USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 599 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 Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.302 K(o=-0.3,f=-2.7!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 MET CE :methyl 165:sc= -0.0729 (180deg=-0.384) USER MOD Single : A 24 SER OG : rot 140:sc= -0.565! USER MOD Single : A 27 TYR OH : rot 180:sc=-0.00459 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HE2:sc= -0.701 K(o=-0.7,f=-7.8!) USER MOD Single : A 35 THR OG1 : rot 130:sc= -0.629 USER MOD Single : A 40 MET CE :methyl -148:sc= -1.01 (180deg=-1.65) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.11 K(o=-0.11,f=-2.3!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.00506 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.0168 USER MOD Single : A 55 HIS : no HD1:sc= -0.313 X(o=-0.31,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 179:sc= 1.27 (180deg=1.21) USER MOD Single : A 64 GLN : amide:sc= 0.397 K(o=0.4,f=-5.2!) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot -30:sc= 0.156 USER MOD Single : A 72 ASN :FLIP amide:sc= -0.645 F(o=-2!,f=-0.64) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 7 -8.739 -15.467 -12.438 1.00 0.00 N ATOM 2 CA SER A 7 -8.875 -14.013 -12.503 1.00 0.00 C ATOM 3 C SER A 7 -9.839 -13.565 -11.414 1.00 0.00 C ATOM 4 O SER A 7 -11.065 -13.589 -11.581 1.00 0.00 O ATOM 5 CB SER A 7 -9.346 -13.565 -13.903 1.00 0.00 C ATOM 6 OG SER A 7 -9.328 -12.139 -14.064 1.00 0.00 O ATOM 0 HA SER A 7 -7.906 -13.543 -12.335 1.00 0.00 H new ATOM 0 HB2 SER A 7 -8.707 -14.020 -14.660 1.00 0.00 H new ATOM 0 HB3 SER A 7 -10.357 -13.933 -14.077 1.00 0.00 H new ATOM 0 HG SER A 7 -9.633 -11.908 -14.966 1.00 0.00 H new ATOM 12 N GLY A 8 -9.292 -13.212 -10.272 1.00 0.00 N ATOM 13 CA GLY A 8 -10.116 -12.766 -9.184 1.00 0.00 C ATOM 14 C GLY A 8 -9.960 -11.291 -9.019 1.00 0.00 C ATOM 15 O GLY A 8 -9.081 -10.828 -8.294 1.00 0.00 O ATOM 0 H GLY A 8 -8.291 -13.226 -10.079 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -11.160 -13.013 -9.378 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -9.833 -13.278 -8.265 1.00 0.00 H new ATOM 19 N ARG A 9 -10.779 -10.547 -9.712 1.00 0.00 N ATOM 20 CA ARG A 9 -10.709 -9.134 -9.680 1.00 0.00 C ATOM 21 C ARG A 9 -12.110 -8.545 -9.728 1.00 0.00 C ATOM 22 O ARG A 9 -12.770 -8.550 -10.769 1.00 0.00 O ATOM 23 CB ARG A 9 -9.869 -8.648 -10.850 1.00 0.00 C ATOM 24 CG ARG A 9 -9.645 -7.175 -10.793 1.00 0.00 C ATOM 25 CD ARG A 9 -8.730 -6.661 -11.883 1.00 0.00 C ATOM 26 NE ARG A 9 -8.476 -5.227 -11.718 1.00 0.00 N ATOM 27 CZ ARG A 9 -8.283 -4.355 -12.709 1.00 0.00 C ATOM 28 NH1 ARG A 9 -8.303 -4.757 -13.973 1.00 0.00 N ATOM 29 NH2 ARG A 9 -8.062 -3.082 -12.428 1.00 0.00 N ATOM 0 H ARG A 9 -11.514 -10.918 -10.314 1.00 0.00 H new ATOM 0 HA ARG A 9 -10.238 -8.806 -8.753 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.908 -9.163 -10.847 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -10.365 -8.905 -11.786 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -10.606 -6.666 -10.867 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -9.221 -6.917 -9.822 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -7.787 -7.207 -11.859 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -9.180 -6.845 -12.858 1.00 0.00 H new ATOM 0 HE ARG A 9 -8.444 -4.865 -10.765 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -8.467 -5.739 -14.193 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -8.155 -4.084 -14.725 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -8.040 -2.771 -11.457 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -7.914 -2.412 -13.182 1.00 0.00 H new ATOM 43 N GLU A 10 -12.570 -8.121 -8.584 1.00 0.00 N ATOM 44 CA GLU A 10 -13.847 -7.456 -8.444 1.00 0.00 C ATOM 45 C GLU A 10 -13.547 -6.061 -7.946 1.00 0.00 C ATOM 46 O GLU A 10 -12.837 -5.914 -6.944 1.00 0.00 O ATOM 47 CB GLU A 10 -14.782 -8.142 -7.434 1.00 0.00 C ATOM 48 CG GLU A 10 -15.278 -9.545 -7.779 1.00 0.00 C ATOM 49 CD GLU A 10 -14.216 -10.616 -7.740 1.00 0.00 C ATOM 50 OE1 GLU A 10 -13.637 -10.860 -6.662 1.00 0.00 O ATOM 51 OE2 GLU A 10 -13.981 -11.285 -8.760 1.00 0.00 O ATOM 0 H GLU A 10 -12.064 -8.227 -7.705 1.00 0.00 H new ATOM 0 HA GLU A 10 -14.359 -7.475 -9.406 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -14.264 -8.193 -6.476 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -15.653 -7.502 -7.292 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -16.073 -9.816 -7.084 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -15.718 -9.525 -8.776 1.00 0.00 H new ATOM 58 N ASN A 11 -14.043 -5.058 -8.633 1.00 0.00 N ATOM 59 CA ASN A 11 -13.774 -3.683 -8.250 1.00 0.00 C ATOM 60 C ASN A 11 -14.766 -3.236 -7.189 1.00 0.00 C ATOM 61 O ASN A 11 -15.940 -2.941 -7.474 1.00 0.00 O ATOM 62 CB ASN A 11 -13.739 -2.750 -9.480 1.00 0.00 C ATOM 63 CG ASN A 11 -13.370 -1.289 -9.194 1.00 0.00 C ATOM 64 OD1 ASN A 11 -13.722 -0.692 -8.173 1.00 0.00 O ATOM 65 ND2 ASN A 11 -12.623 -0.693 -10.100 1.00 0.00 N ATOM 0 H ASN A 11 -14.634 -5.163 -9.458 1.00 0.00 H new ATOM 0 HA ASN A 11 -12.779 -3.624 -7.808 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -13.025 -3.152 -10.198 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -14.718 -2.772 -9.958 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -12.328 0.274 -9.962 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -12.339 -1.198 -10.939 1.00 0.00 H new ATOM 72 N LEU A 12 -14.297 -3.237 -5.968 1.00 0.00 N ATOM 73 CA LEU A 12 -15.071 -2.867 -4.806 1.00 0.00 C ATOM 74 C LEU A 12 -14.304 -1.848 -4.024 1.00 0.00 C ATOM 75 O LEU A 12 -13.195 -1.476 -4.406 1.00 0.00 O ATOM 76 CB LEU A 12 -15.388 -4.068 -3.911 1.00 0.00 C ATOM 77 CG LEU A 12 -16.351 -5.098 -4.476 1.00 0.00 C ATOM 78 CD1 LEU A 12 -16.485 -6.269 -3.524 1.00 0.00 C ATOM 79 CD2 LEU A 12 -17.718 -4.484 -4.735 1.00 0.00 C ATOM 0 H LEU A 12 -13.338 -3.503 -5.746 1.00 0.00 H new ATOM 0 HA LEU A 12 -16.023 -2.460 -5.148 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -14.452 -4.572 -3.671 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -15.799 -3.695 -2.973 1.00 0.00 H new ATOM 0 HG LEU A 12 -15.947 -5.451 -5.425 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -17.178 -7.000 -3.941 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -15.510 -6.735 -3.380 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -16.864 -5.916 -2.565 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -18.387 -5.243 -5.139 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -18.127 -4.100 -3.801 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -17.621 -3.668 -5.451 1.00 0.00 H new ATOM 91 N TYR A 13 -14.876 -1.421 -2.932 1.00 0.00 N ATOM 92 CA TYR A 13 -14.265 -0.387 -2.124 1.00 0.00 C ATOM 93 C TYR A 13 -12.991 -0.838 -1.445 1.00 0.00 C ATOM 94 O TYR A 13 -12.988 -1.820 -0.682 1.00 0.00 O ATOM 95 CB TYR A 13 -15.214 0.166 -1.059 1.00 0.00 C ATOM 96 CG TYR A 13 -16.293 1.075 -1.578 1.00 0.00 C ATOM 97 CD1 TYR A 13 -17.581 0.620 -1.821 1.00 0.00 C ATOM 98 CD2 TYR A 13 -16.012 2.409 -1.816 1.00 0.00 C ATOM 99 CE1 TYR A 13 -18.556 1.477 -2.287 1.00 0.00 C ATOM 100 CE2 TYR A 13 -16.974 3.267 -2.281 1.00 0.00 C ATOM 101 CZ TYR A 13 -18.242 2.800 -2.514 1.00 0.00 C ATOM 102 OH TYR A 13 -19.199 3.663 -2.982 1.00 0.00 O ATOM 0 H TYR A 13 -15.766 -1.770 -2.576 1.00 0.00 H new ATOM 0 HA TYR A 13 -14.022 0.402 -2.836 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -15.683 -0.671 -0.542 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -14.627 0.710 -0.318 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -17.823 -0.417 -1.643 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -15.015 2.781 -1.632 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -19.556 1.115 -2.472 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -16.735 4.304 -2.463 1.00 0.00 H new ATOM 0 HH TYR A 13 -18.811 4.557 -3.086 1.00 0.00 H new ATOM 112 N PHE A 14 -11.910 -0.139 -1.730 1.00 0.00 N ATOM 113 CA PHE A 14 -10.706 -0.322 -0.966 1.00 0.00 C ATOM 114 C PHE A 14 -10.904 0.482 0.291 1.00 0.00 C ATOM 115 O PHE A 14 -10.653 1.684 0.334 1.00 0.00 O ATOM 116 CB PHE A 14 -9.422 0.112 -1.687 1.00 0.00 C ATOM 117 CG PHE A 14 -8.880 -0.866 -2.686 1.00 0.00 C ATOM 118 CD1 PHE A 14 -8.051 -1.895 -2.265 1.00 0.00 C ATOM 119 CD2 PHE A 14 -9.164 -0.752 -4.033 1.00 0.00 C ATOM 120 CE1 PHE A 14 -7.520 -2.795 -3.166 1.00 0.00 C ATOM 121 CE2 PHE A 14 -8.638 -1.653 -4.938 1.00 0.00 C ATOM 122 CZ PHE A 14 -7.815 -2.673 -4.507 1.00 0.00 C ATOM 0 H PHE A 14 -11.846 0.552 -2.478 1.00 0.00 H new ATOM 0 HA PHE A 14 -10.557 -1.385 -0.779 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -9.614 1.056 -2.196 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -8.653 0.304 -0.939 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.817 -1.993 -1.215 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -9.802 0.047 -4.381 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -6.876 -3.591 -2.822 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -8.872 -1.559 -5.988 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.403 -3.374 -5.218 1.00 0.00 H new ATOM 132 N GLN A 15 -11.469 -0.183 1.266 1.00 0.00 N ATOM 133 CA GLN A 15 -11.784 0.409 2.535 1.00 0.00 C ATOM 134 C GLN A 15 -10.518 0.618 3.316 1.00 0.00 C ATOM 135 O GLN A 15 -9.991 -0.295 3.960 1.00 0.00 O ATOM 136 CB GLN A 15 -12.788 -0.455 3.281 1.00 0.00 C ATOM 137 CG GLN A 15 -14.103 -0.567 2.533 1.00 0.00 C ATOM 138 CD GLN A 15 -15.042 -1.589 3.125 1.00 0.00 C ATOM 139 OE1 GLN A 15 -15.832 -1.283 4.011 1.00 0.00 O ATOM 140 NE2 GLN A 15 -14.997 -2.806 2.620 1.00 0.00 N ATOM 0 H GLN A 15 -11.726 -1.168 1.196 1.00 0.00 H new ATOM 0 HA GLN A 15 -12.249 1.384 2.388 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -12.370 -1.450 3.431 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -12.967 -0.032 4.269 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -14.594 0.406 2.527 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -13.901 -0.828 1.494 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -14.327 -3.028 1.883 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -15.632 -3.526 2.966 1.00 0.00 H new ATOM 149 N GLY A 16 -9.994 1.795 3.148 1.00 0.00 N ATOM 150 CA GLY A 16 -8.805 2.186 3.819 1.00 0.00 C ATOM 151 C GLY A 16 -9.098 2.501 5.251 1.00 0.00 C ATOM 152 O GLY A 16 -9.679 3.547 5.564 1.00 0.00 O ATOM 0 H GLY A 16 -10.387 2.511 2.536 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.066 1.387 3.759 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -8.372 3.058 3.329 1.00 0.00 H new ATOM 156 N HIS A 17 -8.792 1.567 6.116 1.00 0.00 N ATOM 157 CA HIS A 17 -8.907 1.819 7.530 1.00 0.00 C ATOM 158 C HIS A 17 -7.778 2.767 7.840 1.00 0.00 C ATOM 159 O HIS A 17 -6.644 2.536 7.373 1.00 0.00 O ATOM 160 CB HIS A 17 -8.790 0.533 8.363 1.00 0.00 C ATOM 161 CG HIS A 17 -9.840 -0.493 8.060 1.00 0.00 C ATOM 162 ND1 HIS A 17 -10.987 -0.662 8.799 1.00 0.00 N ATOM 163 CD2 HIS A 17 -9.895 -1.420 7.071 1.00 0.00 C ATOM 164 CE1 HIS A 17 -11.687 -1.657 8.257 1.00 0.00 C ATOM 165 NE2 HIS A 17 -11.068 -2.158 7.196 1.00 0.00 N ATOM 0 H HIS A 17 -8.464 0.633 5.869 1.00 0.00 H new ATOM 0 HA HIS A 17 -9.884 2.232 7.782 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -7.808 0.092 8.194 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -8.845 0.792 9.420 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -9.146 -1.563 6.306 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -12.636 -2.010 8.633 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -11.385 -2.922 6.599 1.00 0.00 H new ATOM 173 N MET A 18 -8.086 3.841 8.539 1.00 0.00 N ATOM 174 CA MET A 18 -7.103 4.869 8.808 1.00 0.00 C ATOM 175 C MET A 18 -5.866 4.366 9.490 1.00 0.00 C ATOM 176 O MET A 18 -5.905 3.674 10.512 1.00 0.00 O ATOM 177 CB MET A 18 -7.675 6.117 9.467 1.00 0.00 C ATOM 178 CG MET A 18 -8.486 6.945 8.490 1.00 0.00 C ATOM 179 SD MET A 18 -9.227 8.425 9.204 1.00 0.00 S ATOM 180 CE MET A 18 -7.771 9.340 9.702 1.00 0.00 C ATOM 0 H MET A 18 -9.010 4.024 8.931 1.00 0.00 H new ATOM 0 HA MET A 18 -6.779 5.188 7.817 1.00 0.00 H new ATOM 0 HB2 MET A 18 -8.304 5.828 10.309 1.00 0.00 H new ATOM 0 HB3 MET A 18 -6.862 6.721 9.869 1.00 0.00 H new ATOM 0 HG2 MET A 18 -7.843 7.239 7.661 1.00 0.00 H new ATOM 0 HG3 MET A 18 -9.277 6.322 8.074 1.00 0.00 H new ATOM 0 HE1 MET A 18 -8.045 10.374 9.911 1.00 0.00 H new ATOM 0 HE2 MET A 18 -7.347 8.889 10.599 1.00 0.00 H new ATOM 0 HE3 MET A 18 -7.034 9.315 8.900 1.00 0.00 H new ATOM 190 N ALA A 19 -4.790 4.697 8.853 1.00 0.00 N ATOM 191 CA ALA A 19 -3.466 4.351 9.270 1.00 0.00 C ATOM 192 C ALA A 19 -2.671 5.619 9.158 1.00 0.00 C ATOM 193 O ALA A 19 -2.901 6.404 8.234 1.00 0.00 O ATOM 194 CB ALA A 19 -2.893 3.271 8.368 1.00 0.00 C ATOM 0 H ALA A 19 -4.809 5.240 7.990 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.446 3.954 10.285 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.885 3.018 8.698 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.524 2.384 8.417 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.858 3.635 7.341 1.00 0.00 H new ATOM 200 N ALA A 20 -1.774 5.838 10.068 1.00 0.00 N ATOM 201 CA ALA A 20 -1.027 7.066 10.095 1.00 0.00 C ATOM 202 C ALA A 20 0.243 6.926 9.278 1.00 0.00 C ATOM 203 O ALA A 20 0.759 5.814 9.147 1.00 0.00 O ATOM 204 CB ALA A 20 -0.696 7.418 11.534 1.00 0.00 C ATOM 0 H ALA A 20 -1.537 5.179 10.810 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.626 7.865 9.658 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.129 8.349 11.560 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.619 7.539 12.100 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -0.101 6.619 11.977 1.00 0.00 H new ATOM 210 N PRO A 21 0.723 8.024 8.651 1.00 0.00 N ATOM 211 CA PRO A 21 2.023 8.041 7.983 1.00 0.00 C ATOM 212 C PRO A 21 3.108 7.715 9.005 1.00 0.00 C ATOM 213 O PRO A 21 3.560 8.568 9.775 1.00 0.00 O ATOM 214 CB PRO A 21 2.159 9.478 7.477 1.00 0.00 C ATOM 215 CG PRO A 21 0.763 9.958 7.364 1.00 0.00 C ATOM 216 CD PRO A 21 0.024 9.313 8.496 1.00 0.00 C ATOM 0 HA PRO A 21 2.114 7.316 7.175 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.736 10.091 8.170 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.672 9.515 6.516 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.715 11.045 7.433 1.00 0.00 H new ATOM 0 HG3 PRO A 21 0.329 9.680 6.403 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.074 9.912 9.405 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -1.032 9.175 8.263 1.00 0.00 H new ATOM 224 N ALA A 22 3.471 6.456 9.033 1.00 0.00 N ATOM 225 CA ALA A 22 4.349 5.921 10.049 1.00 0.00 C ATOM 226 C ALA A 22 5.744 5.615 9.543 1.00 0.00 C ATOM 227 O ALA A 22 6.505 4.873 10.169 1.00 0.00 O ATOM 228 CB ALA A 22 3.693 4.690 10.615 1.00 0.00 C ATOM 0 H ALA A 22 3.164 5.767 8.347 1.00 0.00 H new ATOM 0 HA ALA A 22 4.492 6.679 10.820 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.331 4.260 11.387 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.729 4.958 11.048 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.543 3.960 9.820 1.00 0.00 H new ATOM 234 N ARG A 23 6.084 6.242 8.451 1.00 0.00 N ATOM 235 CA ARG A 23 7.383 6.103 7.787 1.00 0.00 C ATOM 236 C ARG A 23 7.670 4.700 7.241 1.00 0.00 C ATOM 237 O ARG A 23 8.819 4.340 6.991 1.00 0.00 O ATOM 238 CB ARG A 23 8.542 6.639 8.635 1.00 0.00 C ATOM 239 CG ARG A 23 8.429 8.128 8.887 1.00 0.00 C ATOM 240 CD ARG A 23 9.635 8.678 9.609 1.00 0.00 C ATOM 241 NE ARG A 23 9.530 10.127 9.795 1.00 0.00 N ATOM 242 CZ ARG A 23 10.477 11.014 9.490 1.00 0.00 C ATOM 243 NH1 ARG A 23 11.579 10.631 8.849 1.00 0.00 N ATOM 244 NH2 ARG A 23 10.296 12.291 9.798 1.00 0.00 N ATOM 0 H ARG A 23 5.457 6.887 7.971 1.00 0.00 H new ATOM 0 HA ARG A 23 7.306 6.741 6.906 1.00 0.00 H new ATOM 0 HB2 ARG A 23 8.565 6.112 9.589 1.00 0.00 H new ATOM 0 HB3 ARG A 23 9.485 6.429 8.131 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.309 8.647 7.936 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.533 8.328 9.475 1.00 0.00 H new ATOM 0 HD2 ARG A 23 9.734 8.191 10.579 1.00 0.00 H new ATOM 0 HD3 ARG A 23 10.537 8.446 9.043 1.00 0.00 H new ATOM 0 HE ARG A 23 8.661 10.487 10.190 1.00 0.00 H new ATOM 0 HH11 ARG A 23 11.703 9.653 8.588 1.00 0.00 H new ATOM 0 HH12 ARG A 23 12.299 11.316 8.619 1.00 0.00 H new ATOM 0 HH21 ARG A 23 9.438 12.587 10.264 1.00 0.00 H new ATOM 0 HH22 ARG A 23 11.015 12.978 9.569 1.00 0.00 H new ATOM 258 N SER A 24 6.630 3.941 6.965 1.00 0.00 N ATOM 259 CA SER A 24 6.777 2.641 6.335 1.00 0.00 C ATOM 260 C SER A 24 5.573 2.329 5.459 1.00 0.00 C ATOM 261 O SER A 24 4.458 2.685 5.817 1.00 0.00 O ATOM 262 CB SER A 24 6.953 1.537 7.374 1.00 0.00 C ATOM 263 OG SER A 24 8.162 1.686 8.095 1.00 0.00 O ATOM 0 H SER A 24 5.665 4.203 7.168 1.00 0.00 H new ATOM 0 HA SER A 24 7.672 2.679 5.714 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.112 1.552 8.067 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.942 0.566 6.879 1.00 0.00 H new ATOM 0 HG SER A 24 8.008 1.476 9.040 1.00 0.00 H new ATOM 269 N CYS A 25 5.817 1.674 4.340 1.00 0.00 N ATOM 270 CA CYS A 25 4.792 1.210 3.435 1.00 0.00 C ATOM 271 C CYS A 25 4.731 -0.283 3.581 1.00 0.00 C ATOM 272 O CYS A 25 5.744 -0.970 3.583 1.00 0.00 O ATOM 273 CB CYS A 25 5.090 1.561 1.979 1.00 0.00 C ATOM 274 SG CYS A 25 4.817 3.297 1.541 1.00 0.00 S ATOM 0 H CYS A 25 6.762 1.445 4.030 1.00 0.00 H new ATOM 0 HA CYS A 25 3.848 1.694 3.686 1.00 0.00 H new ATOM 0 HB2 CYS A 25 6.128 1.306 1.764 1.00 0.00 H new ATOM 0 HB3 CYS A 25 4.469 0.937 1.336 1.00 0.00 H new ATOM 279 N VAL A 26 3.551 -0.768 3.743 1.00 0.00 N ATOM 280 CA VAL A 26 3.303 -2.151 4.018 1.00 0.00 C ATOM 281 C VAL A 26 2.551 -2.700 2.835 1.00 0.00 C ATOM 282 O VAL A 26 1.440 -2.261 2.547 1.00 0.00 O ATOM 283 CB VAL A 26 2.475 -2.221 5.313 1.00 0.00 C ATOM 284 CG1 VAL A 26 2.408 -3.585 5.901 1.00 0.00 C ATOM 285 CG2 VAL A 26 3.071 -1.296 6.305 1.00 0.00 C ATOM 0 H VAL A 26 2.703 -0.203 3.688 1.00 0.00 H new ATOM 0 HA VAL A 26 4.212 -2.735 4.161 1.00 0.00 H new ATOM 0 HB VAL A 26 1.454 -1.939 5.058 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.809 -3.560 6.811 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.951 -4.268 5.185 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.415 -3.929 6.139 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.495 -1.334 7.230 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.100 -1.592 6.506 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.057 -0.280 5.910 1.00 0.00 H new ATOM 295 N TYR A 27 3.186 -3.601 2.129 1.00 0.00 N ATOM 296 CA TYR A 27 2.650 -4.109 0.889 1.00 0.00 C ATOM 297 C TYR A 27 1.761 -5.300 1.102 1.00 0.00 C ATOM 298 O TYR A 27 2.117 -6.254 1.804 1.00 0.00 O ATOM 299 CB TYR A 27 3.766 -4.370 -0.136 1.00 0.00 C ATOM 300 CG TYR A 27 4.407 -3.079 -0.607 1.00 0.00 C ATOM 301 CD1 TYR A 27 5.176 -2.312 0.253 1.00 0.00 C ATOM 302 CD2 TYR A 27 4.219 -2.610 -1.901 1.00 0.00 C ATOM 303 CE1 TYR A 27 5.729 -1.122 -0.146 1.00 0.00 C ATOM 304 CE2 TYR A 27 4.786 -1.416 -2.308 1.00 0.00 C ATOM 305 CZ TYR A 27 5.535 -0.677 -1.424 1.00 0.00 C ATOM 306 OH TYR A 27 6.084 0.521 -1.817 1.00 0.00 O ATOM 0 H TYR A 27 4.085 -4.002 2.395 1.00 0.00 H new ATOM 0 HA TYR A 27 2.010 -3.335 0.465 1.00 0.00 H new ATOM 0 HB2 TYR A 27 4.526 -5.013 0.309 1.00 0.00 H new ATOM 0 HB3 TYR A 27 3.356 -4.906 -0.992 1.00 0.00 H new ATOM 0 HD1 TYR A 27 5.344 -2.659 1.262 1.00 0.00 H new ATOM 0 HD2 TYR A 27 3.624 -3.184 -2.596 1.00 0.00 H new ATOM 0 HE1 TYR A 27 6.316 -0.538 0.547 1.00 0.00 H new ATOM 0 HE2 TYR A 27 4.640 -1.065 -3.319 1.00 0.00 H new ATOM 0 HH TYR A 27 5.855 0.694 -2.754 1.00 0.00 H new ATOM 316 N TYR A 28 0.598 -5.216 0.512 1.00 0.00 N ATOM 317 CA TYR A 28 -0.402 -6.216 0.610 1.00 0.00 C ATOM 318 C TYR A 28 -0.872 -6.636 -0.769 1.00 0.00 C ATOM 319 O TYR A 28 -1.043 -5.809 -1.661 1.00 0.00 O ATOM 320 CB TYR A 28 -1.620 -5.716 1.380 1.00 0.00 C ATOM 321 CG TYR A 28 -1.434 -5.392 2.854 1.00 0.00 C ATOM 322 CD1 TYR A 28 -1.199 -4.097 3.313 1.00 0.00 C ATOM 323 CD2 TYR A 28 -1.526 -6.401 3.796 1.00 0.00 C ATOM 324 CE1 TYR A 28 -1.066 -3.845 4.669 1.00 0.00 C ATOM 325 CE2 TYR A 28 -1.390 -6.155 5.143 1.00 0.00 C ATOM 326 CZ TYR A 28 -1.162 -4.877 5.577 1.00 0.00 C ATOM 327 OH TYR A 28 -1.039 -4.627 6.926 1.00 0.00 O ATOM 0 H TYR A 28 0.324 -4.421 -0.065 1.00 0.00 H new ATOM 0 HA TYR A 28 0.047 -7.058 1.137 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.988 -4.819 0.882 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -2.403 -6.470 1.297 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -1.120 -3.284 2.606 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -1.710 -7.412 3.464 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -0.887 -2.838 5.015 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -1.463 -6.965 5.853 1.00 0.00 H new ATOM 0 HH TYR A 28 -1.133 -5.466 7.424 1.00 0.00 H new ATOM 337 N ASP A 29 -1.050 -7.916 -0.923 1.00 0.00 N ATOM 338 CA ASP A 29 -1.631 -8.520 -2.117 1.00 0.00 C ATOM 339 C ASP A 29 -3.111 -8.635 -1.860 1.00 0.00 C ATOM 340 O ASP A 29 -3.531 -9.450 -1.038 1.00 0.00 O ATOM 341 CB ASP A 29 -1.029 -9.917 -2.278 1.00 0.00 C ATOM 342 CG ASP A 29 -1.657 -10.842 -3.317 1.00 0.00 C ATOM 343 OD1 ASP A 29 -2.822 -11.274 -3.164 1.00 0.00 O ATOM 344 OD2 ASP A 29 -0.960 -11.269 -4.246 1.00 0.00 O ATOM 0 H ASP A 29 -0.793 -8.599 -0.210 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.437 -7.935 -3.016 1.00 0.00 H new ATOM 0 HB2 ASP A 29 0.026 -9.802 -2.525 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.077 -10.417 -1.311 1.00 0.00 H new ATOM 349 N GLY A 30 -3.888 -7.762 -2.427 1.00 0.00 N ATOM 350 CA GLY A 30 -5.307 -7.868 -2.242 1.00 0.00 C ATOM 351 C GLY A 30 -6.068 -6.914 -3.079 1.00 0.00 C ATOM 352 O GLY A 30 -5.708 -5.748 -3.186 1.00 0.00 O ATOM 0 H GLY A 30 -3.575 -6.985 -3.009 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.624 -8.884 -2.477 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.546 -7.694 -1.193 1.00 0.00 H new ATOM 356 N HIS A 31 -7.134 -7.394 -3.644 1.00 0.00 N ATOM 357 CA HIS A 31 -7.993 -6.526 -4.419 1.00 0.00 C ATOM 358 C HIS A 31 -9.121 -6.054 -3.498 1.00 0.00 C ATOM 359 O HIS A 31 -9.954 -5.219 -3.858 1.00 0.00 O ATOM 360 CB HIS A 31 -8.541 -7.247 -5.654 1.00 0.00 C ATOM 361 CG HIS A 31 -8.814 -6.314 -6.797 1.00 0.00 C ATOM 362 ND1 HIS A 31 -10.034 -5.756 -7.099 1.00 0.00 N ATOM 363 CD2 HIS A 31 -7.955 -5.845 -7.730 1.00 0.00 C ATOM 364 CE1 HIS A 31 -9.882 -4.988 -8.180 1.00 0.00 C ATOM 365 NE2 HIS A 31 -8.633 -5.007 -8.607 1.00 0.00 N ATOM 0 H HIS A 31 -7.434 -8.367 -3.590 1.00 0.00 H new ATOM 0 HA HIS A 31 -7.431 -5.670 -4.791 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -7.827 -8.006 -5.973 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -9.461 -7.767 -5.387 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -10.903 -5.903 -6.586 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -6.903 -6.085 -7.785 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -10.677 -4.424 -8.645 1.00 0.00 H new ATOM 373 N LEU A 32 -9.131 -6.623 -2.295 1.00 0.00 N ATOM 374 CA LEU A 32 -10.064 -6.277 -1.257 1.00 0.00 C ATOM 375 C LEU A 32 -9.256 -5.909 -0.032 1.00 0.00 C ATOM 376 O LEU A 32 -8.156 -6.434 0.167 1.00 0.00 O ATOM 377 CB LEU A 32 -10.986 -7.445 -0.852 1.00 0.00 C ATOM 378 CG LEU A 32 -11.946 -8.038 -1.879 1.00 0.00 C ATOM 379 CD1 LEU A 32 -12.789 -6.977 -2.569 1.00 0.00 C ATOM 380 CD2 LEU A 32 -11.234 -8.932 -2.863 1.00 0.00 C ATOM 0 H LEU A 32 -8.472 -7.352 -2.021 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.691 -5.468 -1.633 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.349 -8.255 -0.495 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.582 -7.111 -0.003 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.644 -8.668 -1.327 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -13.454 -7.453 -3.289 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -13.381 -6.443 -1.826 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -12.137 -6.274 -3.087 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.954 -9.334 -3.577 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.477 -8.356 -3.396 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.756 -9.753 -2.329 1.00 0.00 H new ATOM 392 N PRO A 33 -9.790 -5.034 0.822 1.00 0.00 N ATOM 393 CA PRO A 33 -9.129 -4.635 2.071 1.00 0.00 C ATOM 394 C PRO A 33 -9.195 -5.742 3.137 1.00 0.00 C ATOM 395 O PRO A 33 -8.604 -5.624 4.209 1.00 0.00 O ATOM 396 CB PRO A 33 -9.953 -3.425 2.519 1.00 0.00 C ATOM 397 CG PRO A 33 -11.308 -3.679 1.959 1.00 0.00 C ATOM 398 CD PRO A 33 -11.076 -4.327 0.627 1.00 0.00 C ATOM 0 HA PRO A 33 -8.068 -4.428 1.932 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -9.980 -3.342 3.605 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -9.533 -2.494 2.138 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.889 -4.328 2.615 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -11.869 -2.750 1.851 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -11.880 -5.016 0.367 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -11.015 -3.591 -0.175 1.00 0.00 H new ATOM 406 N ALA A 34 -9.931 -6.798 2.834 1.00 0.00 N ATOM 407 CA ALA A 34 -10.111 -7.917 3.745 1.00 0.00 C ATOM 408 C ALA A 34 -9.163 -9.075 3.440 1.00 0.00 C ATOM 409 O ALA A 34 -8.426 -9.525 4.310 1.00 0.00 O ATOM 410 CB ALA A 34 -11.547 -8.409 3.690 1.00 0.00 C ATOM 0 H ALA A 34 -10.422 -6.904 1.946 1.00 0.00 H new ATOM 0 HA ALA A 34 -9.878 -7.554 4.746 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -11.671 -9.247 4.376 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.220 -7.601 3.979 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -11.782 -8.732 2.676 1.00 0.00 H new ATOM 416 N THR A 35 -9.135 -9.513 2.193 1.00 0.00 N ATOM 417 CA THR A 35 -8.396 -10.708 1.792 1.00 0.00 C ATOM 418 C THR A 35 -6.966 -10.393 1.371 1.00 0.00 C ATOM 419 O THR A 35 -6.293 -11.188 0.696 1.00 0.00 O ATOM 420 CB THR A 35 -9.137 -11.351 0.618 1.00 0.00 C ATOM 421 OG1 THR A 35 -9.361 -10.354 -0.393 1.00 0.00 O ATOM 422 CG2 THR A 35 -10.470 -11.920 1.065 1.00 0.00 C ATOM 0 H THR A 35 -9.624 -9.052 1.425 1.00 0.00 H new ATOM 0 HA THR A 35 -8.339 -11.380 2.648 1.00 0.00 H new ATOM 0 HB THR A 35 -8.530 -12.165 0.222 1.00 0.00 H new ATOM 0 HG1 THR A 35 -9.064 -10.696 -1.262 1.00 0.00 H new ATOM 0 HG21 THR A 35 -10.977 -12.371 0.212 1.00 0.00 H new ATOM 0 HG22 THR A 35 -10.304 -12.677 1.831 1.00 0.00 H new ATOM 0 HG23 THR A 35 -11.088 -11.121 1.473 1.00 0.00 H new ATOM 430 N ARG A 36 -6.504 -9.242 1.793 1.00 0.00 N ATOM 431 CA ARG A 36 -5.178 -8.782 1.483 1.00 0.00 C ATOM 432 C ARG A 36 -4.137 -9.604 2.255 1.00 0.00 C ATOM 433 O ARG A 36 -4.402 -10.081 3.358 1.00 0.00 O ATOM 434 CB ARG A 36 -5.094 -7.302 1.804 1.00 0.00 C ATOM 435 CG ARG A 36 -5.293 -6.986 3.268 1.00 0.00 C ATOM 436 CD ARG A 36 -5.286 -5.502 3.485 1.00 0.00 C ATOM 437 NE ARG A 36 -5.292 -5.166 4.895 1.00 0.00 N ATOM 438 CZ ARG A 36 -4.955 -3.964 5.357 1.00 0.00 C ATOM 439 NH1 ARG A 36 -4.822 -2.966 4.499 1.00 0.00 N ATOM 440 NH2 ARG A 36 -4.782 -3.756 6.654 1.00 0.00 N ATOM 0 H ARG A 36 -7.045 -8.594 2.366 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.963 -8.919 0.423 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.121 -6.926 1.489 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.845 -6.770 1.221 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -6.238 -7.406 3.613 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.503 -7.451 3.858 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.405 -5.069 3.012 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.157 -5.060 3.002 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.567 -5.884 5.565 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.977 -3.125 3.504 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.564 -2.037 4.833 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.907 -4.523 7.315 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.524 -2.829 6.992 1.00 0.00 H new ATOM 454 N VAL A 37 -2.969 -9.755 1.678 1.00 0.00 N ATOM 455 CA VAL A 37 -1.917 -10.597 2.234 1.00 0.00 C ATOM 456 C VAL A 37 -0.696 -9.740 2.472 1.00 0.00 C ATOM 457 O VAL A 37 -0.300 -9.003 1.577 1.00 0.00 O ATOM 458 CB VAL A 37 -1.528 -11.724 1.234 1.00 0.00 C ATOM 459 CG1 VAL A 37 -0.464 -12.650 1.795 1.00 0.00 C ATOM 460 CG2 VAL A 37 -2.736 -12.519 0.781 1.00 0.00 C ATOM 0 H VAL A 37 -2.712 -9.297 0.803 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.277 -11.046 3.160 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.105 -11.223 0.363 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.227 -13.419 1.060 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.434 -12.076 2.023 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.835 -13.120 2.706 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.420 -13.295 0.084 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.213 -12.980 1.646 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.445 -11.854 0.287 1.00 0.00 H new ATOM 470 N LEU A 38 -0.131 -9.813 3.662 1.00 0.00 N ATOM 471 CA LEU A 38 1.073 -9.076 3.995 1.00 0.00 C ATOM 472 C LEU A 38 2.240 -9.665 3.210 1.00 0.00 C ATOM 473 O LEU A 38 2.590 -10.835 3.383 1.00 0.00 O ATOM 474 CB LEU A 38 1.299 -9.132 5.527 1.00 0.00 C ATOM 475 CG LEU A 38 2.480 -8.349 6.152 1.00 0.00 C ATOM 476 CD1 LEU A 38 3.833 -9.002 5.915 1.00 0.00 C ATOM 477 CD2 LEU A 38 2.502 -6.936 5.621 1.00 0.00 C ATOM 0 H LEU A 38 -0.494 -10.385 4.425 1.00 0.00 H new ATOM 0 HA LEU A 38 0.981 -8.025 3.719 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.385 -8.781 6.005 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.420 -10.180 5.801 1.00 0.00 H new ATOM 0 HG LEU A 38 2.313 -8.350 7.229 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.614 -8.400 6.380 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.836 -10.001 6.351 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.020 -9.074 4.844 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.336 -6.393 6.066 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.619 -6.956 4.538 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.567 -6.437 5.876 1.00 0.00 H new ATOM 489 N LEU A 39 2.792 -8.878 2.312 1.00 0.00 N ATOM 490 CA LEU A 39 3.918 -9.319 1.520 1.00 0.00 C ATOM 491 C LEU A 39 5.228 -8.965 2.201 1.00 0.00 C ATOM 492 O LEU A 39 5.993 -9.852 2.589 1.00 0.00 O ATOM 493 CB LEU A 39 3.869 -8.686 0.128 1.00 0.00 C ATOM 494 CG LEU A 39 2.624 -8.989 -0.700 1.00 0.00 C ATOM 495 CD1 LEU A 39 2.702 -8.290 -2.043 1.00 0.00 C ATOM 496 CD2 LEU A 39 2.468 -10.487 -0.887 1.00 0.00 C ATOM 0 H LEU A 39 2.478 -7.928 2.112 1.00 0.00 H new ATOM 0 HA LEU A 39 3.859 -10.403 1.421 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.953 -7.605 0.239 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.743 -9.018 -0.432 1.00 0.00 H new ATOM 0 HG LEU A 39 1.750 -8.615 -0.167 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.807 -8.515 -2.623 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.773 -7.213 -1.889 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.582 -8.638 -2.584 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.576 -10.689 -1.480 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.343 -10.882 -1.403 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.373 -10.967 0.087 1.00 0.00 H new ATOM 508 N MET A 40 5.457 -7.671 2.395 1.00 0.00 N ATOM 509 CA MET A 40 6.687 -7.197 2.978 1.00 0.00 C ATOM 510 C MET A 40 6.524 -5.747 3.420 1.00 0.00 C ATOM 511 O MET A 40 5.657 -5.025 2.906 1.00 0.00 O ATOM 512 CB MET A 40 7.802 -7.277 1.931 1.00 0.00 C ATOM 513 CG MET A 40 9.150 -7.454 2.568 1.00 0.00 C ATOM 514 SD MET A 40 10.523 -7.645 1.413 1.00 0.00 S ATOM 515 CE MET A 40 10.653 -5.990 0.749 1.00 0.00 C ATOM 0 H MET A 40 4.795 -6.934 2.152 1.00 0.00 H new ATOM 0 HA MET A 40 6.938 -7.813 3.841 1.00 0.00 H new ATOM 0 HB2 MET A 40 7.607 -8.109 1.255 1.00 0.00 H new ATOM 0 HB3 MET A 40 7.801 -6.369 1.328 1.00 0.00 H new ATOM 0 HG2 MET A 40 9.349 -6.593 3.206 1.00 0.00 H new ATOM 0 HG3 MET A 40 9.116 -8.330 3.216 1.00 0.00 H new ATOM 0 HE1 MET A 40 10.992 -6.039 -0.286 1.00 0.00 H new ATOM 0 HE2 MET A 40 9.678 -5.504 0.789 1.00 0.00 H new ATOM 0 HE3 MET A 40 11.368 -5.417 1.339 1.00 0.00 H new ATOM 525 N TYR A 41 7.328 -5.351 4.386 1.00 0.00 N ATOM 526 CA TYR A 41 7.375 -3.987 4.882 1.00 0.00 C ATOM 527 C TYR A 41 8.508 -3.237 4.191 1.00 0.00 C ATOM 528 O TYR A 41 9.587 -3.797 3.982 1.00 0.00 O ATOM 529 CB TYR A 41 7.623 -3.970 6.397 1.00 0.00 C ATOM 530 CG TYR A 41 6.525 -4.584 7.240 1.00 0.00 C ATOM 531 CD1 TYR A 41 5.558 -3.788 7.834 1.00 0.00 C ATOM 532 CD2 TYR A 41 6.457 -5.954 7.444 1.00 0.00 C ATOM 533 CE1 TYR A 41 4.556 -4.341 8.604 1.00 0.00 C ATOM 534 CE2 TYR A 41 5.463 -6.514 8.210 1.00 0.00 C ATOM 535 CZ TYR A 41 4.514 -5.705 8.786 1.00 0.00 C ATOM 536 OH TYR A 41 3.518 -6.264 9.544 1.00 0.00 O ATOM 0 H TYR A 41 7.979 -5.978 4.858 1.00 0.00 H new ATOM 0 HA TYR A 41 6.418 -3.509 4.672 1.00 0.00 H new ATOM 0 HB2 TYR A 41 8.554 -4.498 6.602 1.00 0.00 H new ATOM 0 HB3 TYR A 41 7.766 -2.937 6.713 1.00 0.00 H new ATOM 0 HD1 TYR A 41 5.590 -2.718 7.692 1.00 0.00 H new ATOM 0 HD2 TYR A 41 7.200 -6.594 6.992 1.00 0.00 H new ATOM 0 HE1 TYR A 41 3.810 -3.708 9.061 1.00 0.00 H new ATOM 0 HE2 TYR A 41 5.428 -7.583 8.358 1.00 0.00 H new ATOM 0 HH TYR A 41 3.634 -7.237 9.570 1.00 0.00 H new ATOM 546 N VAL A 42 8.250 -2.005 3.818 1.00 0.00 N ATOM 547 CA VAL A 42 9.218 -1.127 3.189 1.00 0.00 C ATOM 548 C VAL A 42 9.259 0.158 3.995 1.00 0.00 C ATOM 549 O VAL A 42 8.246 0.573 4.531 1.00 0.00 O ATOM 550 CB VAL A 42 8.832 -0.812 1.725 1.00 0.00 C ATOM 551 CG1 VAL A 42 9.879 0.067 1.038 1.00 0.00 C ATOM 552 CG2 VAL A 42 8.639 -2.102 0.952 1.00 0.00 C ATOM 0 H VAL A 42 7.336 -1.571 3.946 1.00 0.00 H new ATOM 0 HA VAL A 42 10.193 -1.615 3.169 1.00 0.00 H new ATOM 0 HB VAL A 42 7.895 -0.255 1.739 1.00 0.00 H new ATOM 0 HG11 VAL A 42 9.571 0.265 0.012 1.00 0.00 H new ATOM 0 HG12 VAL A 42 9.973 1.010 1.577 1.00 0.00 H new ATOM 0 HG13 VAL A 42 10.840 -0.447 1.035 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.367 -1.872 -0.078 1.00 0.00 H new ATOM 0 HG22 VAL A 42 9.566 -2.675 0.963 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.845 -2.688 1.414 1.00 0.00 H new ATOM 562 N ARG A 43 10.405 0.763 4.108 1.00 0.00 N ATOM 563 CA ARG A 43 10.559 1.989 4.860 1.00 0.00 C ATOM 564 C ARG A 43 10.399 3.140 3.875 1.00 0.00 C ATOM 565 O ARG A 43 10.937 3.063 2.766 1.00 0.00 O ATOM 566 CB ARG A 43 11.964 2.026 5.465 1.00 0.00 C ATOM 567 CG ARG A 43 12.058 2.685 6.834 1.00 0.00 C ATOM 568 CD ARG A 43 11.317 1.849 7.877 1.00 0.00 C ATOM 569 NE ARG A 43 11.827 0.469 7.925 1.00 0.00 N ATOM 570 CZ ARG A 43 11.087 -0.637 8.088 1.00 0.00 C ATOM 571 NH1 ARG A 43 9.772 -0.554 8.263 1.00 0.00 N ATOM 572 NH2 ARG A 43 11.675 -1.830 8.078 1.00 0.00 N ATOM 0 H ARG A 43 11.267 0.424 3.682 1.00 0.00 H new ATOM 0 HA ARG A 43 9.824 2.060 5.662 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.336 1.005 5.544 1.00 0.00 H new ATOM 0 HB3 ARG A 43 12.625 2.554 4.778 1.00 0.00 H new ATOM 0 HG2 ARG A 43 13.104 2.794 7.122 1.00 0.00 H new ATOM 0 HG3 ARG A 43 11.632 3.688 6.793 1.00 0.00 H new ATOM 0 HD2 ARG A 43 11.424 2.312 8.858 1.00 0.00 H new ATOM 0 HD3 ARG A 43 10.252 1.836 7.645 1.00 0.00 H new ATOM 0 HE ARG A 43 12.834 0.343 7.825 1.00 0.00 H new ATOM 0 HH11 ARG A 43 9.316 0.358 8.274 1.00 0.00 H new ATOM 0 HH12 ARG A 43 9.219 -1.402 8.386 1.00 0.00 H new ATOM 0 HH21 ARG A 43 12.684 -1.900 7.947 1.00 0.00 H new ATOM 0 HH22 ARG A 43 11.117 -2.675 8.202 1.00 0.00 H new ATOM 586 N ILE A 44 9.647 4.169 4.243 1.00 0.00 N ATOM 587 CA ILE A 44 9.466 5.329 3.340 1.00 0.00 C ATOM 588 C ILE A 44 10.813 5.968 3.036 1.00 0.00 C ATOM 589 O ILE A 44 11.525 6.426 3.929 1.00 0.00 O ATOM 590 CB ILE A 44 8.575 6.469 3.895 1.00 0.00 C ATOM 591 CG1 ILE A 44 7.234 5.956 4.386 1.00 0.00 C ATOM 592 CG2 ILE A 44 8.355 7.551 2.824 1.00 0.00 C ATOM 593 CD1 ILE A 44 6.263 5.452 3.368 1.00 0.00 C ATOM 0 H ILE A 44 9.158 4.238 5.135 1.00 0.00 H new ATOM 0 HA ILE A 44 8.973 4.905 2.465 1.00 0.00 H new ATOM 0 HB ILE A 44 9.101 6.900 4.746 1.00 0.00 H new ATOM 0 HG12 ILE A 44 7.423 5.150 5.095 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.750 6.761 4.940 1.00 0.00 H new ATOM 0 HG21 ILE A 44 7.727 8.344 3.231 1.00 0.00 H new ATOM 0 HG22 ILE A 44 9.317 7.968 2.525 1.00 0.00 H new ATOM 0 HG23 ILE A 44 7.865 7.110 1.956 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.353 5.120 3.867 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.022 6.252 2.668 1.00 0.00 H new ATOM 0 HD13 ILE A 44 6.705 4.616 2.826 1.00 0.00 H new ATOM 605 N GLY A 45 11.133 5.992 1.779 1.00 0.00 N ATOM 606 CA GLY A 45 12.336 6.610 1.293 1.00 0.00 C ATOM 607 C GLY A 45 13.265 5.580 0.743 1.00 0.00 C ATOM 608 O GLY A 45 14.174 5.880 -0.030 1.00 0.00 O ATOM 0 H GLY A 45 10.558 5.576 1.046 1.00 0.00 H new ATOM 0 HA2 GLY A 45 12.091 7.338 0.520 1.00 0.00 H new ATOM 0 HA3 GLY A 45 12.824 7.155 2.101 1.00 0.00 H new ATOM 612 N ASN A 46 13.009 4.356 1.110 1.00 0.00 N ATOM 613 CA ASN A 46 13.853 3.259 0.733 1.00 0.00 C ATOM 614 C ASN A 46 13.213 2.486 -0.388 1.00 0.00 C ATOM 615 O ASN A 46 12.010 2.613 -0.663 1.00 0.00 O ATOM 616 CB ASN A 46 14.076 2.372 1.938 1.00 0.00 C ATOM 617 CG ASN A 46 15.103 1.262 1.751 1.00 0.00 C ATOM 618 OD1 ASN A 46 16.066 1.418 0.996 1.00 0.00 O ATOM 619 ND2 ASN A 46 14.925 0.150 2.418 1.00 0.00 N ATOM 0 H ASN A 46 12.206 4.091 1.681 1.00 0.00 H new ATOM 0 HA ASN A 46 14.816 3.632 0.384 1.00 0.00 H new ATOM 0 HB2 ASN A 46 14.389 2.996 2.775 1.00 0.00 H new ATOM 0 HB3 ASN A 46 13.124 1.920 2.216 1.00 0.00 H new ATOM 0 HD21 ASN A 46 15.592 -0.616 2.320 1.00 0.00 H new ATOM 0 HD22 ASN A 46 14.119 0.049 3.035 1.00 0.00 H new ATOM 626 N THR A 47 14.017 1.713 -1.034 1.00 0.00 N ATOM 627 CA THR A 47 13.585 0.881 -2.113 1.00 0.00 C ATOM 628 C THR A 47 13.432 -0.536 -1.626 1.00 0.00 C ATOM 629 O THR A 47 14.065 -0.945 -0.642 1.00 0.00 O ATOM 630 CB THR A 47 14.583 0.890 -3.271 1.00 0.00 C ATOM 631 OG1 THR A 47 15.911 0.697 -2.760 1.00 0.00 O ATOM 632 CG2 THR A 47 14.515 2.172 -4.075 1.00 0.00 C ATOM 0 H THR A 47 15.013 1.637 -0.826 1.00 0.00 H new ATOM 0 HA THR A 47 12.633 1.274 -2.471 1.00 0.00 H new ATOM 0 HB THR A 47 14.321 0.074 -3.944 1.00 0.00 H new ATOM 0 HG1 THR A 47 16.551 0.701 -3.502 1.00 0.00 H new ATOM 0 HG21 THR A 47 15.242 2.132 -4.886 1.00 0.00 H new ATOM 0 HG22 THR A 47 13.514 2.288 -4.490 1.00 0.00 H new ATOM 0 HG23 THR A 47 14.740 3.020 -3.428 1.00 0.00 H new ATOM 640 N ALA A 48 12.599 -1.268 -2.294 1.00 0.00 N ATOM 641 CA ALA A 48 12.399 -2.660 -1.961 1.00 0.00 C ATOM 642 C ALA A 48 12.060 -3.476 -3.180 1.00 0.00 C ATOM 643 O ALA A 48 11.425 -2.995 -4.105 1.00 0.00 O ATOM 644 CB ALA A 48 11.323 -2.822 -0.921 1.00 0.00 C ATOM 0 H ALA A 48 12.040 -0.932 -3.078 1.00 0.00 H new ATOM 0 HA ALA A 48 13.340 -3.028 -1.551 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.195 -3.880 -0.691 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.608 -2.286 -0.016 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.385 -2.418 -1.302 1.00 0.00 H new ATOM 650 N THR A 49 12.502 -4.702 -3.180 1.00 0.00 N ATOM 651 CA THR A 49 12.232 -5.622 -4.252 1.00 0.00 C ATOM 652 C THR A 49 11.236 -6.646 -3.726 1.00 0.00 C ATOM 653 O THR A 49 11.562 -7.425 -2.831 1.00 0.00 O ATOM 654 CB THR A 49 13.542 -6.325 -4.637 1.00 0.00 C ATOM 655 OG1 THR A 49 14.591 -5.340 -4.722 1.00 0.00 O ATOM 656 CG2 THR A 49 13.405 -7.021 -5.979 1.00 0.00 C ATOM 0 H THR A 49 13.067 -5.097 -2.428 1.00 0.00 H new ATOM 0 HA THR A 49 11.830 -5.111 -5.127 1.00 0.00 H new ATOM 0 HB THR A 49 13.778 -7.072 -3.879 1.00 0.00 H new ATOM 0 HG1 THR A 49 15.433 -5.779 -4.966 1.00 0.00 H new ATOM 0 HG21 THR A 49 14.345 -7.512 -6.232 1.00 0.00 H new ATOM 0 HG22 THR A 49 12.610 -7.765 -5.924 1.00 0.00 H new ATOM 0 HG23 THR A 49 13.162 -6.286 -6.747 1.00 0.00 H new ATOM 664 N ILE A 50 10.015 -6.610 -4.214 1.00 0.00 N ATOM 665 CA ILE A 50 9.019 -7.562 -3.758 1.00 0.00 C ATOM 666 C ILE A 50 8.980 -8.689 -4.754 1.00 0.00 C ATOM 667 O ILE A 50 8.532 -8.497 -5.860 1.00 0.00 O ATOM 668 CB ILE A 50 7.586 -6.962 -3.752 1.00 0.00 C ATOM 669 CG1 ILE A 50 7.538 -5.550 -3.159 1.00 0.00 C ATOM 670 CG2 ILE A 50 6.614 -7.886 -3.019 1.00 0.00 C ATOM 671 CD1 ILE A 50 8.047 -5.453 -1.752 1.00 0.00 C ATOM 0 H ILE A 50 9.689 -5.945 -4.915 1.00 0.00 H new ATOM 0 HA ILE A 50 9.291 -7.867 -2.747 1.00 0.00 H new ATOM 0 HB ILE A 50 7.278 -6.878 -4.794 1.00 0.00 H new ATOM 0 HG12 ILE A 50 8.124 -4.883 -3.791 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.509 -5.192 -3.186 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.617 -7.446 -3.027 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.587 -8.855 -3.518 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.944 -8.017 -1.988 1.00 0.00 H new ATOM 0 HD11 ILE A 50 7.977 -4.420 -1.410 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.447 -6.091 -1.103 1.00 0.00 H new ATOM 0 HD13 ILE A 50 9.087 -5.777 -1.718 1.00 0.00 H new ATOM 683 N THR A 51 9.450 -9.836 -4.406 1.00 0.00 N ATOM 684 CA THR A 51 9.299 -10.932 -5.312 1.00 0.00 C ATOM 685 C THR A 51 8.004 -11.642 -4.934 1.00 0.00 C ATOM 686 O THR A 51 7.811 -12.001 -3.768 1.00 0.00 O ATOM 687 CB THR A 51 10.487 -11.889 -5.194 1.00 0.00 C ATOM 688 OG1 THR A 51 11.706 -11.127 -5.226 1.00 0.00 O ATOM 689 CG2 THR A 51 10.491 -12.892 -6.338 1.00 0.00 C ATOM 0 H THR A 51 9.929 -10.042 -3.529 1.00 0.00 H new ATOM 0 HA THR A 51 9.264 -10.582 -6.344 1.00 0.00 H new ATOM 0 HB THR A 51 10.405 -12.436 -4.255 1.00 0.00 H new ATOM 0 HG1 THR A 51 12.473 -11.733 -5.149 1.00 0.00 H new ATOM 0 HG21 THR A 51 11.345 -13.561 -6.232 1.00 0.00 H new ATOM 0 HG22 THR A 51 9.569 -13.473 -6.315 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.562 -12.361 -7.287 1.00 0.00 H new ATOM 697 N ALA A 52 7.120 -11.784 -5.886 1.00 0.00 N ATOM 698 CA ALA A 52 5.866 -12.469 -5.703 1.00 0.00 C ATOM 699 C ALA A 52 5.499 -13.099 -7.026 1.00 0.00 C ATOM 700 O ALA A 52 5.450 -12.407 -8.045 1.00 0.00 O ATOM 701 CB ALA A 52 4.776 -11.505 -5.247 1.00 0.00 C ATOM 0 H ALA A 52 7.253 -11.420 -6.829 1.00 0.00 H new ATOM 0 HA ALA A 52 5.962 -13.229 -4.928 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.840 -12.049 -5.117 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.066 -11.050 -4.300 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.641 -10.726 -5.998 1.00 0.00 H new ATOM 707 N ARG A 53 5.329 -14.415 -7.018 1.00 0.00 N ATOM 708 CA ARG A 53 4.948 -15.215 -8.185 1.00 0.00 C ATOM 709 C ARG A 53 6.056 -15.210 -9.227 1.00 0.00 C ATOM 710 O ARG A 53 5.840 -15.510 -10.406 1.00 0.00 O ATOM 711 CB ARG A 53 3.620 -14.721 -8.772 1.00 0.00 C ATOM 712 CG ARG A 53 2.435 -14.882 -7.841 1.00 0.00 C ATOM 713 CD ARG A 53 1.226 -14.135 -8.372 1.00 0.00 C ATOM 714 NE ARG A 53 0.024 -14.370 -7.570 1.00 0.00 N ATOM 715 CZ ARG A 53 -0.470 -13.554 -6.633 1.00 0.00 C ATOM 716 NH1 ARG A 53 0.239 -12.526 -6.196 1.00 0.00 N ATOM 717 NH2 ARG A 53 -1.653 -13.803 -6.099 1.00 0.00 N ATOM 0 H ARG A 53 5.455 -14.976 -6.176 1.00 0.00 H new ATOM 0 HA ARG A 53 4.803 -16.246 -7.864 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.721 -13.668 -9.036 1.00 0.00 H new ATOM 0 HB3 ARG A 53 3.419 -15.263 -9.696 1.00 0.00 H new ATOM 0 HG2 ARG A 53 2.195 -15.939 -7.731 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.692 -14.508 -6.850 1.00 0.00 H new ATOM 0 HD2 ARG A 53 1.443 -13.067 -8.391 1.00 0.00 H new ATOM 0 HD3 ARG A 53 1.037 -14.441 -9.401 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.484 -15.237 -7.742 1.00 0.00 H new ATOM 0 HH11 ARG A 53 1.170 -12.351 -6.574 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.145 -11.908 -5.481 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.188 -14.617 -6.402 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -2.031 -13.181 -5.384 1.00 0.00 H new ATOM 731 N GLY A 54 7.252 -14.935 -8.762 1.00 0.00 N ATOM 732 CA GLY A 54 8.405 -14.851 -9.630 1.00 0.00 C ATOM 733 C GLY A 54 8.537 -13.488 -10.283 1.00 0.00 C ATOM 734 O GLY A 54 9.342 -13.300 -11.199 1.00 0.00 O ATOM 0 H GLY A 54 7.454 -14.764 -7.777 1.00 0.00 H new ATOM 0 HA2 GLY A 54 9.306 -15.065 -9.055 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.331 -15.616 -10.403 1.00 0.00 H new ATOM 738 N HIS A 55 7.731 -12.539 -9.847 1.00 0.00 N ATOM 739 CA HIS A 55 7.799 -11.187 -10.365 1.00 0.00 C ATOM 740 C HIS A 55 8.377 -10.316 -9.277 1.00 0.00 C ATOM 741 O HIS A 55 7.939 -10.400 -8.132 1.00 0.00 O ATOM 742 CB HIS A 55 6.413 -10.622 -10.723 1.00 0.00 C ATOM 743 CG HIS A 55 5.563 -11.461 -11.633 1.00 0.00 C ATOM 744 ND1 HIS A 55 5.785 -11.631 -12.979 1.00 0.00 N ATOM 745 CD2 HIS A 55 4.445 -12.168 -11.353 1.00 0.00 C ATOM 746 CE1 HIS A 55 4.817 -12.410 -13.466 1.00 0.00 C ATOM 747 NE2 HIS A 55 3.971 -12.768 -12.516 1.00 0.00 N ATOM 0 H HIS A 55 7.018 -12.681 -9.132 1.00 0.00 H new ATOM 0 HA HIS A 55 8.404 -11.199 -11.272 1.00 0.00 H new ATOM 0 HB2 HIS A 55 5.862 -10.457 -9.797 1.00 0.00 H new ATOM 0 HB3 HIS A 55 6.552 -9.647 -11.189 1.00 0.00 H new ATOM 0 HD2 HIS A 55 3.990 -12.254 -10.377 1.00 0.00 H new ATOM 0 HE1 HIS A 55 4.736 -12.709 -14.501 1.00 0.00 H new ATOM 0 HE2 HIS A 55 3.145 -13.359 -12.614 1.00 0.00 H new ATOM 755 N GLU A 56 9.363 -9.518 -9.603 1.00 0.00 N ATOM 756 CA GLU A 56 9.915 -8.602 -8.648 1.00 0.00 C ATOM 757 C GLU A 56 9.306 -7.239 -8.866 1.00 0.00 C ATOM 758 O GLU A 56 9.490 -6.627 -9.928 1.00 0.00 O ATOM 759 CB GLU A 56 11.429 -8.448 -8.759 1.00 0.00 C ATOM 760 CG GLU A 56 12.244 -9.685 -8.470 1.00 0.00 C ATOM 761 CD GLU A 56 12.194 -10.705 -9.574 1.00 0.00 C ATOM 762 OE1 GLU A 56 12.577 -10.385 -10.730 1.00 0.00 O ATOM 763 OE2 GLU A 56 11.828 -11.852 -9.315 1.00 0.00 O ATOM 0 H GLU A 56 9.798 -9.487 -10.525 1.00 0.00 H new ATOM 0 HA GLU A 56 9.688 -9.010 -7.663 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.667 -8.108 -9.767 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.745 -7.661 -8.074 1.00 0.00 H new ATOM 0 HG2 GLU A 56 13.281 -9.396 -8.299 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.884 -10.141 -7.548 1.00 0.00 H new ATOM 770 N PHE A 57 8.601 -6.758 -7.886 1.00 0.00 N ATOM 771 CA PHE A 57 8.056 -5.456 -7.950 1.00 0.00 C ATOM 772 C PHE A 57 9.033 -4.632 -7.174 1.00 0.00 C ATOM 773 O PHE A 57 9.056 -4.670 -5.944 1.00 0.00 O ATOM 774 CB PHE A 57 6.668 -5.404 -7.311 1.00 0.00 C ATOM 775 CG PHE A 57 5.676 -6.340 -7.940 1.00 0.00 C ATOM 776 CD1 PHE A 57 5.321 -7.524 -7.311 1.00 0.00 C ATOM 777 CD2 PHE A 57 5.094 -6.034 -9.161 1.00 0.00 C ATOM 778 CE1 PHE A 57 4.406 -8.382 -7.885 1.00 0.00 C ATOM 779 CE2 PHE A 57 4.180 -6.890 -9.741 1.00 0.00 C ATOM 780 CZ PHE A 57 3.834 -8.065 -9.100 1.00 0.00 C ATOM 0 H PHE A 57 8.394 -7.265 -7.025 1.00 0.00 H new ATOM 0 HA PHE A 57 7.919 -5.106 -8.973 1.00 0.00 H new ATOM 0 HB2 PHE A 57 6.757 -5.642 -6.251 1.00 0.00 H new ATOM 0 HB3 PHE A 57 6.285 -4.386 -7.378 1.00 0.00 H new ATOM 0 HD1 PHE A 57 5.766 -7.777 -6.360 1.00 0.00 H new ATOM 0 HD2 PHE A 57 5.359 -5.116 -9.664 1.00 0.00 H new ATOM 0 HE1 PHE A 57 4.138 -9.300 -7.384 1.00 0.00 H new ATOM 0 HE2 PHE A 57 3.736 -6.642 -10.694 1.00 0.00 H new ATOM 0 HZ PHE A 57 3.116 -8.735 -9.550 1.00 0.00 H new ATOM 790 N GLU A 58 9.913 -3.980 -7.873 1.00 0.00 N ATOM 791 CA GLU A 58 10.903 -3.210 -7.190 1.00 0.00 C ATOM 792 C GLU A 58 10.337 -1.823 -7.077 1.00 0.00 C ATOM 793 O GLU A 58 10.156 -1.120 -8.075 1.00 0.00 O ATOM 794 CB GLU A 58 12.231 -3.251 -7.928 1.00 0.00 C ATOM 795 CG GLU A 58 13.409 -2.782 -7.119 1.00 0.00 C ATOM 796 CD GLU A 58 14.683 -2.814 -7.920 1.00 0.00 C ATOM 797 OE1 GLU A 58 15.184 -1.754 -8.295 1.00 0.00 O ATOM 798 OE2 GLU A 58 15.184 -3.909 -8.245 1.00 0.00 O ATOM 0 H GLU A 58 9.965 -3.965 -8.892 1.00 0.00 H new ATOM 0 HA GLU A 58 11.122 -3.608 -6.199 1.00 0.00 H new ATOM 0 HB2 GLU A 58 12.417 -4.273 -8.259 1.00 0.00 H new ATOM 0 HB3 GLU A 58 12.153 -2.635 -8.824 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.227 -1.767 -6.766 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.518 -3.412 -6.236 1.00 0.00 H new ATOM 805 N VAL A 59 10.015 -1.475 -5.874 1.00 0.00 N ATOM 806 CA VAL A 59 9.361 -0.242 -5.546 1.00 0.00 C ATOM 807 C VAL A 59 10.310 0.660 -4.824 1.00 0.00 C ATOM 808 O VAL A 59 11.401 0.256 -4.400 1.00 0.00 O ATOM 809 CB VAL A 59 8.153 -0.471 -4.594 1.00 0.00 C ATOM 810 CG1 VAL A 59 7.077 -1.333 -5.210 1.00 0.00 C ATOM 811 CG2 VAL A 59 8.602 -1.083 -3.289 1.00 0.00 C ATOM 0 H VAL A 59 10.205 -2.060 -5.060 1.00 0.00 H new ATOM 0 HA VAL A 59 9.021 0.196 -6.485 1.00 0.00 H new ATOM 0 HB VAL A 59 7.723 0.514 -4.409 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.260 -1.458 -4.500 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.701 -0.855 -6.115 1.00 0.00 H new ATOM 0 HG13 VAL A 59 7.492 -2.309 -5.461 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.738 -1.233 -2.641 1.00 0.00 H new ATOM 0 HG22 VAL A 59 9.081 -2.043 -3.483 1.00 0.00 H new ATOM 0 HG23 VAL A 59 9.311 -0.416 -2.799 1.00 0.00 H new ATOM 821 N GLU A 60 9.885 1.869 -4.711 1.00 0.00 N ATOM 822 CA GLU A 60 10.521 2.827 -3.882 1.00 0.00 C ATOM 823 C GLU A 60 9.386 3.429 -3.122 1.00 0.00 C ATOM 824 O GLU A 60 8.406 3.871 -3.736 1.00 0.00 O ATOM 825 CB GLU A 60 11.254 3.913 -4.665 1.00 0.00 C ATOM 826 CG GLU A 60 12.044 4.858 -3.764 1.00 0.00 C ATOM 827 CD GLU A 60 12.706 5.974 -4.520 1.00 0.00 C ATOM 828 OE1 GLU A 60 12.416 7.152 -4.255 1.00 0.00 O ATOM 829 OE2 GLU A 60 13.505 5.712 -5.430 1.00 0.00 O ATOM 0 H GLU A 60 9.067 2.226 -5.204 1.00 0.00 H new ATOM 0 HA GLU A 60 11.289 2.365 -3.262 1.00 0.00 H new ATOM 0 HB2 GLU A 60 11.933 3.445 -5.378 1.00 0.00 H new ATOM 0 HB3 GLU A 60 10.531 4.489 -5.243 1.00 0.00 H new ATOM 0 HG2 GLU A 60 11.375 5.281 -3.015 1.00 0.00 H new ATOM 0 HG3 GLU A 60 12.804 4.289 -3.228 1.00 0.00 H new ATOM 836 N ALA A 61 9.459 3.391 -1.821 1.00 0.00 N ATOM 837 CA ALA A 61 8.416 4.006 -1.032 1.00 0.00 C ATOM 838 C ALA A 61 8.656 5.508 -1.069 1.00 0.00 C ATOM 839 O ALA A 61 9.420 6.051 -0.290 1.00 0.00 O ATOM 840 CB ALA A 61 8.406 3.467 0.388 1.00 0.00 C ATOM 0 H ALA A 61 10.210 2.952 -1.289 1.00 0.00 H new ATOM 0 HA ALA A 61 7.433 3.773 -1.442 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.610 3.950 0.955 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.235 2.391 0.367 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.366 3.673 0.862 1.00 0.00 H new ATOM 846 N LYS A 62 8.058 6.127 -2.067 1.00 0.00 N ATOM 847 CA LYS A 62 8.232 7.536 -2.370 1.00 0.00 C ATOM 848 C LYS A 62 7.622 8.409 -1.290 1.00 0.00 C ATOM 849 O LYS A 62 8.279 9.260 -0.695 1.00 0.00 O ATOM 850 CB LYS A 62 7.520 7.871 -3.688 1.00 0.00 C ATOM 851 CG LYS A 62 7.819 6.960 -4.873 1.00 0.00 C ATOM 852 CD LYS A 62 9.269 6.995 -5.334 1.00 0.00 C ATOM 853 CE LYS A 62 9.700 8.356 -5.863 1.00 0.00 C ATOM 854 NZ LYS A 62 11.120 8.335 -6.289 1.00 0.00 N ATOM 0 H LYS A 62 7.421 5.653 -2.707 1.00 0.00 H new ATOM 0 HA LYS A 62 9.303 7.728 -2.437 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.445 7.856 -3.509 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.782 8.891 -3.968 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.559 5.936 -4.605 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.177 7.244 -5.707 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.915 6.715 -4.501 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.413 6.247 -6.114 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.068 8.640 -6.705 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.560 9.112 -5.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.385 9.269 -6.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.723 8.103 -5.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 11.249 7.618 -7.031 1.00 0.00 H new ATOM 868 N ASP A 63 6.362 8.170 -1.034 1.00 0.00 N ATOM 869 CA ASP A 63 5.594 8.992 -0.137 1.00 0.00 C ATOM 870 C ASP A 63 4.775 8.107 0.773 1.00 0.00 C ATOM 871 O ASP A 63 4.520 6.947 0.436 1.00 0.00 O ATOM 872 CB ASP A 63 4.703 9.951 -0.937 1.00 0.00 C ATOM 873 CG ASP A 63 3.799 10.762 -0.054 1.00 0.00 C ATOM 874 OD1 ASP A 63 2.584 10.532 -0.070 1.00 0.00 O ATOM 875 OD2 ASP A 63 4.295 11.579 0.744 1.00 0.00 O ATOM 0 H ASP A 63 5.838 7.397 -1.444 1.00 0.00 H new ATOM 0 HA ASP A 63 6.262 9.595 0.478 1.00 0.00 H new ATOM 0 HB2 ASP A 63 5.331 10.622 -1.524 1.00 0.00 H new ATOM 0 HB3 ASP A 63 4.100 9.379 -1.643 1.00 0.00 H new ATOM 880 N GLN A 64 4.321 8.660 1.884 1.00 0.00 N ATOM 881 CA GLN A 64 3.643 7.903 2.913 1.00 0.00 C ATOM 882 C GLN A 64 2.186 7.604 2.577 1.00 0.00 C ATOM 883 O GLN A 64 1.457 7.021 3.388 1.00 0.00 O ATOM 884 CB GLN A 64 3.810 8.569 4.272 1.00 0.00 C ATOM 885 CG GLN A 64 5.258 8.955 4.528 1.00 0.00 C ATOM 886 CD GLN A 64 5.622 9.041 5.988 1.00 0.00 C ATOM 887 OE1 GLN A 64 5.080 8.318 6.815 1.00 0.00 O ATOM 888 NE2 GLN A 64 6.558 9.896 6.318 1.00 0.00 N ATOM 0 H GLN A 64 4.415 9.653 2.096 1.00 0.00 H new ATOM 0 HA GLN A 64 4.124 6.926 2.963 1.00 0.00 H new ATOM 0 HB2 GLN A 64 3.181 9.458 4.323 1.00 0.00 H new ATOM 0 HB3 GLN A 64 3.469 7.892 5.055 1.00 0.00 H new ATOM 0 HG2 GLN A 64 5.908 8.226 4.045 1.00 0.00 H new ATOM 0 HG3 GLN A 64 5.455 9.919 4.058 1.00 0.00 H new ATOM 0 HE21 GLN A 64 6.988 10.483 5.603 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.857 9.975 7.290 1.00 0.00 H new ATOM 897 N ASN A 65 1.751 8.007 1.385 1.00 0.00 N ATOM 898 CA ASN A 65 0.445 7.585 0.885 1.00 0.00 C ATOM 899 C ASN A 65 0.536 6.126 0.489 1.00 0.00 C ATOM 900 O ASN A 65 -0.459 5.404 0.471 1.00 0.00 O ATOM 901 CB ASN A 65 -0.059 8.430 -0.295 1.00 0.00 C ATOM 902 CG ASN A 65 -0.643 9.768 0.117 1.00 0.00 C ATOM 903 OD1 ASN A 65 -0.249 10.372 1.116 1.00 0.00 O ATOM 904 ND2 ASN A 65 -1.611 10.240 -0.634 1.00 0.00 N ATOM 0 H ASN A 65 2.274 8.616 0.756 1.00 0.00 H new ATOM 0 HA ASN A 65 -0.283 7.730 1.684 1.00 0.00 H new ATOM 0 HB2 ASN A 65 0.766 8.601 -0.986 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -0.817 7.865 -0.837 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -2.055 11.127 -0.396 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.919 9.720 -1.456 1.00 0.00 H new ATOM 911 N CYS A 66 1.763 5.708 0.196 1.00 0.00 N ATOM 912 CA CYS A 66 2.101 4.334 -0.133 1.00 0.00 C ATOM 913 C CYS A 66 1.481 3.819 -1.413 1.00 0.00 C ATOM 914 O CYS A 66 1.137 2.648 -1.537 1.00 0.00 O ATOM 915 CB CYS A 66 1.867 3.413 1.052 1.00 0.00 C ATOM 916 SG CYS A 66 3.033 3.733 2.409 1.00 0.00 S ATOM 0 H CYS A 66 2.568 6.334 0.181 1.00 0.00 H new ATOM 0 HA CYS A 66 3.170 4.335 -0.348 1.00 0.00 H new ATOM 0 HB2 CYS A 66 0.847 3.541 1.414 1.00 0.00 H new ATOM 0 HB3 CYS A 66 1.963 2.376 0.729 1.00 0.00 H new ATOM 921 N LYS A 67 1.363 4.701 -2.379 1.00 0.00 N ATOM 922 CA LYS A 67 0.976 4.324 -3.694 1.00 0.00 C ATOM 923 C LYS A 67 2.098 3.437 -4.214 1.00 0.00 C ATOM 924 O LYS A 67 3.279 3.761 -4.034 1.00 0.00 O ATOM 925 CB LYS A 67 0.898 5.567 -4.563 1.00 0.00 C ATOM 926 CG LYS A 67 0.067 5.436 -5.826 1.00 0.00 C ATOM 927 CD LYS A 67 -1.416 5.417 -5.493 1.00 0.00 C ATOM 928 CE LYS A 67 -2.012 4.018 -5.409 1.00 0.00 C ATOM 929 NZ LYS A 67 -3.467 4.043 -5.112 1.00 0.00 N ATOM 0 H LYS A 67 1.536 5.699 -2.262 1.00 0.00 H new ATOM 0 HA LYS A 67 0.010 3.819 -3.705 1.00 0.00 H new ATOM 0 HB2 LYS A 67 0.490 6.381 -3.964 1.00 0.00 H new ATOM 0 HB3 LYS A 67 1.911 5.855 -4.845 1.00 0.00 H new ATOM 0 HG2 LYS A 67 0.283 6.267 -6.498 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.338 4.521 -6.353 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -1.571 5.925 -4.541 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -1.956 5.986 -6.250 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -1.845 3.497 -6.352 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -1.495 3.451 -4.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -3.828 3.069 -5.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -3.627 4.517 -4.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -3.966 4.561 -5.863 1.00 0.00 H new ATOM 943 N VAL A 68 1.745 2.329 -4.802 1.00 0.00 N ATOM 944 CA VAL A 68 2.749 1.424 -5.314 1.00 0.00 C ATOM 945 C VAL A 68 3.404 2.001 -6.565 1.00 0.00 C ATOM 946 O VAL A 68 2.854 1.983 -7.669 1.00 0.00 O ATOM 947 CB VAL A 68 2.250 -0.037 -5.502 1.00 0.00 C ATOM 948 CG1 VAL A 68 1.005 -0.120 -6.380 1.00 0.00 C ATOM 949 CG2 VAL A 68 3.367 -0.914 -6.059 1.00 0.00 C ATOM 0 H VAL A 68 0.780 2.028 -4.941 1.00 0.00 H new ATOM 0 HA VAL A 68 3.517 1.339 -4.545 1.00 0.00 H new ATOM 0 HB VAL A 68 1.965 -0.409 -4.518 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.698 -1.161 -6.479 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.199 0.454 -5.923 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.227 0.288 -7.366 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.001 -1.933 -6.185 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.690 -0.523 -7.024 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.209 -0.914 -5.367 1.00 0.00 H new ATOM 959 N ILE A 69 4.565 2.566 -6.358 1.00 0.00 N ATOM 960 CA ILE A 69 5.313 3.168 -7.418 1.00 0.00 C ATOM 961 C ILE A 69 6.571 2.374 -7.567 1.00 0.00 C ATOM 962 O ILE A 69 7.372 2.243 -6.629 1.00 0.00 O ATOM 963 CB ILE A 69 5.617 4.659 -7.127 1.00 0.00 C ATOM 964 CG1 ILE A 69 4.294 5.427 -7.054 1.00 0.00 C ATOM 965 CG2 ILE A 69 6.531 5.253 -8.198 1.00 0.00 C ATOM 966 CD1 ILE A 69 4.408 6.868 -6.598 1.00 0.00 C ATOM 0 H ILE A 69 5.015 2.619 -5.444 1.00 0.00 H new ATOM 0 HA ILE A 69 4.738 3.156 -8.344 1.00 0.00 H new ATOM 0 HB ILE A 69 6.140 4.741 -6.174 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.828 5.410 -8.039 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.623 4.900 -6.375 1.00 0.00 H new ATOM 0 HG21 ILE A 69 6.728 6.300 -7.968 1.00 0.00 H new ATOM 0 HG22 ILE A 69 7.472 4.703 -8.219 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.046 5.180 -9.171 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.418 7.323 -6.580 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.840 6.900 -5.598 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.048 7.418 -7.288 1.00 0.00 H new ATOM 978 N LEU A 70 6.721 1.813 -8.728 1.00 0.00 N ATOM 979 CA LEU A 70 7.851 1.005 -9.002 1.00 0.00 C ATOM 980 C LEU A 70 8.990 1.861 -9.361 1.00 0.00 C ATOM 981 O LEU A 70 8.874 2.798 -10.146 1.00 0.00 O ATOM 982 CB LEU A 70 7.628 -0.010 -10.103 1.00 0.00 C ATOM 983 CG LEU A 70 6.616 -1.107 -9.833 1.00 0.00 C ATOM 984 CD1 LEU A 70 6.918 -1.880 -8.577 1.00 0.00 C ATOM 985 CD2 LEU A 70 5.207 -0.586 -9.848 1.00 0.00 C ATOM 0 H LEU A 70 6.064 1.906 -9.502 1.00 0.00 H new ATOM 0 HA LEU A 70 8.050 0.440 -8.091 1.00 0.00 H new ATOM 0 HB2 LEU A 70 7.316 0.526 -11.000 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.585 -0.480 -10.329 1.00 0.00 H new ATOM 0 HG LEU A 70 6.705 -1.816 -10.656 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.162 -2.652 -8.434 1.00 0.00 H new ATOM 0 HD12 LEU A 70 7.900 -2.346 -8.664 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.912 -1.203 -7.723 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.514 -1.404 -9.650 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.094 0.179 -9.080 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.989 -0.154 -10.825 1.00 0.00 H new ATOM 997 N THR A 71 10.102 1.454 -8.878 1.00 0.00 N ATOM 998 CA THR A 71 11.305 2.233 -9.055 1.00 0.00 C ATOM 999 C THR A 71 11.913 1.921 -10.426 1.00 0.00 C ATOM 1000 O THR A 71 12.896 2.527 -10.858 1.00 0.00 O ATOM 1001 CB THR A 71 12.307 2.064 -7.875 1.00 0.00 C ATOM 1002 OG1 THR A 71 13.360 3.030 -7.965 1.00 0.00 O ATOM 1003 CG2 THR A 71 12.912 0.683 -7.835 1.00 0.00 C ATOM 0 H THR A 71 10.223 0.587 -8.354 1.00 0.00 H new ATOM 0 HA THR A 71 11.047 3.292 -9.037 1.00 0.00 H new ATOM 0 HB THR A 71 11.738 2.217 -6.958 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.527 3.245 -8.906 1.00 0.00 H new ATOM 0 HG21 THR A 71 13.604 0.613 -6.996 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.121 -0.057 -7.716 1.00 0.00 H new ATOM 0 HG23 THR A 71 13.449 0.494 -8.765 1.00 0.00 H new ATOM 1011 N ASN A 72 11.273 0.989 -11.122 1.00 0.00 N ATOM 1012 CA ASN A 72 11.683 0.615 -12.466 1.00 0.00 C ATOM 1013 C ASN A 72 10.952 1.480 -13.487 1.00 0.00 C ATOM 1014 O ASN A 72 11.281 1.463 -14.666 1.00 0.00 O ATOM 1015 CB ASN A 72 11.416 -0.868 -12.798 1.00 0.00 C ATOM 1016 CG ASN A 72 12.121 -1.877 -11.908 1.00 0.00 C ATOM 1017 OD1 ASN A 72 11.398 -2.472 -10.990 1.00 0.00 O flip ATOM 1018 ND2 ASN A 72 13.297 -2.197 -12.102 1.00 0.00 N flip ATOM 0 H ASN A 72 10.463 0.477 -10.773 1.00 0.00 H new ATOM 0 HA ASN A 72 12.761 0.773 -12.512 1.00 0.00 H new ATOM 0 HB2 ASN A 72 10.342 -1.047 -12.740 1.00 0.00 H new ATOM 0 HB3 ASN A 72 11.714 -1.050 -13.830 1.00 0.00 H new ATOM 0 HD21 ASN A 72 13.843 -1.722 -12.821 1.00 0.00 H new ATOM 0 HD22 ASN A 72 13.723 -2.936 -11.543 1.00 0.00 H new ATOM 1025 N GLY A 73 9.938 2.214 -13.036 1.00 0.00 N ATOM 1026 CA GLY A 73 9.175 3.058 -13.943 1.00 0.00 C ATOM 1027 C GLY A 73 7.991 2.303 -14.481 1.00 0.00 C ATOM 1028 O GLY A 73 7.543 2.510 -15.612 1.00 0.00 O ATOM 0 H GLY A 73 9.631 2.240 -12.064 1.00 0.00 H new ATOM 0 HA2 GLY A 73 8.838 3.954 -13.421 1.00 0.00 H new ATOM 0 HA3 GLY A 73 9.810 3.388 -14.765 1.00 0.00 H new ATOM 1032 N LYS A 74 7.502 1.413 -13.654 1.00 0.00 N ATOM 1033 CA LYS A 74 6.411 0.543 -13.984 1.00 0.00 C ATOM 1034 C LYS A 74 5.196 0.927 -13.171 1.00 0.00 C ATOM 1035 O LYS A 74 5.288 1.714 -12.219 1.00 0.00 O ATOM 1036 CB LYS A 74 6.797 -0.875 -13.576 1.00 0.00 C ATOM 1037 CG LYS A 74 8.106 -1.386 -14.147 1.00 0.00 C ATOM 1038 CD LYS A 74 8.001 -1.797 -15.600 1.00 0.00 C ATOM 1039 CE LYS A 74 9.310 -2.399 -16.082 1.00 0.00 C ATOM 1040 NZ LYS A 74 9.230 -2.873 -17.480 1.00 0.00 N ATOM 0 H LYS A 74 7.863 1.273 -12.710 1.00 0.00 H new ATOM 0 HA LYS A 74 6.195 0.614 -15.050 1.00 0.00 H new ATOM 0 HB2 LYS A 74 6.854 -0.919 -12.488 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.999 -1.552 -13.881 1.00 0.00 H new ATOM 0 HG2 LYS A 74 8.865 -0.610 -14.049 1.00 0.00 H new ATOM 0 HG3 LYS A 74 8.444 -2.239 -13.558 1.00 0.00 H new ATOM 0 HD2 LYS A 74 7.195 -2.521 -15.721 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.746 -0.931 -16.211 1.00 0.00 H new ATOM 0 HE2 LYS A 74 10.102 -1.655 -15.998 1.00 0.00 H new ATOM 0 HE3 LYS A 74 9.585 -3.231 -15.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 10.146 -3.275 -17.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 8.493 -3.603 -17.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 8.994 -2.075 -18.104 1.00 0.00 H new ATOM 1054 N GLN A 75 4.078 0.404 -13.577 1.00 0.00 N ATOM 1055 CA GLN A 75 2.858 0.470 -12.815 1.00 0.00 C ATOM 1056 C GLN A 75 2.582 -0.959 -12.392 1.00 0.00 C ATOM 1057 O GLN A 75 2.759 -1.879 -13.195 1.00 0.00 O ATOM 1058 CB GLN A 75 1.690 0.973 -13.648 1.00 0.00 C ATOM 1059 CG GLN A 75 0.446 1.240 -12.808 1.00 0.00 C ATOM 1060 CD GLN A 75 -0.770 1.588 -13.628 1.00 0.00 C ATOM 1061 OE1 GLN A 75 -1.535 0.709 -14.018 1.00 0.00 O ATOM 1062 NE2 GLN A 75 -0.977 2.858 -13.872 1.00 0.00 N ATOM 0 H GLN A 75 3.982 -0.091 -14.464 1.00 0.00 H new ATOM 0 HA GLN A 75 2.966 1.160 -11.978 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.982 1.890 -14.161 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.454 0.238 -14.418 1.00 0.00 H new ATOM 0 HG2 GLN A 75 0.228 0.358 -12.206 1.00 0.00 H new ATOM 0 HG3 GLN A 75 0.653 2.056 -12.116 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -0.317 3.557 -13.530 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -1.798 3.148 -14.404 1.00 0.00 H new ATOM 1071 N ALA A 76 2.186 -1.159 -11.163 1.00 0.00 N ATOM 1072 CA ALA A 76 1.944 -2.493 -10.657 1.00 0.00 C ATOM 1073 C ALA A 76 0.470 -2.849 -10.814 1.00 0.00 C ATOM 1074 O ALA A 76 -0.354 -1.965 -11.088 1.00 0.00 O ATOM 1075 CB ALA A 76 2.351 -2.565 -9.193 1.00 0.00 C ATOM 0 H ALA A 76 2.022 -0.413 -10.487 1.00 0.00 H new ATOM 0 HA ALA A 76 2.538 -3.208 -11.226 1.00 0.00 H new ATOM 0 HB1 ALA A 76 2.168 -3.570 -8.814 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.411 -2.329 -9.098 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.766 -1.848 -8.617 1.00 0.00 H new ATOM 1081 N PRO A 77 0.135 -4.156 -10.717 1.00 0.00 N ATOM 1082 CA PRO A 77 -1.247 -4.641 -10.728 1.00 0.00 C ATOM 1083 C PRO A 77 -2.115 -3.935 -9.694 1.00 0.00 C ATOM 1084 O PRO A 77 -1.644 -3.522 -8.632 1.00 0.00 O ATOM 1085 CB PRO A 77 -1.117 -6.117 -10.363 1.00 0.00 C ATOM 1086 CG PRO A 77 0.287 -6.310 -9.914 1.00 0.00 C ATOM 1087 CD PRO A 77 1.077 -5.283 -10.638 1.00 0.00 C ATOM 0 HA PRO A 77 -1.725 -4.461 -11.691 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -1.819 -6.386 -9.574 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -1.343 -6.751 -11.220 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.375 -6.185 -8.835 1.00 0.00 H new ATOM 0 HG3 PRO A 77 0.640 -7.314 -10.148 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.986 -5.015 -10.099 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.382 -5.627 -11.626 1.00 0.00 H new ATOM 1095 N ASP A 78 -3.386 -3.869 -9.999 1.00 0.00 N ATOM 1096 CA ASP A 78 -4.388 -3.147 -9.224 1.00 0.00 C ATOM 1097 C ASP A 78 -4.667 -3.836 -7.876 1.00 0.00 C ATOM 1098 O ASP A 78 -5.281 -3.263 -6.976 1.00 0.00 O ATOM 1099 CB ASP A 78 -5.640 -3.038 -10.104 1.00 0.00 C ATOM 1100 CG ASP A 78 -6.682 -2.036 -9.655 1.00 0.00 C ATOM 1101 OD1 ASP A 78 -6.319 -0.916 -9.237 1.00 0.00 O ATOM 1102 OD2 ASP A 78 -7.896 -2.296 -9.834 1.00 0.00 O ATOM 0 H ASP A 78 -3.775 -4.330 -10.822 1.00 0.00 H new ATOM 0 HA ASP A 78 -4.033 -2.150 -8.962 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -5.327 -2.779 -11.115 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -6.109 -4.021 -10.157 1.00 0.00 H new ATOM 1107 N TRP A 79 -4.181 -5.072 -7.740 1.00 0.00 N ATOM 1108 CA TRP A 79 -4.310 -5.840 -6.507 1.00 0.00 C ATOM 1109 C TRP A 79 -3.107 -5.628 -5.592 1.00 0.00 C ATOM 1110 O TRP A 79 -3.082 -6.095 -4.458 1.00 0.00 O ATOM 1111 CB TRP A 79 -4.482 -7.344 -6.799 1.00 0.00 C ATOM 1112 CG TRP A 79 -3.411 -7.995 -7.640 1.00 0.00 C ATOM 1113 CD1 TRP A 79 -3.517 -8.267 -8.963 1.00 0.00 C ATOM 1114 CD2 TRP A 79 -2.093 -8.453 -7.243 1.00 0.00 C ATOM 1115 NE1 TRP A 79 -2.384 -8.883 -9.422 1.00 0.00 N ATOM 1116 CE2 TRP A 79 -1.490 -8.997 -8.396 1.00 0.00 C ATOM 1117 CE3 TRP A 79 -1.358 -8.464 -6.044 1.00 0.00 C ATOM 1118 CZ2 TRP A 79 -0.206 -9.536 -8.392 1.00 0.00 C ATOM 1119 CZ3 TRP A 79 -0.082 -8.995 -6.052 1.00 0.00 C ATOM 1120 CH2 TRP A 79 0.480 -9.520 -7.216 1.00 0.00 C ATOM 0 H TRP A 79 -3.687 -5.566 -8.484 1.00 0.00 H new ATOM 0 HA TRP A 79 -5.204 -5.478 -5.999 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -4.536 -7.872 -5.847 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -5.441 -7.487 -7.297 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -4.377 -8.030 -9.572 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -2.232 -9.205 -10.378 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -1.782 -8.065 -5.135 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 0.230 -9.951 -9.289 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 0.492 -9.004 -5.137 1.00 0.00 H new ATOM 0 HH2 TRP A 79 1.482 -9.923 -7.184 1.00 0.00 H new ATOM 1131 N LEU A 80 -2.098 -4.962 -6.092 1.00 0.00 N ATOM 1132 CA LEU A 80 -0.913 -4.733 -5.313 1.00 0.00 C ATOM 1133 C LEU A 80 -1.103 -3.438 -4.534 1.00 0.00 C ATOM 1134 O LEU A 80 -1.187 -2.353 -5.112 1.00 0.00 O ATOM 1135 CB LEU A 80 0.327 -4.680 -6.215 1.00 0.00 C ATOM 1136 CG LEU A 80 1.670 -4.652 -5.482 1.00 0.00 C ATOM 1137 CD1 LEU A 80 1.844 -5.893 -4.643 1.00 0.00 C ATOM 1138 CD2 LEU A 80 2.829 -4.557 -6.445 1.00 0.00 C ATOM 0 H LEU A 80 -2.075 -4.570 -7.033 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.753 -5.553 -4.613 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.311 -5.546 -6.877 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.258 -3.794 -6.847 1.00 0.00 H new ATOM 0 HG LEU A 80 1.664 -3.767 -4.845 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.805 -5.854 -4.130 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.042 -5.950 -3.907 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.811 -6.774 -5.285 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.765 -4.540 -5.887 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.820 -5.419 -7.112 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.740 -3.643 -7.033 1.00 0.00 H new ATOM 1150 N ALA A 81 -1.221 -3.559 -3.239 1.00 0.00 N ATOM 1151 CA ALA A 81 -1.461 -2.421 -2.383 1.00 0.00 C ATOM 1152 C ALA A 81 -0.329 -2.211 -1.427 1.00 0.00 C ATOM 1153 O ALA A 81 0.507 -3.083 -1.217 1.00 0.00 O ATOM 1154 CB ALA A 81 -2.740 -2.594 -1.578 1.00 0.00 C ATOM 0 H ALA A 81 -1.154 -4.448 -2.744 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.554 -1.554 -3.038 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.892 -1.720 -0.944 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.586 -2.701 -2.257 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.660 -3.485 -0.955 1.00 0.00 H new ATOM 1160 N ALA A 82 -0.323 -1.043 -0.861 1.00 0.00 N ATOM 1161 CA ALA A 82 0.601 -0.657 0.165 1.00 0.00 C ATOM 1162 C ALA A 82 -0.070 0.425 0.965 1.00 0.00 C ATOM 1163 O ALA A 82 -0.777 1.255 0.399 1.00 0.00 O ATOM 1164 CB ALA A 82 1.913 -0.164 -0.418 1.00 0.00 C ATOM 0 H ALA A 82 -0.983 -0.306 -1.108 1.00 0.00 H new ATOM 0 HA ALA A 82 0.851 -1.513 0.792 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.587 0.119 0.391 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.369 -0.958 -1.010 1.00 0.00 H new ATOM 0 HB3 ALA A 82 1.726 0.701 -1.054 1.00 0.00 H new ATOM 1170 N GLU A 83 0.087 0.378 2.256 1.00 0.00 N ATOM 1171 CA GLU A 83 -0.464 1.359 3.152 1.00 0.00 C ATOM 1172 C GLU A 83 0.582 1.593 4.215 1.00 0.00 C ATOM 1173 O GLU A 83 1.420 0.726 4.402 1.00 0.00 O ATOM 1174 CB GLU A 83 -1.749 0.833 3.792 1.00 0.00 C ATOM 1175 CG GLU A 83 -1.615 -0.472 4.524 1.00 0.00 C ATOM 1176 CD GLU A 83 -2.805 -0.711 5.404 1.00 0.00 C ATOM 1177 OE1 GLU A 83 -2.638 -1.014 6.597 1.00 0.00 O ATOM 1178 OE2 GLU A 83 -3.949 -0.574 4.923 1.00 0.00 O ATOM 0 H GLU A 83 0.612 -0.358 2.728 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.713 2.279 2.624 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.122 1.584 4.488 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -2.502 0.718 3.013 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.516 -1.288 3.808 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -0.707 -0.465 5.126 1.00 0.00 H new ATOM 1185 N PRO A 84 0.625 2.744 4.864 1.00 0.00 N ATOM 1186 CA PRO A 84 1.558 2.966 5.948 1.00 0.00 C ATOM 1187 C PRO A 84 1.150 2.123 7.158 1.00 0.00 C ATOM 1188 O PRO A 84 -0.040 1.934 7.429 1.00 0.00 O ATOM 1189 CB PRO A 84 1.465 4.477 6.163 1.00 0.00 C ATOM 1190 CG PRO A 84 0.073 4.801 5.781 1.00 0.00 C ATOM 1191 CD PRO A 84 -0.178 3.939 4.587 1.00 0.00 C ATOM 0 HA PRO A 84 2.588 2.665 5.755 1.00 0.00 H new ATOM 0 HB2 PRO A 84 1.669 4.747 7.199 1.00 0.00 H new ATOM 0 HB3 PRO A 84 2.185 5.014 5.546 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -0.625 4.580 6.588 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -0.041 5.858 5.542 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -1.236 3.698 4.479 1.00 0.00 H new ATOM 0 HD3 PRO A 84 0.133 4.428 3.664 1.00 0.00 H new ATOM 1199 N TYR A 85 2.143 1.552 7.810 1.00 0.00 N ATOM 1200 CA TYR A 85 1.933 0.621 8.896 1.00 0.00 C ATOM 1201 C TYR A 85 1.159 1.216 10.070 1.00 0.00 C ATOM 1202 O TYR A 85 0.000 0.813 10.268 1.00 0.00 O ATOM 1203 CB TYR A 85 3.241 -0.130 9.251 1.00 0.00 C ATOM 1204 CG TYR A 85 4.095 0.359 10.404 1.00 0.00 C ATOM 1205 CD1 TYR A 85 4.113 -0.342 11.595 1.00 0.00 C ATOM 1206 CD2 TYR A 85 4.896 1.480 10.298 1.00 0.00 C ATOM 1207 CE1 TYR A 85 4.910 0.051 12.648 1.00 0.00 C ATOM 1208 CE2 TYR A 85 5.693 1.889 11.351 1.00 0.00 C ATOM 1209 CZ TYR A 85 5.698 1.169 12.521 1.00 0.00 C ATOM 1210 OH TYR A 85 6.514 1.547 13.563 1.00 0.00 O ATOM 1211 OXT TYR A 85 1.657 2.116 10.769 1.00 0.00 O ATOM 0 H TYR A 85 3.126 1.724 7.598 1.00 0.00 H new ATOM 0 HA TYR A 85 1.251 -0.155 8.547 1.00 0.00 H new ATOM 0 HB2 TYR A 85 2.976 -1.167 9.458 1.00 0.00 H new ATOM 0 HB3 TYR A 85 3.868 -0.133 8.359 1.00 0.00 H new ATOM 0 HD1 TYR A 85 3.489 -1.217 11.703 1.00 0.00 H new ATOM 0 HD2 TYR A 85 4.899 2.046 9.378 1.00 0.00 H new ATOM 0 HE1 TYR A 85 4.915 -0.516 13.567 1.00 0.00 H new ATOM 0 HE2 TYR A 85 6.309 2.771 11.254 1.00 0.00 H new ATOM 0 HH TYR A 85 7.007 2.357 13.315 1.00 0.00 H new TER 1221 TYR A 85