 HB3 MET A 4 12.322 0.087 -12.203 1.00 0.00 H new ATOM 0 HG2 MET A 4 14.543 -0.710 -11.860 1.00 0.00 H new ATOM 0 HG3 MET A 4 13.560 -2.109 -12.244 1.00 0.00 H new ATOM 0 HE1 MET A 4 17.045 -2.969 -13.863 1.00 0.00 H new ATOM 0 HE2 MET A 4 16.758 -2.057 -12.362 1.00 0.00 H new ATOM 0 HE3 MET A 4 15.779 -3.497 -12.730 1.00 0.00 H new ATOM 18 N ARG A 5 9.839 -0.656 -12.676 1.00 0.00 N ATOM 19 CA ARG A 5 8.470 -0.234 -12.363 1.00 0.00 C ATOM 20 C ARG A 5 8.395 1.273 -12.099 1.00 0.00 C ATOM 21 O ARG A 5 7.417 1.925 -12.459 1.00 0.00 O ATOM 22 CB ARG A 5 7.962 -1.007 -11.146 1.00 0.00 C ATOM 23 CG ARG A 5 8.292 -2.486 -11.194 1.00 0.00 C ATOM 24 CD ARG A 5 7.668 -3.251 -10.039 1.00 0.00 C ATOM 25 NE ARG A 5 8.171 -4.620 -9.926 1.00 0.00 N ATOM 26 CZ ARG A 5 7.782 -5.627 -10.720 1.00 0.00 C ATOM 27 NH1 ARG A 5 6.861 -5.424 -11.651 1.00 0.00 N ATOM 28 NH2 ARG A 5 8.286 -6.848 -10.540 1.00 0.00 N ATOM 0 H ARG A 5 10.273 -1.230 -11.953 1.00 0.00 H new ATOM 0 HA ARG A 5 7.839 -0.451 -13.225 1.00 0.00 H new ATOM 0 HB2 ARG A 5 8.394 -0.575 -10.243 1.00 0.00 H new ATOM 0 HB3 ARG A 5 6.881 -0.885 -11.072 1.00 0.00 H new ATOM 0 HG2 ARG A 5 7.940 -2.905 -12.137 1.00 0.00 H new ATOM 0 HG3 ARG A 5 9.374 -2.616 -11.171 1.00 0.00 H new ATOM 0 HD2 ARG A 5 7.865 -2.719 -9.108 1.00 0.00 H new ATOM 0 HD3 ARG A 5 6.586 -3.276 -10.169 1.00 0.00 H new ATOM 0 HE ARG A 5 8.859 -4.820 -9.200 1.00 0.00 H new ATOM 0 HH11 ARG A 5 6.446 -4.499 -11.765 1.00 0.00 H new ATOM 0 HH12 ARG A 5 6.567 -6.193 -12.254 1.00 0.00 H new ATOM 0 HH21 ARG A 5 8.967 -7.015 -9.799 1.00 0.00 H new ATOM 0 HH22 ARG A 5 7.991 -7.616 -11.143 1.00 0.00 H new ATOM 42 N SER A 6 9.448 1.806 -11.478 1.00 0.00 N ATOM 43 CA SER A 6 9.469 3.180 -10.993 1.00 0.00 C ATOM 44 C SER A 6 9.499 4.231 -12.116 1.00 0.00 C ATOM 45 O SER A 6 9.540 5.430 -11.844 1.00 0.00 O ATOM 46 CB SER A 6 10.676 3.379 -10.079 1.00 0.00 C ATOM 47 OG SER A 6 10.749 2.357 -9.115 1.00 0.00 O ATOM 0 H SER A 6 10.311 1.293 -11.298 1.00 0.00 H new ATOM 0 HA SER A 6 8.537 3.332 -10.449 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.590 3.390 -10.673 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.607 4.347 -9.584 1.00 0.00 H new ATOM 0 HG SER A 6 10.045 2.487 -8.446 1.00 0.00 H new ATOM 53 N GLU A 7 9.476 3.788 -13.371 1.00 0.00 N ATOM 54 CA GLU A 7 9.594 4.721 -14.504 1.00 0.00 C ATOM 55 C GLU A 7 8.314 5.512 -14.727 1.00 0.00 C ATOM 56 O GLU A 7 8.286 6.703 -14.487 1.00 0.00 O ATOM 57 CB GLU A 7 9.989 3.981 -15.761 1.00 0.00 C ATOM 58 CG GLU A 7 11.434 3.484 -15.741 1.00 0.00 C ATOM 59 CD GLU A 7 11.795 2.762 -16.999 1.00 0.00 C ATOM 60 OE1 GLU A 7 12.148 3.421 -18.000 1.00 0.00 O ATOM 61 OE2 GLU A 7 11.700 1.527 -17.015 1.00 0.00 O ATOM 0 H GLU A 7 9.379 2.807 -13.633 1.00 0.00 H new ATOM 0 HA GLU A 7 10.378 5.437 -14.256 1.00 0.00 H new ATOM 0 HB2 GLU A 7 9.321 3.130 -15.899 1.00 0.00 H new ATOM 0 HB3 GLU A 7 9.850 4.638 -16.620 1.00 0.00 H new ATOM 0 HG2 GLU A 7 12.107 4.330 -15.603 1.00 0.00 H new ATOM 0 HG3 GLU A 7 11.577 2.820 -14.888 1.00 0.00 H new ATOM 68 N PHE A 8 7.265 4.826 -15.200 1.00 0.00 N ATOM 69 CA PHE A 8 6.005 5.485 -15.537 1.00 0.00 C ATOM 70 C PHE A 8 6.228 6.639 -16.508 1.00 0.00 C ATOM 71 O PHE A 8 7.217 6.669 -17.228 1.00 0.00 O ATOM 72 CB PHE A 8 5.302 5.988 -14.268 1.00 0.00 C ATOM 73 CG PHE A 8 4.533 4.922 -13.538 1.00 0.00 C ATOM 74 CD1 PHE A 8 5.167 4.102 -12.620 1.00 0.00 C ATOM 75 CD2 PHE A 8 3.187 4.748 -13.771 1.00 0.00 C ATOM 76 CE1 PHE A 8 4.456 3.121 -11.948 1.00 0.00 C ATOM 77 CE2 PHE A 8 2.480 3.775 -13.118 1.00 0.00 C ATOM 78 CZ PHE A 8 3.111 2.953 -12.203 1.00 0.00 C ATOM 0 H PHE A 8 7.268 3.818 -15.356 1.00 0.00 H new ATOM 0 HA PHE A 8 5.366 4.749 -16.025 1.00 0.00 H new ATOM 0 HB2 PHE A 8 6.047 6.411 -13.594 1.00 0.00 H new ATOM 0 HB3 PHE A 8 4.620 6.795 -14.537 1.00 0.00 H new ATOM 0 HD1 PHE A 8 6.222 4.228 -12.427 1.00 0.00 H new ATOM 0 HD2 PHE A 8 2.682 5.388 -14.479 1.00 0.00 H new ATOM 0 HE1 PHE A 8 4.953 2.490 -11.227 1.00 0.00 H new ATOM 0 HE2 PHE A 8 1.426 3.649 -13.318 1.00 0.00 H new ATOM 0 HZ PHE A 8 2.554 2.183 -11.690 1.00 0.00 H new ATOM 88 N ALA A 9 5.279 7.566 -16.545 1.00 0.00 N ATOM 89 CA ALA A 9 5.424 8.779 -17.335 1.00 0.00 C ATOM 90 C ALA A 9 6.422 9.719 -16.686 1.00 0.00 C ATOM 91 O ALA A 9 7.328 10.238 -17.349 1.00 0.00 O ATOM 92 CB ALA A 9 4.082 9.475 -17.517 1.00 0.00 C ATOM 0 H ALA A 9 4.398 7.499 -16.035 1.00 0.00 H new ATOM 0 HA ALA A 9 5.798 8.498 -18.320 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.218 10.379 -18.111 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.391 8.805 -18.029 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.674 9.740 -16.541 1.00 0.00 H new ATOM 98 N SER A 10 6.276 9.920 -15.390 1.00 0.00 N ATOM 99 CA SER A 10 7.179 10.768 -14.634 1.00 0.00 C ATOM 100 C SER A 10 7.617 10.104 -13.343 1.00 0.00 C ATOM 101 O SER A 10 8.354 10.685 -12.540 1.00 0.00 O ATOM 102 CB SER A 10 6.509 12.107 -14.334 1.00 0.00 C ATOM 103 OG SER A 10 6.005 12.691 -15.529 1.00 0.00 O ATOM 0 H SER A 10 5.531 9.502 -14.833 1.00 0.00 H new ATOM 0 HA SER A 10 8.069 10.935 -15.241 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.696 11.962 -13.622 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.226 12.782 -13.866 1.00 0.00 H new ATOM 0 HG SER A 10 5.577 13.548 -15.319 1.00 0.00 H new ATOM 109 N GLY A 11 7.145 8.879 -13.143 1.00 0.00 N ATOM 110 CA GLY A 11 7.465 8.119 -11.952 1.00 0.00 C ATOM 111 C GLY A 11 6.684 8.600 -10.762 1.00 0.00 C ATOM 112 O GLY A 11 6.716 7.992 -9.682 1.00 0.00 O ATOM 0 H GLY A 11 6.535 8.392 -13.799 1.00 0.00 H new ATOM 0 HA2 GLY A 11 7.253 7.064 -12.125 1.00 0.00 H new ATOM 0 HA3 GLY A 11 8.532 8.199 -11.744 1.00 0.00 H new ATOM 116 N ASN A 12 5.937 9.678 -10.963 1.00 0.00 N ATOM 117 CA ASN A 12 5.171 10.298 -9.898 1.00 0.00 C ATOM 118 C ASN A 12 3.993 9.426 -9.503 1.00 0.00 C ATOM 119 O ASN A 12 3.529 9.459 -8.363 1.00 0.00 O ATOM 120 CB ASN A 12 4.696 11.696 -10.265 1.00 0.00 C ATOM 121 CG ASN A 12 5.833 12.637 -10.544 1.00 0.00 C ATOM 122 OD1 ASN A 12 6.925 12.491 -10.008 1.00 0.00 O ATOM 123 ND2 ASN A 12 5.598 13.614 -11.393 1.00 0.00 N ATOM 0 H ASN A 12 5.847 10.143 -11.866 1.00 0.00 H new ATOM 0 HA ASN A 12 5.841 10.397 -9.044 1.00 0.00 H new ATOM 0 HB2 ASN A 12 4.053 11.638 -11.143 1.00 0.00 H new ATOM 0 HB3 ASN A 12 4.090 12.095 -9.452 1.00 0.00 H new ATOM 0 HD21 ASN A 12 6.337 14.279 -11.623 1.00 0.00 H new ATOM 0 HD22 ASN A 12 4.677 13.707 -11.822 1.00 0.00 H new ATOM 130 N THR A 13 3.507 8.627 -10.451 1.00 0.00 N ATOM 131 CA THR A 13 2.412 7.720 -10.180 1.00 0.00 C ATOM 132 C THR A 13 2.902 6.592 -9.282 1.00 0.00 C ATOM 133 O THR A 13 2.165 6.090 -8.429 1.00 0.00 O ATOM 134 CB THR A 13 1.865 7.130 -11.497 1.00 0.00 C ATOM 135 OG1 THR A 13 1.730 8.186 -12.470 1.00 0.00 O ATOM 136 CG2 THR A 13 0.506 6.502 -11.259 1.00 0.00 C ATOM 0 H THR A 13 3.858 8.595 -11.408 1.00 0.00 H new ATOM 0 HA THR A 13 1.612 8.268 -9.682 1.00 0.00 H new ATOM 0 HB THR A 13 2.555 6.369 -11.862 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.384 7.816 -13.309 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.128 6.088 -12.194 1.00 0.00 H new ATOM 0 HG22 THR A 13 0.598 5.706 -10.520 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.186 7.260 -10.891 1.00 0.00 H new ATOM 144 N TYR A 14 4.152 6.193 -9.496 1.00 0.00 N ATOM 145 CA TYR A 14 4.771 5.177 -8.675 1.00 0.00 C ATOM 146 C TYR A 14 4.991 5.724 -7.261 1.00 0.00 C ATOM 147 O TYR A 14 4.765 5.027 -6.280 1.00 0.00 O ATOM 148 CB TYR A 14 6.113 4.748 -9.300 1.00 0.00 C ATOM 149 CG TYR A 14 6.758 3.581 -8.564 1.00 0.00 C ATOM 150 CD1 TYR A 14 6.292 2.293 -8.742 1.00 0.00 C ATOM 151 CD2 TYR A 14 7.837 3.785 -7.719 1.00 0.00 C ATOM 152 CE1 TYR A 14 6.866 1.225 -8.097 1.00 0.00 C ATOM 153 CE2 TYR A 14 8.425 2.720 -7.062 1.00 0.00 C ATOM 154 CZ TYR A 14 7.937 1.447 -7.240 1.00 0.00 C ATOM 155 OH TYR A 14 8.512 0.391 -6.573 1.00 0.00 O ATOM 0 H TYR A 14 4.751 6.563 -10.234 1.00 0.00 H new ATOM 0 HA TYR A 14 4.118 4.306 -8.619 1.00 0.00 H new ATOM 0 HB2 TYR A 14 5.952 4.471 -10.342 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.798 5.596 -9.298 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.456 2.122 -9.404 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.222 4.783 -7.572 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.490 0.225 -8.254 1.00 0.00 H new ATOM 0 HE2 TYR A 14 9.268 2.888 -6.409 1.00 0.00 H new ATOM 0 HH TYR A 14 8.049 -0.439 -6.813 1.00 0.00 H new ATOM 165 N ALA A 15 5.422 6.976 -7.193 1.00 0.00 N ATOM 166 CA ALA A 15 5.583 7.680 -5.923 1.00 0.00 C ATOM 167 C ALA A 15 4.263 7.710 -5.139 1.00 0.00 C ATOM 168 O ALA A 15 4.257 7.643 -3.927 1.00 0.00 O ATOM 169 CB ALA A 15 6.080 9.099 -6.166 1.00 0.00 C ATOM 0 H ALA A 15 5.670 7.532 -8.011 1.00 0.00 H new ATOM 0 HA ALA A 15 6.321 7.142 -5.329 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.196 9.612 -5.211 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.041 9.065 -6.679 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.359 9.636 -6.782 1.00 0.00 H new ATOM 175 N LEU A 16 3.160 7.793 -5.863 1.00 0.00 N ATOM 176 CA LEU A 16 1.837 7.747 -5.262 1.00 0.00 C ATOM 177 C LEU A 16 1.506 6.331 -4.795 1.00 0.00 C ATOM 178 O LEU A 16 0.968 6.138 -3.696 1.00 0.00 O ATOM 179 CB LEU A 16 0.793 8.228 -6.278 1.00 0.00 C ATOM 180 CG LEU A 16 -0.641 8.280 -5.769 1.00 0.00 C ATOM 181 CD1 LEU A 16 -0.775 9.261 -4.620 1.00 0.00 C ATOM 182 CD2 LEU A 16 -1.600 8.651 -6.904 1.00 0.00 C ATOM 0 H LEU A 16 3.155 7.894 -6.878 1.00 0.00 H new ATOM 0 HA LEU A 16 1.823 8.404 -4.393 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.075 9.224 -6.619 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.828 7.571 -7.147 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.905 7.289 -5.400 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.809 9.279 -4.275 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.125 8.953 -3.801 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.488 10.257 -4.957 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.620 8.683 -6.522 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.331 9.629 -7.303 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.533 7.905 -7.696 1.00 0.00 H new ATOM 194 N TYR A 17 1.847 5.364 -5.626 1.00 0.00 N ATOM 195 CA TYR A 17 1.597 3.965 -5.318 1.00 0.00 C ATOM 196 C TYR A 17 2.342 3.527 -4.081 1.00 0.00 C ATOM 197 O TYR A 17 1.733 3.018 -3.123 1.00 0.00 O ATOM 198 CB TYR A 17 2.000 3.105 -6.524 1.00 0.00 C ATOM 199 CG TYR A 17 1.864 1.611 -6.312 1.00 0.00 C ATOM 200 CD1 TYR A 17 0.631 0.986 -6.423 1.00 0.00 C ATOM 201 CD2 TYR A 17 2.969 0.824 -6.018 1.00 0.00 C ATOM 202 CE1 TYR A 17 0.507 -0.376 -6.247 1.00 0.00 C ATOM 203 CE2 TYR A 17 2.854 -0.538 -5.838 1.00 0.00 C ATOM 204 CZ TYR A 17 1.616 -1.140 -5.950 1.00 0.00 C ATOM 205 OH TYR A 17 1.481 -2.502 -5.775 1.00 0.00 O ATOM 0 H TYR A 17 2.301 5.522 -6.526 1.00 0.00 H new ATOM 0 HA TYR A 17 0.534 3.837 -5.114 1.00 0.00 H new ATOM 0 HB2 TYR A 17 1.389 3.394 -7.379 1.00 0.00 H new ATOM 0 HB3 TYR A 17 3.035 3.329 -6.782 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -0.245 1.575 -6.651 1.00 0.00 H new ATOM 0 HD2 TYR A 17 3.940 1.289 -5.928 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.461 -0.846 -6.342 1.00 0.00 H new ATOM 0 HE2 TYR A 17 3.727 -1.131 -5.611 1.00 0.00 H new ATOM 0 HH TYR A 17 2.356 -2.894 -5.572 1.00 0.00 H new ATOM 215 N VAL A 18 3.650 3.725 -4.069 1.00 0.00 N ATOM 216 CA VAL A 18 4.484 3.301 -2.958 1.00 0.00 C ATOM 217 C VAL A 18 4.041 3.902 -1.613 1.00 0.00 C ATOM 218 O VAL A 18 4.223 3.283 -0.579 1.00 0.00 O ATOM 219 CB VAL A 18 5.974 3.623 -3.198 1.00 0.00 C ATOM 220 CG1 VAL A 18 6.504 2.798 -4.359 1.00 0.00 C ATOM 221 CG2 VAL A 18 6.185 5.090 -3.477 1.00 0.00 C ATOM 0 H VAL A 18 4.161 4.182 -4.825 1.00 0.00 H new ATOM 0 HA VAL A 18 4.359 2.220 -2.902 1.00 0.00 H new ATOM 0 HB VAL A 18 6.520 3.370 -2.289 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.556 3.032 -4.521 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.399 1.738 -4.130 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.937 3.032 -5.260 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.246 5.280 -3.641 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.623 5.376 -4.366 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.839 5.676 -2.625 1.00 0.00 H new ATOM 231 N ARG A 19 3.448 5.095 -1.656 1.00 0.00 N ATOM 232 CA ARG A 19 2.967 5.767 -0.452 1.00 0.00 C ATOM 233 C ARG A 19 2.148 4.836 0.449 1.00 0.00 C ATOM 234 O ARG A 19 2.401 4.746 1.645 1.00 0.00 O ATOM 235 CB ARG A 19 2.127 6.981 -0.827 1.00 0.00 C ATOM 236 CG ARG A 19 2.685 8.303 -0.341 1.00 0.00 C ATOM 237 CD ARG A 19 2.687 8.409 1.178 1.00 0.00 C ATOM 238 NE ARG A 19 3.773 7.663 1.813 1.00 0.00 N ATOM 239 CZ ARG A 19 3.749 7.257 3.079 1.00 0.00 C ATOM 240 NH1 ARG A 19 2.667 7.449 3.834 1.00 0.00 N ATOM 241 NH2 ARG A 19 4.809 6.646 3.590 1.00 0.00 N ATOM 0 H ARG A 19 3.289 5.617 -2.518 1.00 0.00 H new ATOM 0 HA ARG A 19 3.847 6.082 0.109 1.00 0.00 H new ATOM 0 HB2 ARG A 19 2.029 7.019 -1.912 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.124 6.853 -0.421 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.703 8.423 -0.712 1.00 0.00 H new ATOM 0 HG3 ARG A 19 2.095 9.119 -0.759 1.00 0.00 H new ATOM 0 HD2 ARG A 19 2.764 9.459 1.461 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.734 8.045 1.561 1.00 0.00 H new ATOM 0 HE ARG A 19 4.596 7.441 1.253 1.00 0.00 H new ATOM 0 HH11 ARG A 19 1.847 7.911 3.442 1.00 0.00 H new ATOM 0 HH12 ARG A 19 2.659 7.134 4.804 1.00 0.00 H new ATOM 0 HH21 ARG A 19 5.635 6.490 3.013 1.00 0.00 H new ATOM 0 HH22 ARG A 19 4.798 6.332 4.560 1.00 0.00 H new ATOM 255 N ASP A 20 1.186 4.140 -0.115 1.00 0.00 N ATOM 256 CA ASP A 20 0.325 3.258 0.686 1.00 0.00 C ATOM 257 C ASP A 20 0.955 1.869 0.834 1.00 0.00 C ATOM 258 O ASP A 20 0.657 1.141 1.778 1.00 0.00 O ATOM 259 CB ASP A 20 -1.085 3.143 0.085 1.00 0.00 C ATOM 260 CG ASP A 20 -1.130 2.385 -1.228 1.00 0.00 C ATOM 261 OD1 ASP A 20 -1.055 1.129 -1.218 1.00 0.00 O ATOM 262 OD2 ASP A 20 -1.267 3.027 -2.274 1.00 0.00 O ATOM 0 H ASP A 20 0.971 4.157 -1.112 1.00 0.00 H new ATOM 0 HA ASP A 20 0.231 3.707 1.675 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -1.737 2.646 0.803 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -1.487 4.144 -0.070 1.00 0.00 H new ATOM 267 N THR A 21 1.845 1.519 -0.082 1.00 0.00 N ATOM 268 CA THR A 21 2.398 0.167 -0.144 1.00 0.00 C ATOM 269 C THR A 21 3.617 0.034 0.766 1.00 0.00 C ATOM 270 O THR A 21 3.945 -1.050 1.225 1.00 0.00 O ATOM 271 CB THR A 21 2.790 -0.188 -1.592 1.00 0.00 C ATOM 272 OG1 THR A 21 1.692 0.116 -2.475 1.00 0.00 O ATOM 273 CG2 THR A 21 3.132 -1.666 -1.728 1.00 0.00 C ATOM 0 H THR A 21 2.203 2.152 -0.797 1.00 0.00 H new ATOM 0 HA THR A 21 1.629 -0.525 0.199 1.00 0.00 H new ATOM 0 HB THR A 21 3.669 0.400 -1.856 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.700 1.072 -2.690 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.404 -1.883 -2.761 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.970 -1.907 -1.074 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.267 -2.267 -1.447 1.00 0.00 H new ATOM 281 N LEU A 22 4.285 1.142 1.016 1.00 0.00 N ATOM 282 CA LEU A 22 5.480 1.149 1.847 1.00 0.00 C ATOM 283 C LEU A 22 5.124 1.092 3.324 1.00 0.00 C ATOM 284 O LEU A 22 4.736 2.083 3.926 1.00 0.00 O ATOM 285 CB LEU A 22 6.351 2.362 1.567 1.00 0.00 C ATOM 286 CG LEU A 22 7.487 2.137 0.544 1.00 0.00 C ATOM 287 CD1 LEU A 22 8.513 1.165 1.107 1.00 0.00 C ATOM 288 CD2 LEU A 22 6.923 1.604 -0.748 1.00 0.00 C ATOM 0 H LEU A 22 4.021 2.058 0.654 1.00 0.00 H new ATOM 0 HA LEU A 22 6.049 0.255 1.591 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.715 3.170 1.207 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.791 2.697 2.506 1.00 0.00 H new ATOM 0 HG LEU A 22 7.977 3.091 0.347 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.309 1.014 0.378 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.935 1.573 2.026 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.031 0.211 1.321 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.732 1.449 -1.462 1.00 0.00 H new ATOM 0 HD22 LEU A 22 6.418 0.656 -0.561 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.211 2.320 -1.157 1.00 0.00 H new ATOM 300 N GLN A 23 5.243 -0.106 3.869 1.00 0.00 N ATOM 301 CA GLN A 23 5.108 -0.329 5.295 1.00 0.00 C ATOM 302 C GLN A 23 6.487 -0.396 5.919 1.00 0.00 C ATOM 303 O GLN A 23 7.399 -0.993 5.336 1.00 0.00 O ATOM 304 CB GLN A 23 4.325 -1.609 5.586 1.00 0.00 C ATOM 305 CG GLN A 23 2.899 -1.369 6.099 1.00 0.00 C ATOM 306 CD GLN A 23 2.029 -0.530 5.182 1.00 0.00 C ATOM 307 OE1 GLN A 23 2.328 -0.567 3.897 1.00 0.00 O flip ATOM 308 NE2 GLN A 23 1.103 0.152 5.633 1.00 0.00 N flip ATOM 0 H GLN A 23 5.436 -0.952 3.333 1.00 0.00 H new ATOM 0 HA GLN A 23 4.549 0.500 5.729 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.276 -2.207 4.676 1.00 0.00 H new ATOM 0 HB3 GLN A 23 4.871 -2.196 6.324 1.00 0.00 H new ATOM 0 HG2 GLN A 23 2.416 -2.334 6.254 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.955 -0.881 7.072 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.908 0.149 6.634 1.00 0.00 H new ATOM 0 HE22 GLN A 23 0.533 0.718 5.004 1.00 0.00 H new ATOM 317 N PRO A 24 6.662 0.251 7.078 1.00 0.00 N ATOM 318 CA PRO A 24 7.912 0.202 7.839 1.00 0.00 C ATOM 319 C PRO A 24 8.405 -1.240 8.034 1.00 0.00 C ATOM 320 O PRO A 24 7.882 -1.979 8.862 1.00 0.00 O ATOM 321 CB PRO A 24 7.539 0.834 9.171 1.00 0.00 C ATOM 322 CG PRO A 24 6.396 1.740 8.855 1.00 0.00 C ATOM 323 CD PRO A 24 5.652 1.090 7.716 1.00 0.00 C ATOM 0 HA PRO A 24 8.729 0.716 7.332 1.00 0.00 H new ATOM 0 HB2 PRO A 24 7.254 0.077 9.902 1.00 0.00 H new ATOM 0 HB3 PRO A 24 8.377 1.387 9.595 1.00 0.00 H new ATOM 0 HG2 PRO A 24 5.748 1.867 9.722 1.00 0.00 H new ATOM 0 HG3 PRO A 24 6.751 2.732 8.574 1.00 0.00 H new ATOM 0 HD2 PRO A 24 4.809 0.500 8.074 1.00 0.00 H new ATOM 0 HD3 PRO A 24 5.252 1.831 7.024 1.00 0.00 H new ATOM 331 N GLY A 25 9.388 -1.630 7.238 1.00 0.00 N ATOM 332 CA GLY A 25 9.870 -2.991 7.268 1.00 0.00 C ATOM 333 C GLY A 25 9.935 -3.621 5.889 1.00 0.00 C ATOM 334 O GLY A 25 10.490 -4.708 5.720 1.00 0.00 O ATOM 0 H GLY A 25 9.862 -1.023 6.569 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.862 -3.011 7.719 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.218 -3.589 7.905 1.00 0.00 H new ATOM 338 N MET A 26 9.380 -2.931 4.887 1.00 0.00 N ATOM 339 CA MET A 26 9.395 -3.428 3.524 1.00 0.00 C ATOM 340 C MET A 26 10.734 -3.098 2.859 1.00 0.00 C ATOM 341 O MET A 26 11.197 -1.962 2.916 1.00 0.00 O ATOM 342 CB MET A 26 8.242 -2.830 2.711 1.00 0.00 C ATOM 343 CG MET A 26 8.137 -3.372 1.291 1.00 0.00 C ATOM 344 SD MET A 26 7.700 -5.116 1.242 1.00 0.00 S ATOM 345 CE MET A 26 6.096 -5.087 2.037 1.00 0.00 C ATOM 0 H MET A 26 8.918 -2.029 5.003 1.00 0.00 H new ATOM 0 HA MET A 26 9.267 -4.510 3.553 1.00 0.00 H new ATOM 0 HB2 MET A 26 7.305 -3.024 3.233 1.00 0.00 H new ATOM 0 HB3 MET A 26 8.365 -1.748 2.667 1.00 0.00 H new ATOM 0 HG2 MET A 26 7.389 -2.799 0.743 1.00 0.00 H new ATOM 0 HG3 MET A 26 9.089 -3.226 0.780 1.00 0.00 H new ATOM 0 HE1 MET A 26 5.538 -5.982 1.762 1.00 0.00 H new ATOM 0 HE2 MET A 26 6.227 -5.059 3.119 1.00 0.00 H new ATOM 0 HE3 MET A 26 5.546 -4.203 1.715 1.00 0.00 H new ATOM 355 N ARG A 27 11.371 -4.113 2.275 1.00 0.00 N ATOM 356 CA ARG A 27 12.671 -3.913 1.661 1.00 0.00 C ATOM 357 C ARG A 27 12.565 -3.273 0.265 1.00 0.00 C ATOM 358 O ARG A 27 11.661 -3.588 -0.521 1.00 0.00 O ATOM 359 CB ARG A 27 13.442 -5.241 1.580 1.00 0.00 C ATOM 360 CG ARG A 27 14.730 -5.132 0.781 1.00 0.00 C ATOM 361 CD ARG A 27 15.698 -6.237 1.118 1.00 0.00 C ATOM 362 NE ARG A 27 16.250 -6.060 2.458 1.00 0.00 N ATOM 363 CZ ARG A 27 17.421 -6.548 2.873 1.00 0.00 C ATOM 364 NH1 ARG A 27 18.195 -7.223 2.042 1.00 0.00 N ATOM 365 NH2 ARG A 27 17.823 -6.291 4.112 1.00 0.00 N ATOM 0 H ARG A 27 11.010 -5.065 2.217 1.00 0.00 H new ATOM 0 HA ARG A 27 13.220 -3.219 2.297 1.00 0.00 H new ATOM 0 HB2 ARG A 27 13.675 -5.582 2.589 1.00 0.00 H new ATOM 0 HB3 ARG A 27 12.803 -5.999 1.127 1.00 0.00 H new ATOM 0 HG2 ARG A 27 14.500 -5.164 -0.284 1.00 0.00 H new ATOM 0 HG3 ARG A 27 15.198 -4.167 0.977 1.00 0.00 H new ATOM 0 HD2 ARG A 27 15.192 -7.200 1.054 1.00 0.00 H new ATOM 0 HD3 ARG A 27 16.506 -6.252 0.387 1.00 0.00 H new ATOM 0 HE ARG A 27 15.699 -5.523 3.128 1.00 0.00 H new ATOM 0 HH11 ARG A 27 17.899 -7.374 1.078 1.00 0.00 H new ATOM 0 HH12 ARG A 27 19.089 -7.594 2.365 1.00 0.00 H new ATOM 0 HH21 ARG A 27 17.240 -5.728 4.731 1.00 0.00 H new ATOM 0 HH22 ARG A 27 18.715 -6.656 4.445 1.00 0.00 H new ATOM 379 N VAL A 28 13.494 -2.383 -0.027 1.00 0.00 N ATOM 380 CA VAL A 28 13.491 -1.637 -1.281 1.00 0.00 C ATOM 381 C VAL A 28 14.783 -1.829 -2.048 1.00 0.00 C ATOM 382 O VAL A 28 15.793 -2.246 -1.475 1.00 0.00 O ATOM 383 CB VAL A 28 13.299 -0.122 -1.030 1.00 0.00 C ATOM 384 CG1 VAL A 28 11.979 0.148 -0.348 1.00 0.00 C ATOM 385 CG2 VAL A 28 14.461 0.425 -0.214 1.00 0.00 C ATOM 0 H VAL A 28 14.271 -2.154 0.592 1.00 0.00 H new ATOM 0 HA VAL A 28 12.659 -2.025 -1.868 1.00 0.00 H new ATOM 0 HB VAL A 28 13.283 0.391 -1.992 1.00 0.00 H new ATOM 0 HG11 VAL A 28 11.867 1.220 -0.182 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.164 -0.209 -0.978 1.00 0.00 H new ATOM 0 HG13 VAL A 28 11.951 -0.372 0.610 1.00 0.00 H new ATOM 0 HG21 VAL A 28 14.316 1.492 -0.043 1.00 0.00 H new ATOM 0 HG22 VAL A 28 14.508 -0.093 0.744 1.00 0.00 H new ATOM 0 HG23 VAL A 28 15.393 0.268 -0.757 1.00 0.00 H new ATOM 395 N ARG A 29 14.740 -1.551 -3.333 1.00 0.00 N ATOM 396 CA ARG A 29 15.935 -1.584 -4.172 1.00 0.00 C ATOM 397 C ARG A 29 16.152 -0.239 -4.845 1.00 0.00 C ATOM 398 O ARG A 29 15.226 0.345 -5.411 1.00 0.00 O ATOM 399 CB ARG A 29 15.802 -2.667 -5.243 1.00 0.00 C ATOM 400 CG ARG A 29 17.110 -2.998 -5.923 1.00 0.00 C ATOM 401 CD ARG A 29 16.990 -4.227 -6.802 1.00 0.00 C ATOM 402 NE ARG A 29 18.259 -4.565 -7.428 1.00 0.00 N ATOM 403 CZ ARG A 29 18.979 -5.649 -7.131 1.00 0.00 C ATOM 404 NH1 ARG A 29 18.544 -6.495 -6.189 1.00 0.00 N ATOM 405 NH2 ARG A 29 20.154 -5.861 -7.711 1.00 0.00 N ATOM 0 H ARG A 29 13.886 -1.297 -3.830 1.00 0.00 H new ATOM 0 HA ARG A 29 16.790 -1.808 -3.534 1.00 0.00 H new ATOM 0 HB2 ARG A 29 15.398 -3.571 -4.788 1.00 0.00 H new ATOM 0 HB3 ARG A 29 15.083 -2.340 -5.994 1.00 0.00 H new ATOM 0 HG2 ARG A 29 17.431 -2.149 -6.526 1.00 0.00 H new ATOM 0 HG3 ARG A 29 17.880 -3.163 -5.170 1.00 0.00 H new ATOM 0 HD2 ARG A 29 16.643 -5.070 -6.204 1.00 0.00 H new ATOM 0 HD3 ARG A 29 16.239 -4.052 -7.572 1.00 0.00 H new ATOM 0 HE ARG A 29 18.622 -3.932 -8.141 1.00 0.00 H new ATOM 0 HH11 ARG A 29 17.667 -6.310 -5.703 1.00 0.00 H new ATOM 0 HH12 ARG A 29 19.090 -7.325 -5.958 1.00 0.00 H new ATOM 0 HH21 ARG A 29 20.515 -5.192 -8.391 1.00 0.00 H new ATOM 0 HH22 ARG A 29 20.696 -6.693 -7.477 1.00 0.00 H new ATOM 419 N MET A 30 17.383 0.257 -4.787 1.00 0.00 N ATOM 420 CA MET A 30 17.739 1.452 -5.532 1.00 0.00 C ATOM 421 C MET A 30 17.992 1.065 -6.984 1.00 0.00 C ATOM 422 O MET A 30 19.020 0.451 -7.298 1.00 0.00 O ATOM 423 CB MET A 30 18.991 2.092 -4.936 1.00 0.00 C ATOM 424 CG MET A 30 19.297 3.479 -5.471 1.00 0.00 C ATOM 425 SD MET A 30 18.122 4.722 -4.882 1.00 0.00 S ATOM 426 CE MET A 30 18.824 6.202 -5.590 1.00 0.00 C ATOM 0 H MET A 30 18.142 -0.147 -4.237 1.00 0.00 H new ATOM 0 HA MET A 30 16.925 2.175 -5.477 1.00 0.00 H new ATOM 0 HB2 MET A 30 18.875 2.150 -3.854 1.00 0.00 H new ATOM 0 HB3 MET A 30 19.845 1.443 -5.131 1.00 0.00 H new ATOM 0 HG2 MET A 30 20.305 3.766 -5.172 1.00 0.00 H new ATOM 0 HG3 MET A 30 19.282 3.456 -6.561 1.00 0.00 H new ATOM 0 HE1 MET A 30 18.438 7.075 -5.064 1.00 0.00 H new ATOM 0 HE2 MET A 30 19.909 6.172 -5.494 1.00 0.00 H new ATOM 0 HE3 MET A 30 18.554 6.264 -6.644 1.00 0.00 H new ATOM 436 N LEU A 31 17.062 1.380 -7.870 1.00 0.00 N ATOM 437 CA LEU A 31 17.149 0.938 -9.256 1.00 0.00 C ATOM 438 C LEU A 31 17.779 1.999 -10.147 1.00 0.00 C ATOM 439 O LEU A 31 18.136 1.727 -11.293 1.00 0.00 O ATOM 440 CB LEU A 31 15.776 0.453 -9.789 1.00 0.00 C ATOM 441 CG LEU A 31 14.653 1.502 -10.046 1.00 0.00 C ATOM 442 CD1 LEU A 31 14.473 2.480 -8.901 1.00 0.00 C ATOM 443 CD2 LEU A 31 14.893 2.245 -11.349 1.00 0.00 C ATOM 0 H LEU A 31 16.237 1.940 -7.656 1.00 0.00 H new ATOM 0 HA LEU A 31 17.815 0.076 -9.283 1.00 0.00 H new ATOM 0 HB2 LEU A 31 15.954 -0.075 -10.726 1.00 0.00 H new ATOM 0 HB3 LEU A 31 15.387 -0.278 -9.080 1.00 0.00 H new ATOM 0 HG LEU A 31 13.723 0.938 -10.122 1.00 0.00 H new ATOM 0 HD11 LEU A 31 13.676 3.183 -9.145 1.00 0.00 H new ATOM 0 HD12 LEU A 31 14.211 1.935 -7.994 1.00 0.00 H new ATOM 0 HD13 LEU A 31 15.402 3.027 -8.740 1.00 0.00 H new ATOM 0 HD21 LEU A 31 14.096 2.971 -11.506 1.00 0.00 H new ATOM 0 HD22 LEU A 31 15.851 2.762 -11.302 1.00 0.00 H new ATOM 0 HD23 LEU A 31 14.905 1.535 -12.176 1.00 0.00 H new ATOM 455 N ASP A 32 17.929 3.202 -9.610 1.00 0.00 N ATOM 456 CA ASP A 32 18.604 4.267 -10.342 1.00 0.00 C ATOM 457 C ASP A 32 19.845 4.692 -9.553 1.00 0.00 C ATOM 458 O ASP A 32 19.804 4.787 -8.330 1.00 0.00 O ATOM 459 CB ASP A 32 17.687 5.456 -10.572 1.00 0.00 C ATOM 460 CG ASP A 32 18.284 6.457 -11.543 1.00 0.00 C ATOM 461 OD1 ASP A 32 18.712 6.031 -12.634 1.00 0.00 O ATOM 462 OD2 ASP A 32 18.338 7.669 -11.223 1.00 0.00 O ATOM 0 H ASP A 32 17.597 3.464 -8.682 1.00 0.00 H new ATOM 0 HA ASP A 32 18.894 3.893 -11.324 1.00 0.00 H new ATOM 0 HB2 ASP A 32 16.729 5.106 -10.956 1.00 0.00 H new ATOM 0 HB3 ASP A 32 17.488 5.949 -9.621 1.00 0.00 H new ATOM 467 N ASP A 33 20.951 4.943 -10.242 1.00 0.00 N ATOM 468 CA ASP A 33 22.217 5.202 -9.567 1.00 0.00 C ATOM 469 C ASP A 33 22.330 6.679 -9.162 1.00 0.00 C ATOM 470 O ASP A 33 21.842 7.563 -9.860 1.00 0.00 O ATOM 471 CB ASP A 33 23.391 4.797 -10.457 1.00 0.00 C ATOM 472 CG ASP A 33 24.688 4.711 -9.694 1.00 0.00 C ATOM 473 OD1 ASP A 33 24.864 3.731 -8.926 1.00 0.00 O ATOM 474 OD2 ASP A 33 25.547 5.590 -9.851 1.00 0.00 O ATOM 0 H ASP A 33 20.998 4.973 -11.260 1.00 0.00 H new ATOM 0 HA ASP A 33 22.248 4.599 -8.659 1.00 0.00 H new ATOM 0 HB2 ASP A 33 23.179 3.832 -10.917 1.00 0.00 H new ATOM 0 HB3 ASP A 33 23.496 5.520 -11.266 1.00 0.00 H new ATOM 479 N TYR A 34 22.994 6.906 -8.044 1.00 0.00 N ATOM 480 CA TYR A 34 23.092 8.243 -7.461 1.00 0.00 C ATOM 481 C TYR A 34 24.380 8.330 -6.639 1.00 0.00 C ATOM 482 O TYR A 34 24.904 7.322 -6.225 1.00 0.00 O ATOM 483 CB TYR A 34 21.866 8.491 -6.567 1.00 0.00 C ATOM 484 CG TYR A 34 21.699 9.908 -6.081 1.00 0.00 C ATOM 485 CD1 TYR A 34 21.359 10.929 -6.974 1.00 0.00 C ATOM 486 CD2 TYR A 34 21.857 10.238 -4.745 1.00 0.00 C ATOM 487 CE1 TYR A 34 21.190 12.229 -6.533 1.00 0.00 C ATOM 488 CE2 TYR A 34 21.685 11.531 -4.298 1.00 0.00 C ATOM 489 CZ TYR A 34 21.350 12.527 -5.187 1.00 0.00 C ATOM 490 OH TYR A 34 21.166 13.809 -4.741 1.00 0.00 O ATOM 0 H TYR A 34 23.478 6.181 -7.514 1.00 0.00 H new ATOM 0 HA TYR A 34 23.117 9.001 -8.244 1.00 0.00 H new ATOM 0 HB2 TYR A 34 20.971 8.206 -7.119 1.00 0.00 H new ATOM 0 HB3 TYR A 34 21.929 7.832 -5.701 1.00 0.00 H new ATOM 0 HD1 TYR A 34 21.227 10.700 -8.021 1.00 0.00 H new ATOM 0 HD2 TYR A 34 22.121 9.465 -4.038 1.00 0.00 H new ATOM 0 HE1 TYR A 34 20.934 13.010 -7.234 1.00 0.00 H new ATOM 0 HE2 TYR A 34 21.813 11.762 -3.251 1.00 0.00 H new ATOM 0 HH TYR A 34 21.316 13.843 -3.773 1.00 0.00 H new ATOM 500 N GLU A 35 24.912 9.552 -6.488 1.00 0.00 N ATOM 501 CA GLU A 35 26.127 9.781 -5.693 1.00 0.00 C ATOM 502 C GLU A 35 26.193 8.943 -4.418 1.00 0.00 C ATOM 503 O GLU A 35 26.996 8.017 -4.327 1.00 0.00 O ATOM 504 CB GLU A 35 26.239 11.257 -5.319 1.00 0.00 C ATOM 505 CG GLU A 35 26.319 12.207 -6.509 1.00 0.00 C ATOM 506 CD GLU A 35 24.967 12.445 -7.161 1.00 0.00 C ATOM 507 OE1 GLU A 35 24.597 11.652 -8.061 1.00 0.00 O ATOM 508 OE2 GLU A 35 24.270 13.405 -6.790 1.00 0.00 O ATOM 0 H GLU A 35 24.520 10.396 -6.906 1.00 0.00 H new ATOM 0 HA GLU A 35 26.960 9.473 -6.325 1.00 0.00 H new ATOM 0 HB2 GLU A 35 25.378 11.531 -4.709 1.00 0.00 H new ATOM 0 HB3 GLU A 35 27.125 11.396 -4.700 1.00 0.00 H new ATOM 0 HG2 GLU A 35 26.732 13.161 -6.180 1.00 0.00 H new ATOM 0 HG3 GLU A 35 27.008 11.799 -7.249 1.00 0.00 H new ATOM 515 N GLU A 36 25.373 9.275 -3.435 1.00 0.00 N ATOM 516 CA GLU A 36 25.424 8.641 -2.133 1.00 0.00 C ATOM 517 C GLU A 36 25.007 7.173 -2.213 1.00 0.00 C ATOM 518 O GLU A 36 25.754 6.293 -1.758 1.00 0.00 O ATOM 519 CB GLU A 36 24.514 9.400 -1.150 1.00 0.00 C ATOM 520 CG GLU A 36 25.071 10.734 -0.683 1.00 0.00 C ATOM 521 CD GLU A 36 25.280 11.705 -1.828 1.00 0.00 C ATOM 522 OE1 GLU A 36 24.318 12.017 -2.552 1.00 0.00 O ATOM 523 OE2 GLU A 36 26.425 12.178 -2.006 1.00 0.00 O ATOM 0 H GLU A 36 24.653 9.993 -3.520 1.00 0.00 H new ATOM 0 HA GLU A 36 26.453 8.675 -1.775 1.00 0.00 H new ATOM 0 HB2 GLU A 36 23.548 9.570 -1.625 1.00 0.00 H new ATOM 0 HB3 GLU A 36 24.335 8.770 -0.279 1.00 0.00 H new ATOM 0 HG2 GLU A 36 24.389 11.175 0.044 1.00 0.00 H new ATOM 0 HG3 GLU A 36 26.019 10.570 -0.172 1.00 0.00 H new ATOM 530 N ILE A 37 23.826 6.929 -2.747 1.00 0.00 N ATOM 531 CA ILE A 37 23.277 5.585 -2.848 1.00 0.00 C ATOM 532 C ILE A 37 23.365 5.103 -4.290 1.00 0.00 C ATOM 533 O ILE A 37 23.013 5.836 -5.207 1.00 0.00 O ATOM 534 CB ILE A 37 21.807 5.540 -2.378 1.00 0.00 C ATOM 535 CG1 ILE A 37 21.684 6.153 -0.968 1.00 0.00 C ATOM 536 CG2 ILE A 37 21.281 4.119 -2.387 1.00 0.00 C ATOM 537 CD1 ILE A 37 22.574 5.497 0.071 1.00 0.00 C ATOM 0 H ILE A 37 23.217 7.655 -3.124 1.00 0.00 H new ATOM 0 HA ILE A 37 23.862 4.932 -2.200 1.00 0.00 H new ATOM 0 HB ILE A 37 21.204 6.127 -3.071 1.00 0.00 H new ATOM 0 HG12 ILE A 37 21.928 7.214 -1.022 1.00 0.00 H new ATOM 0 HG13 ILE A 37 20.647 6.080 -0.641 1.00 0.00 H new ATOM 0 HG21 ILE A 37 20.244 4.113 -2.052 1.00 0.00 H new ATOM 0 HG22 ILE A 37 21.338 3.716 -3.398 1.00 0.00 H new ATOM 0 HG23 ILE A 37 21.882 3.504 -1.717 1.00 0.00 H new ATOM 0 HD11 ILE A 37 22.429 5.985 1.035 1.00 0.00 H new ATOM 0 HD12 ILE A 37 22.316 4.441 0.156 1.00 0.00 H new ATOM 0 HD13 ILE A 37 23.617 5.593 -0.231 1.00 0.00 H new ATOM 549 N SER A 38 23.771 3.862 -4.495 1.00 0.00 N ATOM 550 CA SER A 38 24.105 3.413 -5.827 1.00 0.00 C ATOM 551 C SER A 38 23.069 2.416 -6.340 1.00 0.00 C ATOM 552 O SER A 38 22.392 1.756 -5.553 1.00 0.00 O ATOM 553 CB SER A 38 25.505 2.786 -5.814 1.00 0.00 C ATOM 554 OG SER A 38 26.462 3.679 -5.274 1.00 0.00 O ATOM 0 H SER A 38 23.875 3.158 -3.764 1.00 0.00 H new ATOM 0 HA SER A 38 24.102 4.268 -6.503 1.00 0.00 H new ATOM 0 HB2 SER A 38 25.489 1.868 -5.227 1.00 0.00 H new ATOM 0 HB3 SER A 38 25.792 2.511 -6.829 1.00 0.00 H new ATOM 0 HG SER A 38 27.345 3.253 -5.276 1.00 0.00 H new ATOM 560 N ALA A 39 22.960 2.315 -7.653 1.00 0.00 N ATOM 561 CA ALA A 39 22.078 1.354 -8.279 1.00 0.00 C ATOM 562 C ALA A 39 22.473 -0.046 -7.850 1.00 0.00 C ATOM 563 O ALA A 39 23.636 -0.440 -7.979 1.00 0.00 O ATOM 564 CB ALA A 39 22.125 1.482 -9.781 1.00 0.00 C ATOM 0 H ALA A 39 23.480 2.896 -8.311 1.00 0.00 H new ATOM 0 HA ALA A 39 21.054 1.552 -7.961 1.00 0.00 H new ATOM 0 HB1 ALA A 39 21.454 0.750 -10.230 1.00 0.00 H new ATOM 0 HB2 ALA A 39 21.813 2.485 -10.071 1.00 0.00 H new ATOM 0 HB3 ALA A 39 23.142 1.304 -10.130 1.00 0.00 H new ATOM 570 N GLY A 40 21.502 -0.798 -7.348 1.00 0.00 N ATOM 571 CA GLY A 40 21.792 -2.125 -6.849 1.00 0.00 C ATOM 572 C GLY A 40 21.778 -2.179 -5.334 1.00 0.00 C ATOM 573 O GLY A 40 21.776 -3.273 -4.763 1.00 0.00 O ATOM 0 H GLY A 40 20.525 -0.514 -7.278 1.00 0.00 H new ATOM 0 HA2 GLY A 40 21.059 -2.829 -7.243 1.00 0.00 H new ATOM 0 HA3 GLY A 40 22.768 -2.444 -7.214 1.00 0.00 H new ATOM 577 N ASP A 41 21.803 -1.019 -4.672 1.00 0.00 N ATOM 578 CA ASP A 41 21.737 -0.982 -3.211 1.00 0.00 C ATOM 579 C ASP A 41 20.349 -1.372 -2.757 1.00 0.00 C ATOM 580 O ASP A 41 19.349 -1.072 -3.406 1.00 0.00 O ATOM 581 CB ASP A 41 22.102 0.419 -2.680 1.00 0.00 C ATOM 582 CG ASP A 41 22.575 0.418 -1.230 1.00 0.00 C ATOM 583 OD1 ASP A 41 22.292 -0.562 -0.489 1.00 0.00 O ATOM 584 OD2 ASP A 41 23.257 1.378 -0.826 1.00 0.00 O ATOM 0 H ASP A 41 21.868 -0.104 -5.119 1.00 0.00 H new ATOM 0 HA ASP A 41 22.460 -1.692 -2.809 1.00 0.00 H new ATOM 0 HB2 ASP A 41 22.885 0.844 -3.308 1.00 0.00 H new ATOM 0 HB3 ASP A 41 21.233 1.070 -2.769 1.00 0.00 H new ATOM 589 N GLU A 42 20.279 -2.065 -1.649 1.00 0.00 N ATOM 590 CA GLU A 42 19.030 -2.575 -1.135 1.00 0.00 C ATOM 591 C GLU A 42 18.925 -2.224 0.343 1.00 0.00 C ATOM 592 O GLU A 42 19.940 -2.141 1.026 1.00 0.00 O ATOM 593 CB GLU A 42 18.954 -4.092 -1.341 1.00 0.00 C ATOM 594 CG GLU A 42 19.126 -4.516 -2.796 1.00 0.00 C ATOM 595 CD GLU A 42 19.245 -6.015 -2.955 1.00 0.00 C ATOM 596 OE1 GLU A 42 18.196 -6.688 -3.042 1.00 0.00 O ATOM 597 OE2 GLU A 42 20.380 -6.534 -2.990 1.00 0.00 O ATOM 0 H GLU A 42 21.090 -2.293 -1.074 1.00 0.00 H new ATOM 0 HA GLU A 42 18.196 -2.122 -1.671 1.00 0.00 H new ATOM 0 HB2 GLU A 42 19.724 -4.572 -0.737 1.00 0.00 H new ATOM 0 HB3 GLU A 42 17.992 -4.453 -0.977 1.00 0.00 H new ATOM 0 HG2 GLU A 42 18.276 -4.159 -3.377 1.00 0.00 H new ATOM 0 HG3 GLU A 42 20.016 -4.039 -3.207 1.00 0.00 H new ATOM 604 N GLY A 43 17.716 -2.024 0.838 1.00 0.00 N ATOM 605 CA GLY A 43 17.573 -1.631 2.210 1.00 0.00 C ATOM 606 C GLY A 43 16.152 -1.758 2.715 1.00 0.00 C ATOM 607 O GLY A 43 15.288 -2.289 2.028 1.00 0.00 O ATOM 0 H GLY A 43 16.845 -2.126 0.318 1.00 0.00 H new ATOM 0 HA2 GLY A 43 18.229 -2.244 2.828 1.00 0.00 H new ATOM 0 HA3 GLY A 43 17.902 -0.598 2.323 1.00 0.00 H new ATOM 611 N GLU A 44 15.923 -1.248 3.911 1.00 0.00 N ATOM 612 CA GLU A 44 14.619 -1.329 4.540 1.00 0.00 C ATOM 613 C GLU A 44 13.952 0.031 4.612 1.00 0.00 C ATOM 614 O GLU A 44 14.638 1.048 4.752 1.00 0.00 O ATOM 615 CB GLU A 44 14.695 -1.892 5.967 1.00 0.00 C ATOM 616 CG GLU A 44 14.369 -3.374 6.060 1.00 0.00 C ATOM 617 CD GLU A 44 15.465 -4.247 5.528 1.00 0.00 C ATOM 618 OE1 GLU A 44 16.557 -4.300 6.129 1.00 0.00 O ATOM 619 OE2 GLU A 44 15.227 -4.953 4.528 1.00 0.00 O ATOM 0 H GLU A 44 16.630 -0.770 4.470 1.00 0.00 H new ATOM 0 HA GLU A 44 14.033 -2.004 3.915 1.00 0.00 H new ATOM 0 HB2 GLU A 44 15.698 -1.725 6.361 1.00 0.00 H new ATOM 0 HB3 GLU A 44 14.006 -1.337 6.604 1.00 0.00 H new ATOM 0 HG2 GLU A 44 14.177 -3.634 7.101 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.451 -3.574 5.507 1.00 0.00 H new ATOM 626 N PHE A 45 12.633 0.046 4.539 1.00 0.00 N ATOM 627 CA PHE A 45 11.873 1.273 4.676 1.00 0.00 C ATOM 628 C PHE A 45 11.596 1.532 6.152 1.00 0.00 C ATOM 629 O PHE A 45 10.928 0.731 6.811 1.00 0.00 O ATOM 630 CB PHE A 45 10.563 1.171 3.906 1.00 0.00 C ATOM 631 CG PHE A 45 9.628 2.319 4.131 1.00 0.00 C ATOM 632 CD1 PHE A 45 9.842 3.538 3.517 1.00 0.00 C ATOM 633 CD2 PHE A 45 8.533 2.174 4.961 1.00 0.00 C ATOM 634 CE1 PHE A 45 8.990 4.591 3.718 1.00 0.00 C ATOM 635 CE2 PHE A 45 7.668 3.231 5.169 1.00 0.00 C ATOM 636 CZ PHE A 45 7.891 4.443 4.550 1.00 0.00 C ATOM 0 H PHE A 45 12.063 -0.786 4.384 1.00 0.00 H new ATOM 0 HA PHE A 45 12.450 2.102 4.265 1.00 0.00 H new ATOM 0 HB2 PHE A 45 10.785 1.101 2.841 1.00 0.00 H new ATOM 0 HB3 PHE A 45 10.060 0.246 4.188 1.00 0.00 H new ATOM 0 HD1 PHE A 45 10.696 3.663 2.867 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.352 1.228 5.450 1.00 0.00 H new ATOM 0 HE1 PHE A 45 9.174 5.536 3.229 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.814 3.108 5.819 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.215 5.270 4.712 1.00 0.00 H new ATOM 646 N ARG A 46 12.106 2.643 6.672 1.00 0.00 N ATOM 647 CA ARG A 46 11.907 2.973 8.073 1.00 0.00 C ATOM 648 C ARG A 46 10.658 3.815 8.277 1.00 0.00 C ATOM 649 O ARG A 46 9.761 3.424 9.025 1.00 0.00 O ATOM 650 CB ARG A 46 13.139 3.690 8.617 1.00 0.00 C ATOM 651 CG ARG A 46 14.380 2.821 8.692 1.00 0.00 C ATOM 652 CD ARG A 46 15.535 3.559 9.334 1.00 0.00 C ATOM 653 NE ARG A 46 15.202 4.070 10.667 1.00 0.00 N ATOM 654 CZ ARG A 46 16.019 4.798 11.415 1.00 0.00 C ATOM 655 NH1 ARG A 46 17.280 5.011 11.036 1.00 0.00 N ATOM 656 NH2 ARG A 46 15.600 5.281 12.572 1.00 0.00 N ATOM 0 H ARG A 46 12.655 3.324 6.147 1.00 0.00 H new ATOM 0 HA ARG A 46 11.764 2.044 8.625 1.00 0.00 H new ATOM 0 HB2 ARG A 46 13.351 4.554 7.987 1.00 0.00 H new ATOM 0 HB3 ARG A 46 12.914 4.070 9.614 1.00 0.00 H new ATOM 0 HG2 ARG A 46 14.160 1.919 9.264 1.00 0.00 H new ATOM 0 HG3 ARG A 46 14.663 2.502 7.689 1.00 0.00 H new ATOM 0 HD2 ARG A 46 16.393 2.891 9.408 1.00 0.00 H new ATOM 0 HD3 ARG A 46 15.832 4.389 8.694 1.00 0.00 H new ATOM 0 HE ARG A 46 14.280 3.851 11.044 1.00 0.00 H new ATOM 0 HH11 ARG A 46 17.624 4.612 10.163 1.00 0.00 H new ATOM 0 HH12 ARG A 46 17.900 5.573 11.619 1.00 0.00 H new ATOM 0 HH21 ARG A 46 14.649 5.093 12.889 1.00 0.00 H new ATOM 0 HH22 ARG A 46 16.228 5.841 13.148 1.00 0.00 H new ATOM 670 N GLN A 47 10.586 4.940 7.588 1.00 0.00 N ATOM 671 CA GLN A 47 9.470 5.864 7.737 1.00 0.00 C ATOM 672 C GLN A 47 9.525 6.982 6.707 1.00 0.00 C ATOM 673 O GLN A 47 10.524 7.169 6.030 1.00 0.00 O ATOM 674 CB GLN A 47 9.396 6.465 9.158 1.00 0.00 C ATOM 675 CG GLN A 47 10.593 7.332 9.549 1.00 0.00 C ATOM 676 CD GLN A 47 11.748 6.535 10.118 1.00 0.00 C ATOM 677 OE1 GLN A 47 11.554 5.495 10.738 1.00 0.00 O ATOM 678 NE2 GLN A 47 12.966 7.021 9.924 1.00 0.00 N ATOM 0 H GLN A 47 11.291 5.239 6.915 1.00 0.00 H new ATOM 0 HA GLN A 47 8.567 5.278 7.569 1.00 0.00 H new ATOM 0 HB2 GLN A 47 8.489 7.065 9.237 1.00 0.00 H new ATOM 0 HB3 GLN A 47 9.304 5.651 9.877 1.00 0.00 H new ATOM 0 HG2 GLN A 47 10.937 7.882 8.673 1.00 0.00 H new ATOM 0 HG3 GLN A 47 10.273 8.071 10.284 1.00 0.00 H new ATOM 0 HE21 GLN A 47 13.092 7.889 9.403 1.00 0.00 H new ATOM 0 HE22 GLN A 47 13.777 6.527 10.295 1.00 0.00 H new ATOM 687 N SER A 48 8.434 7.736 6.611 1.00 0.00 N ATOM 688 CA SER A 48 8.357 8.868 5.691 1.00 0.00 C ATOM 689 C SER A 48 7.962 10.129 6.454 1.00 0.00 C ATOM 690 O SER A 48 7.280 10.049 7.460 1.00 0.00 O ATOM 691 CB SER A 48 7.332 8.584 4.597 1.00 0.00 C ATOM 692 OG SER A 48 7.597 7.330 3.976 1.00 0.00 O ATOM 0 H SER A 48 7.588 7.583 7.160 1.00 0.00 H new ATOM 0 HA SER A 48 9.334 9.018 5.232 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.329 8.580 5.023 1.00 0.00 H new ATOM 0 HB3 SER A 48 7.359 9.378 3.851 1.00 0.00 H new ATOM 0 HG SER A 48 7.712 7.460 3.012 1.00 0.00 H new ATOM 698 N ASN A 49 8.417 11.272 5.977 1.00 0.00 N ATOM 699 CA ASN A 49 8.135 12.527 6.641 1.00 0.00 C ATOM 700 C ASN A 49 6.784 13.080 6.179 1.00 0.00 C ATOM 701 O ASN A 49 6.669 13.570 5.054 1.00 0.00 O ATOM 702 CB ASN A 49 9.233 13.536 6.352 1.00 0.00 C ATOM 703 CG ASN A 49 10.607 13.071 6.787 1.00 0.00 C ATOM 704 OD1 ASN A 49 11.028 13.305 7.912 1.00 0.00 O ATOM 705 ND2 ASN A 49 11.338 12.430 5.868 1.00 0.00 N ATOM 0 H ASN A 49 8.983 11.356 5.133 1.00 0.00 H new ATOM 0 HA ASN A 49 8.095 12.348 7.715 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.251 13.746 5.283 1.00 0.00 H new ATOM 0 HB3 ASN A 49 8.998 14.473 6.857 1.00 0.00 H new ATOM 0 HD21 ASN A 49 12.282 12.117 6.095 1.00 0.00 H new ATOM 0 HD22 ASN A 49 10.951 12.254 4.941 1.00 0.00 H new ATOM 712 N ASN A 50 5.788 12.974 7.041 1.00 0.00 N ATOM 713 CA ASN A 50 4.433 13.463 6.758 1.00 0.00 C ATOM 714 C ASN A 50 3.941 13.039 5.366 1.00 0.00 C ATOM 715 O ASN A 50 3.616 11.867 5.146 1.00 0.00 O ATOM 716 CB ASN A 50 4.385 14.986 6.902 1.00 0.00 C ATOM 717 CG ASN A 50 4.618 15.446 8.329 1.00 0.00 C ATOM 718 OD1 ASN A 50 4.173 14.792 9.281 1.00 0.00 O ATOM 719 ND2 ASN A 50 5.337 16.553 8.497 1.00 0.00 N ATOM 0 H ASN A 50 5.888 12.547 7.962 1.00 0.00 H new ATOM 0 HA ASN A 50 3.761 13.009 7.486 1.00 0.00 H new ATOM 0 HB2 ASN A 50 5.138 15.432 6.253 1.00 0.00 H new ATOM 0 HB3 ASN A 50 3.415 15.349 6.561 1.00 0.00 H new ATOM 0 HD21 ASN A 50 5.540 16.892 9.438 1.00 0.00 H new ATOM 0 HD22 ASN A 50 5.685 17.063 7.685 1.00 0.00 H new ATOM 726 N GLY A 51 3.891 13.990 4.438 1.00 0.00 N ATOM 727 CA GLY A 51 3.487 13.683 3.090 1.00 0.00 C ATOM 728 C GLY A 51 4.271 14.469 2.063 1.00 0.00 C ATOM 729 O GLY A 51 3.707 15.035 1.113 1.00 0.00 O ATOM 0 H GLY A 51 4.125 14.969 4.603 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.620 12.617 2.907 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.424 13.896 2.974 1.00 0.00 H new ATOM 733 N VAL A 52 5.584 14.542 2.266 1.00 0.00 N ATOM 734 CA VAL A 52 6.461 15.281 1.380 1.00 0.00 C ATOM 735 C VAL A 52 7.466 14.341 0.691 1.00 0.00 C ATOM 736 O VAL A 52 7.505 13.163 0.986 1.00 0.00 O ATOM 737 CB VAL A 52 7.211 16.400 2.160 1.00 0.00 C ATOM 738 CG1 VAL A 52 6.236 17.491 2.573 1.00 0.00 C ATOM 739 CG2 VAL A 52 7.932 15.837 3.361 1.00 0.00 C ATOM 0 H VAL A 52 6.062 14.091 3.046 1.00 0.00 H new ATOM 0 HA VAL A 52 5.847 15.747 0.609 1.00 0.00 H new ATOM 0 HB VAL A 52 7.962 16.835 1.501 1.00 0.00 H new ATOM 0 HG11 VAL A 52 6.770 18.269 3.118 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.774 17.922 1.685 1.00 0.00 H new ATOM 0 HG13 VAL A 52 5.463 17.065 3.213 1.00 0.00 H new ATOM 0 HG21 VAL A 52 8.447 16.641 3.886 1.00 0.00 H new ATOM 0 HG22 VAL A 52 7.211 15.369 4.031 1.00 0.00 H new ATOM 0 HG23 VAL A 52 8.659 15.094 3.034 1.00 0.00 H new ATOM 749 N PRO A 53 8.288 14.867 -0.251 1.00 0.00 N ATOM 750 CA PRO A 53 9.309 14.071 -0.966 1.00 0.00 C ATOM 751 C PRO A 53 10.267 13.279 -0.058 1.00 0.00 C ATOM 752 O PRO A 53 10.472 12.097 -0.298 1.00 0.00 O ATOM 753 CB PRO A 53 10.076 15.086 -1.796 1.00 0.00 C ATOM 754 CG PRO A 53 9.168 16.260 -1.940 1.00 0.00 C ATOM 755 CD PRO A 53 8.252 16.251 -0.737 1.00 0.00 C ATOM 0 HA PRO A 53 8.820 13.296 -1.556 1.00 0.00 H new ATOM 0 HB2 PRO A 53 11.007 15.369 -1.305 1.00 0.00 H new ATOM 0 HB3 PRO A 53 10.341 14.675 -2.770 1.00 0.00 H new ATOM 0 HG2 PRO A 53 9.739 17.188 -1.985 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.594 16.194 -2.864 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.596 16.948 0.027 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.239 16.549 -1.008 1.00 0.00 H new ATOM 763 N PRO A 54 10.892 13.913 0.964 1.00 0.00 N ATOM 764 CA PRO A 54 11.851 13.217 1.817 1.00 0.00 C ATOM 765 C PRO A 54 11.290 11.949 2.464 1.00 0.00 C ATOM 766 O PRO A 54 10.331 11.982 3.241 1.00 0.00 O ATOM 767 CB PRO A 54 12.244 14.235 2.898 1.00 0.00 C ATOM 768 CG PRO A 54 11.249 15.332 2.774 1.00 0.00 C ATOM 769 CD PRO A 54 10.761 15.325 1.353 1.00 0.00 C ATOM 0 HA PRO A 54 12.696 12.875 1.220 1.00 0.00 H new ATOM 0 HB2 PRO A 54 12.215 13.787 3.891 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.258 14.603 2.743 1.00 0.00 H new ATOM 0 HG2 PRO A 54 10.421 15.181 3.467 1.00 0.00 H new ATOM 0 HG3 PRO A 54 11.701 16.292 3.022 1.00 0.00 H new ATOM 0 HD2 PRO A 54 9.730 15.670 1.279 1.00 0.00 H new ATOM 0 HD3 PRO A 54 11.361 15.976 0.717 1.00 0.00 H new ATOM 777 N VAL A 55 11.930 10.840 2.156 1.00 0.00 N ATOM 778 CA VAL A 55 11.554 9.540 2.664 1.00 0.00 C ATOM 779 C VAL A 55 12.775 8.886 3.289 1.00 0.00 C ATOM 780 O VAL A 55 13.859 8.898 2.707 1.00 0.00 O ATOM 781 CB VAL A 55 10.957 8.623 1.574 1.00 0.00 C ATOM 782 CG1 VAL A 55 11.948 8.358 0.436 1.00 0.00 C ATOM 783 CG2 VAL A 55 10.490 7.313 2.172 1.00 0.00 C ATOM 0 H VAL A 55 12.739 10.818 1.535 1.00 0.00 H new ATOM 0 HA VAL A 55 10.772 9.684 3.410 1.00 0.00 H new ATOM 0 HB VAL A 55 10.101 9.148 1.151 1.00 0.00 H new ATOM 0 HG11 VAL A 55 11.484 7.709 -0.307 1.00 0.00 H new ATOM 0 HG12 VAL A 55 12.227 9.303 -0.031 1.00 0.00 H new ATOM 0 HG13 VAL A 55 12.839 7.874 0.835 1.00 0.00 H new ATOM 0 HG21 VAL A 55 10.073 6.683 1.387 1.00 0.00 H new ATOM 0 HG22 VAL A 55 11.334 6.804 2.636 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.726 7.508 2.924 1.00 0.00 H new ATOM 793 N GLN A 56 12.621 8.327 4.481 1.00 0.00 N ATOM 794 CA GLN A 56 13.776 7.863 5.221 1.00 0.00 C ATOM 795 C GLN A 56 13.932 6.354 5.063 1.00 0.00 C ATOM 796 O GLN A 56 13.136 5.561 5.591 1.00 0.00 O ATOM 797 CB GLN A 56 13.645 8.248 6.705 1.00 0.00 C ATOM 798 CG GLN A 56 14.945 8.115 7.471 1.00 0.00 C ATOM 799 CD GLN A 56 15.976 9.155 7.081 1.00 0.00 C ATOM 800 OE1 GLN A 56 15.979 9.654 5.963 1.00 0.00 O ATOM 801 NE2 GLN A 56 16.861 9.477 7.993 1.00 0.00 N ATOM 0 H GLN A 56 11.724 8.187 4.946 1.00 0.00 H new ATOM 0 HA GLN A 56 14.669 8.342 4.821 1.00 0.00 H new ATOM 0 HB2 GLN A 56 13.291 9.276 6.777 1.00 0.00 H new ATOM 0 HB3 GLN A 56 12.889 7.617 7.172 1.00 0.00 H new ATOM 0 HG2 GLN A 56 14.740 8.198 8.538 1.00 0.00 H new ATOM 0 HG3 GLN A 56 15.359 7.121 7.302 1.00 0.00 H new ATOM 0 HE21 GLN A 56 16.827 9.040 8.914 1.00 0.00 H new ATOM 0 HE22 GLN A 56 17.584 10.165 7.782 1.00 0.00 H new ATOM 810 N VAL A 57 14.954 5.975 4.318 1.00 0.00 N ATOM 811 CA VAL A 57 15.223 4.578 4.017 1.00 0.00 C ATOM 812 C VAL A 57 16.620 4.206 4.473 1.00 0.00 C ATOM 813 O VAL A 57 17.550 4.990 4.315 1.00 0.00 O ATOM 814 CB VAL A 57 15.088 4.298 2.503 1.00 0.00 C ATOM 815 CG1 VAL A 57 15.368 2.826 2.168 1.00 0.00 C ATOM 816 CG2 VAL A 57 13.692 4.698 2.007 1.00 0.00 C ATOM 0 H VAL A 57 15.622 6.625 3.904 1.00 0.00 H new ATOM 0 HA VAL A 57 14.489 3.974 4.550 1.00 0.00 H new ATOM 0 HB VAL A 57 15.836 4.902 1.991 1.00 0.00 H new ATOM 0 HG11 VAL A 57 15.263 2.671 1.094 1.00 0.00 H new ATOM 0 HG12 VAL A 57 16.382 2.570 2.474 1.00 0.00 H new ATOM 0 HG13 VAL A 57 14.658 2.191 2.698 1.00 0.00 H new ATOM 0 HG21 VAL A 57 13.613 4.495 0.939 1.00 0.00 H new ATOM 0 HG22 VAL A 57 12.937 4.123 2.543 1.00 0.00 H new ATOM 0 HG23 VAL A 57 13.533 5.761 2.186 1.00 0.00 H new ATOM 826 N PHE A 58 16.768 3.033 5.062 1.00 0.00 N ATOM 827 CA PHE A 58 18.075 2.557 5.494 1.00 0.00 C ATOM 828 C PHE A 58 18.647 1.613 4.439 1.00 0.00 C ATOM 829 O PHE A 58 18.060 0.597 4.110 1.00 0.00 O ATOM 830 CB PHE A 58 17.975 1.839 6.854 1.00 0.00 C ATOM 831 CG PHE A 58 19.318 1.558 7.481 1.00 0.00 C ATOM 832 CD1 PHE A 58 19.985 0.371 7.210 1.00 0.00 C ATOM 833 CD2 PHE A 58 19.904 2.469 8.331 1.00 0.00 C ATOM 834 CE1 PHE A 58 21.217 0.105 7.789 1.00 0.00 C ATOM 835 CE2 PHE A 58 21.127 2.210 8.900 1.00 0.00 C ATOM 836 CZ PHE A 58 21.790 1.027 8.640 1.00 0.00 C ATOM 0 H PHE A 58 16.000 2.390 5.253 1.00 0.00 H new ATOM 0 HA PHE A 58 18.739 3.413 5.613 1.00 0.00 H new ATOM 0 HB2 PHE A 58 17.384 2.449 7.537 1.00 0.00 H new ATOM 0 HB3 PHE A 58 17.440 0.899 6.722 1.00 0.00 H new ATOM 0 HD1 PHE A 58 19.540 -0.352 6.542 1.00 0.00 H new ATOM 0 HD2 PHE A 58 19.397 3.396 8.553 1.00 0.00 H new ATOM 0 HE1 PHE A 58 21.727 -0.822 7.574 1.00 0.00 H new ATOM 0 HE2 PHE A 58 21.575 2.940 9.558 1.00 0.00 H new ATOM 0 HZ PHE A 58 22.747 0.826 9.098 1.00 0.00 H new ATOM 846 N TRP A 59 19.809 1.986 3.920 1.00 0.00 N ATOM 847 CA TRP A 59 20.429 1.221 2.842 1.00 0.00 C ATOM 848 C TRP A 59 21.545 0.325 3.395 1.00 0.00 C ATOM 849 O TRP A 59 22.443 0.801 4.085 1.00 0.00 O ATOM 850 CB TRP A 59 20.977 2.179 1.793 1.00 0.00 C ATOM 851 CG TRP A 59 19.910 3.014 1.144 1.00 0.00 C ATOM 852 CD1 TRP A 59 19.604 4.299 1.454 1.00 0.00 C ATOM 853 CD2 TRP A 59 19.020 2.608 0.097 1.00 0.00 C ATOM 854 NE1 TRP A 59 18.556 4.726 0.646 1.00 0.00 N ATOM 855 CE2 TRP A 59 18.194 3.702 -0.184 1.00 0.00 C ATOM 856 CE3 TRP A 59 18.858 1.428 -0.630 1.00 0.00 C ATOM 857 CZ2 TRP A 59 17.209 3.655 -1.159 1.00 0.00 C ATOM 858 CZ3 TRP A 59 17.877 1.386 -1.606 1.00 0.00 C ATOM 859 CH2 TRP A 59 17.056 2.491 -1.862 1.00 0.00 C ATOM 0 H TRP A 59 20.338 2.804 4.222 1.00 0.00 H new ATOM 0 HA TRP A 59 19.680 0.578 2.379 1.00 0.00 H new ATOM 0 HB2 TRP A 59 21.712 2.836 2.258 1.00 0.00 H new ATOM 0 HB3 TRP A 59 21.500 1.608 1.026 1.00 0.00 H new ATOM 0 HD1 TRP A 59 20.096 4.895 2.208 1.00 0.00 H new ATOM 0 HE1 TRP A 59 18.128 5.651 0.669 1.00 0.00 H new ATOM 0 HE3 TRP A 59 19.483 0.569 -0.436 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 16.582 4.511 -1.358 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 17.742 0.482 -2.182 1.00 0.00 H new ATOM 0 HH2 TRP A 59 16.293 2.424 -2.623 1.00 0.00 H new ATOM 870 N GLU A 60 21.479 -0.956 3.061 1.00 0.00 N ATOM 871 CA GLU A 60 22.342 -1.969 3.656 1.00 0.00 C ATOM 872 C GLU A 60 23.795 -1.825 3.193 1.00 0.00 C ATOM 873 O GLU A 60 24.710 -1.963 3.996 1.00 0.00 O ATOM 874 CB GLU A 60 21.814 -3.373 3.364 1.00 0.00 C ATOM 875 CG GLU A 60 20.451 -3.664 3.978 1.00 0.00 C ATOM 876 CD GLU A 60 20.502 -3.698 5.501 1.00 0.00 C ATOM 877 OE1 GLU A 60 20.474 -2.619 6.128 1.00 0.00 O ATOM 878 OE2 GLU A 60 20.574 -4.799 6.080 1.00 0.00 O ATOM 0 H GLU A 60 20.825 -1.323 2.369 1.00 0.00 H new ATOM 0 HA GLU A 60 22.329 -1.814 4.735 1.00 0.00 H new ATOM 0 HB2 GLU A 60 21.751 -3.509 2.284 1.00 0.00 H new ATOM 0 HB3 GLU A 60 22.532 -4.104 3.736 1.00 0.00 H new ATOM 0 HG2 GLU A 60 19.740 -2.903 3.657 1.00 0.00 H new ATOM 0 HG3 GLU A 60 20.084 -4.621 3.607 1.00 0.00 H new ATOM 885 N SER A 61 24.003 -1.522 1.906 1.00 0.00 N ATOM 886 CA SER A 61 25.339 -1.456 1.359 1.00 0.00 C ATOM 887 C SER A 61 26.120 -0.291 1.950 1.00 0.00 C ATOM 888 O SER A 61 27.303 -0.397 2.254 1.00 0.00 O ATOM 889 CB SER A 61 25.282 -1.350 -0.161 1.00 0.00 C ATOM 890 OG SER A 61 24.316 -2.252 -0.679 1.00 0.00 O ATOM 0 H SER A 61 23.260 -1.322 1.237 1.00 0.00 H new ATOM 0 HA SER A 61 25.861 -2.375 1.627 1.00 0.00 H new ATOM 0 HB2 SER A 61 25.031 -0.330 -0.453 1.00 0.00 H new ATOM 0 HB3 SER A 61 26.261 -1.571 -0.585 1.00 0.00 H new ATOM 0 HG SER A 61 23.428 -1.838 -0.641 1.00 0.00 H new ATOM 896 N THR A 62 25.442 0.826 2.129 1.00 0.00 N ATOM 897 CA THR A 62 26.052 2.005 2.742 1.00 0.00 C ATOM 898 C THR A 62 26.010 1.901 4.267 1.00 0.00 C ATOM 899 O THR A 62 26.903 2.403 4.952 1.00 0.00 O ATOM 900 CB THR A 62 25.326 3.279 2.286 1.00 0.00 C ATOM 901 OG1 THR A 62 25.091 3.221 0.864 1.00 0.00 O ATOM 902 CG2 THR A 62 26.149 4.522 2.606 1.00 0.00 C ATOM 0 H THR A 62 24.466 0.949 1.860 1.00 0.00 H new ATOM 0 HA THR A 62 27.093 2.056 2.423 1.00 0.00 H new ATOM 0 HB THR A 62 24.378 3.340 2.820 1.00 0.00 H new ATOM 0 HG1 THR A 62 24.365 2.589 0.678 1.00 0.00 H new ATOM 0 HG21 THR A 62 25.612 5.410 2.273 1.00 0.00 H new ATOM 0 HG22 THR A 62 26.315 4.581 3.682 1.00 0.00 H new ATOM 0 HG23 THR A 62 27.109 4.465 2.093 1.00 0.00 H new ATOM 910 N GLY A 63 24.976 1.239 4.756 1.00 0.00 N ATOM 911 CA GLY A 63 24.804 1.045 6.179 1.00 0.00 C ATOM 912 C GLY A 63 24.401 2.330 6.893 1.00 0.00 C ATOM 913 O GLY A 63 24.655 2.507 8.084 1.00 0.00 O ATOM 0 H GLY A 63 24.241 0.826 4.182 1.00 0.00 H new ATOM 0 HA2 GLY A 63 24.044 0.283 6.350 1.00 0.00 H new ATOM 0 HA3 GLY A 63 25.733 0.670 6.607 1.00 0.00 H new ATOM 917 N ARG A 64 23.803 3.231 6.130 1.00 0.00 N ATOM 918 CA ARG A 64 23.367 4.524 6.640 1.00 0.00 C ATOM 919 C ARG A 64 21.945 4.793 6.209 1.00 0.00 C ATOM 920 O ARG A 64 21.511 4.321 5.148 1.00 0.00 O ATOM 921 CB ARG A 64 24.258 5.671 6.132 1.00 0.00 C ATOM 922 CG ARG A 64 25.526 5.908 6.952 1.00 0.00 C ATOM 923 CD ARG A 64 26.537 4.790 6.775 1.00 0.00 C ATOM 924 NE ARG A 64 27.791 5.046 7.493 1.00 0.00 N ATOM 925 CZ ARG A 64 28.949 4.479 7.198 1.00 0.00 C ATOM 926 NH1 ARG A 64 29.035 3.589 6.222 1.00 0.00 N ATOM 927 NH2 ARG A 64 30.045 4.794 7.905 1.00 0.00 N ATOM 0 H ARG A 64 23.606 3.088 5.140 1.00 0.00 H new ATOM 0 HA ARG A 64 23.438 4.484 7.727 1.00 0.00 H new ATOM 0 HB2 ARG A 64 24.543 5.462 5.101 1.00 0.00 H new ATOM 0 HB3 ARG A 64 23.672 6.590 6.121 1.00 0.00 H new ATOM 0 HG2 ARG A 64 25.977 6.855 6.655 1.00 0.00 H new ATOM 0 HG3 ARG A 64 25.264 5.996 8.006 1.00 0.00 H new ATOM 0 HD2 ARG A 64 26.104 3.854 7.129 1.00 0.00 H new ATOM 0 HD3 ARG A 64 26.750 4.662 5.714 1.00 0.00 H new ATOM 0 HE ARG A 64 27.768 5.705 8.271 1.00 0.00 H new ATOM 0 HH11 ARG A 64 28.203 3.334 5.689 1.00 0.00 H new ATOM 0 HH12 ARG A 64 29.933 3.158 6.003 1.00 0.00 H new ATOM 0 HH21 ARG A 64 29.984 5.469 8.667 1.00 0.00 H new ATOM 0 HH22 ARG A 64 30.940 4.359 7.680 1.00 0.00 H new ATOM 941 N THR A 65 21.198 5.524 7.019 1.00 0.00 N ATOM 942 CA THR A 65 19.878 5.933 6.635 1.00 0.00 C ATOM 943 C THR A 65 19.967 7.160 5.745 1.00 0.00 C ATOM 944 O THR A 65 20.810 8.052 5.981 1.00 0.00 O ATOM 945 CB THR A 65 19.019 6.255 7.889 1.00 0.00 C ATOM 946 OG1 THR A 65 19.418 5.443 8.994 1.00 0.00 O ATOM 947 CG2 THR A 65 17.544 6.004 7.596 1.00 0.00 C ATOM 0 H THR A 65 21.492 5.841 7.943 1.00 0.00 H new ATOM 0 HA THR A 65 19.402 5.118 6.090 1.00 0.00 H new ATOM 0 HB THR A 65 19.170 7.305 8.141 1.00 0.00 H new ATOM 0 HG1 THR A 65 19.411 5.980 9.814 1.00 0.00 H new ATOM 0 HG21 THR A 65 16.953 6.233 8.483 1.00 0.00 H new ATOM 0 HG22 THR A 65 17.223 6.641 6.771 1.00 0.00 H new ATOM 0 HG23 THR A 65 17.400 4.958 7.324 1.00 0.00 H new ATOM 955 N TYR A 66 19.091 7.251 4.762 1.00 0.00 N ATOM 956 CA TYR A 66 19.157 8.307 3.789 1.00 0.00 C ATOM 957 C TYR A 66 17.756 8.687 3.317 1.00 0.00 C ATOM 958 O TYR A 66 16.872 7.836 3.269 1.00 0.00 O ATOM 959 CB TYR A 66 20.021 7.873 2.594 1.00 0.00 C ATOM 960 CG TYR A 66 20.162 8.922 1.528 1.00 0.00 C ATOM 961 CD1 TYR A 66 20.874 10.098 1.749 1.00 0.00 C ATOM 962 CD2 TYR A 66 19.579 8.753 0.278 1.00 0.00 C ATOM 963 CE1 TYR A 66 20.993 11.054 0.780 1.00 0.00 C ATOM 964 CE2 TYR A 66 19.705 9.706 -0.697 1.00 0.00 C ATOM 965 CZ TYR A 66 20.407 10.863 -0.450 1.00 0.00 C ATOM 966 OH TYR A 66 20.521 11.824 -1.417 1.00 0.00 O ATOM 0 H TYR A 66 18.321 6.596 4.622 1.00 0.00 H new ATOM 0 HA TYR A 66 19.614 9.180 4.255 1.00 0.00 H new ATOM 0 HB2 TYR A 66 21.013 7.602 2.956 1.00 0.00 H new ATOM 0 HB3 TYR A 66 19.587 6.976 2.152 1.00 0.00 H new ATOM 0 HD1 TYR A 66 21.343 10.258 2.709 1.00 0.00 H new ATOM 0 HD2 TYR A 66 19.017 7.854 0.072 1.00 0.00 H new ATOM 0 HE1 TYR A 66 21.547 11.959 0.980 1.00 0.00 H new ATOM 0 HE2 TYR A 66 19.251 9.549 -1.664 1.00 0.00 H new ATOM 0 HH TYR A 66 20.517 11.401 -2.301 1.00 0.00 H new ATOM 976 N TRP A 67 17.585 9.970 2.998 1.00 0.00 N ATOM 977 CA TRP A 67 16.312 10.446 2.485 1.00 0.00 C ATOM 978 C TRP A 67 16.356 10.499 0.963 1.00 0.00 C ATOM 979 O TRP A 67 17.119 11.283 0.377 1.00 0.00 O ATOM 980 CB TRP A 67 15.977 11.824 3.051 1.00 0.00 C ATOM 981 CG TRP A 67 17.139 12.529 3.684 1.00 0.00 C ATOM 982 CD1 TRP A 67 17.478 12.496 5.014 1.00 0.00 C ATOM 983 CD2 TRP A 67 18.098 13.368 3.035 1.00 0.00 C ATOM 984 NE1 TRP A 67 18.610 13.267 5.207 1.00 0.00 N ATOM 985 CE2 TRP A 67 19.000 13.804 4.015 1.00 0.00 C ATOM 986 CE3 TRP A 67 18.289 13.782 1.721 1.00 0.00 C ATOM 987 CZ2 TRP A 67 20.081 14.647 3.726 1.00 0.00 C ATOM 988 CZ3 TRP A 67 19.350 14.620 1.432 1.00 0.00 C ATOM 989 CH2 TRP A 67 20.227 15.046 2.428 1.00 0.00 C ATOM 0 H TRP A 67 18.306 10.686 3.086 1.00 0.00 H new ATOM 0 HA TRP A 67 15.532 9.752 2.798 1.00 0.00 H new ATOM 0 HB2 TRP A 67 15.582 12.447 2.249 1.00 0.00 H new ATOM 0 HB3 TRP A 67 15.184 11.717 3.792 1.00 0.00 H new ATOM 0 HD1 TRP A 67 16.947 11.956 5.784 1.00 0.00 H new ATOM 0 HE1 TRP A 67 19.080 13.412 6.101 1.00 0.00 H new ATOM 0 HE3 TRP A 67 17.620 13.454 0.939 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 20.768 14.967 4.495 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 19.502 14.951 0.415 1.00 0.00 H new ATOM 0 HH2 TRP A 67 21.041 15.707 2.167 1.00 0.00 H new ATOM 1000 N VAL A 68 15.540 9.674 0.330 1.00 0.00 N ATOM 1001 CA VAL A 68 15.563 9.526 -1.104 1.00 0.00 C ATOM 1002 C VAL A 68 14.349 10.238 -1.697 1.00 0.00 C ATOM 1003 O VAL A 68 13.473 10.685 -0.954 1.00 0.00 O ATOM 1004 CB VAL A 68 15.518 8.024 -1.488 1.00 0.00 C ATOM 1005 CG1 VAL A 68 15.974 7.806 -2.923 1.00 0.00 C ATOM 1006 CG2 VAL A 68 16.374 7.199 -0.539 1.00 0.00 C ATOM 0 H VAL A 68 14.847 9.092 0.800 1.00 0.00 H new ATOM 0 HA VAL A 68 16.481 9.963 -1.496 1.00 0.00 H new ATOM 0 HB VAL A 68 14.482 7.695 -1.405 1.00 0.00 H new ATOM 0 HG11 VAL A 68 15.931 6.743 -3.161 1.00 0.00 H new ATOM 0 HG12 VAL A 68 15.321 8.356 -3.600 1.00 0.00 H new ATOM 0 HG13 VAL A 68 16.998 8.162 -3.038 1.00 0.00 H new ATOM 0 HG21 VAL A 68 16.328 6.149 -0.827 1.00 0.00 H new ATOM 0 HG22 VAL A 68 17.407 7.544 -0.588 1.00 0.00 H new ATOM 0 HG23 VAL A 68 16.002 7.313 0.479 1.00 0.00 H new ATOM 1016 N HIS A 69 14.322 10.396 -3.018 1.00 0.00 N ATOM 1017 CA HIS A 69 13.095 10.830 -3.690 1.00 0.00 C ATOM 1018 C HIS A 69 12.284 9.585 -4.027 1.00 0.00 C ATOM 1019 O HIS A 69 12.847 8.591 -4.461 1.00 0.00 O ATOM 1020 CB HIS A 69 13.410 11.637 -4.964 1.00 0.00 C ATOM 1021 CG HIS A 69 13.945 13.015 -4.676 1.00 0.00 C ATOM 1022 ND1 HIS A 69 13.202 14.166 -4.830 1.00 0.00 N ATOM 1023 CD2 HIS A 69 15.171 13.425 -4.242 1.00 0.00 C ATOM 1024 CE1 HIS A 69 13.945 15.213 -4.523 1.00 0.00 C ATOM 1025 NE2 HIS A 69 15.136 14.785 -4.157 1.00 0.00 N ATOM 0 H HIS A 69 15.117 10.234 -3.636 1.00 0.00 H new ATOM 0 HA HIS A 69 12.526 11.488 -3.033 1.00 0.00 H new ATOM 0 HB2 HIS A 69 14.138 11.089 -5.563 1.00 0.00 H new ATOM 0 HB3 HIS A 69 12.504 11.724 -5.564 1.00 0.00 H new ATOM 0 HD2 HIS A 69 16.013 12.790 -4.009 1.00 0.00 H new ATOM 0 HE1 HIS A 69 13.630 16.245 -4.565 1.00 0.00 H new ATOM 0 HE2 HIS A 69 15.910 15.378 -3.857 1.00 0.00 H new ATOM 1034 N TRP A 70 10.978 9.635 -3.803 1.00 0.00 N ATOM 1035 CA TRP A 70 10.108 8.458 -3.931 1.00 0.00 C ATOM 1036 C TRP A 70 10.366 7.620 -5.186 1.00 0.00 C ATOM 1037 O TRP A 70 10.531 6.403 -5.115 1.00 0.00 O ATOM 1038 CB TRP A 70 8.650 8.897 -3.875 1.00 0.00 C ATOM 1039 CG TRP A 70 8.216 9.395 -2.534 1.00 0.00 C ATOM 1040 CD1 TRP A 70 8.151 10.681 -2.099 1.00 0.00 C ATOM 1041 CD2 TRP A 70 7.782 8.590 -1.417 1.00 0.00 C ATOM 1042 NE1 TRP A 70 7.703 10.740 -0.810 1.00 0.00 N ATOM 1043 CE2 TRP A 70 7.477 9.472 -0.359 1.00 0.00 C ATOM 1044 CE3 TRP A 70 7.635 7.221 -1.221 1.00 0.00 C ATOM 1045 CZ2 TRP A 70 7.032 9.016 0.879 1.00 0.00 C ATOM 1046 CZ3 TRP A 70 7.191 6.770 0.014 1.00 0.00 C ATOM 1047 CH2 TRP A 70 6.895 7.667 1.047 1.00 0.00 C ATOM 0 H TRP A 70 10.487 10.486 -3.528 1.00 0.00 H new ATOM 0 HA TRP A 70 10.345 7.804 -3.092 1.00 0.00 H new ATOM 0 HB2 TRP A 70 8.489 9.683 -4.613 1.00 0.00 H new ATOM 0 HB3 TRP A 70 8.017 8.057 -4.162 1.00 0.00 H new ATOM 0 HD1 TRP A 70 8.418 11.542 -2.694 1.00 0.00 H new ATOM 0 HE1 TRP A 70 7.560 11.594 -0.271 1.00 0.00 H new ATOM 0 HE3 TRP A 70 7.862 6.523 -2.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 6.803 9.705 1.679 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 7.072 5.710 0.181 1.00 0.00 H new ATOM 0 HH2 TRP A 70 6.551 7.285 1.997 1.00 0.00 H new ATOM 1058 N HIS A 71 10.422 8.283 -6.339 1.00 0.00 N ATOM 1059 CA HIS A 71 10.545 7.570 -7.616 1.00 0.00 C ATOM 1060 C HIS A 71 11.951 7.004 -7.814 1.00 0.00 C ATOM 1061 O HIS A 71 12.241 6.413 -8.856 1.00 0.00 O ATOM 1062 CB HIS A 71 10.178 8.481 -8.795 1.00 0.00 C ATOM 1063 CG HIS A 71 11.290 9.420 -9.210 1.00 0.00 C ATOM 1064 ND1 HIS A 71 12.046 9.225 -10.340 1.00 0.00 N ATOM 1065 CD2 HIS A 71 11.766 10.550 -8.632 1.00 0.00 C ATOM 1066 CE1 HIS A 71 12.945 10.190 -10.442 1.00 0.00 C ATOM 1067 NE2 HIS A 71 12.793 11.005 -9.414 1.00 0.00 N ATOM 0 H HIS A 71 10.385 9.299 -6.420 1.00 0.00 H new ATOM 0 HA HIS A 71 9.843 6.736 -7.583 1.00 0.00 H new ATOM 0 HB2 HIS A 71 9.901 7.862 -9.648 1.00 0.00 H new ATOM 0 HB3 HIS A 71 9.299 9.068 -8.528 1.00 0.00 H new ATOM 0 HD2 HIS A 71 11.402 11.006 -7.723 1.00 0.00 H new ATOM 0 HE1 HIS A 71 13.677 10.293 -11.230 1.00 0.00 H new ATOM 0 HE2 HIS A 71 13.351 11.839 -9.232 1.00 0.00 H new ATOM 1076 N MET A 72 12.832 7.169 -6.831 1.00 0.00 N ATOM 1077 CA MET A 72 14.202 6.682 -6.938 1.00 0.00 C ATOM 1078 C MET A 72 14.327 5.284 -6.365 1.00 0.00 C ATOM 1079 O MET A 72 15.290 4.575 -6.651 1.00 0.00 O ATOM 1080 CB MET A 72 15.175 7.618 -6.230 1.00 0.00 C ATOM 1081 CG MET A 72 15.165 9.045 -6.765 1.00 0.00 C ATOM 1082 SD MET A 72 15.744 9.168 -8.472 1.00 0.00 S ATOM 1083 CE MET A 72 17.417 8.556 -8.282 1.00 0.00 C ATOM 0 H MET A 72 12.620 7.637 -5.950 1.00 0.00 H new ATOM 0 HA MET A 72 14.455 6.652 -7.998 1.00 0.00 H new ATOM 0 HB2 MET A 72 14.935 7.638 -5.167 1.00 0.00 H new ATOM 0 HB3 MET A 72 16.183 7.214 -6.322 1.00 0.00 H new ATOM 0 HG2 MET A 72 14.152 9.443 -6.702 1.00 0.00 H new ATOM 0 HG3 MET A 72 15.793 9.669 -6.129 1.00 0.00 H new ATOM 0 HE1 MET A 72 18.031 8.914 -9.108 1.00 0.00 H new ATOM 0 HE2 MET A 72 17.831 8.915 -7.340 1.00 0.00 H new ATOM 0 HE3 MET A 72 17.408 7.466 -8.282 1.00 0.00 H new ATOM 1093 N LEU A 73 13.363 4.875 -5.546 1.00 0.00 N ATOM 1094 CA LEU A 73 13.423 3.584 -4.886 1.00 0.00 C ATOM 1095 C LEU A 73 12.296 2.677 -5.363 1.00 0.00 C ATOM 1096 O LEU A 73 11.149 3.088 -5.480 1.00 0.00 O ATOM 1097 CB LEU A 73 13.398 3.780 -3.359 1.00 0.00 C ATOM 1098 CG LEU A 73 12.246 4.629 -2.819 1.00 0.00 C ATOM 1099 CD1 LEU A 73 11.019 3.773 -2.509 1.00 0.00 C ATOM 1100 CD2 LEU A 73 12.695 5.388 -1.582 1.00 0.00 C ATOM 0 H LEU A 73 12.531 5.423 -5.326 1.00 0.00 H new ATOM 0 HA LEU A 73 14.358 3.090 -5.148 1.00 0.00 H new ATOM 0 HB2 LEU A 73 13.355 2.799 -2.886 1.00 0.00 H new ATOM 0 HB3 LEU A 73 14.338 4.240 -3.055 1.00 0.00 H new ATOM 0 HG LEU A 73 11.961 5.344 -3.590 1.00 0.00 H new ATOM 0 HD11 LEU A 73 10.219 4.408 -2.127 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.684 3.275 -3.419 1.00 0.00 H new ATOM 0 HD13 LEU A 73 11.277 3.025 -1.760 1.00 0.00 H new ATOM 0 HD21 LEU A 73 11.868 5.990 -1.204 1.00 0.00 H new ATOM 0 HD22 LEU A 73 13.009 4.680 -0.815 1.00 0.00 H new ATOM 0 HD23 LEU A 73 13.531 6.039 -1.838 1.00 0.00 H new ATOM 1112 N GLU A 74 12.665 1.443 -5.667 1.00 0.00 N ATOM 1113 CA GLU A 74 11.695 0.456 -6.135 1.00 0.00 C ATOM 1114 C GLU A 74 11.659 -0.734 -5.192 1.00 0.00 C ATOM 1115 O GLU A 74 12.617 -1.492 -5.100 1.00 0.00 O ATOM 1116 CB GLU A 74 12.072 0.009 -7.543 1.00 0.00 C ATOM 1117 CG GLU A 74 11.041 -0.895 -8.197 1.00 0.00 C ATOM 1118 CD GLU A 74 11.307 -1.032 -9.674 1.00 0.00 C ATOM 1119 OE1 GLU A 74 11.197 -0.025 -10.395 1.00 0.00 O ATOM 1120 OE2 GLU A 74 11.627 -2.154 -10.119 1.00 0.00 O ATOM 0 H GLU A 74 13.623 1.099 -5.600 1.00 0.00 H new ATOM 0 HA GLU A 74 10.702 0.905 -6.155 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.216 0.891 -8.167 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.027 -0.514 -7.504 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.063 -1.878 -7.727 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.042 -0.488 -8.039 1.00 0.00 H new ATOM 1127 N ILE A 75 10.573 -0.837 -4.436 1.00 0.00 N ATOM 1128 CA ILE A 75 10.380 -1.950 -3.507 1.00 0.00 C ATOM 1129 C ILE A 75 10.605 -3.315 -4.126 1.00 0.00 C ATOM 1130 O ILE A 75 10.108 -3.630 -5.209 1.00 0.00 O ATOM 1131 CB ILE A 75 8.969 -1.926 -2.882 1.00 0.00 C ATOM 1132 CG1 ILE A 75 7.894 -1.773 -3.966 1.00 0.00 C ATOM 1133 CG2 ILE A 75 8.866 -0.806 -1.865 1.00 0.00 C ATOM 1134 CD1 ILE A 75 6.476 -1.719 -3.420 1.00 0.00 C ATOM 0 H ILE A 75 9.808 -0.162 -4.446 1.00 0.00 H new ATOM 0 HA ILE A 75 11.141 -1.801 -2.741 1.00 0.00 H new ATOM 0 HB ILE A 75 8.801 -2.875 -2.373 1.00 0.00 H new ATOM 0 HG12 ILE A 75 8.090 -0.863 -4.533 1.00 0.00 H new ATOM 0 HG13 ILE A 75 7.973 -2.607 -4.664 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.866 -0.799 -1.431 1.00 0.00 H new ATOM 0 HG22 ILE A 75 9.603 -0.961 -1.077 1.00 0.00 H new ATOM 0 HG23 ILE A 75 9.055 0.149 -2.355 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.772 -1.610 -4.245 1.00 0.00 H new ATOM 0 HD12 ILE A 75 6.260 -2.639 -2.878 1.00 0.00 H new ATOM 0 HD13 ILE A 75 6.378 -0.869 -2.745 1.00 0.00 H new ATOM 1146 N LEU A 76 11.380 -4.119 -3.417 1.00 0.00 N ATOM 1147 CA LEU A 76 11.632 -5.488 -3.796 1.00 0.00 C ATOM 1148 C LEU A 76 10.796 -6.393 -2.886 1.00 0.00 C ATOM 1149 O LEU A 76 10.363 -7.475 -3.295 1.00 0.00 O ATOM 1150 CB LEU A 76 13.126 -5.780 -3.656 1.00 0.00 C ATOM 1151 CG LEU A 76 13.640 -6.995 -4.422 1.00 0.00 C ATOM 1152 CD1 LEU A 76 13.375 -6.841 -5.913 1.00 0.00 C ATOM 1153 CD2 LEU A 76 15.125 -7.163 -4.171 1.00 0.00 C ATOM 0 H LEU A 76 11.852 -3.833 -2.559 1.00 0.00 H new ATOM 0 HA LEU A 76 11.351 -5.671 -4.833 1.00 0.00 H new ATOM 0 HB2 LEU A 76 13.681 -4.903 -3.989 1.00 0.00 H new ATOM 0 HB3 LEU A 76 13.352 -5.918 -2.599 1.00 0.00 H new ATOM 0 HG LEU A 76 13.112 -7.881 -4.071 1.00 0.00 H new ATOM 0 HD11 LEU A 76 13.749 -7.718 -6.441 1.00 0.00 H new ATOM 0 HD12 LEU A 76 12.303 -6.744 -6.084 1.00 0.00 H new ATOM 0 HD13 LEU A 76 13.883 -5.950 -6.283 1.00 0.00 H new ATOM 0 HD21 LEU A 76 15.491 -8.031 -4.719 1.00 0.00 H new ATOM 0 HD22 LEU A 76 15.654 -6.272 -4.508 1.00 0.00 H new ATOM 0 HD23 LEU A 76 15.300 -7.307 -3.105 1.00 0.00 H new ATOM 1165 N GLY A 77 10.580 -5.932 -1.651 1.00 0.00 N ATOM 1166 CA GLY A 77 9.705 -6.602 -0.712 1.00 0.00 C ATOM 1167 C GLY A 77 10.055 -8.060 -0.493 1.00 0.00 C ATOM 1168 O GLY A 77 11.223 -8.443 -0.535 1.00 0.00 O ATOM 0 H GLY A 77 11.011 -5.084 -1.283 1.00 0.00 H new ATOM 0 HA2 GLY A 77 9.743 -6.080 0.244 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.678 -6.533 -1.072 1.00 0.00 H new ATOM 1172 N PHE A 78 9.025 -8.868 -0.238 1.00 0.00 N ATOM 1173 CA PHE A 78 9.212 -10.293 -0.074 1.00 0.00 C ATOM 1174 C PHE A 78 9.086 -10.991 -1.419 1.00 0.00 C ATOM 1175 O PHE A 78 8.889 -12.217 -1.485 1.00 0.00 O ATOM 1176 CB PHE A 78 8.189 -10.870 0.917 1.00 0.00 C ATOM 1177 CG PHE A 78 8.303 -10.315 2.312 1.00 0.00 C ATOM 1178 CD1 PHE A 78 9.228 -10.822 3.204 1.00 0.00 C ATOM 1179 CD2 PHE A 78 7.483 -9.274 2.729 1.00 0.00 C ATOM 1180 CE1 PHE A 78 9.334 -10.313 4.476 1.00 0.00 C ATOM 1181 CE2 PHE A 78 7.583 -8.757 4.000 1.00 0.00 C ATOM 1182 CZ PHE A 78 8.511 -9.279 4.871 1.00 0.00 C ATOM 0 H PHE A 78 8.060 -8.553 -0.143 1.00 0.00 H new ATOM 0 HA PHE A 78 10.211 -10.464 0.328 1.00 0.00 H new ATOM 0 HB2 PHE A 78 7.185 -10.675 0.541 1.00 0.00 H new ATOM 0 HB3 PHE A 78 8.309 -11.953 0.957 1.00 0.00 H new ATOM 0 HD1 PHE A 78 9.877 -11.629 2.898 1.00 0.00 H new ATOM 0 HD2 PHE A 78 6.755 -8.864 2.044 1.00 0.00 H new ATOM 0 HE1 PHE A 78 10.059 -10.721 5.164 1.00 0.00 H new ATOM 0 HE2 PHE A 78 6.938 -7.948 4.311 1.00 0.00 H new ATOM 0 HZ PHE A 78 8.596 -8.877 5.870 1.00 0.00 H new ATOM 1192 N GLU A 79 9.230 -10.210 -2.485 1.00 0.00 N ATOM 1193 CA GLU A 79 9.156 -10.733 -3.843 1.00 0.00 C ATOM 1194 C GLU A 79 10.532 -11.173 -4.328 1.00 0.00 C ATOM 1195 O GLU A 79 10.708 -11.514 -5.494 1.00 0.00 O ATOM 1196 CB GLU A 79 8.589 -9.682 -4.805 1.00 0.00 C ATOM 1197 CG GLU A 79 7.107 -9.392 -4.606 1.00 0.00 C ATOM 1198 CD GLU A 79 6.795 -8.682 -3.304 1.00 0.00 C ATOM 1199 OE1 GLU A 79 7.088 -7.476 -3.175 1.00 0.00 O ATOM 1200 OE2 GLU A 79 6.225 -9.323 -2.396 1.00 0.00 O ATOM 0 H GLU A 79 9.400 -9.206 -2.432 1.00 0.00 H new ATOM 0 HA GLU A 79 8.489 -11.595 -3.827 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.149 -8.755 -4.684 1.00 0.00 H new ATOM 0 HB3 GLU A 79 8.748 -10.019 -5.829 1.00 0.00 H new ATOM 0 HG2 GLU A 79 6.750 -8.783 -5.436 1.00 0.00 H new ATOM 0 HG3 GLU A 79 6.554 -10.331 -4.639 1.00 0.00 H new ATOM 1207 N GLU A 80 11.493 -11.178 -3.417 1.00 0.00 N ATOM 1208 CA GLU A 80 12.843 -11.627 -3.737 1.00 0.00 C ATOM 1209 C GLU A 80 12.844 -13.113 -4.064 1.00 0.00 C ATOM 1210 O GLU A 80 13.465 -13.547 -5.040 1.00 0.00 O ATOM 1211 CB GLU A 80 13.814 -11.362 -2.580 1.00 0.00 C ATOM 1212 CG GLU A 80 13.933 -9.899 -2.198 1.00 0.00 C ATOM 1213 CD GLU A 80 15.017 -9.669 -1.157 1.00 0.00 C ATOM 1214 OE1 GLU A 80 16.210 -9.674 -1.526 1.00 0.00 O ATOM 1215 OE2 GLU A 80 14.686 -9.492 0.036 1.00 0.00 O ATOM 0 H GLU A 80 11.365 -10.877 -2.451 1.00 0.00 H new ATOM 0 HA GLU A 80 13.177 -11.059 -4.606 1.00 0.00 H new ATOM 0 HB2 GLU A 80 13.488 -11.929 -1.708 1.00 0.00 H new ATOM 0 HB3 GLU A 80 14.800 -11.737 -2.854 1.00 0.00 H new ATOM 0 HG2 GLU A 80 14.153 -9.309 -3.087 1.00 0.00 H new ATOM 0 HG3 GLU A 80 12.977 -9.547 -1.810 1.00 0.00 H new TER 1222 GLU A 80