USER MOD reduce.3.24.130724 H: found=0, std=0, add=260, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 251 hydrogens (4 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 NoAdj-H: A 12 CFD HNA : A 12 CFD N : A 11 SER C :(H bumps) USER MOD NoAdj-H: A 12 CFD H : A 12 CFD C : A 13 ARG N :(H bumps) USER MOD Set 1.1: A 1 LYS N :NH3+ 155:sc= 2.37 (180deg=0.561) USER MOD Set 1.2: A 25 GLN : amide:sc= 2.14 K(o=4.5,f=-9!) USER MOD Set 2.1: A 18 ASN : amide:sc= 4.11 K(o=5.1,f=-8.2!) USER MOD Set 2.2: A 21 THR OG1 : rot 76:sc= 0.998 USER MOD Single : A 1 LYS NZ :NH3+ 179:sc= 0.973 (180deg=0.96) USER MOD Single : A 8 LYS NZ :NH3+ -106:sc= 1.19 (180deg=-0.192) USER MOD Single : A 10 MET CE :methyl -178:sc= 0 (180deg=-0.00656) USER MOD Single : A 11 SER OG : rot -52:sc= 1.2 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HE2:sc= 0.843 K(o=0.84,f=-5.5!) USER MOD Single : A 22 ASN : amide:sc= 0.847 K(o=0.85,f=-0.18) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -44:sc= 1.01 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -6.244 4.788 -6.875 1.00 0.00 N ATOM 2 CA LYS A 1 -7.384 4.750 -5.930 1.00 0.00 C ATOM 3 C LYS A 1 -8.253 3.536 -6.237 1.00 0.00 C ATOM 4 O LYS A 1 -8.506 3.273 -7.407 1.00 0.00 O ATOM 5 CB LYS A 1 -8.153 6.081 -5.896 1.00 0.00 C ATOM 6 CG LYS A 1 -8.629 6.584 -7.270 1.00 0.00 C ATOM 7 CD LYS A 1 -8.969 8.086 -7.240 1.00 0.00 C ATOM 8 CE LYS A 1 -8.651 8.756 -8.584 1.00 0.00 C ATOM 9 NZ LYS A 1 -7.185 8.872 -8.792 1.00 0.00 N ATOM 0 H1 LYS A 1 -5.905 5.767 -6.971 1.00 0.00 H new ATOM 0 H2 LYS A 1 -5.474 4.189 -6.515 1.00 0.00 H new ATOM 0 H3 LYS A 1 -6.551 4.435 -7.804 1.00 0.00 H new ATOM 0 HA LYS A 1 -7.010 4.632 -4.913 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -9.020 5.967 -5.246 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -7.515 6.842 -5.447 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -7.853 6.401 -8.013 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -9.507 6.018 -7.580 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -10.026 8.217 -7.007 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -8.404 8.573 -6.445 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -9.091 8.177 -9.395 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -9.105 9.746 -8.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -6.999 9.313 -9.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -6.773 9.459 -8.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -6.755 7.925 -8.768 1.00 0.00 H new ATOM 25 N LEU A 2 -8.641 2.780 -5.203 1.00 0.00 N ATOM 26 CA LEU A 2 -9.292 1.459 -5.289 1.00 0.00 C ATOM 27 C LEU A 2 -10.296 1.246 -4.121 1.00 0.00 C ATOM 28 O LEU A 2 -10.437 2.148 -3.294 1.00 0.00 O ATOM 29 CB LEU A 2 -8.159 0.400 -5.285 1.00 0.00 C ATOM 30 CG LEU A 2 -7.352 0.266 -6.592 1.00 0.00 C ATOM 31 CD1 LEU A 2 -6.232 -0.754 -6.382 1.00 0.00 C ATOM 32 CD2 LEU A 2 -8.215 -0.199 -7.768 1.00 0.00 C ATOM 0 H LEU A 2 -8.505 3.082 -4.238 1.00 0.00 H new ATOM 0 HA LEU A 2 -9.883 1.374 -6.201 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -7.467 0.641 -4.478 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -8.597 -0.570 -5.051 1.00 0.00 H new ATOM 0 HG LEU A 2 -6.956 1.252 -6.834 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -5.655 -0.856 -7.301 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -5.578 -0.416 -5.579 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -6.664 -1.719 -6.116 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -7.598 -0.277 -8.663 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -8.647 -1.173 -7.539 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -9.015 0.522 -7.940 1.00 0.00 H new ATOM 44 N PRO A 3 -11.007 0.097 -4.029 1.00 0.00 N ATOM 45 CA PRO A 3 -11.914 -0.233 -2.915 1.00 0.00 C ATOM 46 C PRO A 3 -11.240 -0.331 -1.518 1.00 0.00 C ATOM 47 O PRO A 3 -10.028 -0.140 -1.413 1.00 0.00 O ATOM 48 CB PRO A 3 -12.576 -1.560 -3.325 1.00 0.00 C ATOM 49 CG PRO A 3 -12.529 -1.530 -4.849 1.00 0.00 C ATOM 50 CD PRO A 3 -11.171 -0.887 -5.094 1.00 0.00 C ATOM 0 HA PRO A 3 -12.629 0.577 -2.772 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -12.036 -2.418 -2.924 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -13.600 -1.628 -2.957 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -12.595 -2.528 -5.282 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -13.344 -0.944 -5.274 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -10.374 -1.630 -5.067 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -11.132 -0.413 -6.075 1.00 0.00 H new ATOM 58 N PRO A 4 -11.988 -0.607 -0.424 1.00 0.00 N ATOM 59 CA PRO A 4 -11.467 -0.689 0.955 1.00 0.00 C ATOM 60 C PRO A 4 -10.456 -1.823 1.244 1.00 0.00 C ATOM 61 O PRO A 4 -10.077 -2.585 0.355 1.00 0.00 O ATOM 62 CB PRO A 4 -12.711 -0.823 1.848 1.00 0.00 C ATOM 63 CG PRO A 4 -13.821 -0.182 1.025 1.00 0.00 C ATOM 64 CD PRO A 4 -13.445 -0.614 -0.386 1.00 0.00 C ATOM 0 HA PRO A 4 -10.873 0.204 1.149 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -12.931 -1.867 2.073 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -12.575 -0.313 2.802 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -14.807 -0.544 1.315 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -13.836 0.903 1.131 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -13.838 -1.606 -0.610 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -13.860 0.068 -1.128 1.00 0.00 H new ATOM 72 N GLY A 5 -10.029 -1.924 2.516 1.00 0.00 N ATOM 73 CA GLY A 5 -9.106 -2.941 3.045 1.00 0.00 C ATOM 74 C GLY A 5 -7.633 -2.630 2.754 1.00 0.00 C ATOM 75 O GLY A 5 -7.099 -3.108 1.756 1.00 0.00 O ATOM 0 H GLY A 5 -10.333 -1.268 3.235 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -9.247 -3.025 4.123 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -9.358 -3.910 2.614 1.00 0.00 H new ATOM 79 N TRP A 6 -6.953 -1.881 3.634 1.00 0.00 N ATOM 80 CA TRP A 6 -5.616 -1.330 3.361 1.00 0.00 C ATOM 81 C TRP A 6 -4.598 -1.424 4.494 1.00 0.00 C ATOM 82 O TRP A 6 -4.937 -1.528 5.671 1.00 0.00 O ATOM 83 CB TRP A 6 -5.746 0.162 3.023 1.00 0.00 C ATOM 84 CG TRP A 6 -6.502 0.457 1.783 1.00 0.00 C ATOM 85 CD1 TRP A 6 -7.843 0.556 1.669 1.00 0.00 C ATOM 86 CD2 TRP A 6 -5.959 0.644 0.449 1.00 0.00 C ATOM 87 NE1 TRP A 6 -8.163 0.748 0.344 1.00 0.00 N ATOM 88 CE2 TRP A 6 -7.043 0.857 -0.439 1.00 0.00 C ATOM 89 CE3 TRP A 6 -4.665 0.656 -0.100 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -6.866 1.088 -1.799 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -4.470 0.813 -1.487 1.00 0.00 C ATOM 92 CH2 TRP A 6 -5.571 1.026 -2.337 1.00 0.00 C ATOM 0 H TRP A 6 -7.314 -1.639 4.557 1.00 0.00 H new ATOM 0 HA TRP A 6 -5.240 -1.948 2.545 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -6.233 0.668 3.857 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -4.747 0.587 2.932 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -8.549 0.495 2.484 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -9.117 0.803 -0.012 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -3.809 0.543 0.549 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -7.712 1.312 -2.432 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -3.472 0.770 -1.899 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -5.420 1.141 -3.400 1.00 0.00 H new ATOM 103 N GLU A 7 -3.335 -1.283 4.090 1.00 0.00 N ATOM 104 CA GLU A 7 -2.164 -1.097 4.932 1.00 0.00 C ATOM 105 C GLU A 7 -1.319 0.029 4.315 1.00 0.00 C ATOM 106 O GLU A 7 -1.045 0.019 3.110 1.00 0.00 O ATOM 107 CB GLU A 7 -1.318 -2.368 4.963 1.00 0.00 C ATOM 108 CG GLU A 7 -1.767 -3.463 5.930 1.00 0.00 C ATOM 109 CD GLU A 7 -0.892 -4.698 5.694 1.00 0.00 C ATOM 110 OE1 GLU A 7 0.355 -4.566 5.722 1.00 0.00 O ATOM 111 OE2 GLU A 7 -1.447 -5.769 5.363 1.00 0.00 O ATOM 0 H GLU A 7 -3.092 -1.297 3.099 1.00 0.00 H new ATOM 0 HA GLU A 7 -2.480 -0.856 5.947 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -1.297 -2.788 3.958 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -0.294 -2.090 5.214 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -1.673 -3.122 6.961 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -2.818 -3.705 5.769 1.00 0.00 H new ATOM 118 N LYS A 8 -0.864 0.973 5.150 1.00 0.00 N ATOM 119 CA LYS A 8 0.128 1.982 4.759 1.00 0.00 C ATOM 120 C LYS A 8 1.521 1.462 5.118 1.00 0.00 C ATOM 121 O LYS A 8 1.739 1.005 6.247 1.00 0.00 O ATOM 122 CB LYS A 8 -0.241 3.383 5.289 1.00 0.00 C ATOM 123 CG LYS A 8 -0.193 3.576 6.814 1.00 0.00 C ATOM 124 CD LYS A 8 1.209 3.942 7.339 1.00 0.00 C ATOM 125 CE LYS A 8 1.505 3.411 8.749 1.00 0.00 C ATOM 126 NZ LYS A 8 1.465 1.927 8.799 1.00 0.00 N ATOM 0 H LYS A 8 -1.175 1.058 6.118 1.00 0.00 H new ATOM 0 HA LYS A 8 0.133 2.134 3.680 1.00 0.00 H new ATOM 0 HB2 LYS A 8 0.432 4.108 4.832 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.248 3.623 4.947 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.895 4.361 7.096 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -0.527 2.659 7.300 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.958 3.551 6.650 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.313 5.027 7.341 1.00 0.00 H new ATOM 0 HE2 LYS A 8 2.487 3.759 9.070 1.00 0.00 H new ATOM 0 HE3 LYS A 8 0.777 3.818 9.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 0.595 1.619 9.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 1.479 1.547 7.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.292 1.575 9.322 1.00 0.00 H new ATOM 140 N ARG A 9 2.457 1.514 4.168 1.00 0.00 N ATOM 141 CA ARG A 9 3.773 0.867 4.249 1.00 0.00 C ATOM 142 C ARG A 9 4.892 1.774 3.727 1.00 0.00 C ATOM 143 O ARG A 9 4.639 2.758 3.036 1.00 0.00 O ATOM 144 CB ARG A 9 3.720 -0.439 3.435 1.00 0.00 C ATOM 145 CG ARG A 9 2.813 -1.532 4.029 1.00 0.00 C ATOM 146 CD ARG A 9 2.803 -2.747 3.094 1.00 0.00 C ATOM 147 NE ARG A 9 2.082 -3.903 3.660 1.00 0.00 N ATOM 148 CZ ARG A 9 2.030 -5.117 3.133 1.00 0.00 C ATOM 149 NH1 ARG A 9 2.604 -5.411 1.988 1.00 0.00 N ATOM 150 NH2 ARG A 9 1.383 -6.052 3.779 1.00 0.00 N ATOM 0 H ARG A 9 2.318 2.022 3.294 1.00 0.00 H new ATOM 0 HA ARG A 9 3.999 0.658 5.295 1.00 0.00 H new ATOM 0 HB2 ARG A 9 3.376 -0.209 2.427 1.00 0.00 H new ATOM 0 HB3 ARG A 9 4.731 -0.835 3.344 1.00 0.00 H new ATOM 0 HG2 ARG A 9 3.172 -1.822 5.016 1.00 0.00 H new ATOM 0 HG3 ARG A 9 1.800 -1.150 4.158 1.00 0.00 H new ATOM 0 HD2 ARG A 9 2.342 -2.466 2.147 1.00 0.00 H new ATOM 0 HD3 ARG A 9 3.830 -3.038 2.874 1.00 0.00 H new ATOM 0 HE ARG A 9 1.579 -3.754 4.535 1.00 0.00 H new ATOM 0 HH11 ARG A 9 3.112 -4.692 1.473 1.00 0.00 H new ATOM 0 HH12 ARG A 9 2.542 -6.358 1.615 1.00 0.00 H new ATOM 0 HH21 ARG A 9 0.932 -5.839 4.669 1.00 0.00 H new ATOM 0 HH22 ARG A 9 1.329 -6.995 3.393 1.00 0.00 H new ATOM 164 N MET A 10 6.141 1.438 4.056 1.00 0.00 N ATOM 165 CA MET A 10 7.322 2.183 3.619 1.00 0.00 C ATOM 166 C MET A 10 7.656 1.944 2.138 1.00 0.00 C ATOM 167 O MET A 10 7.472 0.849 1.617 1.00 0.00 O ATOM 168 CB MET A 10 8.502 1.861 4.545 1.00 0.00 C ATOM 169 CG MET A 10 9.049 0.434 4.385 1.00 0.00 C ATOM 170 SD MET A 10 10.308 -0.028 5.605 1.00 0.00 S ATOM 171 CE MET A 10 11.709 0.981 5.052 1.00 0.00 C ATOM 0 H MET A 10 6.363 0.632 4.640 1.00 0.00 H new ATOM 0 HA MET A 10 7.104 3.248 3.694 1.00 0.00 H new ATOM 0 HB2 MET A 10 9.306 2.571 4.353 1.00 0.00 H new ATOM 0 HB3 MET A 10 8.189 2.006 5.579 1.00 0.00 H new ATOM 0 HG2 MET A 10 8.219 -0.270 4.453 1.00 0.00 H new ATOM 0 HG3 MET A 10 9.473 0.331 3.386 1.00 0.00 H new ATOM 0 HE1 MET A 10 12.574 0.780 5.684 1.00 0.00 H new ATOM 0 HE2 MET A 10 11.950 0.734 4.018 1.00 0.00 H new ATOM 0 HE3 MET A 10 11.447 2.037 5.121 1.00 0.00 H new ATOM 181 N SER A 11 8.184 2.978 1.478 1.00 0.00 N ATOM 182 CA SER A 11 8.599 2.993 0.072 1.00 0.00 C ATOM 183 C SER A 11 9.999 3.625 -0.055 1.00 0.00 C ATOM 184 O SER A 11 10.228 4.491 -0.905 1.00 0.00 O ATOM 185 CB SER A 11 7.512 3.693 -0.765 1.00 0.00 C ATOM 186 OG SER A 11 7.974 3.999 -2.062 1.00 0.00 O ATOM 0 H SER A 11 8.342 3.876 1.935 1.00 0.00 H new ATOM 0 HA SER A 11 8.694 1.981 -0.323 1.00 0.00 H new ATOM 0 HB2 SER A 11 6.634 3.051 -0.833 1.00 0.00 H new ATOM 0 HB3 SER A 11 7.199 4.609 -0.264 1.00 0.00 H new ATOM 0 HG SER A 11 8.822 4.486 -2.001 1.00 0.00 H new HETATM 192 N CFD A 12 10.916 3.225 0.833 1.00 0.00 N HETATM 193 CA CFD A 12 12.255 3.781 0.942 1.00 0.00 C HETATM 194 C CFD A 12 10.923 8.168 1.270 1.00 0.00 C HETATM 195 O CFD A 12 10.644 9.317 1.611 1.00 0.00 O HETATM 196 CB2 CFD A 12 13.151 2.811 1.717 1.00 0.00 C HETATM 197 CB1 CFD A 12 12.211 5.166 1.576 1.00 0.00 C HETATM 198 CG1 CFD A 12 12.515 6.244 0.802 1.00 0.00 C HETATM 199 CG2 CFD A 12 11.709 5.266 3.017 1.00 0.00 C HETATM 200 CD CFD A 12 12.389 7.696 1.265 1.00 0.00 C HETATM 201 CE CFD A 12 13.238 8.593 0.358 1.00 0.00 C HETATM 0 HG2B CFD A 12 10.687 4.891 3.073 1.00 0.00 H new HETATM 0 HG2A CFD A 12 12.350 4.671 3.668 1.00 0.00 H new HETATM 0 HB2B CFD A 12 12.741 2.655 2.715 1.00 0.00 H new HETATM 0 HB2A CFD A 12 13.196 1.858 1.190 1.00 0.00 H new HETATM 0 H1G1 CFD A 12 12.871 6.060 -0.212 1.00 0.00 H new HETATM 0 HN CFD A 12 10.706 2.316 1.246 1.00 0.00 H new HETATM 0 HG2 CFD A 12 11.731 6.307 3.339 1.00 0.00 H new HETATM 0 HEB CFD A 12 12.850 8.553 -0.660 1.00 0.00 H new HETATM 0 HEA CFD A 12 13.198 9.620 0.721 1.00 0.00 H new HETATM 0 HE CFD A 12 14.271 8.245 0.366 1.00 0.00 H new HETATM 0 HD CFD A 12 12.752 7.762 2.291 1.00 0.00 H new HETATM 0 HB2 CFD A 12 14.155 3.229 1.798 1.00 0.00 H new HETATM 0 HA CFD A 12 12.683 3.907 -0.053 1.00 0.00 H new ATOM 206 N ARG A 13 9.990 7.293 0.875 1.00 0.00 N ATOM 207 CA ARG A 13 8.552 7.558 0.738 1.00 0.00 C ATOM 208 C ARG A 13 7.718 6.614 1.613 1.00 0.00 C ATOM 209 O ARG A 13 8.220 5.644 2.184 1.00 0.00 O ATOM 210 CB ARG A 13 8.171 7.433 -0.752 1.00 0.00 C ATOM 211 CG ARG A 13 8.675 8.614 -1.595 1.00 0.00 C ATOM 212 CD ARG A 13 8.648 8.305 -3.100 1.00 0.00 C ATOM 213 NE ARG A 13 7.278 8.159 -3.629 1.00 0.00 N ATOM 214 CZ ARG A 13 6.516 9.110 -4.157 1.00 0.00 C ATOM 215 NH1 ARG A 13 6.894 10.367 -4.203 1.00 0.00 N ATOM 216 NH2 ARG A 13 5.345 8.803 -4.655 1.00 0.00 N ATOM 0 H ARG A 13 10.229 6.332 0.630 1.00 0.00 H new ATOM 0 HA ARG A 13 8.335 8.568 1.086 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.582 6.506 -1.151 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.087 7.365 -0.841 1.00 0.00 H new ATOM 0 HG2 ARG A 13 8.059 9.491 -1.395 1.00 0.00 H new ATOM 0 HG3 ARG A 13 9.693 8.864 -1.295 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.158 9.103 -3.639 1.00 0.00 H new ATOM 0 HD3 ARG A 13 9.205 7.387 -3.288 1.00 0.00 H new ATOM 0 HE ARG A 13 6.872 7.225 -3.584 1.00 0.00 H new ATOM 0 HH11 ARG A 13 7.801 10.641 -3.825 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.281 11.069 -4.617 1.00 0.00 H new ATOM 0 HH21 ARG A 13 5.021 7.836 -4.637 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.757 9.531 -5.061 1.00 0.00 H new ATOM 230 N VAL A 14 6.413 6.886 1.661 1.00 0.00 N ATOM 231 CA VAL A 14 5.364 6.036 2.239 1.00 0.00 C ATOM 232 C VAL A 14 4.336 5.751 1.136 1.00 0.00 C ATOM 233 O VAL A 14 4.144 6.587 0.254 1.00 0.00 O ATOM 234 CB VAL A 14 4.755 6.698 3.495 1.00 0.00 C ATOM 235 CG1 VAL A 14 4.012 8.010 3.197 1.00 0.00 C ATOM 236 CG2 VAL A 14 3.810 5.757 4.257 1.00 0.00 C ATOM 0 H VAL A 14 6.036 7.753 1.277 1.00 0.00 H new ATOM 0 HA VAL A 14 5.769 5.085 2.585 1.00 0.00 H new ATOM 0 HB VAL A 14 5.618 6.928 4.120 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.610 8.419 4.124 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.703 8.727 2.753 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.195 7.816 2.502 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.410 6.272 5.130 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.990 5.459 3.604 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.359 4.872 4.578 1.00 0.00 H new ATOM 246 N TYR A 15 3.704 4.575 1.155 1.00 0.00 N ATOM 247 CA TYR A 15 2.718 4.157 0.157 1.00 0.00 C ATOM 248 C TYR A 15 1.552 3.376 0.787 1.00 0.00 C ATOM 249 O TYR A 15 1.581 3.029 1.970 1.00 0.00 O ATOM 250 CB TYR A 15 3.418 3.372 -0.969 1.00 0.00 C ATOM 251 CG TYR A 15 3.518 1.866 -0.787 1.00 0.00 C ATOM 252 CD1 TYR A 15 4.503 1.294 0.042 1.00 0.00 C ATOM 253 CD2 TYR A 15 2.620 1.031 -1.475 1.00 0.00 C ATOM 254 CE1 TYR A 15 4.603 -0.107 0.166 1.00 0.00 C ATOM 255 CE2 TYR A 15 2.692 -0.364 -1.325 1.00 0.00 C ATOM 256 CZ TYR A 15 3.682 -0.941 -0.504 1.00 0.00 C ATOM 257 OH TYR A 15 3.732 -2.295 -0.363 1.00 0.00 O ATOM 0 H TYR A 15 3.867 3.874 1.878 1.00 0.00 H new ATOM 0 HA TYR A 15 2.268 5.047 -0.282 1.00 0.00 H new ATOM 0 HB2 TYR A 15 2.889 3.568 -1.901 1.00 0.00 H new ATOM 0 HB3 TYR A 15 4.426 3.769 -1.085 1.00 0.00 H new ATOM 0 HD1 TYR A 15 5.185 1.932 0.585 1.00 0.00 H new ATOM 0 HD2 TYR A 15 1.871 1.464 -2.122 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.383 -0.542 0.773 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.986 -0.997 -1.841 1.00 0.00 H new ATOM 0 HH TYR A 15 3.020 -2.706 -0.897 1.00 0.00 H new ATOM 267 N TYR A 16 0.519 3.113 -0.014 1.00 0.00 N ATOM 268 CA TYR A 16 -0.692 2.382 0.355 1.00 0.00 C ATOM 269 C TYR A 16 -0.791 1.089 -0.463 1.00 0.00 C ATOM 270 O TYR A 16 -0.725 1.119 -1.696 1.00 0.00 O ATOM 271 CB TYR A 16 -1.916 3.280 0.088 1.00 0.00 C ATOM 272 CG TYR A 16 -2.530 3.972 1.292 1.00 0.00 C ATOM 273 CD1 TYR A 16 -1.738 4.758 2.153 1.00 0.00 C ATOM 274 CD2 TYR A 16 -3.918 3.864 1.521 1.00 0.00 C ATOM 275 CE1 TYR A 16 -2.329 5.435 3.238 1.00 0.00 C ATOM 276 CE2 TYR A 16 -4.512 4.541 2.600 1.00 0.00 C ATOM 277 CZ TYR A 16 -3.722 5.333 3.457 1.00 0.00 C ATOM 278 OH TYR A 16 -4.313 6.005 4.481 1.00 0.00 O ATOM 0 H TYR A 16 0.504 3.420 -0.987 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.659 2.118 1.412 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -1.626 4.045 -0.633 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -2.687 2.672 -0.385 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -0.675 4.842 1.981 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -4.526 3.259 0.865 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -1.719 6.031 3.901 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -5.575 4.454 2.772 1.00 0.00 H new ATOM 0 HH TYR A 16 -5.275 5.820 4.481 1.00 0.00 H new ATOM 288 N PHE A 17 -1.025 -0.044 0.202 1.00 0.00 N ATOM 289 CA PHE A 17 -1.352 -1.304 -0.462 1.00 0.00 C ATOM 290 C PHE A 17 -2.661 -1.894 0.066 1.00 0.00 C ATOM 291 O PHE A 17 -3.000 -1.768 1.248 1.00 0.00 O ATOM 292 CB PHE A 17 -0.150 -2.254 -0.398 1.00 0.00 C ATOM 293 CG PHE A 17 -0.425 -3.676 0.036 1.00 0.00 C ATOM 294 CD1 PHE A 17 -0.750 -3.916 1.376 1.00 0.00 C ATOM 295 CD2 PHE A 17 -0.371 -4.747 -0.874 1.00 0.00 C ATOM 296 CE1 PHE A 17 -1.084 -5.205 1.817 1.00 0.00 C ATOM 297 CE2 PHE A 17 -0.649 -6.051 -0.427 1.00 0.00 C ATOM 298 CZ PHE A 17 -1.021 -6.281 0.911 1.00 0.00 C ATOM 0 H PHE A 17 -0.993 -0.112 1.219 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.543 -1.124 -1.520 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.312 -2.284 -1.385 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.584 -1.827 0.285 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.744 -3.097 2.080 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.118 -4.569 -1.909 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.386 -5.370 2.841 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.577 -6.881 -1.114 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.258 -7.281 1.242 1.00 0.00 H new ATOM 308 N ASN A 18 -3.399 -2.524 -0.845 1.00 0.00 N ATOM 309 CA ASN A 18 -4.719 -3.073 -0.554 1.00 0.00 C ATOM 310 C ASN A 18 -4.584 -4.514 -0.047 1.00 0.00 C ATOM 311 O ASN A 18 -4.125 -5.374 -0.786 1.00 0.00 O ATOM 312 CB ASN A 18 -5.584 -2.980 -1.815 1.00 0.00 C ATOM 313 CG ASN A 18 -7.052 -3.188 -1.482 1.00 0.00 C ATOM 314 OD1 ASN A 18 -7.549 -4.305 -1.484 1.00 0.00 O ATOM 315 ND2 ASN A 18 -7.787 -2.145 -1.182 1.00 0.00 N ATOM 0 H ASN A 18 -3.097 -2.668 -1.808 1.00 0.00 H new ATOM 0 HA ASN A 18 -5.207 -2.500 0.235 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -5.448 -2.005 -2.283 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.261 -3.729 -2.538 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -8.773 -2.266 -0.950 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -7.373 -1.213 -1.180 1.00 0.00 H new ATOM 322 N HIS A 19 -5.013 -4.830 1.177 1.00 0.00 N ATOM 323 CA HIS A 19 -4.777 -6.160 1.763 1.00 0.00 C ATOM 324 C HIS A 19 -5.575 -7.278 1.056 1.00 0.00 C ATOM 325 O HIS A 19 -5.176 -8.440 1.109 1.00 0.00 O ATOM 326 CB HIS A 19 -5.013 -6.093 3.283 1.00 0.00 C ATOM 327 CG HIS A 19 -4.558 -7.322 4.038 1.00 0.00 C ATOM 328 ND1 HIS A 19 -3.396 -7.443 4.782 1.00 0.00 N ATOM 329 CD2 HIS A 19 -5.209 -8.523 4.102 1.00 0.00 C ATOM 330 CE1 HIS A 19 -3.341 -8.693 5.278 1.00 0.00 C ATOM 331 NE2 HIS A 19 -4.434 -9.370 4.873 1.00 0.00 N ATOM 0 H HIS A 19 -5.524 -4.188 1.783 1.00 0.00 H new ATOM 0 HA HIS A 19 -3.736 -6.440 1.598 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -4.492 -5.222 3.682 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -6.076 -5.941 3.467 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -2.701 -6.711 4.929 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -6.153 -8.765 3.637 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -2.551 -9.089 5.899 1.00 0.00 H new ATOM 340 N ILE A 20 -6.678 -6.934 0.375 1.00 0.00 N ATOM 341 CA ILE A 20 -7.537 -7.885 -0.347 1.00 0.00 C ATOM 342 C ILE A 20 -7.138 -7.958 -1.829 1.00 0.00 C ATOM 343 O ILE A 20 -6.763 -9.016 -2.332 1.00 0.00 O ATOM 344 CB ILE A 20 -9.028 -7.505 -0.162 1.00 0.00 C ATOM 345 CG1 ILE A 20 -9.438 -7.301 1.316 1.00 0.00 C ATOM 346 CG2 ILE A 20 -9.939 -8.549 -0.833 1.00 0.00 C ATOM 347 CD1 ILE A 20 -9.203 -8.503 2.243 1.00 0.00 C ATOM 0 H ILE A 20 -7.004 -5.970 0.309 1.00 0.00 H new ATOM 0 HA ILE A 20 -7.397 -8.882 0.071 1.00 0.00 H new ATOM 0 HB ILE A 20 -9.157 -6.539 -0.650 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -8.889 -6.447 1.712 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -10.496 -7.042 1.348 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -10.982 -8.266 -0.693 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -9.716 -8.595 -1.899 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -9.765 -9.526 -0.383 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -9.525 -8.251 3.254 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -9.775 -9.358 1.882 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -8.142 -8.754 2.252 1.00 0.00 H new ATOM 359 N THR A 21 -7.145 -6.812 -2.510 1.00 0.00 N ATOM 360 CA THR A 21 -6.866 -6.668 -3.949 1.00 0.00 C ATOM 361 C THR A 21 -5.370 -6.809 -4.259 1.00 0.00 C ATOM 362 O THR A 21 -4.996 -7.046 -5.402 1.00 0.00 O ATOM 363 CB THR A 21 -7.375 -5.302 -4.471 1.00 0.00 C ATOM 364 OG1 THR A 21 -8.571 -4.901 -3.834 1.00 0.00 O ATOM 365 CG2 THR A 21 -7.658 -5.305 -5.973 1.00 0.00 C ATOM 0 H THR A 21 -7.353 -5.920 -2.061 1.00 0.00 H new ATOM 0 HA THR A 21 -7.397 -7.473 -4.458 1.00 0.00 H new ATOM 0 HB THR A 21 -6.564 -4.609 -4.246 1.00 0.00 H new ATOM 0 HG1 THR A 21 -8.368 -4.575 -2.932 1.00 0.00 H new ATOM 0 HG21 THR A 21 -8.012 -4.320 -6.279 1.00 0.00 H new ATOM 0 HG22 THR A 21 -6.744 -5.547 -6.515 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.421 -6.050 -6.198 1.00 0.00 H new ATOM 373 N ASN A 22 -4.509 -6.638 -3.245 1.00 0.00 N ATOM 374 CA ASN A 22 -3.048 -6.736 -3.265 1.00 0.00 C ATOM 375 C ASN A 22 -2.311 -5.769 -4.213 1.00 0.00 C ATOM 376 O ASN A 22 -1.083 -5.779 -4.292 1.00 0.00 O ATOM 377 CB ASN A 22 -2.637 -8.219 -3.267 1.00 0.00 C ATOM 378 CG ASN A 22 -2.864 -8.844 -1.890 1.00 0.00 C ATOM 379 OD1 ASN A 22 -1.945 -8.961 -1.094 1.00 0.00 O ATOM 380 ND2 ASN A 22 -4.079 -9.210 -1.526 1.00 0.00 N ATOM 0 H ASN A 22 -4.850 -6.408 -2.311 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.658 -6.320 -2.336 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -3.213 -8.760 -4.017 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.587 -8.310 -3.545 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.240 -9.584 -0.591 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.857 -9.118 -2.180 1.00 0.00 H new ATOM 387 N ALA A 23 -3.052 -4.860 -4.854 1.00 0.00 N ATOM 388 CA ALA A 23 -2.521 -3.737 -5.609 1.00 0.00 C ATOM 389 C ALA A 23 -1.865 -2.698 -4.676 1.00 0.00 C ATOM 390 O ALA A 23 -2.195 -2.595 -3.490 1.00 0.00 O ATOM 391 CB ALA A 23 -3.662 -3.128 -6.428 1.00 0.00 C ATOM 0 H ALA A 23 -4.071 -4.893 -4.857 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.736 -4.079 -6.284 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.286 -2.282 -7.003 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -4.063 -3.880 -7.108 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.451 -2.788 -5.757 1.00 0.00 H new ATOM 397 N SER A 24 -0.927 -1.925 -5.234 1.00 0.00 N ATOM 398 CA SER A 24 -0.072 -0.973 -4.517 1.00 0.00 C ATOM 399 C SER A 24 -0.076 0.391 -5.213 1.00 0.00 C ATOM 400 O SER A 24 -0.028 0.448 -6.442 1.00 0.00 O ATOM 401 CB SER A 24 1.359 -1.521 -4.472 1.00 0.00 C ATOM 402 OG SER A 24 1.418 -2.696 -3.686 1.00 0.00 O ATOM 0 H SER A 24 -0.735 -1.946 -6.236 1.00 0.00 H new ATOM 0 HA SER A 24 -0.457 -0.845 -3.505 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.704 -1.736 -5.483 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.030 -0.767 -4.060 1.00 0.00 H new ATOM 0 HG SER A 24 2.338 -3.033 -3.670 1.00 0.00 H new ATOM 408 N GLN A 25 -0.138 1.484 -4.444 1.00 0.00 N ATOM 409 CA GLN A 25 -0.290 2.852 -4.957 1.00 0.00 C ATOM 410 C GLN A 25 0.200 3.908 -3.945 1.00 0.00 C ATOM 411 O GLN A 25 0.393 3.616 -2.766 1.00 0.00 O ATOM 412 CB GLN A 25 -1.770 3.098 -5.324 1.00 0.00 C ATOM 413 CG GLN A 25 -2.747 2.685 -4.208 1.00 0.00 C ATOM 414 CD GLN A 25 -4.153 3.225 -4.426 1.00 0.00 C ATOM 415 OE1 GLN A 25 -4.820 2.975 -5.422 1.00 0.00 O ATOM 416 NE2 GLN A 25 -4.648 3.994 -3.482 1.00 0.00 N ATOM 0 H GLN A 25 -0.083 1.442 -3.426 1.00 0.00 H new ATOM 0 HA GLN A 25 0.332 2.953 -5.846 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -1.911 4.155 -5.549 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.010 2.544 -6.232 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -2.785 1.597 -4.149 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -2.370 3.043 -3.250 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.094 4.203 -2.652 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -5.586 4.382 -3.580 1.00 0.00 H new ATOM 425 N PHE A 26 0.365 5.159 -4.396 1.00 0.00 N ATOM 426 CA PHE A 26 0.627 6.314 -3.520 1.00 0.00 C ATOM 427 C PHE A 26 -0.642 7.104 -3.148 1.00 0.00 C ATOM 428 O PHE A 26 -0.617 7.887 -2.202 1.00 0.00 O ATOM 429 CB PHE A 26 1.680 7.215 -4.176 1.00 0.00 C ATOM 430 CG PHE A 26 3.061 6.590 -4.232 1.00 0.00 C ATOM 431 CD1 PHE A 26 3.830 6.486 -3.056 1.00 0.00 C ATOM 432 CD2 PHE A 26 3.583 6.097 -5.444 1.00 0.00 C ATOM 433 CE1 PHE A 26 5.088 5.861 -3.081 1.00 0.00 C ATOM 434 CE2 PHE A 26 4.850 5.486 -5.473 1.00 0.00 C ATOM 435 CZ PHE A 26 5.597 5.354 -4.289 1.00 0.00 C ATOM 0 H PHE A 26 0.320 5.402 -5.386 1.00 0.00 H new ATOM 0 HA PHE A 26 1.009 5.931 -2.574 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.359 7.458 -5.189 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.737 8.154 -3.626 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.450 6.889 -2.129 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.009 6.188 -6.354 1.00 0.00 H new ATOM 0 HE1 PHE A 26 5.664 5.770 -2.172 1.00 0.00 H new ATOM 0 HE2 PHE A 26 5.250 5.118 -6.406 1.00 0.00 H new ATOM 0 HZ PHE A 26 6.559 4.864 -4.308 1.00 0.00 H new ATOM 445 N GLU A 27 -1.751 6.895 -3.869 1.00 0.00 N ATOM 446 CA GLU A 27 -3.073 7.414 -3.497 1.00 0.00 C ATOM 447 C GLU A 27 -3.694 6.636 -2.317 1.00 0.00 C ATOM 448 O GLU A 27 -3.192 5.596 -1.888 1.00 0.00 O ATOM 449 CB GLU A 27 -4.039 7.312 -4.697 1.00 0.00 C ATOM 450 CG GLU A 27 -3.684 8.168 -5.915 1.00 0.00 C ATOM 451 CD GLU A 27 -4.915 8.311 -6.821 1.00 0.00 C ATOM 452 OE1 GLU A 27 -5.376 7.301 -7.410 1.00 0.00 O ATOM 453 OE2 GLU A 27 -5.472 9.428 -6.906 1.00 0.00 O ATOM 0 H GLU A 27 -1.756 6.356 -4.735 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.930 8.452 -3.198 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -4.088 6.270 -5.012 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.037 7.591 -4.360 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.341 9.151 -5.593 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.864 7.709 -6.468 1.00 0.00 H new ATOM 460 N ARG A 28 -4.856 7.106 -1.850 1.00 0.00 N ATOM 461 CA ARG A 28 -5.735 6.403 -0.906 1.00 0.00 C ATOM 462 C ARG A 28 -6.819 5.620 -1.691 1.00 0.00 C ATOM 463 O ARG A 28 -6.806 5.627 -2.931 1.00 0.00 O ATOM 464 CB ARG A 28 -6.397 7.445 0.018 1.00 0.00 C ATOM 465 CG ARG A 28 -5.429 8.238 0.910 1.00 0.00 C ATOM 466 CD ARG A 28 -6.159 8.969 2.053 1.00 0.00 C ATOM 467 NE ARG A 28 -7.250 9.849 1.574 1.00 0.00 N ATOM 468 CZ ARG A 28 -8.541 9.537 1.448 1.00 0.00 C ATOM 469 NH1 ARG A 28 -9.031 8.395 1.865 1.00 0.00 N ATOM 470 NH2 ARG A 28 -9.367 10.372 0.870 1.00 0.00 N ATOM 0 H ARG A 28 -5.223 8.016 -2.127 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.159 5.697 -0.308 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -6.958 8.149 -0.597 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -7.118 6.935 0.656 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.686 7.560 1.330 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -4.890 8.964 0.302 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.570 8.233 2.743 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.439 9.565 2.614 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.985 10.798 1.312 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -8.419 7.707 2.304 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.024 8.194 1.750 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -9.024 11.264 0.514 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -10.353 10.130 0.775 1.00 0.00 H new ATOM 484 N PRO A 29 -7.734 4.891 -1.023 1.00 0.00 N ATOM 485 CA PRO A 29 -8.927 4.322 -1.643 1.00 0.00 C ATOM 486 C PRO A 29 -9.774 5.374 -2.381 1.00 0.00 C ATOM 487 O PRO A 29 -9.543 6.578 -2.275 1.00 0.00 O ATOM 488 CB PRO A 29 -9.739 3.685 -0.499 1.00 0.00 C ATOM 489 CG PRO A 29 -9.005 4.086 0.781 1.00 0.00 C ATOM 490 CD PRO A 29 -7.581 4.288 0.287 1.00 0.00 C ATOM 0 HA PRO A 29 -8.640 3.594 -2.402 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -10.767 4.049 -0.495 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -9.785 2.601 -0.604 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -9.417 4.996 1.218 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -9.065 3.310 1.544 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.016 4.935 0.958 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -7.043 3.342 0.228 1.00 0.00 H new ATOM 498 N SER A 30 -10.800 4.915 -3.103 1.00 0.00 N ATOM 499 CA SER A 30 -11.770 5.746 -3.835 1.00 0.00 C ATOM 500 C SER A 30 -12.753 6.521 -2.924 1.00 0.00 C ATOM 501 O SER A 30 -13.934 6.656 -3.257 1.00 0.00 O ATOM 502 CB SER A 30 -12.484 4.874 -4.878 1.00 0.00 C ATOM 503 OG SER A 30 -13.366 5.671 -5.631 1.00 0.00 O ATOM 0 H SER A 30 -10.988 3.917 -3.200 1.00 0.00 H new ATOM 0 HA SER A 30 -11.218 6.537 -4.344 1.00 0.00 H new ATOM 0 HB2 SER A 30 -11.753 4.402 -5.534 1.00 0.00 H new ATOM 0 HB3 SER A 30 -13.033 4.073 -4.383 1.00 0.00 H new ATOM 0 HG SER A 30 -13.864 6.265 -5.031 1.00 0.00 H new ATOM 509 N GLY A 31 -12.260 7.016 -1.782 1.00 0.00 N ATOM 510 CA GLY A 31 -12.976 7.748 -0.737 1.00 0.00 C ATOM 511 C GLY A 31 -11.992 8.244 0.313 1.00 0.00 C ATOM 512 O GLY A 31 -11.317 7.398 0.937 1.00 0.00 O ATOM 513 OXT GLY A 31 -11.833 9.474 0.447 1.00 0.00 O ATOM 0 H GLY A 31 -11.273 6.905 -1.549 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -13.512 8.591 -1.173 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -13.721 7.102 -0.273 1.00 0.00 H new TER 517 GLY A 31