USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 597 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 50 ASN : amide:sc= 0.844 K(o=2.3,f=-4.3!) USER MOD Set 1.2: A 58 THR OG1 : rot 112:sc= 1.46 USER MOD Set 1.3: A 68 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 25 THR OG1 : rot 90:sc= 2.39 USER MOD Set 2.2: A 31 TYR OH : rot -167:sc= 1.25 USER MOD Set 3.1: A 9 TYR OH : rot 133:sc= 1.05 USER MOD Set 3.2: A 60 LYS NZ :NH3+ -163:sc= 0.131 (180deg=-1.62!) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 171:sc= -0.803! USER MOD Single : A 11 THR OG1 : rot 106:sc= 0.364 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot -30:sc= 0.857 USER MOD Single : A 21 LYS NZ :NH3+ 172:sc= 0.601 (180deg=0.506) USER MOD Single : A 22 THR OG1 : rot 85:sc= 1.25 USER MOD Single : A 27 ASN : amide:sc= 1.18 K(o=1.2,f=-0.82) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 ASN :FLIP amide:sc= 0 F(o=-0.86,f=0) USER MOD Single : A 48 SER OG : rot 70:sc= 0.0475 USER MOD Single : A 53 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.00495 USER MOD Single : A 69 ASN : amide:sc= -0.319 K(o=-0.32,f=-3.1!) USER MOD Single : A 71 SER OG : rot 77:sc= 0.733 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0.702 (180deg=0.702) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 60 N ALA A 5 5.712 3.904 5.866 1.00 0.00 N ATOM 61 CA ALA A 5 5.769 4.832 4.743 1.00 0.00 C ATOM 62 C ALA A 5 4.734 4.498 3.674 1.00 0.00 C ATOM 63 O ALA A 5 4.625 5.197 2.651 1.00 0.00 O ATOM 64 CB ALA A 5 7.169 4.841 4.146 1.00 0.00 C ATOM 0 HA ALA A 5 5.532 5.827 5.121 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.203 5.537 3.308 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.886 5.153 4.905 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.422 3.840 3.797 1.00 0.00 H new ATOM 70 N LEU A 6 3.982 3.453 3.901 1.00 0.00 N ATOM 71 CA LEU A 6 2.980 3.037 2.958 1.00 0.00 C ATOM 72 C LEU A 6 1.624 3.258 3.527 1.00 0.00 C ATOM 73 O LEU A 6 1.348 2.842 4.644 1.00 0.00 O ATOM 74 CB LEU A 6 3.087 1.554 2.644 1.00 0.00 C ATOM 75 CG LEU A 6 4.417 1.035 2.165 1.00 0.00 C ATOM 76 CD1 LEU A 6 4.275 -0.417 1.803 1.00 0.00 C ATOM 77 CD2 LEU A 6 4.903 1.824 0.984 1.00 0.00 C ATOM 0 H LEU A 6 4.046 2.872 4.737 1.00 0.00 H new ATOM 0 HA LEU A 6 3.137 3.623 2.052 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.815 1.000 3.542 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.341 1.317 1.885 1.00 0.00 H new ATOM 0 HG LEU A 6 5.152 1.143 2.963 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.234 -0.801 1.455 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.955 -0.981 2.679 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.533 -0.524 1.012 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.865 1.431 0.655 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.181 1.744 0.171 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.016 2.871 1.267 1.00 0.00 H new ATOM 89 N THR A 7 0.796 3.895 2.795 1.00 0.00 N ATOM 90 CA THR A 7 -0.559 4.041 3.170 1.00 0.00 C ATOM 91 C THR A 7 -1.362 3.061 2.314 1.00 0.00 C ATOM 92 O THR A 7 -1.493 3.251 1.104 1.00 0.00 O ATOM 93 CB THR A 7 -1.011 5.481 2.903 1.00 0.00 C ATOM 94 OG1 THR A 7 -0.072 6.379 3.518 1.00 0.00 O ATOM 95 CG2 THR A 7 -2.391 5.737 3.478 1.00 0.00 C ATOM 0 H THR A 7 1.039 4.336 1.908 1.00 0.00 H new ATOM 0 HA THR A 7 -0.706 3.834 4.230 1.00 0.00 H new ATOM 0 HB THR A 7 -1.053 5.641 1.826 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.349 7.305 3.353 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.685 6.766 3.273 1.00 0.00 H new ATOM 0 HG22 THR A 7 -3.108 5.057 3.019 1.00 0.00 H new ATOM 0 HG23 THR A 7 -2.373 5.572 4.555 1.00 0.00 H new ATOM 103 N ILE A 8 -1.843 2.011 2.918 1.00 0.00 N ATOM 104 CA ILE A 8 -2.552 0.983 2.193 1.00 0.00 C ATOM 105 C ILE A 8 -4.019 1.061 2.505 1.00 0.00 C ATOM 106 O ILE A 8 -4.413 1.201 3.654 1.00 0.00 O ATOM 107 CB ILE A 8 -2.006 -0.450 2.496 1.00 0.00 C ATOM 108 CG1 ILE A 8 -0.544 -0.564 2.057 1.00 0.00 C ATOM 109 CG2 ILE A 8 -2.859 -1.532 1.818 1.00 0.00 C ATOM 110 CD1 ILE A 8 0.055 -1.934 2.277 1.00 0.00 C ATOM 0 H ILE A 8 -1.758 1.840 3.920 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.391 1.163 1.130 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.065 -0.611 3.572 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.472 -0.312 0.999 1.00 0.00 H new ATOM 0 HG13 ILE A 8 0.047 0.172 2.601 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.451 -2.516 2.050 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.884 -1.469 2.183 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.849 -1.380 0.739 1.00 0.00 H new ATOM 0 HD11 ILE A 8 1.092 -1.936 1.942 1.00 0.00 H new ATOM 0 HD12 ILE A 8 0.016 -2.182 3.338 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.511 -2.674 1.711 1.00 0.00 H new ATOM 122 N TYR A 9 -4.806 1.010 1.499 1.00 0.00 N ATOM 123 CA TYR A 9 -6.216 1.073 1.648 1.00 0.00 C ATOM 124 C TYR A 9 -6.755 -0.330 1.884 1.00 0.00 C ATOM 125 O TYR A 9 -6.385 -1.256 1.178 1.00 0.00 O ATOM 126 CB TYR A 9 -6.819 1.771 0.416 1.00 0.00 C ATOM 127 CG TYR A 9 -6.320 3.211 0.273 1.00 0.00 C ATOM 128 CD1 TYR A 9 -5.117 3.489 -0.363 1.00 0.00 C ATOM 129 CD2 TYR A 9 -7.030 4.274 0.808 1.00 0.00 C ATOM 130 CE1 TYR A 9 -4.630 4.769 -0.458 1.00 0.00 C ATOM 131 CE2 TYR A 9 -6.553 5.571 0.706 1.00 0.00 C ATOM 132 CZ TYR A 9 -5.346 5.807 0.075 1.00 0.00 C ATOM 133 OH TYR A 9 -4.851 7.090 -0.010 1.00 0.00 O ATOM 0 H TYR A 9 -4.489 0.922 0.533 1.00 0.00 H new ATOM 0 HA TYR A 9 -6.502 1.667 2.516 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.563 1.208 -0.481 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -7.906 1.770 0.494 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -4.550 2.677 -0.794 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -7.968 4.089 1.311 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -3.687 4.956 -0.951 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -7.121 6.393 1.117 1.00 0.00 H new ATOM 0 HH TYR A 9 -5.557 7.693 -0.325 1.00 0.00 H new ATOM 143 N THR A 10 -7.541 -0.500 2.931 1.00 0.00 N ATOM 144 CA THR A 10 -8.084 -1.795 3.273 1.00 0.00 C ATOM 145 C THR A 10 -9.531 -1.683 3.746 1.00 0.00 C ATOM 146 O THR A 10 -10.007 -0.586 4.060 1.00 0.00 O ATOM 147 CB THR A 10 -7.249 -2.486 4.380 1.00 0.00 C ATOM 148 OG1 THR A 10 -7.019 -1.575 5.462 1.00 0.00 O ATOM 149 CG2 THR A 10 -5.919 -3.019 3.857 1.00 0.00 C ATOM 0 H THR A 10 -7.818 0.252 3.562 1.00 0.00 H new ATOM 0 HA THR A 10 -8.046 -2.398 2.366 1.00 0.00 H new ATOM 0 HB THR A 10 -7.825 -3.341 4.733 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.621 -2.057 6.217 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.372 -3.494 4.671 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.104 -3.750 3.070 1.00 0.00 H new ATOM 0 HG23 THR A 10 -5.329 -2.195 3.456 1.00 0.00 H new ATOM 157 N THR A 11 -10.213 -2.809 3.765 1.00 0.00 N ATOM 158 CA THR A 11 -11.566 -2.948 4.250 1.00 0.00 C ATOM 159 C THR A 11 -11.693 -4.325 4.886 1.00 0.00 C ATOM 160 O THR A 11 -10.809 -5.181 4.697 1.00 0.00 O ATOM 161 CB THR A 11 -12.574 -2.883 3.085 1.00 0.00 C ATOM 162 OG1 THR A 11 -12.042 -3.564 1.944 1.00 0.00 O ATOM 163 CG2 THR A 11 -12.982 -1.471 2.726 1.00 0.00 C ATOM 0 H THR A 11 -9.821 -3.688 3.428 1.00 0.00 H new ATOM 0 HA THR A 11 -11.775 -2.145 4.956 1.00 0.00 H new ATOM 0 HB THR A 11 -13.483 -3.382 3.420 1.00 0.00 H new ATOM 0 HG1 THR A 11 -12.497 -4.425 1.835 1.00 0.00 H new ATOM 0 HG21 THR A 11 -13.692 -1.496 1.899 1.00 0.00 H new ATOM 0 HG22 THR A 11 -13.447 -0.996 3.590 1.00 0.00 H new ATOM 0 HG23 THR A 11 -12.101 -0.902 2.430 1.00 0.00 H new ATOM 171 N SER A 12 -12.759 -4.554 5.630 1.00 0.00 N ATOM 172 CA SER A 12 -13.032 -5.861 6.167 1.00 0.00 C ATOM 173 C SER A 12 -13.538 -6.734 5.021 1.00 0.00 C ATOM 174 O SER A 12 -13.438 -7.955 5.060 1.00 0.00 O ATOM 175 CB SER A 12 -14.075 -5.773 7.302 1.00 0.00 C ATOM 176 OG SER A 12 -14.256 -7.027 7.972 1.00 0.00 O ATOM 0 H SER A 12 -13.449 -3.844 5.873 1.00 0.00 H new ATOM 0 HA SER A 12 -12.129 -6.296 6.596 1.00 0.00 H new ATOM 0 HB2 SER A 12 -13.760 -5.020 8.024 1.00 0.00 H new ATOM 0 HB3 SER A 12 -15.029 -5.442 6.891 1.00 0.00 H new ATOM 0 HG SER A 12 -14.923 -6.925 8.683 1.00 0.00 H new ATOM 182 N TRP A 13 -14.043 -6.071 3.980 1.00 0.00 N ATOM 183 CA TRP A 13 -14.528 -6.731 2.786 1.00 0.00 C ATOM 184 C TRP A 13 -13.304 -7.021 1.933 1.00 0.00 C ATOM 185 O TRP A 13 -12.975 -6.264 1.009 1.00 0.00 O ATOM 186 CB TRP A 13 -15.484 -5.805 1.998 1.00 0.00 C ATOM 187 CG TRP A 13 -16.378 -4.967 2.870 1.00 0.00 C ATOM 188 CD1 TRP A 13 -17.049 -5.371 3.974 1.00 0.00 C ATOM 189 CD2 TRP A 13 -16.699 -3.581 2.695 1.00 0.00 C ATOM 190 NE1 TRP A 13 -17.745 -4.336 4.516 1.00 0.00 N ATOM 191 CE2 TRP A 13 -17.561 -3.221 3.746 1.00 0.00 C ATOM 192 CE3 TRP A 13 -16.339 -2.611 1.755 1.00 0.00 C ATOM 193 CZ2 TRP A 13 -18.067 -1.931 3.889 1.00 0.00 C ATOM 194 CZ3 TRP A 13 -16.843 -1.333 1.894 1.00 0.00 C ATOM 195 CH2 TRP A 13 -17.698 -1.005 2.954 1.00 0.00 C ATOM 0 H TRP A 13 -14.124 -5.055 3.950 1.00 0.00 H new ATOM 0 HA TRP A 13 -15.076 -7.637 3.044 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -14.893 -5.146 1.361 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -16.103 -6.414 1.339 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -17.034 -6.376 4.370 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -18.313 -4.384 5.362 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -15.679 -2.856 0.936 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -18.725 -1.673 4.706 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -16.574 -0.574 1.174 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -18.075 0.004 3.034 1.00 0.00 H new ATOM 206 N CYS A 14 -12.608 -8.067 2.256 1.00 0.00 N ATOM 207 CA CYS A 14 -11.321 -8.279 1.681 1.00 0.00 C ATOM 208 C CYS A 14 -11.138 -9.702 1.176 1.00 0.00 C ATOM 209 O CYS A 14 -11.921 -10.600 1.488 1.00 0.00 O ATOM 210 CB CYS A 14 -10.251 -7.904 2.736 1.00 0.00 C ATOM 211 SG CYS A 14 -8.533 -7.970 2.163 1.00 0.00 S ATOM 0 H CYS A 14 -12.911 -8.785 2.914 1.00 0.00 H new ATOM 0 HA CYS A 14 -11.214 -7.643 0.802 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -10.457 -6.896 3.095 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -10.357 -8.574 3.589 1.00 0.00 H new ATOM 216 N GLY A 15 -10.118 -9.865 0.370 1.00 0.00 N ATOM 217 CA GLY A 15 -9.728 -11.123 -0.192 1.00 0.00 C ATOM 218 C GLY A 15 -8.362 -10.966 -0.809 1.00 0.00 C ATOM 219 O GLY A 15 -7.344 -11.242 -0.176 1.00 0.00 O ATOM 0 H GLY A 15 -9.518 -9.093 0.080 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.710 -11.893 0.579 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -10.449 -11.442 -0.944 1.00 0.00 H new ATOM 223 N TYR A 16 -8.342 -10.432 -2.014 1.00 0.00 N ATOM 224 CA TYR A 16 -7.108 -10.148 -2.766 1.00 0.00 C ATOM 225 C TYR A 16 -6.162 -9.192 -2.011 1.00 0.00 C ATOM 226 O TYR A 16 -4.942 -9.296 -2.107 1.00 0.00 O ATOM 227 CB TYR A 16 -7.439 -9.616 -4.190 1.00 0.00 C ATOM 228 CG TYR A 16 -8.204 -8.276 -4.300 1.00 0.00 C ATOM 229 CD1 TYR A 16 -9.210 -7.906 -3.400 1.00 0.00 C ATOM 230 CD2 TYR A 16 -7.927 -7.403 -5.343 1.00 0.00 C ATOM 231 CE1 TYR A 16 -9.894 -6.720 -3.538 1.00 0.00 C ATOM 232 CE2 TYR A 16 -8.611 -6.214 -5.483 1.00 0.00 C ATOM 233 CZ TYR A 16 -9.590 -5.878 -4.578 1.00 0.00 C ATOM 234 OH TYR A 16 -10.272 -4.694 -4.716 1.00 0.00 O ATOM 0 H TYR A 16 -9.191 -10.174 -2.518 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.572 -11.091 -2.870 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -6.501 -9.512 -4.735 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -8.023 -10.379 -4.705 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -9.455 -8.565 -2.580 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -7.161 -7.660 -6.059 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -10.666 -6.453 -2.831 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -8.378 -5.549 -6.301 1.00 0.00 H new ATOM 0 HH TYR A 16 -11.180 -4.796 -4.361 1.00 0.00 H new ATOM 244 N CYS A 17 -6.738 -8.295 -1.236 1.00 0.00 N ATOM 245 CA CYS A 17 -5.980 -7.351 -0.429 1.00 0.00 C ATOM 246 C CYS A 17 -5.163 -8.060 0.640 1.00 0.00 C ATOM 247 O CYS A 17 -4.019 -7.693 0.905 1.00 0.00 O ATOM 248 CB CYS A 17 -6.931 -6.349 0.211 1.00 0.00 C ATOM 249 SG CYS A 17 -8.609 -7.005 0.397 1.00 0.00 S ATOM 0 H CYS A 17 -7.749 -8.197 -1.146 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.282 -6.827 -1.082 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -6.546 -6.062 1.190 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -6.963 -5.445 -0.397 1.00 0.00 H new ATOM 254 N LEU A 18 -5.734 -9.117 1.200 1.00 0.00 N ATOM 255 CA LEU A 18 -5.114 -9.848 2.274 1.00 0.00 C ATOM 256 C LEU A 18 -3.875 -10.577 1.793 1.00 0.00 C ATOM 257 O LEU A 18 -2.904 -10.709 2.534 1.00 0.00 O ATOM 258 CB LEU A 18 -6.105 -10.816 2.897 1.00 0.00 C ATOM 259 CG LEU A 18 -5.629 -11.534 4.160 1.00 0.00 C ATOM 260 CD1 LEU A 18 -5.220 -10.530 5.237 1.00 0.00 C ATOM 261 CD2 LEU A 18 -6.723 -12.410 4.674 1.00 0.00 C ATOM 0 H LEU A 18 -6.642 -9.485 0.915 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.803 -9.135 3.037 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.018 -10.269 3.135 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.368 -11.567 2.152 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.758 -12.140 3.910 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.885 -11.066 6.125 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.409 -9.905 4.863 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.074 -9.902 5.492 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.386 -12.923 5.575 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.596 -11.802 4.909 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.987 -13.146 3.915 1.00 0.00 H new ATOM 273 N ARG A 19 -3.899 -10.998 0.532 1.00 0.00 N ATOM 274 CA ARG A 19 -2.767 -11.689 -0.086 1.00 0.00 C ATOM 275 C ARG A 19 -1.529 -10.796 -0.021 1.00 0.00 C ATOM 276 O ARG A 19 -0.506 -11.160 0.566 1.00 0.00 O ATOM 277 CB ARG A 19 -3.054 -12.003 -1.559 1.00 0.00 C ATOM 278 CG ARG A 19 -4.309 -12.829 -1.865 1.00 0.00 C ATOM 279 CD ARG A 19 -4.314 -14.222 -1.226 1.00 0.00 C ATOM 280 NE ARG A 19 -4.620 -14.198 0.218 1.00 0.00 N ATOM 281 CZ ARG A 19 -5.850 -14.391 0.731 1.00 0.00 C ATOM 282 NH1 ARG A 19 -6.903 -14.471 -0.065 1.00 0.00 N ATOM 283 NH2 ARG A 19 -6.023 -14.474 2.036 1.00 0.00 N ATOM 0 H ARG A 19 -4.698 -10.872 -0.089 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.602 -12.620 0.456 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.131 -11.058 -2.098 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.193 -12.533 -1.966 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.185 -12.280 -1.520 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.405 -12.937 -2.945 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.048 -14.846 -1.736 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.340 -14.687 -1.377 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.853 -14.025 0.867 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.787 -14.386 -1.075 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.832 -14.617 0.331 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -5.223 -14.392 2.663 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -6.957 -14.620 2.418 1.00 0.00 H new ATOM 297 N LEU A 20 -1.670 -9.599 -0.569 1.00 0.00 N ATOM 298 CA LEU A 20 -0.583 -8.631 -0.616 1.00 0.00 C ATOM 299 C LEU A 20 -0.202 -8.188 0.796 1.00 0.00 C ATOM 300 O LEU A 20 0.978 -8.029 1.116 1.00 0.00 O ATOM 301 CB LEU A 20 -0.998 -7.415 -1.457 1.00 0.00 C ATOM 302 CG LEU A 20 -0.019 -6.221 -1.539 1.00 0.00 C ATOM 303 CD1 LEU A 20 1.153 -6.450 -2.508 1.00 0.00 C ATOM 304 CD2 LEU A 20 -0.768 -4.954 -1.873 1.00 0.00 C ATOM 0 H LEU A 20 -2.538 -9.271 -0.993 1.00 0.00 H new ATOM 0 HA LEU A 20 0.284 -9.102 -1.078 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.189 -7.761 -2.473 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.945 -7.044 -1.064 1.00 0.00 H new ATOM 0 HG LEU A 20 0.435 -6.120 -0.553 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.798 -5.571 -2.513 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.727 -7.319 -2.186 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.766 -6.622 -3.512 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.067 -4.121 -1.928 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.269 -5.070 -2.834 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.509 -4.755 -1.099 1.00 0.00 H new ATOM 316 N LYS A 21 -1.211 -8.021 1.634 1.00 0.00 N ATOM 317 CA LYS A 21 -1.031 -7.604 3.015 1.00 0.00 C ATOM 318 C LYS A 21 -0.177 -8.631 3.790 1.00 0.00 C ATOM 319 O LYS A 21 0.659 -8.262 4.629 1.00 0.00 O ATOM 320 CB LYS A 21 -2.411 -7.387 3.672 1.00 0.00 C ATOM 321 CG LYS A 21 -2.365 -6.881 5.093 1.00 0.00 C ATOM 322 CD LYS A 21 -3.751 -6.571 5.644 1.00 0.00 C ATOM 323 CE LYS A 21 -3.645 -6.148 7.108 1.00 0.00 C ATOM 324 NZ LYS A 21 -4.944 -5.760 7.701 1.00 0.00 N ATOM 0 H LYS A 21 -2.186 -8.172 1.374 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.489 -6.658 3.041 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.978 -6.679 3.068 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.958 -8.330 3.655 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.884 -7.627 5.726 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.750 -5.982 5.136 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.215 -5.777 5.059 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.392 -7.448 5.555 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.220 -6.969 7.686 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.952 -5.310 7.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.829 -5.615 8.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.277 -4.878 7.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.641 -6.514 7.534 1.00 0.00 H new ATOM 338 N THR A 22 -0.355 -9.903 3.472 1.00 0.00 N ATOM 339 CA THR A 22 0.420 -10.963 4.088 1.00 0.00 C ATOM 340 C THR A 22 1.871 -10.891 3.582 1.00 0.00 C ATOM 341 O THR A 22 2.831 -10.938 4.370 1.00 0.00 O ATOM 342 CB THR A 22 -0.193 -12.354 3.758 1.00 0.00 C ATOM 343 OG1 THR A 22 -1.577 -12.374 4.152 1.00 0.00 O ATOM 344 CG2 THR A 22 0.549 -13.474 4.482 1.00 0.00 C ATOM 0 H THR A 22 -1.036 -10.226 2.785 1.00 0.00 H new ATOM 0 HA THR A 22 0.403 -10.832 5.170 1.00 0.00 H new ATOM 0 HB THR A 22 -0.102 -12.518 2.684 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.127 -11.999 3.433 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.096 -14.433 4.230 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.595 -13.475 4.175 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.487 -13.315 5.559 1.00 0.00 H new ATOM 352 N ALA A 23 2.008 -10.703 2.273 1.00 0.00 N ATOM 353 CA ALA A 23 3.302 -10.621 1.613 1.00 0.00 C ATOM 354 C ALA A 23 4.146 -9.482 2.160 1.00 0.00 C ATOM 355 O ALA A 23 5.317 -9.671 2.476 1.00 0.00 O ATOM 356 CB ALA A 23 3.120 -10.468 0.110 1.00 0.00 C ATOM 0 H ALA A 23 1.216 -10.603 1.638 1.00 0.00 H new ATOM 0 HA ALA A 23 3.833 -11.551 1.817 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.097 -10.408 -0.370 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.576 -11.328 -0.280 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.557 -9.558 -0.098 1.00 0.00 H new ATOM 362 N LEU A 24 3.548 -8.316 2.306 1.00 0.00 N ATOM 363 CA LEU A 24 4.275 -7.152 2.786 1.00 0.00 C ATOM 364 C LEU A 24 4.687 -7.303 4.245 1.00 0.00 C ATOM 365 O LEU A 24 5.793 -6.922 4.616 1.00 0.00 O ATOM 366 CB LEU A 24 3.484 -5.863 2.562 1.00 0.00 C ATOM 367 CG LEU A 24 3.106 -5.561 1.106 1.00 0.00 C ATOM 368 CD1 LEU A 24 2.383 -4.239 0.996 1.00 0.00 C ATOM 369 CD2 LEU A 24 4.317 -5.584 0.191 1.00 0.00 C ATOM 0 H LEU A 24 2.563 -8.147 2.100 1.00 0.00 H new ATOM 0 HA LEU A 24 5.190 -7.083 2.197 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.570 -5.912 3.153 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.069 -5.028 2.947 1.00 0.00 H new ATOM 0 HG LEU A 24 2.431 -6.352 0.780 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.127 -4.050 -0.046 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.472 -4.272 1.593 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.028 -3.440 1.362 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.005 -5.365 -0.830 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.036 -4.833 0.520 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.781 -6.570 0.226 1.00 0.00 H new ATOM 381 N THR A 25 3.829 -7.905 5.050 1.00 0.00 N ATOM 382 CA THR A 25 4.140 -8.118 6.455 1.00 0.00 C ATOM 383 C THR A 25 5.303 -9.129 6.597 1.00 0.00 C ATOM 384 O THR A 25 6.233 -8.922 7.381 1.00 0.00 O ATOM 385 CB THR A 25 2.895 -8.606 7.235 1.00 0.00 C ATOM 386 OG1 THR A 25 1.806 -7.698 7.009 1.00 0.00 O ATOM 387 CG2 THR A 25 3.180 -8.650 8.729 1.00 0.00 C ATOM 0 H THR A 25 2.916 -8.254 4.758 1.00 0.00 H new ATOM 0 HA THR A 25 4.449 -7.165 6.884 1.00 0.00 H new ATOM 0 HB THR A 25 2.641 -9.607 6.886 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.299 -7.985 6.221 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.292 -8.995 9.259 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.007 -9.334 8.922 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.446 -7.652 9.078 1.00 0.00 H new ATOM 395 N ALA A 26 5.275 -10.178 5.776 1.00 0.00 N ATOM 396 CA ALA A 26 6.324 -11.200 5.786 1.00 0.00 C ATOM 397 C ALA A 26 7.638 -10.640 5.239 1.00 0.00 C ATOM 398 O ALA A 26 8.731 -11.108 5.577 1.00 0.00 O ATOM 399 CB ALA A 26 5.885 -12.419 4.986 1.00 0.00 C ATOM 0 H ALA A 26 4.536 -10.344 5.093 1.00 0.00 H new ATOM 0 HA ALA A 26 6.493 -11.506 6.819 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.675 -13.169 5.003 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.979 -12.836 5.426 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.686 -12.125 3.955 1.00 0.00 H new ATOM 405 N ASN A 27 7.523 -9.628 4.415 1.00 0.00 N ATOM 406 CA ASN A 27 8.673 -8.953 3.823 1.00 0.00 C ATOM 407 C ASN A 27 9.185 -7.826 4.702 1.00 0.00 C ATOM 408 O ASN A 27 10.071 -7.066 4.283 1.00 0.00 O ATOM 409 CB ASN A 27 8.343 -8.431 2.425 1.00 0.00 C ATOM 410 CG ASN A 27 8.592 -9.444 1.327 1.00 0.00 C ATOM 411 OD1 ASN A 27 9.684 -9.516 0.779 1.00 0.00 O ATOM 412 ND2 ASN A 27 7.596 -10.211 0.989 1.00 0.00 N ATOM 0 H ASN A 27 6.625 -9.239 4.128 1.00 0.00 H new ATOM 0 HA ASN A 27 9.468 -9.694 3.740 1.00 0.00 H new ATOM 0 HB2 ASN A 27 7.297 -8.127 2.397 1.00 0.00 H new ATOM 0 HB3 ASN A 27 8.939 -7.540 2.228 1.00 0.00 H new ATOM 0 HD21 ASN A 27 7.712 -10.900 0.246 1.00 0.00 H new ATOM 0 HD22 ASN A 27 6.700 -10.123 1.468 1.00 0.00 H new ATOM 419 N ARG A 28 8.612 -7.724 5.918 1.00 0.00 N ATOM 420 CA ARG A 28 9.016 -6.751 6.954 1.00 0.00 C ATOM 421 C ARG A 28 8.744 -5.318 6.524 1.00 0.00 C ATOM 422 O ARG A 28 9.397 -4.369 6.980 1.00 0.00 O ATOM 423 CB ARG A 28 10.481 -6.953 7.353 1.00 0.00 C ATOM 424 CG ARG A 28 10.763 -8.329 7.937 1.00 0.00 C ATOM 425 CD ARG A 28 12.233 -8.510 8.262 1.00 0.00 C ATOM 426 NE ARG A 28 13.083 -8.382 7.072 1.00 0.00 N ATOM 427 CZ ARG A 28 14.364 -8.757 6.993 1.00 0.00 C ATOM 428 NH1 ARG A 28 15.001 -9.238 8.056 1.00 0.00 N ATOM 429 NH2 ARG A 28 15.009 -8.632 5.850 1.00 0.00 N ATOM 0 H ARG A 28 7.843 -8.325 6.213 1.00 0.00 H new ATOM 0 HA ARG A 28 8.402 -6.936 7.835 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.113 -6.801 6.478 1.00 0.00 H new ATOM 0 HB3 ARG A 28 10.759 -6.193 8.083 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.171 -8.469 8.841 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.450 -9.096 7.229 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.534 -7.769 9.003 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.386 -9.491 8.712 1.00 0.00 H new ATOM 0 HE ARG A 28 12.662 -7.974 6.237 1.00 0.00 H new ATOM 0 HH11 ARG A 28 14.512 -9.325 8.947 1.00 0.00 H new ATOM 0 HH12 ARG A 28 15.978 -9.520 7.980 1.00 0.00 H new ATOM 0 HH21 ARG A 28 14.531 -8.251 5.033 1.00 0.00 H new ATOM 0 HH22 ARG A 28 15.986 -8.916 5.782 1.00 0.00 H new ATOM 443 N ILE A 29 7.743 -5.163 5.703 1.00 0.00 N ATOM 444 CA ILE A 29 7.360 -3.883 5.198 1.00 0.00 C ATOM 445 C ILE A 29 6.302 -3.265 6.110 1.00 0.00 C ATOM 446 O ILE A 29 5.268 -3.884 6.386 1.00 0.00 O ATOM 447 CB ILE A 29 6.844 -4.007 3.741 1.00 0.00 C ATOM 448 CG1 ILE A 29 7.978 -4.537 2.849 1.00 0.00 C ATOM 449 CG2 ILE A 29 6.342 -2.672 3.235 1.00 0.00 C ATOM 450 CD1 ILE A 29 7.587 -4.780 1.417 1.00 0.00 C ATOM 0 H ILE A 29 7.166 -5.933 5.365 1.00 0.00 H new ATOM 0 HA ILE A 29 8.230 -3.226 5.185 1.00 0.00 H new ATOM 0 HB ILE A 29 6.008 -4.706 3.713 1.00 0.00 H new ATOM 0 HG12 ILE A 29 8.803 -3.825 2.871 1.00 0.00 H new ATOM 0 HG13 ILE A 29 8.351 -5.469 3.273 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.985 -2.782 2.211 1.00 0.00 H new ATOM 0 HG22 ILE A 29 5.526 -2.326 3.869 1.00 0.00 H new ATOM 0 HG23 ILE A 29 7.154 -1.945 3.260 1.00 0.00 H new ATOM 0 HD11 ILE A 29 8.449 -5.152 0.863 1.00 0.00 H new ATOM 0 HD12 ILE A 29 6.785 -5.517 1.379 1.00 0.00 H new ATOM 0 HD13 ILE A 29 7.244 -3.847 0.970 1.00 0.00 H new ATOM 462 N ALA A 30 6.594 -2.082 6.605 1.00 0.00 N ATOM 463 CA ALA A 30 5.706 -1.373 7.501 1.00 0.00 C ATOM 464 C ALA A 30 4.711 -0.541 6.710 1.00 0.00 C ATOM 465 O ALA A 30 5.095 0.293 5.869 1.00 0.00 O ATOM 466 CB ALA A 30 6.510 -0.488 8.441 1.00 0.00 C ATOM 0 H ALA A 30 7.458 -1.582 6.396 1.00 0.00 H new ATOM 0 HA ALA A 30 5.152 -2.100 8.094 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.832 0.041 9.111 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.192 -1.104 9.027 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.083 0.234 7.860 1.00 0.00 H new ATOM 472 N TYR A 31 3.457 -0.736 6.987 1.00 0.00 N ATOM 473 CA TYR A 31 2.408 -0.052 6.280 1.00 0.00 C ATOM 474 C TYR A 31 1.349 0.441 7.240 1.00 0.00 C ATOM 475 O TYR A 31 1.217 -0.065 8.350 1.00 0.00 O ATOM 476 CB TYR A 31 1.787 -0.957 5.203 1.00 0.00 C ATOM 477 CG TYR A 31 1.245 -2.280 5.716 1.00 0.00 C ATOM 478 CD1 TYR A 31 -0.026 -2.370 6.279 1.00 0.00 C ATOM 479 CD2 TYR A 31 2.007 -3.433 5.634 1.00 0.00 C ATOM 480 CE1 TYR A 31 -0.509 -3.568 6.750 1.00 0.00 C ATOM 481 CE2 TYR A 31 1.529 -4.632 6.099 1.00 0.00 C ATOM 482 CZ TYR A 31 0.273 -4.696 6.659 1.00 0.00 C ATOM 483 OH TYR A 31 -0.204 -5.895 7.123 1.00 0.00 O ATOM 0 H TYR A 31 3.128 -1.375 7.711 1.00 0.00 H new ATOM 0 HA TYR A 31 2.847 0.812 5.781 1.00 0.00 H new ATOM 0 HB2 TYR A 31 0.978 -0.414 4.715 1.00 0.00 H new ATOM 0 HB3 TYR A 31 2.540 -1.160 4.441 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -0.641 -1.485 6.347 1.00 0.00 H new ATOM 0 HD2 TYR A 31 2.994 -3.388 5.197 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -1.495 -3.623 7.188 1.00 0.00 H new ATOM 0 HE2 TYR A 31 2.136 -5.522 6.026 1.00 0.00 H new ATOM 0 HH TYR A 31 0.531 -6.541 7.177 1.00 0.00 H new ATOM 493 N ASP A 32 0.640 1.428 6.823 1.00 0.00 N ATOM 494 CA ASP A 32 -0.439 1.996 7.577 1.00 0.00 C ATOM 495 C ASP A 32 -1.704 1.828 6.778 1.00 0.00 C ATOM 496 O ASP A 32 -1.814 2.356 5.672 1.00 0.00 O ATOM 497 CB ASP A 32 -0.154 3.474 7.847 1.00 0.00 C ATOM 498 CG ASP A 32 -1.284 4.189 8.545 1.00 0.00 C ATOM 499 OD1 ASP A 32 -1.566 3.890 9.721 1.00 0.00 O ATOM 500 OD2 ASP A 32 -1.905 5.079 7.931 1.00 0.00 O ATOM 0 H ASP A 32 0.792 1.882 5.922 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.547 1.495 8.539 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.747 3.557 8.454 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.052 3.974 6.901 1.00 0.00 H new ATOM 505 N GLU A 33 -2.622 1.046 7.288 1.00 0.00 N ATOM 506 CA GLU A 33 -3.842 0.785 6.574 1.00 0.00 C ATOM 507 C GLU A 33 -4.922 1.798 6.956 1.00 0.00 C ATOM 508 O GLU A 33 -4.988 2.270 8.112 1.00 0.00 O ATOM 509 CB GLU A 33 -4.289 -0.670 6.739 1.00 0.00 C ATOM 510 CG GLU A 33 -4.658 -1.097 8.142 1.00 0.00 C ATOM 511 CD GLU A 33 -4.933 -2.578 8.218 1.00 0.00 C ATOM 512 OE1 GLU A 33 -5.880 -3.081 7.539 1.00 0.00 O ATOM 513 OE2 GLU A 33 -4.201 -3.289 8.924 1.00 0.00 O ATOM 0 H GLU A 33 -2.546 0.581 8.193 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.656 0.918 5.508 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.149 -0.840 6.091 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.488 -1.318 6.383 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.848 -0.841 8.825 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.539 -0.546 8.471 1.00 0.00 H new ATOM 520 N VAL A 34 -5.733 2.153 5.992 1.00 0.00 N ATOM 521 CA VAL A 34 -6.701 3.217 6.154 1.00 0.00 C ATOM 522 C VAL A 34 -8.056 2.706 6.693 1.00 0.00 C ATOM 523 O VAL A 34 -8.451 1.572 6.481 1.00 0.00 O ATOM 524 CB VAL A 34 -6.901 4.021 4.822 1.00 0.00 C ATOM 525 CG1 VAL A 34 -7.633 5.337 5.049 1.00 0.00 C ATOM 526 CG2 VAL A 34 -5.577 4.271 4.132 1.00 0.00 C ATOM 0 H VAL A 34 -5.744 1.715 5.071 1.00 0.00 H new ATOM 0 HA VAL A 34 -6.290 3.894 6.903 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.524 3.404 4.174 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.748 5.858 4.099 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -8.616 5.138 5.475 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -7.059 5.959 5.736 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.746 4.830 3.212 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.926 4.845 4.791 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.104 3.318 3.896 1.00 0.00 H new ATOM 536 N ASP A 35 -8.726 3.605 7.362 1.00 0.00 N ATOM 537 CA ASP A 35 -10.016 3.445 8.050 1.00 0.00 C ATOM 538 C ASP A 35 -11.233 3.575 7.140 1.00 0.00 C ATOM 539 O ASP A 35 -12.352 3.568 7.638 1.00 0.00 O ATOM 540 CB ASP A 35 -10.140 4.376 9.252 1.00 0.00 C ATOM 541 CG ASP A 35 -9.138 4.051 10.324 1.00 0.00 C ATOM 542 OD1 ASP A 35 -9.307 3.044 11.034 1.00 0.00 O ATOM 543 OD2 ASP A 35 -8.138 4.776 10.449 1.00 0.00 O ATOM 0 H ASP A 35 -8.368 4.555 7.459 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.013 2.414 8.404 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.001 5.407 8.927 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.147 4.304 9.663 1.00 0.00 H new ATOM 548 N ILE A 36 -11.001 3.770 5.826 1.00 0.00 N ATOM 549 CA ILE A 36 -12.034 4.179 4.795 1.00 0.00 C ATOM 550 C ILE A 36 -13.410 3.495 4.906 1.00 0.00 C ATOM 551 O ILE A 36 -14.404 4.070 4.471 1.00 0.00 O ATOM 552 CB ILE A 36 -11.558 3.870 3.347 1.00 0.00 C ATOM 553 CG1 ILE A 36 -11.227 2.381 3.183 1.00 0.00 C ATOM 554 CG2 ILE A 36 -10.381 4.719 2.951 1.00 0.00 C ATOM 555 CD1 ILE A 36 -11.041 1.953 1.750 1.00 0.00 C ATOM 0 H ILE A 36 -10.073 3.650 5.420 1.00 0.00 H new ATOM 0 HA ILE A 36 -12.144 5.243 5.004 1.00 0.00 H new ATOM 0 HB ILE A 36 -12.383 4.117 2.679 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -10.317 2.157 3.740 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -12.027 1.789 3.628 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.080 4.472 1.933 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -10.658 5.772 3.002 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -9.550 4.529 3.631 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -10.810 0.888 1.715 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -11.957 2.144 1.191 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -10.221 2.517 1.305 1.00 0.00 H new ATOM 567 N GLU A 37 -13.465 2.304 5.454 1.00 0.00 N ATOM 568 CA GLU A 37 -14.716 1.592 5.628 1.00 0.00 C ATOM 569 C GLU A 37 -15.629 2.401 6.550 1.00 0.00 C ATOM 570 O GLU A 37 -16.822 2.562 6.300 1.00 0.00 O ATOM 571 CB GLU A 37 -14.419 0.254 6.265 1.00 0.00 C ATOM 572 CG GLU A 37 -15.580 -0.700 6.347 1.00 0.00 C ATOM 573 CD GLU A 37 -15.180 -1.939 7.067 1.00 0.00 C ATOM 574 OE1 GLU A 37 -14.309 -2.653 6.574 1.00 0.00 O ATOM 575 OE2 GLU A 37 -15.708 -2.204 8.176 1.00 0.00 O ATOM 0 H GLU A 37 -12.646 1.799 5.793 1.00 0.00 H new ATOM 0 HA GLU A 37 -15.208 1.449 4.666 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -13.617 -0.225 5.703 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -14.043 0.427 7.273 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -16.414 -0.225 6.863 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -15.926 -0.950 5.344 1.00 0.00 H new ATOM 582 N HIS A 38 -15.028 2.940 7.578 1.00 0.00 N ATOM 583 CA HIS A 38 -15.717 3.703 8.584 1.00 0.00 C ATOM 584 C HIS A 38 -15.509 5.203 8.316 1.00 0.00 C ATOM 585 O HIS A 38 -16.413 6.015 8.504 1.00 0.00 O ATOM 586 CB HIS A 38 -15.144 3.306 9.960 1.00 0.00 C ATOM 587 CG HIS A 38 -15.888 3.821 11.152 1.00 0.00 C ATOM 588 ND1 HIS A 38 -16.796 3.069 11.864 1.00 0.00 N ATOM 589 CD2 HIS A 38 -15.808 5.016 11.788 1.00 0.00 C ATOM 590 CE1 HIS A 38 -17.229 3.801 12.884 1.00 0.00 C ATOM 591 NE2 HIS A 38 -16.659 5.001 12.890 1.00 0.00 N ATOM 0 H HIS A 38 -14.025 2.859 7.742 1.00 0.00 H new ATOM 0 HA HIS A 38 -16.788 3.499 8.564 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -15.112 2.218 10.018 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -14.114 3.659 10.019 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -15.185 5.846 11.488 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -17.951 3.465 13.614 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -16.813 5.754 13.561 1.00 0.00 H new ATOM 599 N ASN A 39 -14.318 5.539 7.863 1.00 0.00 N ATOM 600 CA ASN A 39 -13.935 6.922 7.591 1.00 0.00 C ATOM 601 C ASN A 39 -14.250 7.283 6.138 1.00 0.00 C ATOM 602 O ASN A 39 -13.481 6.962 5.213 1.00 0.00 O ATOM 603 CB ASN A 39 -12.448 7.123 7.906 1.00 0.00 C ATOM 604 CG ASN A 39 -11.966 8.540 7.695 1.00 0.00 C ATOM 605 OD1 ASN A 39 -11.416 8.814 6.540 1.00 0.00 O flip ATOM 606 ND2 ASN A 39 -12.050 9.370 8.585 1.00 0.00 N flip ATOM 0 H ASN A 39 -13.580 4.862 7.670 1.00 0.00 H new ATOM 0 HA ASN A 39 -14.512 7.588 8.232 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -12.264 6.837 8.941 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -11.860 6.452 7.280 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -12.485 9.123 9.474 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -11.685 10.311 8.440 1.00 0.00 H new ATOM 613 N ARG A 40 -15.361 7.962 5.954 1.00 0.00 N ATOM 614 CA ARG A 40 -15.933 8.242 4.629 1.00 0.00 C ATOM 615 C ARG A 40 -15.062 9.151 3.740 1.00 0.00 C ATOM 616 O ARG A 40 -14.942 8.909 2.541 1.00 0.00 O ATOM 617 CB ARG A 40 -17.352 8.825 4.768 1.00 0.00 C ATOM 618 CG ARG A 40 -17.416 10.213 5.403 1.00 0.00 C ATOM 619 CD ARG A 40 -18.843 10.675 5.593 1.00 0.00 C ATOM 620 NE ARG A 40 -19.556 9.871 6.587 1.00 0.00 N ATOM 621 CZ ARG A 40 -20.819 9.441 6.476 1.00 0.00 C ATOM 622 NH1 ARG A 40 -21.547 9.742 5.400 1.00 0.00 N ATOM 623 NH2 ARG A 40 -21.354 8.730 7.456 1.00 0.00 N ATOM 0 H ARG A 40 -15.910 8.346 6.723 1.00 0.00 H new ATOM 0 HA ARG A 40 -15.974 7.281 4.117 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -17.809 8.872 3.779 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -17.954 8.140 5.365 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -16.907 10.196 6.367 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -16.883 10.926 4.774 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -18.847 11.720 5.903 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -19.370 10.623 4.640 1.00 0.00 H new ATOM 0 HE ARG A 40 -19.048 9.617 7.435 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -21.142 10.305 4.652 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -22.508 9.409 5.325 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -20.805 8.514 8.288 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -22.316 8.399 7.379 1.00 0.00 H new ATOM 637 N ALA A 41 -14.425 10.152 4.327 1.00 0.00 N ATOM 638 CA ALA A 41 -13.669 11.147 3.556 1.00 0.00 C ATOM 639 C ALA A 41 -12.488 10.534 2.812 1.00 0.00 C ATOM 640 O ALA A 41 -12.085 11.014 1.750 1.00 0.00 O ATOM 641 CB ALA A 41 -13.213 12.287 4.444 1.00 0.00 C ATOM 0 H ALA A 41 -14.412 10.304 5.336 1.00 0.00 H new ATOM 0 HA ALA A 41 -14.348 11.544 2.801 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.655 13.011 3.849 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -14.082 12.774 4.886 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -12.573 11.898 5.236 1.00 0.00 H new ATOM 647 N ALA A 42 -11.944 9.475 3.354 1.00 0.00 N ATOM 648 CA ALA A 42 -10.829 8.811 2.716 1.00 0.00 C ATOM 649 C ALA A 42 -11.328 7.786 1.711 1.00 0.00 C ATOM 650 O ALA A 42 -10.631 7.443 0.767 1.00 0.00 O ATOM 651 CB ALA A 42 -9.915 8.164 3.743 1.00 0.00 C ATOM 0 H ALA A 42 -12.250 9.053 4.231 1.00 0.00 H new ATOM 0 HA ALA A 42 -10.246 9.562 2.182 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -9.086 7.673 3.234 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -9.526 8.928 4.416 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -10.477 7.427 4.317 1.00 0.00 H new ATOM 657 N ALA A 43 -12.557 7.321 1.908 1.00 0.00 N ATOM 658 CA ALA A 43 -13.150 6.313 1.038 1.00 0.00 C ATOM 659 C ALA A 43 -13.415 6.898 -0.330 1.00 0.00 C ATOM 660 O ALA A 43 -13.183 6.252 -1.358 1.00 0.00 O ATOM 661 CB ALA A 43 -14.437 5.766 1.640 1.00 0.00 C ATOM 0 H ALA A 43 -13.165 7.629 2.667 1.00 0.00 H new ATOM 0 HA ALA A 43 -12.445 5.487 0.938 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -14.861 5.016 0.973 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -14.222 5.311 2.607 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -15.151 6.579 1.772 1.00 0.00 H new ATOM 667 N GLU A 44 -13.867 8.135 -0.336 1.00 0.00 N ATOM 668 CA GLU A 44 -14.166 8.841 -1.563 1.00 0.00 C ATOM 669 C GLU A 44 -12.881 9.099 -2.343 1.00 0.00 C ATOM 670 O GLU A 44 -12.868 9.066 -3.581 1.00 0.00 O ATOM 671 CB GLU A 44 -14.889 10.159 -1.259 1.00 0.00 C ATOM 672 CG GLU A 44 -16.118 9.998 -0.366 1.00 0.00 C ATOM 673 CD GLU A 44 -17.058 8.929 -0.865 1.00 0.00 C ATOM 674 OE1 GLU A 44 -17.776 9.159 -1.853 1.00 0.00 O ATOM 675 OE2 GLU A 44 -17.081 7.819 -0.303 1.00 0.00 O ATOM 0 H GLU A 44 -14.037 8.679 0.510 1.00 0.00 H new ATOM 0 HA GLU A 44 -14.825 8.224 -2.173 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -14.190 10.843 -0.779 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -15.192 10.621 -2.199 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -15.798 9.752 0.646 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -16.650 10.948 -0.310 1.00 0.00 H new ATOM 682 N PHE A 45 -11.799 9.289 -1.600 1.00 0.00 N ATOM 683 CA PHE A 45 -10.480 9.547 -2.155 1.00 0.00 C ATOM 684 C PHE A 45 -9.947 8.307 -2.893 1.00 0.00 C ATOM 685 O PHE A 45 -9.203 8.428 -3.873 1.00 0.00 O ATOM 686 CB PHE A 45 -9.525 9.993 -1.031 1.00 0.00 C ATOM 687 CG PHE A 45 -8.134 10.342 -1.484 1.00 0.00 C ATOM 688 CD1 PHE A 45 -7.893 11.517 -2.174 1.00 0.00 C ATOM 689 CD2 PHE A 45 -7.068 9.500 -1.203 1.00 0.00 C ATOM 690 CE1 PHE A 45 -6.617 11.846 -2.579 1.00 0.00 C ATOM 691 CE2 PHE A 45 -5.790 9.825 -1.608 1.00 0.00 C ATOM 692 CZ PHE A 45 -5.565 10.998 -2.296 1.00 0.00 C ATOM 0 H PHE A 45 -11.815 9.268 -0.580 1.00 0.00 H new ATOM 0 HA PHE A 45 -10.549 10.352 -2.887 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -9.956 10.860 -0.530 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -9.461 9.196 -0.291 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -8.713 12.183 -2.398 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -7.240 8.581 -0.662 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -6.441 12.766 -3.117 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -4.967 9.162 -1.386 1.00 0.00 H new ATOM 0 HZ PHE A 45 -4.565 11.254 -2.614 1.00 0.00 H new ATOM 702 N VAL A 46 -10.353 7.122 -2.439 1.00 0.00 N ATOM 703 CA VAL A 46 -9.963 5.869 -3.097 1.00 0.00 C ATOM 704 C VAL A 46 -10.519 5.866 -4.515 1.00 0.00 C ATOM 705 O VAL A 46 -9.817 5.554 -5.484 1.00 0.00 O ATOM 706 CB VAL A 46 -10.499 4.623 -2.346 1.00 0.00 C ATOM 707 CG1 VAL A 46 -10.017 3.340 -3.011 1.00 0.00 C ATOM 708 CG2 VAL A 46 -10.074 4.649 -0.896 1.00 0.00 C ATOM 0 H VAL A 46 -10.950 7.000 -1.621 1.00 0.00 H new ATOM 0 HA VAL A 46 -8.874 5.816 -3.099 1.00 0.00 H new ATOM 0 HB VAL A 46 -11.588 4.648 -2.391 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -10.406 2.480 -2.466 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -10.372 3.308 -4.041 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.927 3.313 -3.002 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -10.461 3.766 -0.388 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -8.986 4.655 -0.836 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.469 5.545 -0.417 1.00 0.00 H new ATOM 718 N GLY A 47 -11.772 6.305 -4.625 1.00 0.00 N ATOM 719 CA GLY A 47 -12.433 6.390 -5.904 1.00 0.00 C ATOM 720 C GLY A 47 -11.702 7.326 -6.840 1.00 0.00 C ATOM 721 O GLY A 47 -11.625 7.081 -8.041 1.00 0.00 O ATOM 0 H GLY A 47 -12.342 6.606 -3.834 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.492 5.398 -6.352 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.456 6.738 -5.764 1.00 0.00 H new ATOM 725 N SER A 48 -11.129 8.366 -6.272 1.00 0.00 N ATOM 726 CA SER A 48 -10.374 9.338 -7.009 1.00 0.00 C ATOM 727 C SER A 48 -9.064 8.743 -7.550 1.00 0.00 C ATOM 728 O SER A 48 -8.764 8.870 -8.742 1.00 0.00 O ATOM 729 CB SER A 48 -10.091 10.540 -6.112 1.00 0.00 C ATOM 730 OG SER A 48 -11.302 11.079 -5.600 1.00 0.00 O ATOM 0 H SER A 48 -11.180 8.556 -5.271 1.00 0.00 H new ATOM 0 HA SER A 48 -10.962 9.656 -7.870 1.00 0.00 H new ATOM 0 HB2 SER A 48 -9.443 10.241 -5.288 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.557 11.304 -6.677 1.00 0.00 H new ATOM 0 HG SER A 48 -11.691 10.453 -4.954 1.00 0.00 H new ATOM 736 N VAL A 49 -8.317 8.053 -6.696 1.00 0.00 N ATOM 737 CA VAL A 49 -7.014 7.521 -7.094 1.00 0.00 C ATOM 738 C VAL A 49 -7.117 6.307 -8.020 1.00 0.00 C ATOM 739 O VAL A 49 -6.219 6.063 -8.825 1.00 0.00 O ATOM 740 CB VAL A 49 -6.065 7.230 -5.898 1.00 0.00 C ATOM 741 CG1 VAL A 49 -5.748 8.517 -5.151 1.00 0.00 C ATOM 742 CG2 VAL A 49 -6.654 6.196 -4.948 1.00 0.00 C ATOM 0 H VAL A 49 -8.585 7.849 -5.733 1.00 0.00 H new ATOM 0 HA VAL A 49 -6.558 8.329 -7.666 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.141 6.816 -6.302 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.082 8.298 -4.316 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.262 9.220 -5.828 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.672 8.956 -4.774 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.960 6.021 -4.126 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.601 6.563 -4.552 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.823 5.263 -5.485 1.00 0.00 H new ATOM 752 N ASN A 50 -8.192 5.557 -7.918 1.00 0.00 N ATOM 753 CA ASN A 50 -8.377 4.413 -8.811 1.00 0.00 C ATOM 754 C ASN A 50 -9.075 4.855 -10.092 1.00 0.00 C ATOM 755 O ASN A 50 -8.894 4.257 -11.156 1.00 0.00 O ATOM 756 CB ASN A 50 -9.184 3.290 -8.152 1.00 0.00 C ATOM 757 CG ASN A 50 -8.547 2.662 -6.912 1.00 0.00 C ATOM 758 OD1 ASN A 50 -9.248 2.253 -6.012 1.00 0.00 O ATOM 759 ND2 ASN A 50 -7.243 2.538 -6.864 1.00 0.00 N ATOM 0 H ASN A 50 -8.943 5.706 -7.243 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.386 4.022 -9.042 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -10.163 3.683 -7.877 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -9.352 2.505 -8.890 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -6.802 2.091 -6.060 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -6.669 2.888 -7.631 1.00 0.00 H new ATOM 766 N GLY A 51 -9.883 5.895 -9.987 1.00 0.00 N ATOM 767 CA GLY A 51 -10.568 6.425 -11.143 1.00 0.00 C ATOM 768 C GLY A 51 -11.950 5.830 -11.317 1.00 0.00 C ATOM 769 O GLY A 51 -12.201 5.085 -12.261 1.00 0.00 O ATOM 0 H GLY A 51 -10.078 6.385 -9.114 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.651 7.508 -11.048 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.975 6.227 -12.036 1.00 0.00 H new ATOM 773 N GLY A 52 -12.828 6.107 -10.378 1.00 0.00 N ATOM 774 CA GLY A 52 -14.200 5.631 -10.464 1.00 0.00 C ATOM 775 C GLY A 52 -14.388 4.286 -9.800 1.00 0.00 C ATOM 776 O GLY A 52 -15.512 3.839 -9.583 1.00 0.00 O ATOM 0 H GLY A 52 -12.621 6.658 -9.545 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -14.864 6.359 -9.998 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -14.491 5.559 -11.512 1.00 0.00 H new ATOM 780 N ASN A 53 -13.298 3.647 -9.486 1.00 0.00 N ATOM 781 CA ASN A 53 -13.318 2.353 -8.834 1.00 0.00 C ATOM 782 C ASN A 53 -12.792 2.499 -7.452 1.00 0.00 C ATOM 783 O ASN A 53 -12.154 3.497 -7.136 1.00 0.00 O ATOM 784 CB ASN A 53 -12.437 1.327 -9.571 1.00 0.00 C ATOM 785 CG ASN A 53 -12.980 0.879 -10.905 1.00 0.00 C ATOM 786 OD1 ASN A 53 -14.190 0.826 -11.119 1.00 0.00 O ATOM 787 ND2 ASN A 53 -12.097 0.545 -11.808 1.00 0.00 N ATOM 0 H ASN A 53 -12.361 4.004 -9.673 1.00 0.00 H new ATOM 0 HA ASN A 53 -14.348 1.997 -8.836 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -11.448 1.759 -9.722 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.309 0.453 -8.933 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -12.403 0.227 -12.728 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -11.101 0.602 -11.593 1.00 0.00 H new ATOM 794 N ARG A 54 -13.084 1.544 -6.625 1.00 0.00 N ATOM 795 CA ARG A 54 -12.531 1.484 -5.307 1.00 0.00 C ATOM 796 C ARG A 54 -11.920 0.123 -5.108 1.00 0.00 C ATOM 797 O ARG A 54 -12.567 -0.822 -4.644 1.00 0.00 O ATOM 798 CB ARG A 54 -13.559 1.843 -4.218 1.00 0.00 C ATOM 799 CG ARG A 54 -14.112 3.248 -4.395 1.00 0.00 C ATOM 800 CD ARG A 54 -15.054 3.671 -3.293 1.00 0.00 C ATOM 801 NE ARG A 54 -15.663 4.964 -3.635 1.00 0.00 N ATOM 802 CZ ARG A 54 -16.189 5.843 -2.778 1.00 0.00 C ATOM 803 NH1 ARG A 54 -16.317 5.554 -1.488 1.00 0.00 N ATOM 804 NH2 ARG A 54 -16.628 7.005 -3.225 1.00 0.00 N ATOM 0 H ARG A 54 -13.719 0.777 -6.847 1.00 0.00 H new ATOM 0 HA ARG A 54 -11.752 2.240 -5.209 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -14.379 1.125 -4.243 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -13.092 1.759 -3.237 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -13.282 3.953 -4.442 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -14.634 3.306 -5.350 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -15.829 2.918 -3.154 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -14.514 3.750 -2.349 1.00 0.00 H new ATOM 0 HE ARG A 54 -15.686 5.215 -4.623 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -16.011 4.647 -1.136 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -16.721 6.239 -0.850 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -16.564 7.226 -4.219 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -17.031 7.682 -2.577 1.00 0.00 H new ATOM 818 N THR A 55 -10.714 0.012 -5.562 1.00 0.00 N ATOM 819 CA THR A 55 -9.943 -1.183 -5.497 1.00 0.00 C ATOM 820 C THR A 55 -9.268 -1.199 -4.145 1.00 0.00 C ATOM 821 O THR A 55 -8.702 -0.176 -3.737 1.00 0.00 O ATOM 822 CB THR A 55 -8.888 -1.152 -6.617 1.00 0.00 C ATOM 823 OG1 THR A 55 -9.544 -0.921 -7.883 1.00 0.00 O ATOM 824 CG2 THR A 55 -8.123 -2.458 -6.683 1.00 0.00 C ATOM 0 H THR A 55 -10.220 0.786 -6.007 1.00 0.00 H new ATOM 0 HA THR A 55 -10.561 -2.072 -5.624 1.00 0.00 H new ATOM 0 HB THR A 55 -8.182 -0.349 -6.403 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.875 -0.899 -8.599 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.385 -2.407 -7.483 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.617 -2.632 -5.733 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.816 -3.276 -6.880 1.00 0.00 H new ATOM 832 N VAL A 56 -9.331 -2.320 -3.437 1.00 0.00 N ATOM 833 CA VAL A 56 -8.826 -2.327 -2.087 1.00 0.00 C ATOM 834 C VAL A 56 -7.371 -2.139 -1.973 1.00 0.00 C ATOM 835 O VAL A 56 -6.975 -1.096 -1.480 1.00 0.00 O ATOM 836 CB VAL A 56 -9.185 -3.523 -1.217 1.00 0.00 C ATOM 837 CG1 VAL A 56 -8.737 -3.242 0.215 1.00 0.00 C ATOM 838 CG2 VAL A 56 -10.620 -3.746 -1.229 1.00 0.00 C ATOM 0 H VAL A 56 -9.715 -3.205 -3.769 1.00 0.00 H new ATOM 0 HA VAL A 56 -9.361 -1.458 -1.705 1.00 0.00 H new ATOM 0 HB VAL A 56 -8.686 -4.411 -1.606 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -8.989 -4.092 0.849 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.659 -3.082 0.234 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -9.243 -2.351 0.586 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -10.860 -4.605 -0.602 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -11.129 -2.862 -0.844 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -10.950 -3.939 -2.250 1.00 0.00 H new ATOM 848 N PRO A 57 -6.487 -3.099 -2.436 1.00 0.00 N ATOM 849 CA PRO A 57 -5.152 -3.038 -2.023 1.00 0.00 C ATOM 850 C PRO A 57 -4.319 -2.021 -2.831 1.00 0.00 C ATOM 851 O PRO A 57 -3.356 -2.361 -3.543 1.00 0.00 O ATOM 852 CB PRO A 57 -4.631 -4.442 -2.155 1.00 0.00 C ATOM 853 CG PRO A 57 -5.386 -5.004 -3.315 1.00 0.00 C ATOM 854 CD PRO A 57 -6.675 -4.201 -3.425 1.00 0.00 C ATOM 0 HA PRO A 57 -5.075 -2.678 -0.997 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.556 -4.453 -2.336 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -4.807 -5.019 -1.247 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.802 -4.926 -4.232 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -5.600 -6.062 -3.162 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.822 -3.814 -4.433 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.548 -4.809 -3.187 1.00 0.00 H new ATOM 862 N THR A 58 -4.748 -0.843 -2.739 1.00 0.00 N ATOM 863 CA THR A 58 -4.189 0.277 -3.314 1.00 0.00 C ATOM 864 C THR A 58 -3.218 0.855 -2.294 1.00 0.00 C ATOM 865 O THR A 58 -3.565 1.032 -1.120 1.00 0.00 O ATOM 866 CB THR A 58 -5.351 1.252 -3.609 1.00 0.00 C ATOM 867 OG1 THR A 58 -6.224 0.665 -4.604 1.00 0.00 O ATOM 868 CG2 THR A 58 -4.874 2.618 -4.077 1.00 0.00 C ATOM 0 H THR A 58 -5.587 -0.622 -2.202 1.00 0.00 H new ATOM 0 HA THR A 58 -3.652 0.073 -4.240 1.00 0.00 H new ATOM 0 HB THR A 58 -5.889 1.412 -2.675 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.087 0.448 -4.194 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.735 3.258 -4.268 1.00 0.00 H new ATOM 0 HG22 THR A 58 -4.250 3.070 -3.306 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.294 2.507 -4.993 1.00 0.00 H new ATOM 876 N VAL A 59 -2.013 1.067 -2.704 1.00 0.00 N ATOM 877 CA VAL A 59 -1.011 1.585 -1.823 1.00 0.00 C ATOM 878 C VAL A 59 -0.566 2.957 -2.287 1.00 0.00 C ATOM 879 O VAL A 59 -0.352 3.184 -3.481 1.00 0.00 O ATOM 880 CB VAL A 59 0.211 0.613 -1.714 1.00 0.00 C ATOM 881 CG1 VAL A 59 0.778 0.301 -3.077 1.00 0.00 C ATOM 882 CG2 VAL A 59 1.296 1.170 -0.790 1.00 0.00 C ATOM 0 H VAL A 59 -1.691 0.888 -3.655 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.448 1.675 -0.828 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.152 -0.316 -1.274 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.626 -0.376 -2.972 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.011 -0.171 -3.691 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.108 1.224 -3.554 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.127 0.467 -0.740 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.651 2.124 -1.179 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.884 1.316 0.208 1.00 0.00 H new ATOM 892 N LYS A 60 -0.504 3.873 -1.374 1.00 0.00 N ATOM 893 CA LYS A 60 0.013 5.172 -1.652 1.00 0.00 C ATOM 894 C LYS A 60 1.268 5.336 -0.836 1.00 0.00 C ATOM 895 O LYS A 60 1.272 5.080 0.367 1.00 0.00 O ATOM 896 CB LYS A 60 -1.011 6.273 -1.343 1.00 0.00 C ATOM 897 CG LYS A 60 -0.592 7.650 -1.861 1.00 0.00 C ATOM 898 CD LYS A 60 -1.720 8.692 -1.804 1.00 0.00 C ATOM 899 CE LYS A 60 -1.949 9.322 -0.426 1.00 0.00 C ATOM 900 NZ LYS A 60 -2.346 8.363 0.623 1.00 0.00 N ATOM 0 H LYS A 60 -0.812 3.739 -0.411 1.00 0.00 H new ATOM 0 HA LYS A 60 0.235 5.268 -2.715 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.970 6.002 -1.785 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.161 6.328 -0.265 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.254 8.009 -1.275 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.248 7.554 -2.891 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -1.498 9.486 -2.518 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.647 8.220 -2.130 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.034 9.826 -0.114 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -2.721 10.087 -0.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -2.755 8.879 1.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -3.052 7.702 0.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -1.511 7.831 0.941 1.00 0.00 H new ATOM 914 N PHE A 61 2.327 5.690 -1.483 1.00 0.00 N ATOM 915 CA PHE A 61 3.607 5.827 -0.824 1.00 0.00 C ATOM 916 C PHE A 61 3.774 7.219 -0.291 1.00 0.00 C ATOM 917 O PHE A 61 2.971 8.100 -0.584 1.00 0.00 O ATOM 918 CB PHE A 61 4.756 5.528 -1.806 1.00 0.00 C ATOM 919 CG PHE A 61 4.863 4.096 -2.237 1.00 0.00 C ATOM 920 CD1 PHE A 61 3.884 3.511 -3.014 1.00 0.00 C ATOM 921 CD2 PHE A 61 5.947 3.330 -1.855 1.00 0.00 C ATOM 922 CE1 PHE A 61 3.981 2.199 -3.397 1.00 0.00 C ATOM 923 CE2 PHE A 61 6.046 2.015 -2.240 1.00 0.00 C ATOM 924 CZ PHE A 61 5.062 1.445 -3.011 1.00 0.00 C ATOM 0 H PHE A 61 2.343 5.895 -2.482 1.00 0.00 H new ATOM 0 HA PHE A 61 3.638 5.113 -0.001 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.628 6.150 -2.692 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.697 5.824 -1.342 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.030 4.095 -3.324 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.725 3.769 -1.248 1.00 0.00 H new ATOM 0 HE1 PHE A 61 3.205 1.757 -4.004 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.900 1.428 -1.936 1.00 0.00 H new ATOM 0 HZ PHE A 61 5.138 0.410 -3.312 1.00 0.00 H new ATOM 934 N ALA A 62 4.861 7.427 0.448 1.00 0.00 N ATOM 935 CA ALA A 62 5.248 8.753 0.953 1.00 0.00 C ATOM 936 C ALA A 62 5.642 9.658 -0.219 1.00 0.00 C ATOM 937 O ALA A 62 5.868 10.850 -0.069 1.00 0.00 O ATOM 938 CB ALA A 62 6.403 8.622 1.941 1.00 0.00 C ATOM 0 H ALA A 62 5.504 6.682 0.717 1.00 0.00 H new ATOM 0 HA ALA A 62 4.401 9.201 1.473 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.681 9.610 2.308 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.096 7.996 2.779 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.258 8.166 1.442 1.00 0.00 H new ATOM 944 N ASP A 63 5.762 9.032 -1.376 1.00 0.00 N ATOM 945 CA ASP A 63 6.064 9.682 -2.636 1.00 0.00 C ATOM 946 C ASP A 63 4.799 10.352 -3.208 1.00 0.00 C ATOM 947 O ASP A 63 4.875 11.254 -4.038 1.00 0.00 O ATOM 948 CB ASP A 63 6.591 8.610 -3.614 1.00 0.00 C ATOM 949 CG ASP A 63 6.776 9.100 -5.031 1.00 0.00 C ATOM 950 OD1 ASP A 63 7.845 9.658 -5.354 1.00 0.00 O ATOM 951 OD2 ASP A 63 5.855 8.921 -5.852 1.00 0.00 O ATOM 0 H ASP A 63 5.648 8.022 -1.466 1.00 0.00 H new ATOM 0 HA ASP A 63 6.816 10.457 -2.488 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.545 8.235 -3.244 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.898 7.768 -3.620 1.00 0.00 H new ATOM 956 N GLY A 64 3.642 9.933 -2.726 1.00 0.00 N ATOM 957 CA GLY A 64 2.387 10.488 -3.203 1.00 0.00 C ATOM 958 C GLY A 64 1.747 9.644 -4.295 1.00 0.00 C ATOM 959 O GLY A 64 0.538 9.712 -4.513 1.00 0.00 O ATOM 0 H GLY A 64 3.545 9.214 -2.009 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.694 10.579 -2.367 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.561 11.495 -3.583 1.00 0.00 H new ATOM 963 N SER A 65 2.547 8.842 -4.967 1.00 0.00 N ATOM 964 CA SER A 65 2.052 8.002 -6.032 1.00 0.00 C ATOM 965 C SER A 65 1.280 6.804 -5.461 1.00 0.00 C ATOM 966 O SER A 65 1.568 6.330 -4.337 1.00 0.00 O ATOM 967 CB SER A 65 3.212 7.535 -6.912 1.00 0.00 C ATOM 968 OG SER A 65 2.766 6.777 -8.030 1.00 0.00 O ATOM 0 H SER A 65 3.548 8.756 -4.791 1.00 0.00 H new ATOM 0 HA SER A 65 1.363 8.582 -6.646 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.772 8.402 -7.263 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.898 6.932 -6.317 1.00 0.00 H new ATOM 0 HG SER A 65 3.538 6.500 -8.566 1.00 0.00 H new ATOM 974 N THR A 66 0.309 6.345 -6.219 1.00 0.00 N ATOM 975 CA THR A 66 -0.521 5.248 -5.846 1.00 0.00 C ATOM 976 C THR A 66 -0.290 4.074 -6.788 1.00 0.00 C ATOM 977 O THR A 66 -0.111 4.266 -7.992 1.00 0.00 O ATOM 978 CB THR A 66 -2.005 5.671 -5.935 1.00 0.00 C ATOM 979 OG1 THR A 66 -2.232 6.373 -7.176 1.00 0.00 O ATOM 980 CG2 THR A 66 -2.397 6.562 -4.778 1.00 0.00 C ATOM 0 H THR A 66 0.079 6.741 -7.130 1.00 0.00 H new ATOM 0 HA THR A 66 -0.275 4.952 -4.826 1.00 0.00 H new ATOM 0 HB THR A 66 -2.616 4.769 -5.894 1.00 0.00 H new ATOM 0 HG1 THR A 66 -3.173 6.640 -7.233 1.00 0.00 H new ATOM 0 HG21 THR A 66 -3.447 6.840 -4.873 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.246 6.028 -3.840 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.781 7.461 -4.786 1.00 0.00 H new ATOM 988 N LEU A 67 -0.257 2.885 -6.254 1.00 0.00 N ATOM 989 CA LEU A 67 -0.170 1.701 -7.073 1.00 0.00 C ATOM 990 C LEU A 67 -1.383 0.844 -6.812 1.00 0.00 C ATOM 991 O LEU A 67 -1.589 0.357 -5.686 1.00 0.00 O ATOM 992 CB LEU A 67 1.121 0.887 -6.824 1.00 0.00 C ATOM 993 CG LEU A 67 2.477 1.589 -7.042 1.00 0.00 C ATOM 994 CD1 LEU A 67 3.622 0.596 -6.882 1.00 0.00 C ATOM 995 CD2 LEU A 67 2.552 2.247 -8.409 1.00 0.00 C ATOM 0 H LEU A 67 -0.289 2.706 -5.250 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.135 2.017 -8.115 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.094 0.526 -5.796 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.092 0.010 -7.471 1.00 0.00 H new ATOM 0 HG LEU A 67 2.568 2.368 -6.286 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.572 1.107 -7.039 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.599 0.173 -5.878 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.515 -0.204 -7.615 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.521 2.731 -8.527 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.428 1.491 -9.184 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.761 2.992 -8.498 1.00 0.00 H new ATOM 1007 N THR A 68 -2.203 0.708 -7.813 1.00 0.00 N ATOM 1008 CA THR A 68 -3.395 -0.085 -7.733 1.00 0.00 C ATOM 1009 C THR A 68 -3.044 -1.537 -8.090 1.00 0.00 C ATOM 1010 O THR A 68 -2.663 -1.823 -9.228 1.00 0.00 O ATOM 1011 CB THR A 68 -4.451 0.473 -8.714 1.00 0.00 C ATOM 1012 OG1 THR A 68 -4.620 1.892 -8.480 1.00 0.00 O ATOM 1013 CG2 THR A 68 -5.789 -0.225 -8.538 1.00 0.00 C ATOM 0 H THR A 68 -2.061 1.151 -8.721 1.00 0.00 H new ATOM 0 HA THR A 68 -3.807 -0.051 -6.724 1.00 0.00 H new ATOM 0 HB THR A 68 -4.101 0.295 -9.731 1.00 0.00 H new ATOM 0 HG1 THR A 68 -5.288 2.249 -9.102 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.511 0.189 -9.242 1.00 0.00 H new ATOM 0 HG22 THR A 68 -5.670 -1.292 -8.726 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.147 -0.074 -7.520 1.00 0.00 H new ATOM 1021 N ASN A 69 -3.142 -2.424 -7.101 1.00 0.00 N ATOM 1022 CA ASN A 69 -2.787 -3.862 -7.237 1.00 0.00 C ATOM 1023 C ASN A 69 -1.330 -4.065 -7.675 1.00 0.00 C ATOM 1024 O ASN A 69 -1.071 -4.513 -8.794 1.00 0.00 O ATOM 1025 CB ASN A 69 -3.713 -4.640 -8.205 1.00 0.00 C ATOM 1026 CG ASN A 69 -5.133 -4.808 -7.728 1.00 0.00 C ATOM 1027 OD1 ASN A 69 -5.407 -4.878 -6.536 1.00 0.00 O ATOM 1028 ND2 ASN A 69 -6.045 -4.899 -8.658 1.00 0.00 N ATOM 0 H ASN A 69 -3.472 -2.176 -6.168 1.00 0.00 H new ATOM 0 HA ASN A 69 -2.925 -4.269 -6.235 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -3.726 -4.124 -9.165 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -3.285 -5.627 -8.380 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -7.023 -5.033 -8.402 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -5.779 -4.836 -9.641 1.00 0.00 H new ATOM 1035 N PRO A 70 -0.352 -3.688 -6.845 1.00 0.00 N ATOM 1036 CA PRO A 70 1.057 -3.892 -7.168 1.00 0.00 C ATOM 1037 C PRO A 70 1.546 -5.283 -6.751 1.00 0.00 C ATOM 1038 O PRO A 70 0.815 -6.057 -6.097 1.00 0.00 O ATOM 1039 CB PRO A 70 1.735 -2.843 -6.299 1.00 0.00 C ATOM 1040 CG PRO A 70 0.900 -2.832 -5.067 1.00 0.00 C ATOM 1041 CD PRO A 70 -0.515 -2.992 -5.548 1.00 0.00 C ATOM 0 HA PRO A 70 1.258 -3.813 -8.236 1.00 0.00 H new ATOM 0 HB2 PRO A 70 2.770 -3.107 -6.082 1.00 0.00 H new ATOM 0 HB3 PRO A 70 1.750 -1.867 -6.784 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.181 -3.642 -4.394 1.00 0.00 H new ATOM 0 HG3 PRO A 70 1.025 -1.901 -4.515 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -1.115 -3.576 -4.850 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -1.012 -2.029 -5.667 1.00 0.00 H new ATOM 1049 N SER A 71 2.746 -5.593 -7.132 1.00 0.00 N ATOM 1050 CA SER A 71 3.392 -6.805 -6.725 1.00 0.00 C ATOM 1051 C SER A 71 4.224 -6.476 -5.475 1.00 0.00 C ATOM 1052 O SER A 71 4.652 -5.322 -5.311 1.00 0.00 O ATOM 1053 CB SER A 71 4.304 -7.271 -7.852 1.00 0.00 C ATOM 1054 OG SER A 71 3.643 -7.166 -9.117 1.00 0.00 O ATOM 0 H SER A 71 3.313 -5.005 -7.742 1.00 0.00 H new ATOM 0 HA SER A 71 2.672 -7.593 -6.504 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.214 -6.671 -7.861 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.605 -8.304 -7.679 1.00 0.00 H new ATOM 0 HG SER A 71 3.630 -6.229 -9.402 1.00 0.00 H new ATOM 1060 N ALA A 72 4.465 -7.458 -4.618 1.00 0.00 N ATOM 1061 CA ALA A 72 5.203 -7.233 -3.365 1.00 0.00 C ATOM 1062 C ALA A 72 6.636 -6.794 -3.654 1.00 0.00 C ATOM 1063 O ALA A 72 7.196 -5.939 -2.956 1.00 0.00 O ATOM 1064 CB ALA A 72 5.196 -8.492 -2.512 1.00 0.00 C ATOM 0 H ALA A 72 4.163 -8.422 -4.760 1.00 0.00 H new ATOM 0 HA ALA A 72 4.705 -6.436 -2.813 1.00 0.00 H new ATOM 0 HB1 ALA A 72 5.746 -8.309 -1.589 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.168 -8.765 -2.274 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.669 -9.306 -3.061 1.00 0.00 H new ATOM 1070 N ASP A 73 7.191 -7.363 -4.708 1.00 0.00 N ATOM 1071 CA ASP A 73 8.546 -7.067 -5.168 1.00 0.00 C ATOM 1072 C ASP A 73 8.696 -5.589 -5.508 1.00 0.00 C ATOM 1073 O ASP A 73 9.659 -4.934 -5.072 1.00 0.00 O ATOM 1074 CB ASP A 73 8.885 -7.928 -6.387 1.00 0.00 C ATOM 1075 CG ASP A 73 10.236 -7.608 -6.979 1.00 0.00 C ATOM 1076 OD1 ASP A 73 11.262 -8.053 -6.427 1.00 0.00 O ATOM 1077 OD2 ASP A 73 10.289 -6.931 -8.011 1.00 0.00 O ATOM 0 H ASP A 73 6.710 -8.056 -5.282 1.00 0.00 H new ATOM 0 HA ASP A 73 9.241 -7.301 -4.362 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.860 -8.979 -6.100 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.118 -7.787 -7.149 1.00 0.00 H new ATOM 1082 N GLU A 74 7.706 -5.062 -6.239 1.00 0.00 N ATOM 1083 CA GLU A 74 7.675 -3.656 -6.637 1.00 0.00 C ATOM 1084 C GLU A 74 7.667 -2.778 -5.414 1.00 0.00 C ATOM 1085 O GLU A 74 8.479 -1.873 -5.282 1.00 0.00 O ATOM 1086 CB GLU A 74 6.414 -3.338 -7.440 1.00 0.00 C ATOM 1087 CG GLU A 74 6.259 -4.100 -8.731 1.00 0.00 C ATOM 1088 CD GLU A 74 4.983 -3.726 -9.445 1.00 0.00 C ATOM 1089 OE1 GLU A 74 3.929 -4.336 -9.167 1.00 0.00 O ATOM 1090 OE2 GLU A 74 5.014 -2.806 -10.289 1.00 0.00 O ATOM 0 H GLU A 74 6.906 -5.601 -6.569 1.00 0.00 H new ATOM 0 HA GLU A 74 8.558 -3.470 -7.248 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.545 -3.538 -6.813 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.406 -2.271 -7.664 1.00 0.00 H new ATOM 0 HG2 GLU A 74 7.112 -3.898 -9.379 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.262 -5.170 -8.525 1.00 0.00 H new ATOM 1097 N VAL A 75 6.754 -3.088 -4.506 1.00 0.00 N ATOM 1098 CA VAL A 75 6.566 -2.319 -3.290 1.00 0.00 C ATOM 1099 C VAL A 75 7.849 -2.269 -2.473 1.00 0.00 C ATOM 1100 O VAL A 75 8.264 -1.208 -2.039 1.00 0.00 O ATOM 1101 CB VAL A 75 5.408 -2.889 -2.426 1.00 0.00 C ATOM 1102 CG1 VAL A 75 5.232 -2.086 -1.150 1.00 0.00 C ATOM 1103 CG2 VAL A 75 4.111 -2.899 -3.214 1.00 0.00 C ATOM 0 H VAL A 75 6.121 -3.883 -4.594 1.00 0.00 H new ATOM 0 HA VAL A 75 6.300 -1.305 -3.589 1.00 0.00 H new ATOM 0 HB VAL A 75 5.667 -3.913 -2.156 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.415 -2.507 -0.565 1.00 0.00 H new ATOM 0 HG12 VAL A 75 6.152 -2.123 -0.567 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.002 -1.050 -1.401 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.311 -3.302 -2.593 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.860 -1.882 -3.515 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.229 -3.521 -4.101 1.00 0.00 H new ATOM 1113 N LYS A 76 8.486 -3.405 -2.320 1.00 0.00 N ATOM 1114 CA LYS A 76 9.695 -3.500 -1.530 1.00 0.00 C ATOM 1115 C LYS A 76 10.858 -2.730 -2.189 1.00 0.00 C ATOM 1116 O LYS A 76 11.614 -2.036 -1.510 1.00 0.00 O ATOM 1117 CB LYS A 76 10.037 -4.978 -1.289 1.00 0.00 C ATOM 1118 CG LYS A 76 11.144 -5.236 -0.276 1.00 0.00 C ATOM 1119 CD LYS A 76 11.235 -6.722 0.038 1.00 0.00 C ATOM 1120 CE LYS A 76 12.315 -7.043 1.064 1.00 0.00 C ATOM 1121 NZ LYS A 76 12.109 -6.364 2.379 1.00 0.00 N ATOM 0 H LYS A 76 8.185 -4.286 -2.736 1.00 0.00 H new ATOM 0 HA LYS A 76 9.527 -3.028 -0.562 1.00 0.00 H new ATOM 0 HB2 LYS A 76 9.136 -5.492 -0.955 1.00 0.00 H new ATOM 0 HB3 LYS A 76 10.326 -5.426 -2.240 1.00 0.00 H new ATOM 0 HG2 LYS A 76 12.097 -4.881 -0.670 1.00 0.00 H new ATOM 0 HG3 LYS A 76 10.948 -4.675 0.638 1.00 0.00 H new ATOM 0 HD2 LYS A 76 10.271 -7.070 0.410 1.00 0.00 H new ATOM 0 HD3 LYS A 76 11.439 -7.271 -0.881 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.346 -8.121 1.222 1.00 0.00 H new ATOM 0 HE3 LYS A 76 13.285 -6.752 0.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 12.878 -6.625 3.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 12.108 -5.333 2.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 11.198 -6.660 2.784 1.00 0.00 H new ATOM 1135 N ALA A 77 10.939 -2.788 -3.515 1.00 0.00 N ATOM 1136 CA ALA A 77 12.014 -2.107 -4.252 1.00 0.00 C ATOM 1137 C ALA A 77 11.774 -0.597 -4.294 1.00 0.00 C ATOM 1138 O ALA A 77 12.718 0.202 -4.345 1.00 0.00 O ATOM 1139 CB ALA A 77 12.141 -2.664 -5.662 1.00 0.00 C ATOM 0 H ALA A 77 10.279 -3.296 -4.105 1.00 0.00 H new ATOM 0 HA ALA A 77 12.950 -2.291 -3.725 1.00 0.00 H new ATOM 0 HB1 ALA A 77 12.942 -2.145 -6.188 1.00 0.00 H new ATOM 0 HB2 ALA A 77 12.369 -3.729 -5.613 1.00 0.00 H new ATOM 0 HB3 ALA A 77 11.202 -2.518 -6.197 1.00 0.00 H new ATOM 1145 N LYS A 78 10.522 -0.212 -4.295 1.00 0.00 N ATOM 1146 CA LYS A 78 10.168 1.187 -4.245 1.00 0.00 C ATOM 1147 C LYS A 78 10.345 1.716 -2.828 1.00 0.00 C ATOM 1148 O LYS A 78 10.806 2.835 -2.639 1.00 0.00 O ATOM 1149 CB LYS A 78 8.735 1.419 -4.738 1.00 0.00 C ATOM 1150 CG LYS A 78 8.511 1.152 -6.221 1.00 0.00 C ATOM 1151 CD LYS A 78 9.212 2.175 -7.097 1.00 0.00 C ATOM 1152 CE LYS A 78 8.994 1.870 -8.572 1.00 0.00 C ATOM 1153 NZ LYS A 78 9.573 2.912 -9.445 1.00 0.00 N ATOM 0 H LYS A 78 9.727 -0.850 -4.330 1.00 0.00 H new ATOM 0 HA LYS A 78 10.834 1.733 -4.912 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.062 0.782 -4.164 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.456 2.451 -4.524 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.874 0.154 -6.468 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.442 1.165 -6.434 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.837 3.173 -6.869 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.279 2.178 -6.876 1.00 0.00 H new ATOM 0 HE2 LYS A 78 9.442 0.906 -8.813 1.00 0.00 H new ATOM 0 HE3 LYS A 78 7.926 1.784 -8.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 9.402 2.665 -10.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 9.128 3.828 -9.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 10.597 2.977 -9.275 1.00 0.00 H new ATOM 1167 N LEU A 79 10.011 0.888 -1.842 1.00 0.00 N ATOM 1168 CA LEU A 79 10.133 1.254 -0.432 1.00 0.00 C ATOM 1169 C LEU A 79 11.571 1.617 -0.115 1.00 0.00 C ATOM 1170 O LEU A 79 11.848 2.694 0.419 1.00 0.00 O ATOM 1171 CB LEU A 79 9.712 0.096 0.495 1.00 0.00 C ATOM 1172 CG LEU A 79 9.642 0.404 2.001 1.00 0.00 C ATOM 1173 CD1 LEU A 79 8.420 1.253 2.366 1.00 0.00 C ATOM 1174 CD2 LEU A 79 9.680 -0.874 2.808 1.00 0.00 C ATOM 0 H LEU A 79 9.649 -0.053 -1.996 1.00 0.00 H new ATOM 0 HA LEU A 79 9.473 2.104 -0.260 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.732 -0.257 0.174 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.411 -0.728 0.349 1.00 0.00 H new ATOM 0 HG LEU A 79 10.521 0.998 2.251 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.416 1.443 3.439 1.00 0.00 H new ATOM 0 HD12 LEU A 79 8.462 2.201 1.830 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.511 0.720 2.089 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.630 -0.635 3.870 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.831 -1.501 2.536 1.00 0.00 H new ATOM 0 HD23 LEU A 79 10.607 -1.408 2.600 1.00 0.00 H new ATOM 1186 N VAL A 80 12.481 0.733 -0.494 1.00 0.00 N ATOM 1187 CA VAL A 80 13.893 0.910 -0.205 1.00 0.00 C ATOM 1188 C VAL A 80 14.467 2.183 -0.828 1.00 0.00 C ATOM 1189 O VAL A 80 15.377 2.792 -0.270 1.00 0.00 O ATOM 1190 CB VAL A 80 14.750 -0.333 -0.589 1.00 0.00 C ATOM 1191 CG1 VAL A 80 14.320 -1.554 0.192 1.00 0.00 C ATOM 1192 CG2 VAL A 80 14.713 -0.607 -2.073 1.00 0.00 C ATOM 0 H VAL A 80 12.262 -0.121 -1.007 1.00 0.00 H new ATOM 0 HA VAL A 80 13.953 1.021 0.878 1.00 0.00 H new ATOM 0 HB VAL A 80 15.782 -0.103 -0.325 1.00 0.00 H new ATOM 0 HG11 VAL A 80 14.935 -2.406 -0.097 1.00 0.00 H new ATOM 0 HG12 VAL A 80 14.440 -1.365 1.259 1.00 0.00 H new ATOM 0 HG13 VAL A 80 13.274 -1.773 -0.022 1.00 0.00 H new ATOM 0 HG21 VAL A 80 15.324 -1.482 -2.297 1.00 0.00 H new ATOM 0 HG22 VAL A 80 13.685 -0.793 -2.383 1.00 0.00 H new ATOM 0 HG23 VAL A 80 15.104 0.256 -2.612 1.00 0.00 H new ATOM 1202 N LYS A 81 13.951 2.590 -1.979 1.00 0.00 N ATOM 1203 CA LYS A 81 14.425 3.816 -2.589 1.00 0.00 C ATOM 1204 C LYS A 81 13.757 5.061 -1.977 1.00 0.00 C ATOM 1205 O LYS A 81 14.421 6.058 -1.727 1.00 0.00 O ATOM 1206 CB LYS A 81 14.316 3.822 -4.127 1.00 0.00 C ATOM 1207 CG LYS A 81 12.911 3.762 -4.678 1.00 0.00 C ATOM 1208 CD LYS A 81 12.870 4.019 -6.179 1.00 0.00 C ATOM 1209 CE LYS A 81 13.354 5.434 -6.524 1.00 0.00 C ATOM 1210 NZ LYS A 81 13.185 5.747 -7.957 1.00 0.00 N ATOM 0 H LYS A 81 13.221 2.100 -2.497 1.00 0.00 H new ATOM 0 HA LYS A 81 15.490 3.859 -2.360 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.798 4.724 -4.505 1.00 0.00 H new ATOM 0 HB3 LYS A 81 14.878 2.973 -4.517 1.00 0.00 H new ATOM 0 HG2 LYS A 81 12.481 2.783 -4.467 1.00 0.00 H new ATOM 0 HG3 LYS A 81 12.291 4.499 -4.168 1.00 0.00 H new ATOM 0 HD2 LYS A 81 13.493 3.286 -6.691 1.00 0.00 H new ATOM 0 HD3 LYS A 81 11.852 3.883 -6.544 1.00 0.00 H new ATOM 0 HE2 LYS A 81 12.802 6.160 -5.928 1.00 0.00 H new ATOM 0 HE3 LYS A 81 14.405 5.533 -6.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 13.525 6.712 -8.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 13.732 5.071 -8.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 12.179 5.679 -8.211 1.00 0.00 H new ATOM 1224 N ILE A 82 12.447 4.996 -1.705 1.00 0.00 N ATOM 1225 CA ILE A 82 11.740 6.172 -1.189 1.00 0.00 C ATOM 1226 C ILE A 82 12.029 6.429 0.281 1.00 0.00 C ATOM 1227 O ILE A 82 11.894 7.546 0.755 1.00 0.00 O ATOM 1228 CB ILE A 82 10.189 6.194 -1.512 1.00 0.00 C ATOM 1229 CG1 ILE A 82 9.388 5.007 -0.908 1.00 0.00 C ATOM 1230 CG2 ILE A 82 9.963 6.255 -3.013 1.00 0.00 C ATOM 1231 CD1 ILE A 82 9.091 5.093 0.581 1.00 0.00 C ATOM 0 H ILE A 82 11.869 4.165 -1.830 1.00 0.00 H new ATOM 0 HA ILE A 82 12.155 7.011 -1.746 1.00 0.00 H new ATOM 0 HB ILE A 82 9.805 7.093 -1.030 1.00 0.00 H new ATOM 0 HG12 ILE A 82 8.442 4.923 -1.443 1.00 0.00 H new ATOM 0 HG13 ILE A 82 9.943 4.087 -1.095 1.00 0.00 H new ATOM 0 HG21 ILE A 82 8.893 6.270 -3.220 1.00 0.00 H new ATOM 0 HG22 ILE A 82 10.422 7.159 -3.414 1.00 0.00 H new ATOM 0 HG23 ILE A 82 10.412 5.381 -3.484 1.00 0.00 H new ATOM 0 HD11 ILE A 82 8.529 4.212 0.891 1.00 0.00 H new ATOM 0 HD12 ILE A 82 10.028 5.140 1.137 1.00 0.00 H new ATOM 0 HD13 ILE A 82 8.504 5.989 0.784 1.00 0.00 H new ATOM 1243 N ALA A 83 12.407 5.393 0.994 1.00 0.00 N ATOM 1244 CA ALA A 83 12.775 5.530 2.385 1.00 0.00 C ATOM 1245 C ALA A 83 14.259 5.791 2.500 1.00 0.00 C ATOM 1246 O ALA A 83 14.708 6.506 3.400 1.00 0.00 O ATOM 1247 CB ALA A 83 12.396 4.282 3.171 1.00 0.00 C ATOM 0 H ALA A 83 12.468 4.441 0.632 1.00 0.00 H new ATOM 0 HA ALA A 83 12.230 6.375 2.807 1.00 0.00 H new ATOM 0 HB1 ALA A 83 12.683 4.408 4.215 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.319 4.125 3.107 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.914 3.418 2.755 1.00 0.00 H new