USER MOD reduce.3.24.130724 H: found=0, std=0, add=488, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 488 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 39 ASN :FLIP amide:sc= 0.263 F(o=-3.7,f=-0.52) USER MOD Set 1.2: A 69 SER OG : rot -158:sc= -0.778! USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl 163:sc= -1.68 (180deg=-1.94) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 153:sc= -0.271 (180deg=-1.64!) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0.00563 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -2.1 K(o=-2.1,f=-6.8!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN :FLIP amide:sc= -0.487 F(o=-3.2!,f=-0.49) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -150:sc= -0.0317 (180deg=-0.713) USER MOD Single : A 44 SER OG : rot 42:sc= 1.03 USER MOD Single : A 49 GLN : amide:sc= -1.1 K(o=-1.1,f=-8!) USER MOD Single : A 50 LYS NZ :NH3+ -163:sc= -0.152 (180deg=-0.749) USER MOD Single : A 52 SER OG : rot -43:sc= 0.123 USER MOD Single : A 54 THR OG1 : rot -61:sc= 1.04 USER MOD Single : A 57 SER OG : rot 52:sc= 0.195 USER MOD Single : A 60 LYS NZ :NH3+ -159:sc= -0.444 (180deg=-0.835) USER MOD Single : A 66 ASN : amide:sc= -0.0368 K(o=-0.037,f=-0.66) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 12 N GLY A 3 -13.395 -1.067 8.598 1.00 0.00 N ATOM 13 CA GLY A 3 -12.509 -0.683 7.512 1.00 0.00 C ATOM 14 C GLY A 3 -11.079 -0.567 8.043 1.00 0.00 C ATOM 15 O GLY A 3 -10.898 -0.001 9.130 1.00 0.00 O ATOM 0 HA2 GLY A 3 -12.553 -1.422 6.712 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -12.829 0.268 7.085 1.00 0.00 H new ATOM 19 N LYS A 4 -10.108 -1.099 7.277 1.00 0.00 N ATOM 20 CA LYS A 4 -8.710 -1.056 7.669 1.00 0.00 C ATOM 21 C LYS A 4 -8.097 0.269 7.209 1.00 0.00 C ATOM 22 O LYS A 4 -8.824 1.083 6.623 1.00 0.00 O ATOM 23 CB LYS A 4 -7.970 -2.289 7.148 1.00 0.00 C ATOM 24 CG LYS A 4 -8.914 -3.486 7.030 1.00 0.00 C ATOM 25 CD LYS A 4 -9.538 -3.830 8.384 1.00 0.00 C ATOM 26 CE LYS A 4 -8.458 -4.130 9.424 1.00 0.00 C ATOM 27 NZ LYS A 4 -8.990 -5.005 10.482 1.00 0.00 N ATOM 0 H LYS A 4 -10.279 -1.561 6.384 1.00 0.00 H new ATOM 0 HA LYS A 4 -8.617 -1.092 8.754 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.532 -2.070 6.174 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.148 -2.535 7.820 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -9.701 -3.263 6.309 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.367 -4.348 6.648 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.156 -3.000 8.725 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -10.195 -4.693 8.277 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -7.605 -4.608 8.943 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -8.097 -3.199 9.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -8.244 -5.199 11.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -9.790 -4.535 10.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -9.313 -5.900 10.062 1.00 0.00 H new ATOM 41 N MET A 5 -6.792 0.453 7.479 1.00 0.00 N ATOM 42 CA MET A 5 -6.091 1.667 7.096 1.00 0.00 C ATOM 43 C MET A 5 -5.922 1.696 5.575 1.00 0.00 C ATOM 44 O MET A 5 -5.392 0.722 5.023 1.00 0.00 O ATOM 45 CB MET A 5 -4.716 1.722 7.764 1.00 0.00 C ATOM 46 CG MET A 5 -4.336 0.360 8.348 1.00 0.00 C ATOM 47 SD MET A 5 -5.199 0.099 9.926 1.00 0.00 S ATOM 48 CE MET A 5 -4.312 1.292 10.971 1.00 0.00 C ATOM 0 H MET A 5 -6.211 -0.232 7.962 1.00 0.00 H new ATOM 0 HA MET A 5 -6.673 2.529 7.420 1.00 0.00 H new ATOM 0 HB2 MET A 5 -3.966 2.032 7.036 1.00 0.00 H new ATOM 0 HB3 MET A 5 -4.722 2.472 8.555 1.00 0.00 H new ATOM 0 HG2 MET A 5 -4.597 -0.432 7.646 1.00 0.00 H new ATOM 0 HG3 MET A 5 -3.258 0.308 8.500 1.00 0.00 H new ATOM 0 HE1 MET A 5 -4.892 1.487 11.873 1.00 0.00 H new ATOM 0 HE2 MET A 5 -3.340 0.883 11.245 1.00 0.00 H new ATOM 0 HE3 MET A 5 -4.172 2.223 10.422 1.00 0.00 H new ATOM 58 N THR A 6 -6.370 2.795 4.941 1.00 0.00 N ATOM 59 CA THR A 6 -6.270 2.945 3.499 1.00 0.00 C ATOM 60 C THR A 6 -4.878 3.474 3.143 1.00 0.00 C ATOM 61 O THR A 6 -4.236 4.076 4.015 1.00 0.00 O ATOM 62 CB THR A 6 -7.406 3.850 3.020 1.00 0.00 C ATOM 63 OG1 THR A 6 -7.064 5.136 3.533 1.00 0.00 O ATOM 64 CG2 THR A 6 -8.739 3.523 3.698 1.00 0.00 C ATOM 0 H THR A 6 -6.804 3.587 5.416 1.00 0.00 H new ATOM 0 HA THR A 6 -6.382 1.989 2.987 1.00 0.00 H new ATOM 0 HB THR A 6 -7.514 3.757 1.939 1.00 0.00 H new ATOM 0 HG1 THR A 6 -7.747 5.786 3.268 1.00 0.00 H new ATOM 0 HG21 THR A 6 -9.512 4.194 3.323 1.00 0.00 H new ATOM 0 HG22 THR A 6 -9.016 2.492 3.478 1.00 0.00 H new ATOM 0 HG23 THR A 6 -8.640 3.650 4.776 1.00 0.00 H new ATOM 72 N GLY A 7 -4.450 3.246 1.887 1.00 0.00 N ATOM 73 CA GLY A 7 -3.149 3.697 1.424 1.00 0.00 C ATOM 74 C GLY A 7 -2.918 3.190 -0.001 1.00 0.00 C ATOM 75 O GLY A 7 -3.255 2.029 -0.276 1.00 0.00 O ATOM 0 H GLY A 7 -4.997 2.750 1.183 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.099 4.786 1.448 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.366 3.327 2.086 1.00 0.00 H new ATOM 79 N ILE A 8 -2.354 4.054 -0.864 1.00 0.00 N ATOM 80 CA ILE A 8 -2.082 3.695 -2.245 1.00 0.00 C ATOM 81 C ILE A 8 -0.635 3.210 -2.364 1.00 0.00 C ATOM 82 O ILE A 8 0.137 3.417 -1.418 1.00 0.00 O ATOM 83 CB ILE A 8 -2.417 4.861 -3.178 1.00 0.00 C ATOM 84 CG1 ILE A 8 -1.153 5.633 -3.566 1.00 0.00 C ATOM 85 CG2 ILE A 8 -3.476 5.774 -2.556 1.00 0.00 C ATOM 86 CD1 ILE A 8 -0.550 6.345 -2.354 1.00 0.00 C ATOM 0 H ILE A 8 -2.081 5.005 -0.617 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.724 2.871 -2.558 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.841 4.453 -4.096 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.420 4.947 -3.991 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -1.392 6.363 -4.339 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.696 6.594 -3.239 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.385 5.203 -2.371 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.102 6.176 -1.615 1.00 0.00 H new ATOM 0 HD11 ILE A 8 0.346 6.885 -2.658 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -1.277 7.048 -1.946 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.290 5.610 -1.593 1.00 0.00 H new ATOM 98 N VAL A 9 -0.304 2.582 -3.508 1.00 0.00 N ATOM 99 CA VAL A 9 1.036 2.072 -3.746 1.00 0.00 C ATOM 100 C VAL A 9 1.712 2.913 -4.829 1.00 0.00 C ATOM 101 O VAL A 9 1.009 3.381 -5.737 1.00 0.00 O ATOM 102 CB VAL A 9 0.974 0.584 -4.095 1.00 0.00 C ATOM 103 CG1 VAL A 9 1.072 -0.280 -2.835 1.00 0.00 C ATOM 104 CG2 VAL A 9 -0.293 0.258 -4.887 1.00 0.00 C ATOM 0 H VAL A 9 -0.956 2.421 -4.276 1.00 0.00 H new ATOM 0 HA VAL A 9 1.643 2.156 -2.845 1.00 0.00 H new ATOM 0 HB VAL A 9 1.832 0.353 -4.727 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.025 -1.333 -3.112 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.016 -0.079 -2.329 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.244 -0.043 -2.166 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.312 -0.806 -5.122 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.170 0.514 -4.292 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.302 0.834 -5.812 1.00 0.00 H new ATOM 114 N LYS A 10 3.041 3.089 -4.715 1.00 0.00 N ATOM 115 CA LYS A 10 3.801 3.868 -5.676 1.00 0.00 C ATOM 116 C LYS A 10 4.795 2.951 -6.395 1.00 0.00 C ATOM 117 O LYS A 10 4.722 2.855 -7.629 1.00 0.00 O ATOM 118 CB LYS A 10 4.455 5.072 -4.995 1.00 0.00 C ATOM 119 CG LYS A 10 3.407 6.110 -4.593 1.00 0.00 C ATOM 120 CD LYS A 10 2.940 6.916 -5.806 1.00 0.00 C ATOM 121 CE LYS A 10 2.632 8.364 -5.416 1.00 0.00 C ATOM 122 NZ LYS A 10 3.800 8.982 -4.767 1.00 0.00 N ATOM 0 H LYS A 10 3.602 2.695 -3.959 1.00 0.00 H new ATOM 0 HA LYS A 10 3.141 4.284 -6.437 1.00 0.00 H new ATOM 0 HB2 LYS A 10 5.002 4.742 -4.112 1.00 0.00 H new ATOM 0 HB3 LYS A 10 5.181 5.526 -5.669 1.00 0.00 H new ATOM 0 HG2 LYS A 10 2.554 5.611 -4.133 1.00 0.00 H new ATOM 0 HG3 LYS A 10 3.825 6.783 -3.844 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.710 6.899 -6.577 1.00 0.00 H new ATOM 0 HD3 LYS A 10 2.051 6.454 -6.234 1.00 0.00 H new ATOM 0 HE2 LYS A 10 2.357 8.935 -6.303 1.00 0.00 H new ATOM 0 HE3 LYS A 10 1.777 8.391 -4.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 3.776 10.011 -4.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 3.778 8.780 -3.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 4.672 8.592 -5.178 1.00 0.00 H new ATOM 136 N TRP A 11 5.689 2.310 -5.622 1.00 0.00 N ATOM 137 CA TRP A 11 6.686 1.412 -6.181 1.00 0.00 C ATOM 138 C TRP A 11 6.546 0.035 -5.531 1.00 0.00 C ATOM 139 O TRP A 11 6.481 -0.030 -4.295 1.00 0.00 O ATOM 140 CB TRP A 11 8.085 2.009 -6.023 1.00 0.00 C ATOM 141 CG TRP A 11 8.111 3.539 -6.012 1.00 0.00 C ATOM 142 CD1 TRP A 11 7.795 4.363 -5.003 1.00 0.00 C ATOM 143 CD2 TRP A 11 8.487 4.401 -7.107 1.00 0.00 C ATOM 144 NE1 TRP A 11 7.939 5.686 -5.366 1.00 0.00 N ATOM 145 CE2 TRP A 11 8.374 5.710 -6.686 1.00 0.00 C ATOM 146 CE3 TRP A 11 8.911 4.085 -8.411 1.00 0.00 C ATOM 147 CZ2 TRP A 11 8.665 6.807 -7.507 1.00 0.00 C ATOM 148 CZ3 TRP A 11 9.197 5.191 -9.218 1.00 0.00 C ATOM 149 CH2 TRP A 11 9.089 6.515 -8.809 1.00 0.00 C ATOM 0 H TRP A 11 5.732 2.405 -4.607 1.00 0.00 H new ATOM 0 HA TRP A 11 6.525 1.286 -7.252 1.00 0.00 H new ATOM 0 HB2 TRP A 11 8.523 1.642 -5.095 1.00 0.00 H new ATOM 0 HB3 TRP A 11 8.716 1.651 -6.837 1.00 0.00 H new ATOM 0 HD1 TRP A 11 7.469 4.032 -4.028 1.00 0.00 H new ATOM 0 HE1 TRP A 11 7.759 6.497 -4.775 1.00 0.00 H new ATOM 0 HE3 TRP A 11 9.008 3.068 -8.761 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 8.568 7.823 -7.155 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 9.525 5.003 -10.230 1.00 0.00 H new ATOM 0 HH2 TRP A 11 9.331 7.315 -9.493 1.00 0.00 H new ATOM 160 N PHE A 12 6.505 -1.022 -6.361 1.00 0.00 N ATOM 161 CA PHE A 12 6.376 -2.384 -5.870 1.00 0.00 C ATOM 162 C PHE A 12 7.711 -3.112 -6.040 1.00 0.00 C ATOM 163 O PHE A 12 8.473 -2.742 -6.945 1.00 0.00 O ATOM 164 CB PHE A 12 5.258 -3.101 -6.651 1.00 0.00 C ATOM 165 CG PHE A 12 5.690 -4.388 -7.340 1.00 0.00 C ATOM 166 CD1 PHE A 12 6.795 -4.392 -8.220 1.00 0.00 C ATOM 167 CD2 PHE A 12 4.979 -5.590 -7.105 1.00 0.00 C ATOM 168 CE1 PHE A 12 7.190 -5.587 -8.860 1.00 0.00 C ATOM 169 CE2 PHE A 12 5.374 -6.784 -7.745 1.00 0.00 C ATOM 170 CZ PHE A 12 6.480 -6.782 -8.622 1.00 0.00 C ATOM 0 H PHE A 12 6.560 -0.947 -7.377 1.00 0.00 H new ATOM 0 HA PHE A 12 6.115 -2.379 -4.812 1.00 0.00 H new ATOM 0 HB2 PHE A 12 4.442 -3.328 -5.965 1.00 0.00 H new ATOM 0 HB3 PHE A 12 4.862 -2.418 -7.402 1.00 0.00 H new ATOM 0 HD1 PHE A 12 7.340 -3.478 -8.404 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.132 -5.593 -6.434 1.00 0.00 H new ATOM 0 HE1 PHE A 12 8.036 -5.586 -9.532 1.00 0.00 H new ATOM 0 HE2 PHE A 12 4.830 -7.699 -7.564 1.00 0.00 H new ATOM 0 HZ PHE A 12 6.783 -7.696 -9.111 1.00 0.00 H new ATOM 180 N ASN A 13 7.962 -4.117 -5.184 1.00 0.00 N ATOM 181 CA ASN A 13 9.193 -4.888 -5.240 1.00 0.00 C ATOM 182 C ASN A 13 8.887 -6.352 -4.916 1.00 0.00 C ATOM 183 O ASN A 13 8.653 -6.660 -3.739 1.00 0.00 O ATOM 184 CB ASN A 13 10.209 -4.379 -4.217 1.00 0.00 C ATOM 185 CG ASN A 13 11.222 -3.439 -4.871 1.00 0.00 C ATOM 186 OD1 ASN A 13 12.097 -3.850 -5.617 1.00 0.00 O ATOM 187 ND2 ASN A 13 11.057 -2.158 -4.553 1.00 0.00 N ATOM 0 H ASN A 13 7.320 -4.407 -4.447 1.00 0.00 H new ATOM 0 HA ASN A 13 9.610 -4.786 -6.242 1.00 0.00 H new ATOM 0 HB2 ASN A 13 9.690 -3.857 -3.413 1.00 0.00 H new ATOM 0 HB3 ASN A 13 10.730 -5.223 -3.766 1.00 0.00 H new ATOM 0 HD21 ASN A 13 11.683 -1.452 -4.940 1.00 0.00 H new ATOM 0 HD22 ASN A 13 10.304 -1.882 -3.923 1.00 0.00 H new ATOM 194 N ALA A 14 8.897 -7.213 -5.951 1.00 0.00 N ATOM 195 CA ALA A 14 8.623 -8.629 -5.776 1.00 0.00 C ATOM 196 C ALA A 14 9.932 -9.413 -5.882 1.00 0.00 C ATOM 197 O ALA A 14 9.875 -10.651 -5.946 1.00 0.00 O ATOM 198 CB ALA A 14 7.732 -9.126 -6.918 1.00 0.00 C ATOM 0 H ALA A 14 9.094 -6.940 -6.914 1.00 0.00 H new ATOM 0 HA ALA A 14 8.144 -8.771 -4.807 1.00 0.00 H new ATOM 0 HB1 ALA A 14 7.528 -10.188 -6.784 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.793 -8.573 -6.914 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.240 -8.971 -7.870 1.00 0.00 H new ATOM 204 N ASP A 15 11.066 -8.691 -5.895 1.00 0.00 N ATOM 205 CA ASP A 15 12.375 -9.315 -5.991 1.00 0.00 C ATOM 206 C ASP A 15 12.784 -9.846 -4.616 1.00 0.00 C ATOM 207 O ASP A 15 13.496 -10.861 -4.563 1.00 0.00 O ATOM 208 CB ASP A 15 13.434 -8.308 -6.442 1.00 0.00 C ATOM 209 CG ASP A 15 14.882 -8.739 -6.199 1.00 0.00 C ATOM 210 OD1 ASP A 15 15.354 -8.774 -5.052 1.00 0.00 O ATOM 211 OD2 ASP A 15 15.544 -9.051 -7.261 1.00 0.00 O ATOM 0 H ASP A 15 11.090 -7.673 -5.840 1.00 0.00 H new ATOM 0 HA ASP A 15 12.311 -10.122 -6.721 1.00 0.00 H new ATOM 0 HB2 ASP A 15 13.302 -8.117 -7.507 1.00 0.00 H new ATOM 0 HB3 ASP A 15 13.260 -7.364 -5.925 1.00 0.00 H new ATOM 216 N LYS A 16 12.335 -9.162 -3.548 1.00 0.00 N ATOM 217 CA LYS A 16 12.652 -9.564 -2.188 1.00 0.00 C ATOM 218 C LYS A 16 11.366 -9.611 -1.362 1.00 0.00 C ATOM 219 O LYS A 16 11.362 -10.273 -0.313 1.00 0.00 O ATOM 220 CB LYS A 16 13.728 -8.650 -1.597 1.00 0.00 C ATOM 221 CG LYS A 16 13.346 -7.177 -1.759 1.00 0.00 C ATOM 222 CD LYS A 16 14.443 -6.262 -1.209 1.00 0.00 C ATOM 223 CE LYS A 16 14.044 -4.791 -1.339 1.00 0.00 C ATOM 224 NZ LYS A 16 15.000 -3.933 -0.617 1.00 0.00 N ATOM 0 H LYS A 16 11.751 -8.328 -3.613 1.00 0.00 H new ATOM 0 HA LYS A 16 13.076 -10.568 -2.177 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.865 -8.880 -0.540 1.00 0.00 H new ATOM 0 HB3 LYS A 16 14.681 -8.838 -2.090 1.00 0.00 H new ATOM 0 HG2 LYS A 16 13.177 -6.955 -2.813 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.409 -6.981 -1.238 1.00 0.00 H new ATOM 0 HD2 LYS A 16 14.630 -6.501 -0.162 1.00 0.00 H new ATOM 0 HD3 LYS A 16 15.374 -6.439 -1.748 1.00 0.00 H new ATOM 0 HE2 LYS A 16 14.014 -4.507 -2.391 1.00 0.00 H new ATOM 0 HE3 LYS A 16 13.040 -4.643 -0.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 14.715 -2.937 -0.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 15.008 -4.193 0.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 15.952 -4.062 -1.016 1.00 0.00 H new ATOM 238 N GLY A 17 10.315 -8.922 -1.842 1.00 0.00 N ATOM 239 CA GLY A 17 9.036 -8.887 -1.152 1.00 0.00 C ATOM 240 C GLY A 17 9.038 -7.737 -0.141 1.00 0.00 C ATOM 241 O GLY A 17 8.963 -8.013 1.064 1.00 0.00 O ATOM 0 H GLY A 17 10.338 -8.384 -2.708 1.00 0.00 H new ATOM 0 HA2 GLY A 17 8.226 -8.754 -1.869 1.00 0.00 H new ATOM 0 HA3 GLY A 17 8.859 -9.834 -0.643 1.00 0.00 H new ATOM 245 N PHE A 18 9.122 -6.492 -0.645 1.00 0.00 N ATOM 246 CA PHE A 18 9.132 -5.317 0.208 1.00 0.00 C ATOM 247 C PHE A 18 8.400 -4.174 -0.498 1.00 0.00 C ATOM 248 O PHE A 18 8.814 -3.017 -0.331 1.00 0.00 O ATOM 249 CB PHE A 18 10.592 -4.925 0.514 1.00 0.00 C ATOM 250 CG PHE A 18 11.129 -5.459 1.836 1.00 0.00 C ATOM 251 CD1 PHE A 18 11.368 -6.843 2.003 1.00 0.00 C ATOM 252 CD2 PHE A 18 11.383 -4.572 2.908 1.00 0.00 C ATOM 253 CE1 PHE A 18 11.860 -7.334 3.231 1.00 0.00 C ATOM 254 CE2 PHE A 18 11.876 -5.064 4.134 1.00 0.00 C ATOM 255 CZ PHE A 18 12.115 -6.445 4.296 1.00 0.00 C ATOM 0 H PHE A 18 9.184 -6.287 -1.642 1.00 0.00 H new ATOM 0 HA PHE A 18 8.622 -5.529 1.148 1.00 0.00 H new ATOM 0 HB2 PHE A 18 11.228 -5.286 -0.294 1.00 0.00 H new ATOM 0 HB3 PHE A 18 10.669 -3.838 0.518 1.00 0.00 H new ATOM 0 HD1 PHE A 18 11.174 -7.525 1.189 1.00 0.00 H new ATOM 0 HD2 PHE A 18 11.199 -3.515 2.787 1.00 0.00 H new ATOM 0 HE1 PHE A 18 12.041 -8.391 3.356 1.00 0.00 H new ATOM 0 HE2 PHE A 18 12.071 -4.383 4.950 1.00 0.00 H new ATOM 0 HZ PHE A 18 12.493 -6.821 5.235 1.00 0.00 H new ATOM 265 N GLY A 19 7.345 -4.513 -1.259 1.00 0.00 N ATOM 266 CA GLY A 19 6.566 -3.522 -1.982 1.00 0.00 C ATOM 267 C GLY A 19 6.524 -2.225 -1.173 1.00 0.00 C ATOM 268 O GLY A 19 6.206 -2.287 0.025 1.00 0.00 O ATOM 0 H GLY A 19 7.020 -5.472 -1.382 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.008 -3.339 -2.962 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.555 -3.891 -2.152 1.00 0.00 H new ATOM 272 N PHE A 20 6.839 -1.095 -1.831 1.00 0.00 N ATOM 273 CA PHE A 20 6.836 0.203 -1.177 1.00 0.00 C ATOM 274 C PHE A 20 5.453 0.840 -1.321 1.00 0.00 C ATOM 275 O PHE A 20 5.094 1.221 -2.446 1.00 0.00 O ATOM 276 CB PHE A 20 7.919 1.096 -1.815 1.00 0.00 C ATOM 277 CG PHE A 20 9.026 1.530 -0.864 1.00 0.00 C ATOM 278 CD1 PHE A 20 9.862 0.564 -0.259 1.00 0.00 C ATOM 279 CD2 PHE A 20 9.228 2.902 -0.584 1.00 0.00 C ATOM 280 CE1 PHE A 20 10.890 0.965 0.619 1.00 0.00 C ATOM 281 CE2 PHE A 20 10.257 3.302 0.296 1.00 0.00 C ATOM 282 CZ PHE A 20 11.088 2.333 0.897 1.00 0.00 C ATOM 0 H PHE A 20 7.098 -1.067 -2.817 1.00 0.00 H new ATOM 0 HA PHE A 20 7.057 0.089 -0.116 1.00 0.00 H new ATOM 0 HB2 PHE A 20 8.367 0.560 -2.652 1.00 0.00 H new ATOM 0 HB3 PHE A 20 7.442 1.986 -2.226 1.00 0.00 H new ATOM 0 HD1 PHE A 20 9.713 -0.485 -0.470 1.00 0.00 H new ATOM 0 HD2 PHE A 20 8.594 3.645 -1.044 1.00 0.00 H new ATOM 0 HE1 PHE A 20 11.526 0.223 1.079 1.00 0.00 H new ATOM 0 HE2 PHE A 20 10.408 4.350 0.509 1.00 0.00 H new ATOM 0 HZ PHE A 20 11.875 2.639 1.570 1.00 0.00 H new ATOM 292 N ILE A 21 4.717 0.941 -0.201 1.00 0.00 N ATOM 293 CA ILE A 21 3.387 1.527 -0.203 1.00 0.00 C ATOM 294 C ILE A 21 3.466 2.964 0.314 1.00 0.00 C ATOM 295 O ILE A 21 4.483 3.315 0.929 1.00 0.00 O ATOM 296 CB ILE A 21 2.411 0.644 0.578 1.00 0.00 C ATOM 297 CG1 ILE A 21 2.569 -0.826 0.190 1.00 0.00 C ATOM 298 CG2 ILE A 21 0.971 1.132 0.406 1.00 0.00 C ATOM 299 CD1 ILE A 21 1.221 -1.549 0.217 1.00 0.00 C ATOM 0 H ILE A 21 5.032 0.620 0.715 1.00 0.00 H new ATOM 0 HA ILE A 21 2.994 1.575 -1.218 1.00 0.00 H new ATOM 0 HB ILE A 21 2.653 0.724 1.638 1.00 0.00 H new ATOM 0 HG12 ILE A 21 3.004 -0.898 -0.807 1.00 0.00 H new ATOM 0 HG13 ILE A 21 3.261 -1.314 0.876 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.298 0.487 0.971 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.887 2.155 0.773 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.700 1.102 -0.649 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.362 -2.593 -0.063 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.800 -1.496 1.221 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.539 -1.073 -0.488 1.00 0.00 H new ATOM 311 N THR A 22 2.408 3.756 0.059 1.00 0.00 N ATOM 312 CA THR A 22 2.359 5.140 0.495 1.00 0.00 C ATOM 313 C THR A 22 1.055 5.383 1.260 1.00 0.00 C ATOM 314 O THR A 22 -0.013 5.332 0.634 1.00 0.00 O ATOM 315 CB THR A 22 2.524 6.044 -0.727 1.00 0.00 C ATOM 316 OG1 THR A 22 3.933 6.223 -0.839 1.00 0.00 O ATOM 317 CG2 THR A 22 1.988 7.457 -0.488 1.00 0.00 C ATOM 0 H THR A 22 1.579 3.448 -0.449 1.00 0.00 H new ATOM 0 HA THR A 22 3.172 5.373 1.182 1.00 0.00 H new ATOM 0 HB THR A 22 2.009 5.599 -1.578 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.130 6.797 -1.609 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.130 8.057 -1.387 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.926 7.408 -0.249 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.526 7.915 0.342 1.00 0.00 H new ATOM 325 N PRO A 23 1.168 5.637 2.576 1.00 0.00 N ATOM 326 CA PRO A 23 0.031 5.891 3.445 1.00 0.00 C ATOM 327 C PRO A 23 -0.533 7.294 3.215 1.00 0.00 C ATOM 328 O PRO A 23 -0.045 7.984 2.308 1.00 0.00 O ATOM 329 CB PRO A 23 0.558 5.685 4.855 1.00 0.00 C ATOM 330 CG PRO A 23 2.072 5.782 4.751 1.00 0.00 C ATOM 331 CD PRO A 23 2.446 5.688 3.281 1.00 0.00 C ATOM 0 HA PRO A 23 -0.807 5.222 3.247 1.00 0.00 H new ATOM 0 HB2 PRO A 23 0.164 6.441 5.534 1.00 0.00 H new ATOM 0 HB3 PRO A 23 0.255 4.715 5.248 1.00 0.00 H new ATOM 0 HG2 PRO A 23 2.424 6.722 5.175 1.00 0.00 H new ATOM 0 HG3 PRO A 23 2.546 4.980 5.317 1.00 0.00 H new ATOM 0 HD2 PRO A 23 3.037 6.548 2.967 1.00 0.00 H new ATOM 0 HD3 PRO A 23 3.045 4.799 3.081 1.00 0.00 H new ATOM 339 N ASP A 24 -1.532 7.681 4.027 1.00 0.00 N ATOM 340 CA ASP A 24 -2.154 8.991 3.913 1.00 0.00 C ATOM 341 C ASP A 24 -1.484 9.955 4.895 1.00 0.00 C ATOM 342 O ASP A 24 -1.276 11.120 4.525 1.00 0.00 O ATOM 343 CB ASP A 24 -3.643 8.925 4.257 1.00 0.00 C ATOM 344 CG ASP A 24 -3.972 8.223 5.576 1.00 0.00 C ATOM 345 OD1 ASP A 24 -3.240 7.325 6.021 1.00 0.00 O ATOM 346 OD2 ASP A 24 -5.043 8.636 6.163 1.00 0.00 O ATOM 0 H ASP A 24 -1.919 7.096 4.768 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.036 9.333 2.885 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.037 9.941 4.295 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.165 8.411 3.449 1.00 0.00 H new ATOM 351 N ASP A 25 -1.166 9.460 6.104 1.00 0.00 N ATOM 352 CA ASP A 25 -0.527 10.273 7.124 1.00 0.00 C ATOM 353 C ASP A 25 0.036 9.362 8.217 1.00 0.00 C ATOM 354 O ASP A 25 0.652 9.882 9.160 1.00 0.00 O ATOM 355 CB ASP A 25 -1.528 11.228 7.776 1.00 0.00 C ATOM 356 CG ASP A 25 -2.691 10.550 8.503 1.00 0.00 C ATOM 357 OD1 ASP A 25 -3.522 9.926 7.740 1.00 0.00 O ATOM 358 OD2 ASP A 25 -2.795 10.615 9.738 1.00 0.00 O ATOM 0 H ASP A 25 -1.346 8.497 6.388 1.00 0.00 H new ATOM 0 HA ASP A 25 0.264 10.851 6.647 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -0.995 11.860 8.486 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -1.934 11.885 7.007 1.00 0.00 H new ATOM 363 N GLY A 26 -0.182 8.043 8.073 1.00 0.00 N ATOM 364 CA GLY A 26 0.299 7.071 9.041 1.00 0.00 C ATOM 365 C GLY A 26 1.759 6.732 8.731 1.00 0.00 C ATOM 366 O GLY A 26 2.007 5.653 8.174 1.00 0.00 O ATOM 0 H GLY A 26 -0.691 7.635 7.289 1.00 0.00 H new ATOM 0 HA2 GLY A 26 0.213 7.472 10.051 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -0.312 6.169 9.003 1.00 0.00 H new ATOM 370 N SER A 27 2.679 7.643 9.095 1.00 0.00 N ATOM 371 CA SER A 27 4.098 7.439 8.858 1.00 0.00 C ATOM 372 C SER A 27 4.412 7.724 7.387 1.00 0.00 C ATOM 373 O SER A 27 3.575 8.344 6.716 1.00 0.00 O ATOM 374 CB SER A 27 4.530 6.019 9.227 1.00 0.00 C ATOM 375 OG SER A 27 5.882 5.973 9.680 1.00 0.00 O ATOM 0 H SER A 27 2.453 8.525 9.554 1.00 0.00 H new ATOM 0 HA SER A 27 4.656 8.126 9.493 1.00 0.00 H new ATOM 0 HB2 SER A 27 3.873 5.631 10.006 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.416 5.368 8.360 1.00 0.00 H new ATOM 0 HG SER A 27 6.120 5.050 9.907 1.00 0.00 H new ATOM 381 N LYS A 28 5.591 7.274 6.925 1.00 0.00 N ATOM 382 CA LYS A 28 6.008 7.478 5.547 1.00 0.00 C ATOM 383 C LYS A 28 5.918 6.153 4.789 1.00 0.00 C ATOM 384 O LYS A 28 5.355 5.196 5.340 1.00 0.00 O ATOM 385 CB LYS A 28 7.394 8.123 5.498 1.00 0.00 C ATOM 386 CG LYS A 28 7.600 9.074 6.679 1.00 0.00 C ATOM 387 CD LYS A 28 6.547 10.183 6.679 1.00 0.00 C ATOM 388 CE LYS A 28 7.172 11.533 6.319 1.00 0.00 C ATOM 389 NZ LYS A 28 6.226 12.346 5.538 1.00 0.00 N ATOM 0 H LYS A 28 6.267 6.766 7.496 1.00 0.00 H new ATOM 0 HA LYS A 28 5.339 8.177 5.045 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.160 7.348 5.513 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.512 8.669 4.562 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.546 8.516 7.614 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.596 9.513 6.627 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.759 9.941 5.966 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.079 10.245 7.662 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.453 12.064 7.228 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.086 11.376 5.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.665 13.259 5.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.978 11.844 4.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.365 12.511 6.098 1.00 0.00 H new ATOM 403 N ASP A 29 6.466 6.123 3.561 1.00 0.00 N ATOM 404 CA ASP A 29 6.449 4.925 2.739 1.00 0.00 C ATOM 405 C ASP A 29 6.794 3.712 3.605 1.00 0.00 C ATOM 406 O ASP A 29 7.812 3.760 4.309 1.00 0.00 O ATOM 407 CB ASP A 29 7.482 5.014 1.615 1.00 0.00 C ATOM 408 CG ASP A 29 8.755 5.786 1.967 1.00 0.00 C ATOM 409 OD1 ASP A 29 9.641 5.273 2.668 1.00 0.00 O ATOM 410 OD2 ASP A 29 8.820 6.981 1.485 1.00 0.00 O ATOM 0 H ASP A 29 6.925 6.923 3.125 1.00 0.00 H new ATOM 0 HA ASP A 29 5.453 4.827 2.306 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.759 4.003 1.316 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.016 5.486 0.750 1.00 0.00 H new ATOM 415 N VAL A 30 5.951 2.665 3.538 1.00 0.00 N ATOM 416 CA VAL A 30 6.166 1.453 4.309 1.00 0.00 C ATOM 417 C VAL A 30 6.335 0.269 3.355 1.00 0.00 C ATOM 418 O VAL A 30 5.626 0.224 2.339 1.00 0.00 O ATOM 419 CB VAL A 30 5.022 1.258 5.306 1.00 0.00 C ATOM 420 CG1 VAL A 30 5.245 2.095 6.566 1.00 0.00 C ATOM 421 CG2 VAL A 30 3.672 1.584 4.663 1.00 0.00 C ATOM 0 H VAL A 30 5.116 2.646 2.953 1.00 0.00 H new ATOM 0 HA VAL A 30 7.082 1.531 4.895 1.00 0.00 H new ATOM 0 HB VAL A 30 5.008 0.208 5.599 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.418 1.938 7.258 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.178 1.794 7.042 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.298 3.150 6.297 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.876 1.437 5.393 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.670 2.621 4.328 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.507 0.926 3.810 1.00 0.00 H new ATOM 431 N PHE A 31 7.257 -0.651 3.694 1.00 0.00 N ATOM 432 CA PHE A 31 7.514 -1.821 2.873 1.00 0.00 C ATOM 433 C PHE A 31 6.600 -2.964 3.320 1.00 0.00 C ATOM 434 O PHE A 31 6.225 -2.991 4.501 1.00 0.00 O ATOM 435 CB PHE A 31 8.996 -2.222 3.009 1.00 0.00 C ATOM 436 CG PHE A 31 9.434 -2.560 4.429 1.00 0.00 C ATOM 437 CD1 PHE A 31 9.044 -3.783 5.023 1.00 0.00 C ATOM 438 CD2 PHE A 31 10.229 -1.650 5.162 1.00 0.00 C ATOM 439 CE1 PHE A 31 9.448 -4.093 6.339 1.00 0.00 C ATOM 440 CE2 PHE A 31 10.632 -1.960 6.477 1.00 0.00 C ATOM 441 CZ PHE A 31 10.242 -3.182 7.066 1.00 0.00 C ATOM 0 H PHE A 31 7.831 -0.595 4.535 1.00 0.00 H new ATOM 0 HA PHE A 31 7.307 -1.598 1.826 1.00 0.00 H new ATOM 0 HB2 PHE A 31 9.186 -3.084 2.369 1.00 0.00 H new ATOM 0 HB3 PHE A 31 9.615 -1.406 2.636 1.00 0.00 H new ATOM 0 HD1 PHE A 31 8.435 -4.481 4.468 1.00 0.00 H new ATOM 0 HD2 PHE A 31 10.529 -0.714 4.713 1.00 0.00 H new ATOM 0 HE1 PHE A 31 9.149 -5.028 6.790 1.00 0.00 H new ATOM 0 HE2 PHE A 31 11.239 -1.262 7.034 1.00 0.00 H new ATOM 0 HZ PHE A 31 10.552 -3.419 8.073 1.00 0.00 H new ATOM 451 N VAL A 32 6.265 -3.870 2.385 1.00 0.00 N ATOM 452 CA VAL A 32 5.404 -5.001 2.682 1.00 0.00 C ATOM 453 C VAL A 32 5.727 -6.148 1.720 1.00 0.00 C ATOM 454 O VAL A 32 6.064 -5.867 0.560 1.00 0.00 O ATOM 455 CB VAL A 32 3.938 -4.570 2.627 1.00 0.00 C ATOM 456 CG1 VAL A 32 3.743 -3.405 1.655 1.00 0.00 C ATOM 457 CG2 VAL A 32 3.032 -5.748 2.258 1.00 0.00 C ATOM 0 H VAL A 32 6.585 -3.830 1.417 1.00 0.00 H new ATOM 0 HA VAL A 32 5.584 -5.364 3.694 1.00 0.00 H new ATOM 0 HB VAL A 32 3.654 -4.227 3.622 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.691 -3.119 1.636 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.344 -2.556 1.980 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.055 -3.709 0.656 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.995 -5.413 2.226 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.319 -6.135 1.280 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.136 -6.535 3.005 1.00 0.00 H new ATOM 467 N HIS A 33 5.618 -7.394 2.211 1.00 0.00 N ATOM 468 CA HIS A 33 5.896 -8.569 1.403 1.00 0.00 C ATOM 469 C HIS A 33 4.678 -8.881 0.529 1.00 0.00 C ATOM 470 O HIS A 33 3.560 -8.896 1.062 1.00 0.00 O ATOM 471 CB HIS A 33 6.315 -9.750 2.279 1.00 0.00 C ATOM 472 CG HIS A 33 6.949 -10.888 1.513 1.00 0.00 C ATOM 473 ND1 HIS A 33 6.924 -10.967 0.132 1.00 0.00 N ATOM 474 CD2 HIS A 33 7.625 -11.990 1.950 1.00 0.00 C ATOM 475 CE1 HIS A 33 7.559 -12.071 -0.236 1.00 0.00 C ATOM 476 NE2 HIS A 33 7.990 -12.703 0.893 1.00 0.00 N ATOM 0 H HIS A 33 5.337 -7.602 3.169 1.00 0.00 H new ATOM 0 HA HIS A 33 6.740 -8.371 0.742 1.00 0.00 H new ATOM 0 HB2 HIS A 33 7.018 -9.398 3.034 1.00 0.00 H new ATOM 0 HB3 HIS A 33 5.439 -10.125 2.809 1.00 0.00 H new ATOM 0 HD2 HIS A 33 7.828 -12.239 2.981 1.00 0.00 H new ATOM 0 HE1 HIS A 33 7.709 -12.410 -1.250 1.00 0.00 H new ATOM 0 HE2 HIS A 33 8.509 -13.581 0.920 1.00 0.00 H new ATOM 484 N PHE A 34 4.916 -9.119 -0.773 1.00 0.00 N ATOM 485 CA PHE A 34 3.847 -9.427 -1.708 1.00 0.00 C ATOM 486 C PHE A 34 3.318 -10.834 -1.423 1.00 0.00 C ATOM 487 O PHE A 34 3.118 -11.593 -2.384 1.00 0.00 O ATOM 488 CB PHE A 34 4.387 -9.326 -3.147 1.00 0.00 C ATOM 489 CG PHE A 34 4.740 -7.914 -3.595 1.00 0.00 C ATOM 490 CD1 PHE A 34 4.079 -6.802 -3.023 1.00 0.00 C ATOM 491 CD2 PHE A 34 5.733 -7.704 -4.581 1.00 0.00 C ATOM 492 CE1 PHE A 34 4.408 -5.493 -3.433 1.00 0.00 C ATOM 493 CE2 PHE A 34 6.061 -6.394 -4.990 1.00 0.00 C ATOM 494 CZ PHE A 34 5.398 -5.289 -4.417 1.00 0.00 C ATOM 0 H PHE A 34 5.846 -9.101 -1.192 1.00 0.00 H new ATOM 0 HA PHE A 34 3.028 -8.717 -1.592 1.00 0.00 H new ATOM 0 HB2 PHE A 34 5.275 -9.953 -3.233 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.642 -9.734 -3.830 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.320 -6.956 -2.270 1.00 0.00 H new ATOM 0 HD2 PHE A 34 6.241 -8.549 -5.022 1.00 0.00 H new ATOM 0 HE1 PHE A 34 3.902 -4.646 -2.993 1.00 0.00 H new ATOM 0 HE2 PHE A 34 6.820 -6.237 -5.742 1.00 0.00 H new ATOM 0 HZ PHE A 34 5.648 -4.287 -4.732 1.00 0.00 H new ATOM 504 N SER A 35 3.105 -11.148 -0.133 1.00 0.00 N ATOM 505 CA SER A 35 2.604 -12.452 0.269 1.00 0.00 C ATOM 506 C SER A 35 1.157 -12.312 0.743 1.00 0.00 C ATOM 507 O SER A 35 0.545 -13.337 1.082 1.00 0.00 O ATOM 508 CB SER A 35 3.468 -13.068 1.372 1.00 0.00 C ATOM 509 OG SER A 35 3.388 -14.491 1.380 1.00 0.00 O ATOM 0 H SER A 35 3.276 -10.508 0.642 1.00 0.00 H new ATOM 0 HA SER A 35 2.646 -13.120 -0.591 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.505 -12.764 1.232 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.150 -12.681 2.340 1.00 0.00 H new ATOM 0 HG SER A 35 3.954 -14.846 2.097 1.00 0.00 H new ATOM 515 N ALA A 36 0.645 -11.068 0.758 1.00 0.00 N ATOM 516 CA ALA A 36 -0.718 -10.802 1.188 1.00 0.00 C ATOM 517 C ALA A 36 -1.387 -9.858 0.187 1.00 0.00 C ATOM 518 O ALA A 36 -2.337 -9.163 0.576 1.00 0.00 O ATOM 519 CB ALA A 36 -0.700 -10.065 2.528 1.00 0.00 C ATOM 0 H ALA A 36 1.165 -10.237 0.475 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.249 -11.751 1.265 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.723 -9.867 2.848 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.199 -10.681 3.275 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.165 -9.122 2.417 1.00 0.00 H new ATOM 525 N ILE A 37 -0.886 -9.848 -1.062 1.00 0.00 N ATOM 526 CA ILE A 37 -1.430 -8.996 -2.104 1.00 0.00 C ATOM 527 C ILE A 37 -2.765 -9.574 -2.583 1.00 0.00 C ATOM 528 O ILE A 37 -2.871 -9.907 -3.773 1.00 0.00 O ATOM 529 CB ILE A 37 -0.408 -8.800 -3.225 1.00 0.00 C ATOM 530 CG1 ILE A 37 -0.967 -7.894 -4.324 1.00 0.00 C ATOM 531 CG2 ILE A 37 0.067 -10.146 -3.775 1.00 0.00 C ATOM 532 CD1 ILE A 37 -0.996 -8.622 -5.671 1.00 0.00 C ATOM 0 H ILE A 37 -0.102 -10.427 -1.362 1.00 0.00 H new ATOM 0 HA ILE A 37 -1.634 -7.999 -1.713 1.00 0.00 H new ATOM 0 HB ILE A 37 0.465 -8.298 -2.808 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.974 -7.572 -4.058 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.356 -6.995 -4.405 1.00 0.00 H new ATOM 0 HG21 ILE A 37 0.793 -9.978 -4.571 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.532 -10.722 -2.975 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -0.785 -10.698 -4.172 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.397 -7.957 -6.436 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.016 -8.921 -5.945 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.627 -9.507 -5.593 1.00 0.00 H new ATOM 544 N GLN A 38 -3.740 -9.679 -1.663 1.00 0.00 N ATOM 545 CA GLN A 38 -5.051 -10.211 -1.989 1.00 0.00 C ATOM 546 C GLN A 38 -5.509 -9.641 -3.333 1.00 0.00 C ATOM 547 O GLN A 38 -6.025 -8.514 -3.350 1.00 0.00 O ATOM 548 CB GLN A 38 -6.071 -9.908 -0.889 1.00 0.00 C ATOM 549 CG GLN A 38 -5.753 -10.693 0.385 1.00 0.00 C ATOM 550 CD GLN A 38 -5.586 -9.752 1.580 1.00 0.00 C ATOM 551 OE1 GLN A 38 -4.790 -8.713 1.344 1.00 0.00 O flip ATOM 552 NE2 GLN A 38 -6.142 -9.958 2.647 1.00 0.00 N flip ATOM 0 H GLN A 38 -3.632 -9.398 -0.688 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.978 -11.296 -2.064 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -6.070 -8.840 -0.672 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.072 -10.162 -1.237 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -6.553 -11.405 0.587 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -4.840 -11.271 0.242 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -6.741 -10.776 2.761 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -6.008 -9.312 3.425 1.00 0.00 H new ATOM 561 N ASN A 39 -5.315 -10.417 -4.415 1.00 0.00 N ATOM 562 CA ASN A 39 -5.704 -9.990 -5.749 1.00 0.00 C ATOM 563 C ASN A 39 -4.976 -10.848 -6.786 1.00 0.00 C ATOM 564 O ASN A 39 -3.787 -10.594 -7.031 1.00 0.00 O ATOM 565 CB ASN A 39 -5.324 -8.528 -5.991 1.00 0.00 C ATOM 566 CG ASN A 39 -6.572 -7.658 -6.154 1.00 0.00 C ATOM 567 OD1 ASN A 39 -6.724 -7.149 -7.374 1.00 0.00 O flip ATOM 568 ND2 ASN A 39 -7.346 -7.459 -5.231 1.00 0.00 N flip ATOM 0 H ASN A 39 -4.889 -11.343 -4.379 1.00 0.00 H new ATOM 0 HA ASN A 39 -6.785 -10.100 -5.838 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.727 -8.161 -5.157 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.704 -8.453 -6.884 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.171 -7.880 -4.319 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.168 -6.872 -5.372 1.00 0.00 H new ATOM 575 N ASP A 40 -5.692 -11.829 -7.365 1.00 0.00 N ATOM 576 CA ASP A 40 -5.119 -12.712 -8.366 1.00 0.00 C ATOM 577 C ASP A 40 -5.259 -12.070 -9.747 1.00 0.00 C ATOM 578 O ASP A 40 -6.393 -11.761 -10.142 1.00 0.00 O ATOM 579 CB ASP A 40 -5.846 -14.058 -8.394 1.00 0.00 C ATOM 580 CG ASP A 40 -5.582 -14.908 -9.637 1.00 0.00 C ATOM 581 OD1 ASP A 40 -4.399 -15.418 -9.708 1.00 0.00 O ATOM 582 OD2 ASP A 40 -6.462 -15.079 -10.495 1.00 0.00 O ATOM 0 H ASP A 40 -6.670 -12.021 -7.148 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.071 -12.873 -8.113 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.555 -14.630 -7.513 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -6.918 -13.877 -8.317 1.00 0.00 H new ATOM 587 N GLY A 41 -4.123 -11.885 -10.444 1.00 0.00 N ATOM 588 CA GLY A 41 -4.120 -11.286 -11.767 1.00 0.00 C ATOM 589 C GLY A 41 -2.681 -10.961 -12.172 1.00 0.00 C ATOM 590 O GLY A 41 -1.783 -11.751 -11.844 1.00 0.00 O ATOM 0 H GLY A 41 -3.199 -12.147 -10.101 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -4.568 -11.969 -12.489 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -4.724 -10.379 -11.769 1.00 0.00 H new ATOM 594 N TYR A 42 -2.492 -9.824 -12.864 1.00 0.00 N ATOM 595 CA TYR A 42 -1.148 -9.460 -13.281 1.00 0.00 C ATOM 596 C TYR A 42 -0.248 -9.348 -12.049 1.00 0.00 C ATOM 597 O TYR A 42 -0.559 -8.529 -11.173 1.00 0.00 O ATOM 598 CB TYR A 42 -1.181 -8.148 -14.088 1.00 0.00 C ATOM 599 CG TYR A 42 -2.191 -7.124 -13.587 1.00 0.00 C ATOM 600 CD1 TYR A 42 -3.562 -7.276 -13.895 1.00 0.00 C ATOM 601 CD2 TYR A 42 -1.767 -6.024 -12.808 1.00 0.00 C ATOM 602 CE1 TYR A 42 -4.502 -6.330 -13.431 1.00 0.00 C ATOM 603 CE2 TYR A 42 -2.707 -5.079 -12.343 1.00 0.00 C ATOM 604 CZ TYR A 42 -4.076 -5.231 -12.655 1.00 0.00 C ATOM 605 OH TYR A 42 -4.988 -4.319 -12.210 1.00 0.00 O ATOM 0 H TYR A 42 -3.228 -9.171 -13.133 1.00 0.00 H new ATOM 0 HA TYR A 42 -0.738 -10.232 -13.932 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -0.188 -7.699 -14.069 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -1.405 -8.382 -15.129 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -3.891 -8.117 -14.486 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -0.721 -5.906 -12.568 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -5.549 -6.448 -13.670 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -2.379 -4.239 -11.748 1.00 0.00 H new ATOM 0 HH TYR A 42 -4.530 -3.626 -11.690 1.00 0.00 H new ATOM 615 N LYS A 43 0.823 -10.161 -12.000 1.00 0.00 N ATOM 616 CA LYS A 43 1.745 -10.153 -10.877 1.00 0.00 C ATOM 617 C LYS A 43 2.522 -8.835 -10.868 1.00 0.00 C ATOM 618 O LYS A 43 3.717 -8.853 -11.196 1.00 0.00 O ATOM 619 CB LYS A 43 2.639 -11.394 -10.908 1.00 0.00 C ATOM 620 CG LYS A 43 1.827 -12.646 -11.250 1.00 0.00 C ATOM 621 CD LYS A 43 0.802 -12.950 -10.156 1.00 0.00 C ATOM 622 CE LYS A 43 0.774 -14.445 -9.832 1.00 0.00 C ATOM 623 NZ LYS A 43 0.645 -15.237 -11.065 1.00 0.00 N ATOM 0 H LYS A 43 1.061 -10.829 -12.733 1.00 0.00 H new ATOM 0 HA LYS A 43 1.198 -10.206 -9.936 1.00 0.00 H new ATOM 0 HB2 LYS A 43 3.431 -11.258 -11.644 1.00 0.00 H new ATOM 0 HB3 LYS A 43 3.122 -11.523 -9.940 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.316 -12.504 -12.202 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.497 -13.497 -11.372 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.045 -12.384 -9.257 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.187 -12.626 -10.479 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.686 -14.726 -9.306 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.059 -14.663 -9.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.137 -16.121 -10.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.115 -14.691 -11.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.591 -15.459 -11.435 1.00 0.00 H new ATOM 637 N SER A 44 1.839 -7.736 -10.500 1.00 0.00 N ATOM 638 CA SER A 44 2.461 -6.423 -10.451 1.00 0.00 C ATOM 639 C SER A 44 1.510 -5.439 -9.769 1.00 0.00 C ATOM 640 O SER A 44 0.340 -5.372 -10.174 1.00 0.00 O ATOM 641 CB SER A 44 2.828 -5.926 -11.850 1.00 0.00 C ATOM 642 OG SER A 44 4.132 -6.349 -12.243 1.00 0.00 O ATOM 0 H SER A 44 0.854 -7.743 -10.234 1.00 0.00 H new ATOM 0 HA SER A 44 3.385 -6.498 -9.878 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.096 -6.294 -12.569 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.778 -4.837 -11.873 1.00 0.00 H new ATOM 0 HG SER A 44 4.269 -7.281 -11.972 1.00 0.00 H new ATOM 648 N LEU A 45 2.023 -4.706 -8.763 1.00 0.00 N ATOM 649 CA LEU A 45 1.224 -3.735 -8.034 1.00 0.00 C ATOM 650 C LEU A 45 1.904 -2.366 -8.103 1.00 0.00 C ATOM 651 O LEU A 45 2.833 -2.209 -8.911 1.00 0.00 O ATOM 652 CB LEU A 45 0.962 -4.220 -6.607 1.00 0.00 C ATOM 653 CG LEU A 45 -0.471 -4.664 -6.302 1.00 0.00 C ATOM 654 CD1 LEU A 45 -1.406 -3.459 -6.186 1.00 0.00 C ATOM 655 CD2 LEU A 45 -0.963 -5.676 -7.338 1.00 0.00 C ATOM 0 H LEU A 45 2.990 -4.777 -8.445 1.00 0.00 H new ATOM 0 HA LEU A 45 0.242 -3.627 -8.495 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.632 -5.054 -6.399 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.228 -3.419 -5.917 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.475 -5.167 -5.335 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.417 -3.803 -5.969 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.063 -2.809 -5.381 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.405 -2.906 -7.125 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.983 -5.975 -7.098 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.941 -5.222 -8.329 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.316 -6.553 -7.326 1.00 0.00 H new ATOM 667 N ASP A 46 1.438 -1.419 -7.271 1.00 0.00 N ATOM 668 CA ASP A 46 1.998 -0.078 -7.239 1.00 0.00 C ATOM 669 C ASP A 46 1.874 0.555 -8.627 1.00 0.00 C ATOM 670 O ASP A 46 1.290 -0.081 -9.515 1.00 0.00 O ATOM 671 CB ASP A 46 3.481 -0.110 -6.864 1.00 0.00 C ATOM 672 CG ASP A 46 3.771 -0.438 -5.398 1.00 0.00 C ATOM 673 OD1 ASP A 46 3.710 -1.604 -4.981 1.00 0.00 O ATOM 674 OD2 ASP A 46 4.074 0.577 -4.662 1.00 0.00 O ATOM 0 H ASP A 46 0.672 -1.569 -6.614 1.00 0.00 H new ATOM 0 HA ASP A 46 1.450 0.499 -6.494 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.983 -0.846 -7.491 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.920 0.860 -7.097 1.00 0.00 H new ATOM 679 N GLU A 47 2.417 1.776 -8.780 1.00 0.00 N ATOM 680 CA GLU A 47 2.366 2.486 -10.048 1.00 0.00 C ATOM 681 C GLU A 47 1.090 3.329 -10.106 1.00 0.00 C ATOM 682 O GLU A 47 0.581 3.552 -11.214 1.00 0.00 O ATOM 683 CB GLU A 47 2.441 1.523 -11.235 1.00 0.00 C ATOM 684 CG GLU A 47 2.970 2.232 -12.483 1.00 0.00 C ATOM 685 CD GLU A 47 3.408 1.221 -13.543 1.00 0.00 C ATOM 686 OE1 GLU A 47 3.531 0.023 -13.246 1.00 0.00 O ATOM 687 OE2 GLU A 47 3.622 1.717 -14.715 1.00 0.00 O ATOM 0 H GLU A 47 2.894 2.283 -8.034 1.00 0.00 H new ATOM 0 HA GLU A 47 3.234 3.142 -10.116 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.090 0.684 -10.986 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.452 1.112 -11.438 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.196 2.881 -12.892 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.812 2.870 -12.214 1.00 0.00 H new ATOM 694 N GLY A 48 0.608 3.773 -8.932 1.00 0.00 N ATOM 695 CA GLY A 48 -0.595 4.584 -8.850 1.00 0.00 C ATOM 696 C GLY A 48 -1.809 3.667 -8.676 1.00 0.00 C ATOM 697 O GLY A 48 -2.569 3.506 -9.642 1.00 0.00 O ATOM 0 H GLY A 48 1.043 3.577 -8.030 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.524 5.277 -8.012 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.705 5.185 -9.752 1.00 0.00 H new ATOM 701 N GLN A 49 -1.965 3.096 -7.468 1.00 0.00 N ATOM 702 CA GLN A 49 -3.075 2.209 -7.174 1.00 0.00 C ATOM 703 C GLN A 49 -3.454 2.342 -5.699 1.00 0.00 C ATOM 704 O GLN A 49 -2.575 2.159 -4.845 1.00 0.00 O ATOM 705 CB GLN A 49 -2.744 0.756 -7.525 1.00 0.00 C ATOM 706 CG GLN A 49 -3.587 -0.216 -6.699 1.00 0.00 C ATOM 707 CD GLN A 49 -5.053 -0.176 -7.135 1.00 0.00 C ATOM 708 OE1 GLN A 49 -5.840 0.643 -6.688 1.00 0.00 O ATOM 709 NE2 GLN A 49 -5.376 -1.105 -8.032 1.00 0.00 N ATOM 0 H GLN A 49 -1.327 3.242 -6.686 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.925 2.500 -7.792 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.923 0.585 -8.587 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.686 0.567 -7.345 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.198 -1.228 -6.812 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.511 0.039 -5.642 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.669 -1.760 -8.365 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.331 -1.161 -8.387 1.00 0.00 H new ATOM 718 N LYS A 50 -4.735 2.654 -5.432 1.00 0.00 N ATOM 719 CA LYS A 50 -5.222 2.811 -4.071 1.00 0.00 C ATOM 720 C LYS A 50 -5.532 1.434 -3.483 1.00 0.00 C ATOM 721 O LYS A 50 -6.452 0.770 -3.984 1.00 0.00 O ATOM 722 CB LYS A 50 -6.409 3.776 -4.034 1.00 0.00 C ATOM 723 CG LYS A 50 -6.580 4.382 -2.641 1.00 0.00 C ATOM 724 CD LYS A 50 -8.001 4.162 -2.117 1.00 0.00 C ATOM 725 CE LYS A 50 -9.026 4.878 -2.998 1.00 0.00 C ATOM 726 NZ LYS A 50 -8.516 6.193 -3.420 1.00 0.00 N ATOM 0 H LYS A 50 -5.444 2.800 -6.150 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.454 3.262 -3.442 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.259 4.571 -4.764 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.320 3.249 -4.319 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -5.862 3.933 -1.955 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.363 5.450 -2.676 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.221 3.095 -2.090 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.076 4.529 -1.093 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.249 4.270 -3.875 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.960 5.003 -2.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -9.305 6.778 -3.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -8.061 6.664 -2.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -7.821 6.067 -4.184 1.00 0.00 H new ATOM 740 N VAL A 51 -4.770 1.035 -2.448 1.00 0.00 N ATOM 741 CA VAL A 51 -4.961 -0.252 -1.800 1.00 0.00 C ATOM 742 C VAL A 51 -5.277 -0.030 -0.320 1.00 0.00 C ATOM 743 O VAL A 51 -5.529 1.122 0.063 1.00 0.00 O ATOM 744 CB VAL A 51 -3.734 -1.138 -2.023 1.00 0.00 C ATOM 745 CG1 VAL A 51 -3.250 -1.050 -3.473 1.00 0.00 C ATOM 746 CG2 VAL A 51 -2.612 -0.777 -1.048 1.00 0.00 C ATOM 0 H VAL A 51 -4.017 1.596 -2.050 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.809 -0.778 -2.239 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.027 -2.170 -1.829 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -2.377 -1.689 -3.605 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.045 -1.379 -4.142 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.983 -0.019 -3.706 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.752 -1.422 -1.228 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.323 0.264 -1.195 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.961 -0.915 -0.025 1.00 0.00 H new ATOM 756 N SER A 52 -5.256 -1.118 0.469 1.00 0.00 N ATOM 757 CA SER A 52 -5.538 -1.043 1.892 1.00 0.00 C ATOM 758 C SER A 52 -4.707 -2.094 2.630 1.00 0.00 C ATOM 759 O SER A 52 -4.558 -3.205 2.101 1.00 0.00 O ATOM 760 CB SER A 52 -7.028 -1.248 2.181 1.00 0.00 C ATOM 761 OG SER A 52 -7.569 -0.191 2.968 1.00 0.00 O ATOM 0 H SER A 52 -5.045 -2.058 0.133 1.00 0.00 H new ATOM 0 HA SER A 52 -5.269 -0.047 2.244 1.00 0.00 H new ATOM 0 HB2 SER A 52 -7.574 -1.315 1.240 1.00 0.00 H new ATOM 0 HB3 SER A 52 -7.170 -2.196 2.700 1.00 0.00 H new ATOM 0 HG SER A 52 -6.945 0.032 3.690 1.00 0.00 H new ATOM 767 N PHE A 53 -4.188 -1.728 3.817 1.00 0.00 N ATOM 768 CA PHE A 53 -3.381 -2.633 4.616 1.00 0.00 C ATOM 769 C PHE A 53 -3.841 -2.572 6.074 1.00 0.00 C ATOM 770 O PHE A 53 -4.995 -2.182 6.310 1.00 0.00 O ATOM 771 CB PHE A 53 -1.897 -2.231 4.494 1.00 0.00 C ATOM 772 CG PHE A 53 -1.660 -0.743 4.273 1.00 0.00 C ATOM 773 CD1 PHE A 53 -1.673 -0.205 2.965 1.00 0.00 C ATOM 774 CD2 PHE A 53 -1.417 0.107 5.376 1.00 0.00 C ATOM 775 CE1 PHE A 53 -1.447 1.175 2.764 1.00 0.00 C ATOM 776 CE2 PHE A 53 -1.193 1.485 5.174 1.00 0.00 C ATOM 777 CZ PHE A 53 -1.208 2.019 3.869 1.00 0.00 C ATOM 0 H PHE A 53 -4.321 -0.807 4.234 1.00 0.00 H new ATOM 0 HA PHE A 53 -3.498 -3.656 4.258 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.375 -2.538 5.400 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.451 -2.783 3.667 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.856 -0.850 2.118 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.403 -0.300 6.376 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.457 1.584 1.764 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.010 2.132 6.019 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.037 3.074 3.715 1.00 0.00 H new ATOM 787 N THR A 54 -2.950 -2.952 7.004 1.00 0.00 N ATOM 788 CA THR A 54 -3.263 -2.939 8.423 1.00 0.00 C ATOM 789 C THR A 54 -2.024 -2.516 9.212 1.00 0.00 C ATOM 790 O THR A 54 -1.897 -2.925 10.376 1.00 0.00 O ATOM 791 CB THR A 54 -3.794 -4.319 8.818 1.00 0.00 C ATOM 792 OG1 THR A 54 -3.873 -4.267 10.240 1.00 0.00 O ATOM 793 CG2 THR A 54 -2.786 -5.436 8.541 1.00 0.00 C ATOM 0 H THR A 54 -2.006 -3.272 6.787 1.00 0.00 H new ATOM 0 HA THR A 54 -4.042 -2.212 8.655 1.00 0.00 H new ATOM 0 HB THR A 54 -4.717 -4.521 8.275 1.00 0.00 H new ATOM 0 HG1 THR A 54 -2.980 -4.110 10.612 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.213 -6.394 8.839 1.00 0.00 H new ATOM 0 HG22 THR A 54 -2.552 -5.459 7.477 1.00 0.00 H new ATOM 0 HG23 THR A 54 -1.874 -5.252 9.109 1.00 0.00 H new ATOM 801 N ILE A 55 -1.146 -1.721 8.575 1.00 0.00 N ATOM 802 CA ILE A 55 0.071 -1.248 9.213 1.00 0.00 C ATOM 803 C ILE A 55 0.835 -2.442 9.787 1.00 0.00 C ATOM 804 O ILE A 55 0.268 -3.543 9.827 1.00 0.00 O ATOM 805 CB ILE A 55 -0.252 -0.169 10.249 1.00 0.00 C ATOM 806 CG1 ILE A 55 -0.060 1.231 9.659 1.00 0.00 C ATOM 807 CG2 ILE A 55 0.570 -0.370 11.523 1.00 0.00 C ATOM 808 CD1 ILE A 55 -1.282 1.652 8.839 1.00 0.00 C ATOM 0 H ILE A 55 -1.268 -1.398 7.615 1.00 0.00 H new ATOM 0 HA ILE A 55 0.724 -0.770 8.483 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.302 -0.262 10.525 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.108 1.948 10.462 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.829 1.245 9.028 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.322 0.410 12.243 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.343 -1.346 11.952 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.632 -0.317 11.283 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.120 2.650 8.431 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.433 0.946 8.022 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.164 1.660 9.479 1.00 0.00 H new ATOM 820 N GLU A 56 2.090 -2.206 10.214 1.00 0.00 N ATOM 821 CA GLU A 56 2.921 -3.254 10.780 1.00 0.00 C ATOM 822 C GLU A 56 3.802 -2.662 11.882 1.00 0.00 C ATOM 823 O GLU A 56 3.302 -1.827 12.651 1.00 0.00 O ATOM 824 CB GLU A 56 3.771 -3.938 9.707 1.00 0.00 C ATOM 825 CG GLU A 56 2.894 -4.726 8.732 1.00 0.00 C ATOM 826 CD GLU A 56 2.540 -6.100 9.303 1.00 0.00 C ATOM 827 OE1 GLU A 56 2.146 -6.097 10.531 1.00 0.00 O ATOM 828 OE2 GLU A 56 2.643 -7.112 8.592 1.00 0.00 O ATOM 0 H GLU A 56 2.540 -1.292 10.172 1.00 0.00 H new ATOM 0 HA GLU A 56 2.274 -4.019 11.209 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.345 -3.189 9.161 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.489 -4.609 10.179 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.981 -4.168 8.525 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.416 -4.846 7.783 1.00 0.00 H new ATOM 835 N SER A 57 5.072 -3.097 11.937 1.00 0.00 N ATOM 836 CA SER A 57 6.011 -2.612 12.936 1.00 0.00 C ATOM 837 C SER A 57 5.766 -3.347 14.256 1.00 0.00 C ATOM 838 O SER A 57 4.782 -3.023 14.936 1.00 0.00 O ATOM 839 CB SER A 57 5.883 -1.101 13.137 1.00 0.00 C ATOM 840 OG SER A 57 7.135 -0.497 13.454 1.00 0.00 O ATOM 0 H SER A 57 5.463 -3.786 11.295 1.00 0.00 H new ATOM 0 HA SER A 57 7.024 -2.810 12.586 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.481 -0.647 12.231 1.00 0.00 H new ATOM 0 HB3 SER A 57 5.171 -0.901 13.937 1.00 0.00 H new ATOM 0 HG SER A 57 7.806 -0.769 12.794 1.00 0.00 H new ATOM 846 N GLY A 58 6.652 -4.303 14.587 1.00 0.00 N ATOM 847 CA GLY A 58 6.534 -5.072 15.813 1.00 0.00 C ATOM 848 C GLY A 58 7.736 -4.780 16.713 1.00 0.00 C ATOM 849 O GLY A 58 7.568 -4.773 17.939 1.00 0.00 O ATOM 0 H GLY A 58 7.457 -4.553 14.012 1.00 0.00 H new ATOM 0 HA2 GLY A 58 5.609 -4.815 16.329 1.00 0.00 H new ATOM 0 HA3 GLY A 58 6.487 -6.137 15.584 1.00 0.00 H new ATOM 853 N ALA A 59 8.908 -4.547 16.093 1.00 0.00 N ATOM 854 CA ALA A 59 10.126 -4.258 16.832 1.00 0.00 C ATOM 855 C ALA A 59 10.563 -2.820 16.543 1.00 0.00 C ATOM 856 O ALA A 59 10.986 -2.132 17.483 1.00 0.00 O ATOM 857 CB ALA A 59 11.257 -5.159 16.335 1.00 0.00 C ATOM 0 H ALA A 59 9.025 -4.556 15.080 1.00 0.00 H new ATOM 0 HA ALA A 59 9.932 -4.415 17.893 1.00 0.00 H new ATOM 0 HB1 ALA A 59 12.168 -4.939 16.891 1.00 0.00 H new ATOM 0 HB2 ALA A 59 10.983 -6.203 16.485 1.00 0.00 H new ATOM 0 HB3 ALA A 59 11.427 -4.978 15.274 1.00 0.00 H new ATOM 863 N LYS A 60 10.453 -2.404 15.269 1.00 0.00 N ATOM 864 CA LYS A 60 10.835 -1.062 14.863 1.00 0.00 C ATOM 865 C LYS A 60 10.574 -0.892 13.365 1.00 0.00 C ATOM 866 O LYS A 60 9.807 0.010 12.998 1.00 0.00 O ATOM 867 CB LYS A 60 12.281 -0.769 15.273 1.00 0.00 C ATOM 868 CG LYS A 60 13.198 -1.939 14.916 1.00 0.00 C ATOM 869 CD LYS A 60 13.789 -2.575 16.178 1.00 0.00 C ATOM 870 CE LYS A 60 14.768 -3.695 15.819 1.00 0.00 C ATOM 871 NZ LYS A 60 14.307 -4.421 14.624 1.00 0.00 N ATOM 0 H LYS A 60 10.101 -2.987 14.510 1.00 0.00 H new ATOM 0 HA LYS A 60 10.225 -0.320 15.379 1.00 0.00 H new ATOM 0 HB2 LYS A 60 12.628 0.136 14.774 1.00 0.00 H new ATOM 0 HB3 LYS A 60 12.328 -0.579 16.345 1.00 0.00 H new ATOM 0 HG2 LYS A 60 12.638 -2.687 14.355 1.00 0.00 H new ATOM 0 HG3 LYS A 60 14.003 -1.591 14.268 1.00 0.00 H new ATOM 0 HD2 LYS A 60 14.301 -1.814 16.768 1.00 0.00 H new ATOM 0 HD3 LYS A 60 12.987 -2.973 16.799 1.00 0.00 H new ATOM 0 HE2 LYS A 60 15.758 -3.276 15.638 1.00 0.00 H new ATOM 0 HE3 LYS A 60 14.863 -4.386 16.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 14.751 -5.361 14.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 13.273 -4.528 14.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 14.570 -3.888 13.771 1.00 0.00 H new ATOM 885 N GLY A 61 11.207 -1.749 12.544 1.00 0.00 N ATOM 886 CA GLY A 61 11.043 -1.694 11.100 1.00 0.00 C ATOM 887 C GLY A 61 9.553 -1.721 10.759 1.00 0.00 C ATOM 888 O GLY A 61 8.914 -2.760 10.985 1.00 0.00 O ATOM 0 H GLY A 61 11.835 -2.485 12.867 1.00 0.00 H new ATOM 0 HA2 GLY A 61 11.502 -0.788 10.705 1.00 0.00 H new ATOM 0 HA3 GLY A 61 11.550 -2.538 10.633 1.00 0.00 H new ATOM 892 N PRO A 62 9.036 -0.597 10.231 1.00 0.00 N ATOM 893 CA PRO A 62 7.640 -0.456 9.850 1.00 0.00 C ATOM 894 C PRO A 62 7.347 -1.209 8.552 1.00 0.00 C ATOM 895 O PRO A 62 8.302 -1.530 7.828 1.00 0.00 O ATOM 896 CB PRO A 62 7.413 1.041 9.734 1.00 0.00 C ATOM 897 CG PRO A 62 8.793 1.663 9.596 1.00 0.00 C ATOM 898 CD PRO A 62 9.820 0.610 9.978 1.00 0.00 C ATOM 0 HA PRO A 62 6.958 -0.892 10.580 1.00 0.00 H new ATOM 0 HB2 PRO A 62 6.791 1.276 8.870 1.00 0.00 H new ATOM 0 HB3 PRO A 62 6.897 1.427 10.613 1.00 0.00 H new ATOM 0 HG2 PRO A 62 8.958 2.003 8.574 1.00 0.00 H new ATOM 0 HG3 PRO A 62 8.884 2.537 10.241 1.00 0.00 H new ATOM 0 HD2 PRO A 62 10.543 0.452 9.177 1.00 0.00 H new ATOM 0 HD3 PRO A 62 10.384 0.909 10.862 1.00 0.00 H new ATOM 906 N ALA A 63 6.055 -1.472 8.286 1.00 0.00 N ATOM 907 CA ALA A 63 5.645 -2.179 7.085 1.00 0.00 C ATOM 908 C ALA A 63 4.117 -2.197 7.006 1.00 0.00 C ATOM 909 O ALA A 63 3.482 -1.363 7.669 1.00 0.00 O ATOM 910 CB ALA A 63 6.087 -3.641 7.173 1.00 0.00 C ATOM 0 H ALA A 63 5.284 -1.200 8.896 1.00 0.00 H new ATOM 0 HA ALA A 63 6.088 -1.681 6.222 1.00 0.00 H new ATOM 0 HB1 ALA A 63 5.778 -4.169 6.271 1.00 0.00 H new ATOM 0 HB2 ALA A 63 7.172 -3.688 7.268 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.626 -4.109 8.043 1.00 0.00 H new ATOM 916 N ALA A 64 3.565 -3.130 6.212 1.00 0.00 N ATOM 917 CA ALA A 64 2.127 -3.252 6.050 1.00 0.00 C ATOM 918 C ALA A 64 1.758 -4.729 5.889 1.00 0.00 C ATOM 919 O ALA A 64 2.570 -5.481 5.329 1.00 0.00 O ATOM 920 CB ALA A 64 1.693 -2.559 4.756 1.00 0.00 C ATOM 0 H ALA A 64 4.105 -3.808 5.675 1.00 0.00 H new ATOM 0 HA ALA A 64 1.644 -2.808 6.920 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.613 -2.652 4.638 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.963 -1.504 4.800 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.193 -3.026 3.908 1.00 0.00 H new ATOM 926 N GLY A 65 0.563 -5.108 6.376 1.00 0.00 N ATOM 927 CA GLY A 65 0.096 -6.482 6.287 1.00 0.00 C ATOM 928 C GLY A 65 -1.287 -6.503 5.635 1.00 0.00 C ATOM 929 O GLY A 65 -1.949 -5.455 5.620 1.00 0.00 O ATOM 0 H GLY A 65 -0.090 -4.472 6.834 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.796 -7.079 5.702 1.00 0.00 H new ATOM 0 HA3 GLY A 65 0.049 -6.928 7.281 1.00 0.00 H new ATOM 933 N ASN A 66 -1.690 -7.678 5.117 1.00 0.00 N ATOM 934 CA ASN A 66 -2.982 -7.831 4.470 1.00 0.00 C ATOM 935 C ASN A 66 -3.200 -6.674 3.493 1.00 0.00 C ATOM 936 O ASN A 66 -4.121 -5.875 3.722 1.00 0.00 O ATOM 937 CB ASN A 66 -4.118 -7.804 5.495 1.00 0.00 C ATOM 938 CG ASN A 66 -4.263 -9.162 6.188 1.00 0.00 C ATOM 939 OD1 ASN A 66 -4.179 -10.213 5.573 1.00 0.00 O ATOM 940 ND2 ASN A 66 -4.486 -9.080 7.496 1.00 0.00 N ATOM 0 H ASN A 66 -1.130 -8.530 5.140 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.987 -8.789 3.951 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -3.924 -7.031 6.239 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -5.053 -7.542 5.000 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -4.598 -9.930 8.048 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -4.545 -8.167 7.947 1.00 0.00 H new ATOM 947 N VAL A 67 -2.363 -6.605 2.443 1.00 0.00 N ATOM 948 CA VAL A 67 -2.464 -5.557 1.443 1.00 0.00 C ATOM 949 C VAL A 67 -3.403 -6.012 0.324 1.00 0.00 C ATOM 950 O VAL A 67 -3.045 -6.953 -0.399 1.00 0.00 O ATOM 951 CB VAL A 67 -1.071 -5.179 0.940 1.00 0.00 C ATOM 952 CG1 VAL A 67 -0.468 -4.053 1.782 1.00 0.00 C ATOM 953 CG2 VAL A 67 -0.148 -6.399 0.913 1.00 0.00 C ATOM 0 H VAL A 67 -1.609 -7.272 2.275 1.00 0.00 H new ATOM 0 HA VAL A 67 -2.893 -4.654 1.878 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.173 -4.813 -0.082 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.523 -3.805 1.402 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -1.109 -3.173 1.726 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.387 -4.378 2.819 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.837 -6.102 0.551 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.057 -6.809 1.919 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.565 -7.156 0.249 1.00 0.00 H new ATOM 963 N THR A 68 -4.566 -5.347 0.205 1.00 0.00 N ATOM 964 CA THR A 68 -5.544 -5.681 -0.816 1.00 0.00 C ATOM 965 C THR A 68 -5.752 -4.472 -1.729 1.00 0.00 C ATOM 966 O THR A 68 -5.866 -3.352 -1.210 1.00 0.00 O ATOM 967 CB THR A 68 -6.827 -6.154 -0.128 1.00 0.00 C ATOM 968 OG1 THR A 68 -7.839 -5.966 -1.114 1.00 0.00 O ATOM 969 CG2 THR A 68 -7.249 -5.233 1.018 1.00 0.00 C ATOM 0 H THR A 68 -4.841 -4.574 0.811 1.00 0.00 H new ATOM 0 HA THR A 68 -5.199 -6.496 -1.452 1.00 0.00 H new ATOM 0 HB THR A 68 -6.684 -7.165 0.252 1.00 0.00 H new ATOM 0 HG1 THR A 68 -8.705 -6.249 -0.752 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.164 -5.613 1.472 1.00 0.00 H new ATOM 0 HG22 THR A 68 -6.459 -5.200 1.768 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.426 -4.229 0.632 1.00 0.00 H new ATOM 977 N SER A 69 -5.802 -4.718 -3.052 1.00 0.00 N ATOM 978 CA SER A 69 -5.996 -3.657 -4.025 1.00 0.00 C ATOM 979 C SER A 69 -7.430 -3.135 -3.925 1.00 0.00 C ATOM 980 O SER A 69 -8.360 -3.951 -3.981 1.00 0.00 O ATOM 981 CB SER A 69 -5.707 -4.142 -5.447 1.00 0.00 C ATOM 982 OG SER A 69 -6.800 -4.872 -5.995 1.00 0.00 O ATOM 0 H SER A 69 -5.709 -5.648 -3.460 1.00 0.00 H new ATOM 0 HA SER A 69 -5.295 -2.852 -3.804 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.487 -3.285 -6.084 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.817 -4.772 -5.441 1.00 0.00 H new ATOM 0 HG SER A 69 -6.479 -5.446 -6.721 1.00 0.00 H new ATOM 988 N LEU A 70 -7.578 -1.806 -3.778 1.00 0.00 N ATOM 989 CA LEU A 70 -8.887 -1.184 -3.670 1.00 0.00 C ATOM 990 C LEU A 70 -9.328 -0.692 -5.050 1.00 0.00 C ATOM 991 O LEU A 70 -10.481 -0.304 -5.235 1.00 0.00 O ATOM 992 CB LEU A 70 -8.874 -0.089 -2.603 1.00 0.00 C ATOM 993 CG LEU A 70 -9.881 -0.253 -1.462 1.00 0.00 C ATOM 994 CD1 LEU A 70 -9.794 0.920 -0.482 1.00 0.00 C ATOM 995 CD2 LEU A 70 -11.298 -0.442 -2.005 1.00 0.00 C ATOM 0 H LEU A 70 -6.798 -1.150 -3.732 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.628 -1.911 -3.338 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.873 -0.039 -2.174 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -9.060 0.868 -3.090 1.00 0.00 H new ATOM 0 HG LEU A 70 -9.626 -1.156 -0.907 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -10.520 0.779 0.319 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.791 0.967 -0.059 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -10.010 1.850 -1.008 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -11.994 -0.556 -1.174 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -11.580 0.429 -2.597 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -11.332 -1.333 -2.631 1.00 0.00 H new