USER MOD reduce.3.24.130724 H: found=0, std=0, add=288, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 286 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.158 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.473 K(o=-0.47,f=-1) USER MOD Single : A 16 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.011) USER MOD Single : A 17 THR OG1 : rot 154:sc= -0.874 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= -0.0675 USER MOD Single : A 26 ASN : amide:sc= -3.86 K(o=-3.9,f=-8.2!) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.127 USER MOD Single : A 32 SER OG : rot 38:sc= 0.168 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0475 USER MOD Single : A 36 LYS NZ :NH3+ 134:sc= -2.39 (180deg=-5.41!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.068 -18.337 -3.300 1.00 0.00 N ATOM 2 CA GLY A 1 -16.761 -18.555 -3.889 1.00 0.00 C ATOM 3 C GLY A 1 -15.769 -17.467 -3.524 1.00 0.00 C ATOM 4 O GLY A 1 -15.849 -16.350 -4.035 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.708 -19.108 -3.580 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.983 -18.317 -2.264 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.452 -17.430 -3.633 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.374 -19.520 -3.560 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.859 -18.604 -4.974 1.00 0.00 H new ATOM 8 N SER A 2 -14.836 -17.793 -2.636 1.00 0.00 N ATOM 9 CA SER A 2 -13.830 -16.834 -2.198 1.00 0.00 C ATOM 10 C SER A 2 -12.435 -17.449 -2.248 1.00 0.00 C ATOM 11 O SER A 2 -12.251 -18.624 -1.933 1.00 0.00 O ATOM 12 CB SER A 2 -14.137 -16.351 -0.779 1.00 0.00 C ATOM 13 OG SER A 2 -15.224 -15.443 -0.773 1.00 0.00 O ATOM 0 H SER A 2 -14.756 -18.714 -2.206 1.00 0.00 H new ATOM 0 HA SER A 2 -13.857 -15.982 -2.877 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.369 -17.205 -0.143 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.255 -15.870 -0.357 1.00 0.00 H new ATOM 0 HG SER A 2 -15.401 -15.151 0.145 1.00 0.00 H new ATOM 19 N SER A 3 -11.454 -16.645 -2.646 1.00 0.00 N ATOM 20 CA SER A 3 -10.075 -17.109 -2.742 1.00 0.00 C ATOM 21 C SER A 3 -9.100 -15.940 -2.649 1.00 0.00 C ATOM 22 O SER A 3 -9.302 -14.897 -3.269 1.00 0.00 O ATOM 23 CB SER A 3 -9.859 -17.866 -4.053 1.00 0.00 C ATOM 24 OG SER A 3 -10.119 -17.034 -5.171 1.00 0.00 O ATOM 0 H SER A 3 -11.589 -15.668 -2.907 1.00 0.00 H new ATOM 0 HA SER A 3 -9.886 -17.783 -1.907 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.834 -18.234 -4.100 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.512 -18.738 -4.085 1.00 0.00 H new ATOM 0 HG SER A 3 -9.972 -17.541 -5.997 1.00 0.00 H new ATOM 30 N GLY A 4 -8.038 -16.122 -1.869 1.00 0.00 N ATOM 31 CA GLY A 4 -7.046 -15.075 -1.708 1.00 0.00 C ATOM 32 C GLY A 4 -6.082 -15.006 -2.876 1.00 0.00 C ATOM 33 O GLY A 4 -5.207 -15.860 -3.018 1.00 0.00 O ATOM 0 H GLY A 4 -7.847 -16.976 -1.346 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.550 -14.115 -1.599 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.486 -15.247 -0.789 1.00 0.00 H new ATOM 37 N SER A 5 -6.244 -13.987 -3.714 1.00 0.00 N ATOM 38 CA SER A 5 -5.383 -13.813 -4.879 1.00 0.00 C ATOM 39 C SER A 5 -4.967 -12.353 -5.033 1.00 0.00 C ATOM 40 O SER A 5 -5.794 -11.488 -5.320 1.00 0.00 O ATOM 41 CB SER A 5 -6.100 -14.288 -6.145 1.00 0.00 C ATOM 42 OG SER A 5 -6.082 -15.702 -6.241 1.00 0.00 O ATOM 0 H SER A 5 -6.962 -13.270 -3.609 1.00 0.00 H new ATOM 0 HA SER A 5 -4.486 -14.415 -4.731 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.131 -13.934 -6.137 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.620 -13.855 -7.023 1.00 0.00 H new ATOM 0 HG SER A 5 -6.548 -15.980 -7.057 1.00 0.00 H new ATOM 48 N SER A 6 -3.679 -12.088 -4.841 1.00 0.00 N ATOM 49 CA SER A 6 -3.152 -10.733 -4.956 1.00 0.00 C ATOM 50 C SER A 6 -1.685 -10.754 -5.372 1.00 0.00 C ATOM 51 O SER A 6 -0.878 -11.495 -4.812 1.00 0.00 O ATOM 52 CB SER A 6 -3.306 -9.990 -3.627 1.00 0.00 C ATOM 53 OG SER A 6 -4.635 -10.077 -3.145 1.00 0.00 O ATOM 0 H SER A 6 -2.981 -12.793 -4.605 1.00 0.00 H new ATOM 0 HA SER A 6 -3.722 -10.212 -5.725 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.621 -10.410 -2.891 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.031 -8.943 -3.758 1.00 0.00 H new ATOM 0 HG SER A 6 -4.707 -9.596 -2.294 1.00 0.00 H new ATOM 59 N GLY A 7 -1.345 -9.933 -6.362 1.00 0.00 N ATOM 60 CA GLY A 7 0.025 -9.873 -6.839 1.00 0.00 C ATOM 61 C GLY A 7 0.967 -9.270 -5.816 1.00 0.00 C ATOM 62 O GLY A 7 0.777 -9.434 -4.611 1.00 0.00 O ATOM 0 H GLY A 7 -1.994 -9.309 -6.842 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.363 -10.878 -7.092 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.062 -9.284 -7.755 1.00 0.00 H new ATOM 66 N THR A 8 1.991 -8.570 -6.298 1.00 0.00 N ATOM 67 CA THR A 8 2.969 -7.943 -5.418 1.00 0.00 C ATOM 68 C THR A 8 2.523 -6.545 -5.007 1.00 0.00 C ATOM 69 O THR A 8 1.917 -5.821 -5.795 1.00 0.00 O ATOM 70 CB THR A 8 4.352 -7.853 -6.090 1.00 0.00 C ATOM 71 OG1 THR A 8 4.734 -9.135 -6.598 1.00 0.00 O ATOM 72 CG2 THR A 8 5.400 -7.358 -5.105 1.00 0.00 C ATOM 0 H THR A 8 2.164 -8.424 -7.293 1.00 0.00 H new ATOM 0 HA THR A 8 3.045 -8.571 -4.531 1.00 0.00 H new ATOM 0 HB THR A 8 4.286 -7.142 -6.914 1.00 0.00 H new ATOM 0 HG1 THR A 8 5.614 -9.069 -7.025 1.00 0.00 H new ATOM 0 HG21 THR A 8 6.369 -7.302 -5.602 1.00 0.00 H new ATOM 0 HG22 THR A 8 5.121 -6.369 -4.743 1.00 0.00 H new ATOM 0 HG23 THR A 8 5.463 -8.048 -4.263 1.00 0.00 H new ATOM 80 N GLU A 9 2.828 -6.171 -3.767 1.00 0.00 N ATOM 81 CA GLU A 9 2.458 -4.858 -3.253 1.00 0.00 C ATOM 82 C GLU A 9 3.680 -3.950 -3.148 1.00 0.00 C ATOM 83 O GLU A 9 4.805 -4.423 -2.989 1.00 0.00 O ATOM 84 CB GLU A 9 1.789 -4.993 -1.883 1.00 0.00 C ATOM 85 CG GLU A 9 2.761 -5.324 -0.763 1.00 0.00 C ATOM 86 CD GLU A 9 2.927 -6.817 -0.556 1.00 0.00 C ATOM 87 OE1 GLU A 9 3.500 -7.479 -1.446 1.00 0.00 O ATOM 88 OE2 GLU A 9 2.482 -7.323 0.496 1.00 0.00 O ATOM 0 H GLU A 9 3.330 -6.759 -3.101 1.00 0.00 H new ATOM 0 HA GLU A 9 1.752 -4.408 -3.951 1.00 0.00 H new ATOM 0 HB2 GLU A 9 1.276 -4.061 -1.645 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.028 -5.771 -1.934 1.00 0.00 H new ATOM 0 HG2 GLU A 9 3.732 -4.882 -0.987 1.00 0.00 H new ATOM 0 HG3 GLU A 9 2.410 -4.869 0.163 1.00 0.00 H new ATOM 95 N GLU A 10 3.449 -2.645 -3.241 1.00 0.00 N ATOM 96 CA GLU A 10 4.531 -1.671 -3.157 1.00 0.00 C ATOM 97 C GLU A 10 5.021 -1.523 -1.720 1.00 0.00 C ATOM 98 O GLU A 10 4.498 -2.161 -0.806 1.00 0.00 O ATOM 99 CB GLU A 10 4.068 -0.314 -3.692 1.00 0.00 C ATOM 100 CG GLU A 10 3.393 -0.394 -5.051 1.00 0.00 C ATOM 101 CD GLU A 10 1.954 -0.860 -4.960 1.00 0.00 C ATOM 102 OE1 GLU A 10 1.395 -0.845 -3.843 1.00 0.00 O ATOM 103 OE2 GLU A 10 1.385 -1.241 -6.004 1.00 0.00 O ATOM 0 H GLU A 10 2.523 -2.238 -3.374 1.00 0.00 H new ATOM 0 HA GLU A 10 5.358 -2.032 -3.768 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.376 0.132 -2.978 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.928 0.352 -3.761 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.424 0.586 -5.526 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.952 -1.077 -5.691 1.00 0.00 H new ATOM 110 N ILE A 11 6.029 -0.678 -1.528 1.00 0.00 N ATOM 111 CA ILE A 11 6.588 -0.446 -0.203 1.00 0.00 C ATOM 112 C ILE A 11 5.799 0.619 0.550 1.00 0.00 C ATOM 113 O ILE A 11 6.109 0.943 1.696 1.00 0.00 O ATOM 114 CB ILE A 11 8.064 -0.013 -0.283 1.00 0.00 C ATOM 115 CG1 ILE A 11 8.772 -0.743 -1.427 1.00 0.00 C ATOM 116 CG2 ILE A 11 8.769 -0.283 1.039 1.00 0.00 C ATOM 117 CD1 ILE A 11 8.413 -2.209 -1.522 1.00 0.00 C ATOM 0 H ILE A 11 6.475 -0.143 -2.274 1.00 0.00 H new ATOM 0 HA ILE A 11 6.522 -1.391 0.336 1.00 0.00 H new ATOM 0 HB ILE A 11 8.101 1.058 -0.481 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.522 -0.254 -2.369 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.850 -0.649 -1.295 1.00 0.00 H new ATOM 0 HG21 ILE A 11 9.811 0.028 0.966 1.00 0.00 H new ATOM 0 HG22 ILE A 11 8.278 0.277 1.834 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.724 -1.348 1.264 1.00 0.00 H new ATOM 0 HD11 ILE A 11 8.951 -2.662 -2.354 1.00 0.00 H new ATOM 0 HD12 ILE A 11 8.688 -2.712 -0.595 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.340 -2.311 -1.685 1.00 0.00 H new ATOM 129 N TRP A 12 4.776 1.159 -0.103 1.00 0.00 N ATOM 130 CA TRP A 12 3.939 2.188 0.505 1.00 0.00 C ATOM 131 C TRP A 12 3.021 1.587 1.565 1.00 0.00 C ATOM 132 O TRP A 12 2.819 0.374 1.608 1.00 0.00 O ATOM 133 CB TRP A 12 3.108 2.896 -0.565 1.00 0.00 C ATOM 134 CG TRP A 12 3.938 3.632 -1.573 1.00 0.00 C ATOM 135 CD1 TRP A 12 4.724 3.083 -2.545 1.00 0.00 C ATOM 136 CD2 TRP A 12 4.067 5.052 -1.705 1.00 0.00 C ATOM 137 NE1 TRP A 12 5.333 4.076 -3.273 1.00 0.00 N ATOM 138 CE2 TRP A 12 4.945 5.292 -2.779 1.00 0.00 C ATOM 139 CE3 TRP A 12 3.523 6.144 -1.022 1.00 0.00 C ATOM 140 CZ2 TRP A 12 5.293 6.579 -3.183 1.00 0.00 C ATOM 141 CZ3 TRP A 12 3.869 7.419 -1.424 1.00 0.00 C ATOM 142 CH2 TRP A 12 4.746 7.629 -2.496 1.00 0.00 C ATOM 0 H TRP A 12 4.506 0.902 -1.052 1.00 0.00 H new ATOM 0 HA TRP A 12 4.593 2.915 0.987 1.00 0.00 H new ATOM 0 HB2 TRP A 12 2.491 2.160 -1.081 1.00 0.00 H new ATOM 0 HB3 TRP A 12 2.429 3.599 -0.082 1.00 0.00 H new ATOM 0 HD1 TRP A 12 4.849 2.024 -2.716 1.00 0.00 H new ATOM 0 HE1 TRP A 12 5.971 3.931 -4.055 1.00 0.00 H new ATOM 0 HE3 TRP A 12 2.845 5.993 -0.195 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 5.970 6.742 -4.008 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 3.456 8.270 -0.902 1.00 0.00 H new ATOM 0 HH2 TRP A 12 4.995 8.639 -2.786 1.00 0.00 H new ATOM 153 N VAL A 13 2.469 2.444 2.418 1.00 0.00 N ATOM 154 CA VAL A 13 1.571 1.997 3.476 1.00 0.00 C ATOM 155 C VAL A 13 0.158 2.526 3.258 1.00 0.00 C ATOM 156 O VAL A 13 -0.030 3.661 2.823 1.00 0.00 O ATOM 157 CB VAL A 13 2.069 2.450 4.862 1.00 0.00 C ATOM 158 CG1 VAL A 13 1.292 1.747 5.964 1.00 0.00 C ATOM 159 CG2 VAL A 13 3.562 2.191 5.002 1.00 0.00 C ATOM 0 H VAL A 13 2.628 3.451 2.397 1.00 0.00 H new ATOM 0 HA VAL A 13 1.557 0.908 3.441 1.00 0.00 H new ATOM 0 HB VAL A 13 1.899 3.522 4.958 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.657 2.079 6.936 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.233 1.988 5.873 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.428 0.669 5.874 1.00 0.00 H new ATOM 0 HG21 VAL A 13 3.897 2.517 5.987 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.759 1.125 4.886 1.00 0.00 H new ATOM 0 HG23 VAL A 13 4.101 2.745 4.234 1.00 0.00 H new ATOM 169 N GLU A 14 -0.833 1.694 3.564 1.00 0.00 N ATOM 170 CA GLU A 14 -2.229 2.078 3.401 1.00 0.00 C ATOM 171 C GLU A 14 -2.732 2.837 4.626 1.00 0.00 C ATOM 172 O GLU A 14 -2.733 2.309 5.738 1.00 0.00 O ATOM 173 CB GLU A 14 -3.098 0.841 3.162 1.00 0.00 C ATOM 174 CG GLU A 14 -4.476 1.161 2.609 1.00 0.00 C ATOM 175 CD GLU A 14 -5.142 -0.041 1.970 1.00 0.00 C ATOM 176 OE1 GLU A 14 -4.798 -0.367 0.815 1.00 0.00 O ATOM 177 OE2 GLU A 14 -6.009 -0.656 2.626 1.00 0.00 O ATOM 0 H GLU A 14 -0.694 0.750 3.926 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.299 2.735 2.534 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.584 0.175 2.469 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -3.210 0.299 4.101 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.108 1.537 3.414 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.391 1.959 1.872 1.00 0.00 H new ATOM 184 N ASN A 15 -3.158 4.077 4.414 1.00 0.00 N ATOM 185 CA ASN A 15 -3.662 4.909 5.500 1.00 0.00 C ATOM 186 C ASN A 15 -4.910 5.673 5.067 1.00 0.00 C ATOM 187 O ASN A 15 -5.288 5.654 3.896 1.00 0.00 O ATOM 188 CB ASN A 15 -2.584 5.891 5.961 1.00 0.00 C ATOM 189 CG ASN A 15 -1.262 5.206 6.251 1.00 0.00 C ATOM 190 OD1 ASN A 15 -1.218 4.183 6.935 1.00 0.00 O ATOM 191 ND2 ASN A 15 -0.178 5.767 5.730 1.00 0.00 N ATOM 0 H ASN A 15 -3.164 4.528 3.499 1.00 0.00 H new ATOM 0 HA ASN A 15 -3.928 4.255 6.331 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -2.436 6.650 5.193 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -2.927 6.407 6.858 1.00 0.00 H new ATOM 0 HD21 ASN A 15 0.739 5.350 5.890 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -0.262 6.615 5.169 1.00 0.00 H new ATOM 198 N LYS A 16 -5.546 6.346 6.020 1.00 0.00 N ATOM 199 CA LYS A 16 -6.750 7.119 5.739 1.00 0.00 C ATOM 200 C LYS A 16 -6.696 8.479 6.426 1.00 0.00 C ATOM 201 O LYS A 16 -6.610 8.564 7.652 1.00 0.00 O ATOM 202 CB LYS A 16 -7.992 6.352 6.198 1.00 0.00 C ATOM 203 CG LYS A 16 -9.292 7.099 5.960 1.00 0.00 C ATOM 204 CD LYS A 16 -9.937 6.693 4.646 1.00 0.00 C ATOM 205 CE LYS A 16 -10.929 5.555 4.841 1.00 0.00 C ATOM 206 NZ LYS A 16 -12.210 6.031 5.432 1.00 0.00 N ATOM 0 H LYS A 16 -5.247 6.372 6.995 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.806 7.278 4.662 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.032 5.396 5.676 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -7.900 6.131 7.261 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.981 6.902 6.781 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -9.100 8.172 5.956 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -10.447 7.551 4.209 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -9.165 6.388 3.939 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.127 5.078 3.881 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.489 4.797 5.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.650 5.260 5.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -12.023 6.835 6.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -12.853 6.331 4.672 1.00 0.00 H new ATOM 220 N THR A 17 -6.750 9.542 5.630 1.00 0.00 N ATOM 221 CA THR A 17 -6.708 10.899 6.163 1.00 0.00 C ATOM 222 C THR A 17 -7.753 11.093 7.255 1.00 0.00 C ATOM 223 O THR A 17 -8.767 10.396 7.309 1.00 0.00 O ATOM 224 CB THR A 17 -6.939 11.944 5.055 1.00 0.00 C ATOM 225 OG1 THR A 17 -8.266 11.819 4.532 1.00 0.00 O ATOM 226 CG2 THR A 17 -5.928 11.774 3.930 1.00 0.00 C ATOM 0 H THR A 17 -6.823 9.490 4.614 1.00 0.00 H new ATOM 0 HA THR A 17 -5.714 11.042 6.586 1.00 0.00 H new ATOM 0 HB THR A 17 -6.812 12.935 5.490 1.00 0.00 H new ATOM 0 HG1 THR A 17 -8.556 12.680 4.165 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.111 12.523 3.160 1.00 0.00 H new ATOM 0 HG22 THR A 17 -4.920 11.899 4.325 1.00 0.00 H new ATOM 0 HG23 THR A 17 -6.028 10.778 3.499 1.00 0.00 H new ATOM 234 N PRO A 18 -7.504 12.062 8.148 1.00 0.00 N ATOM 235 CA PRO A 18 -8.412 12.371 9.255 1.00 0.00 C ATOM 236 C PRO A 18 -9.712 13.011 8.777 1.00 0.00 C ATOM 237 O PRO A 18 -10.525 13.464 9.583 1.00 0.00 O ATOM 238 CB PRO A 18 -7.612 13.360 10.106 1.00 0.00 C ATOM 239 CG PRO A 18 -6.656 13.992 9.154 1.00 0.00 C ATOM 240 CD PRO A 18 -6.314 12.931 8.145 1.00 0.00 C ATOM 0 HA PRO A 18 -8.717 11.474 9.794 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.263 14.104 10.566 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -7.087 12.852 10.915 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.103 14.860 8.671 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -5.762 14.341 9.672 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.131 13.358 7.159 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -5.415 12.383 8.427 1.00 0.00 H new ATOM 248 N ASP A 19 -9.901 13.044 7.463 1.00 0.00 N ATOM 249 CA ASP A 19 -11.103 13.628 6.877 1.00 0.00 C ATOM 250 C ASP A 19 -11.963 12.553 6.222 1.00 0.00 C ATOM 251 O ASP A 19 -13.179 12.702 6.103 1.00 0.00 O ATOM 252 CB ASP A 19 -10.728 14.696 5.851 1.00 0.00 C ATOM 253 CG ASP A 19 -10.176 15.952 6.495 1.00 0.00 C ATOM 254 OD1 ASP A 19 -9.618 15.850 7.608 1.00 0.00 O ATOM 255 OD2 ASP A 19 -10.303 17.037 5.889 1.00 0.00 O ATOM 0 H ASP A 19 -9.238 12.673 6.783 1.00 0.00 H new ATOM 0 HA ASP A 19 -11.680 14.092 7.677 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -9.987 14.289 5.162 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -11.607 14.951 5.259 1.00 0.00 H new ATOM 260 N GLY A 20 -11.324 11.468 5.794 1.00 0.00 N ATOM 261 CA GLY A 20 -12.047 10.385 5.153 1.00 0.00 C ATOM 262 C GLY A 20 -11.562 10.118 3.742 1.00 0.00 C ATOM 263 O GLY A 20 -12.361 10.020 2.811 1.00 0.00 O ATOM 0 H GLY A 20 -10.318 11.320 5.880 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -11.939 9.478 5.748 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -13.110 10.626 5.129 1.00 0.00 H new ATOM 267 N LYS A 21 -10.247 10.004 3.582 1.00 0.00 N ATOM 268 CA LYS A 21 -9.655 9.749 2.275 1.00 0.00 C ATOM 269 C LYS A 21 -8.451 8.820 2.394 1.00 0.00 C ATOM 270 O LYS A 21 -7.454 9.161 3.032 1.00 0.00 O ATOM 271 CB LYS A 21 -9.235 11.064 1.615 1.00 0.00 C ATOM 272 CG LYS A 21 -10.404 11.894 1.116 1.00 0.00 C ATOM 273 CD LYS A 21 -10.859 12.903 2.157 1.00 0.00 C ATOM 274 CE LYS A 21 -10.135 14.231 2.000 1.00 0.00 C ATOM 275 NZ LYS A 21 -10.876 15.162 1.103 1.00 0.00 N ATOM 0 H LYS A 21 -9.572 10.084 4.342 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.407 9.263 1.654 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -8.661 11.653 2.331 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.572 10.845 0.778 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.117 12.416 0.204 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.234 11.236 0.859 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.934 13.061 2.067 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.678 12.504 3.155 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.008 14.694 2.979 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.137 14.056 1.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.351 16.056 1.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.976 14.731 0.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.819 15.349 1.500 1.00 0.00 H new ATOM 289 N VAL A 22 -8.548 7.648 1.777 1.00 0.00 N ATOM 290 CA VAL A 22 -7.467 6.671 1.813 1.00 0.00 C ATOM 291 C VAL A 22 -6.294 7.119 0.947 1.00 0.00 C ATOM 292 O VAL A 22 -6.470 7.475 -0.218 1.00 0.00 O ATOM 293 CB VAL A 22 -7.943 5.286 1.337 1.00 0.00 C ATOM 294 CG1 VAL A 22 -6.778 4.484 0.779 1.00 0.00 C ATOM 295 CG2 VAL A 22 -8.622 4.537 2.473 1.00 0.00 C ATOM 0 H VAL A 22 -9.366 7.351 1.245 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.143 6.597 2.851 1.00 0.00 H new ATOM 0 HB VAL A 22 -8.672 5.426 0.538 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.134 3.508 0.448 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.341 5.017 -0.065 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.023 4.351 1.554 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -8.952 3.560 2.119 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.918 4.406 3.295 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -9.484 5.107 2.821 1.00 0.00 H new ATOM 305 N TYR A 23 -5.098 7.097 1.524 1.00 0.00 N ATOM 306 CA TYR A 23 -3.895 7.503 0.805 1.00 0.00 C ATOM 307 C TYR A 23 -2.765 6.503 1.028 1.00 0.00 C ATOM 308 O TYR A 23 -2.917 5.530 1.767 1.00 0.00 O ATOM 309 CB TYR A 23 -3.454 8.897 1.253 1.00 0.00 C ATOM 310 CG TYR A 23 -3.018 8.958 2.700 1.00 0.00 C ATOM 311 CD1 TYR A 23 -3.936 8.801 3.730 1.00 0.00 C ATOM 312 CD2 TYR A 23 -1.687 9.171 3.036 1.00 0.00 C ATOM 313 CE1 TYR A 23 -3.542 8.857 5.053 1.00 0.00 C ATOM 314 CE2 TYR A 23 -1.283 9.228 4.356 1.00 0.00 C ATOM 315 CZ TYR A 23 -2.215 9.071 5.361 1.00 0.00 C ATOM 316 OH TYR A 23 -1.817 9.125 6.677 1.00 0.00 O ATOM 0 H TYR A 23 -4.935 6.803 2.487 1.00 0.00 H new ATOM 0 HA TYR A 23 -4.129 7.528 -0.259 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -2.631 9.230 0.620 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -4.276 9.596 1.100 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -4.976 8.632 3.493 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -0.955 9.294 2.251 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -4.269 8.734 5.842 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -0.244 9.394 4.600 1.00 0.00 H new ATOM 0 HH TYR A 23 -0.850 9.281 6.720 1.00 0.00 H new ATOM 326 N TYR A 24 -1.630 6.750 0.382 1.00 0.00 N ATOM 327 CA TYR A 24 -0.473 5.872 0.506 1.00 0.00 C ATOM 328 C TYR A 24 0.751 6.648 0.983 1.00 0.00 C ATOM 329 O TYR A 24 1.014 7.759 0.522 1.00 0.00 O ATOM 330 CB TYR A 24 -0.173 5.195 -0.832 1.00 0.00 C ATOM 331 CG TYR A 24 -1.271 4.267 -1.300 1.00 0.00 C ATOM 332 CD1 TYR A 24 -1.780 3.283 -0.463 1.00 0.00 C ATOM 333 CD2 TYR A 24 -1.800 4.375 -2.581 1.00 0.00 C ATOM 334 CE1 TYR A 24 -2.782 2.432 -0.887 1.00 0.00 C ATOM 335 CE2 TYR A 24 -2.803 3.530 -3.014 1.00 0.00 C ATOM 336 CZ TYR A 24 -3.291 2.559 -2.163 1.00 0.00 C ATOM 337 OH TYR A 24 -4.290 1.716 -2.590 1.00 0.00 O ATOM 0 H TYR A 24 -1.487 7.551 -0.233 1.00 0.00 H new ATOM 0 HA TYR A 24 -0.707 5.107 1.247 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.010 5.962 -1.589 1.00 0.00 H new ATOM 0 HB3 TYR A 24 0.755 4.631 -0.744 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.386 3.181 0.537 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -1.420 5.133 -3.250 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -3.165 1.671 -0.223 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -3.203 3.628 -4.012 1.00 0.00 H new ATOM 0 HH TYR A 24 -4.535 1.940 -3.512 1.00 0.00 H new ATOM 347 N TYR A 25 1.498 6.054 1.907 1.00 0.00 N ATOM 348 CA TYR A 25 2.694 6.688 2.448 1.00 0.00 C ATOM 349 C TYR A 25 3.925 5.820 2.213 1.00 0.00 C ATOM 350 O TYR A 25 3.944 4.642 2.569 1.00 0.00 O ATOM 351 CB TYR A 25 2.522 6.956 3.944 1.00 0.00 C ATOM 352 CG TYR A 25 3.825 7.218 4.666 1.00 0.00 C ATOM 353 CD1 TYR A 25 4.640 6.170 5.074 1.00 0.00 C ATOM 354 CD2 TYR A 25 4.241 8.516 4.938 1.00 0.00 C ATOM 355 CE1 TYR A 25 5.830 6.405 5.734 1.00 0.00 C ATOM 356 CE2 TYR A 25 5.431 8.761 5.596 1.00 0.00 C ATOM 357 CZ TYR A 25 6.222 7.702 5.993 1.00 0.00 C ATOM 358 OH TYR A 25 7.408 7.941 6.648 1.00 0.00 O ATOM 0 H TYR A 25 1.296 5.133 2.297 1.00 0.00 H new ATOM 0 HA TYR A 25 2.837 7.636 1.930 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.863 7.814 4.077 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.027 6.100 4.403 1.00 0.00 H new ATOM 0 HD1 TYR A 25 4.338 5.153 4.871 1.00 0.00 H new ATOM 0 HD2 TYR A 25 3.624 9.347 4.630 1.00 0.00 H new ATOM 0 HE1 TYR A 25 6.450 5.578 6.046 1.00 0.00 H new ATOM 0 HE2 TYR A 25 5.740 9.776 5.799 1.00 0.00 H new ATOM 0 HH TYR A 25 7.536 8.907 6.750 1.00 0.00 H new ATOM 368 N ASN A 26 4.952 6.410 1.611 1.00 0.00 N ATOM 369 CA ASN A 26 6.188 5.691 1.328 1.00 0.00 C ATOM 370 C ASN A 26 7.123 5.719 2.534 1.00 0.00 C ATOM 371 O ASN A 26 7.389 6.777 3.101 1.00 0.00 O ATOM 372 CB ASN A 26 6.890 6.300 0.112 1.00 0.00 C ATOM 373 CG ASN A 26 7.667 5.269 -0.683 1.00 0.00 C ATOM 374 OD1 ASN A 26 8.854 5.447 -0.960 1.00 0.00 O ATOM 375 ND2 ASN A 26 6.999 4.183 -1.057 1.00 0.00 N ATOM 0 H ASN A 26 4.953 7.384 1.310 1.00 0.00 H new ATOM 0 HA ASN A 26 5.933 4.654 1.112 1.00 0.00 H new ATOM 0 HB2 ASN A 26 6.149 6.770 -0.534 1.00 0.00 H new ATOM 0 HB3 ASN A 26 7.568 7.086 0.443 1.00 0.00 H new ATOM 0 HD21 ASN A 26 7.469 3.455 -1.596 1.00 0.00 H new ATOM 0 HD22 ASN A 26 6.016 4.077 -0.805 1.00 0.00 H new ATOM 382 N ALA A 27 7.616 4.547 2.920 1.00 0.00 N ATOM 383 CA ALA A 27 8.522 4.436 4.057 1.00 0.00 C ATOM 384 C ALA A 27 9.953 4.779 3.655 1.00 0.00 C ATOM 385 O ALA A 27 10.822 4.959 4.507 1.00 0.00 O ATOM 386 CB ALA A 27 8.460 3.036 4.648 1.00 0.00 C ATOM 0 H ALA A 27 7.403 3.661 2.462 1.00 0.00 H new ATOM 0 HA ALA A 27 8.203 5.152 4.814 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.142 2.968 5.496 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.444 2.827 4.982 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.750 2.308 3.890 1.00 0.00 H new ATOM 392 N ARG A 28 10.190 4.869 2.349 1.00 0.00 N ATOM 393 CA ARG A 28 11.516 5.189 1.835 1.00 0.00 C ATOM 394 C ARG A 28 11.680 6.695 1.656 1.00 0.00 C ATOM 395 O ARG A 28 12.692 7.273 2.056 1.00 0.00 O ATOM 396 CB ARG A 28 11.754 4.478 0.501 1.00 0.00 C ATOM 397 CG ARG A 28 13.157 4.670 -0.050 1.00 0.00 C ATOM 398 CD ARG A 28 13.308 6.024 -0.727 1.00 0.00 C ATOM 399 NE ARG A 28 14.445 6.054 -1.642 1.00 0.00 N ATOM 400 CZ ARG A 28 14.999 7.176 -2.091 1.00 0.00 C ATOM 401 NH1 ARG A 28 14.522 8.353 -1.708 1.00 0.00 N ATOM 402 NH2 ARG A 28 16.031 7.121 -2.921 1.00 0.00 N ATOM 0 H ARG A 28 9.482 4.725 1.629 1.00 0.00 H new ATOM 0 HA ARG A 28 12.253 4.844 2.560 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.566 3.412 0.629 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.033 4.844 -0.230 1.00 0.00 H new ATOM 0 HG2 ARG A 28 13.882 4.583 0.759 1.00 0.00 H new ATOM 0 HG3 ARG A 28 13.380 3.878 -0.764 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.395 6.259 -1.275 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.433 6.797 0.032 1.00 0.00 H new ATOM 0 HE ARG A 28 14.836 5.165 -1.954 1.00 0.00 H new ATOM 0 HH11 ARG A 28 13.729 8.398 -1.068 1.00 0.00 H new ATOM 0 HH12 ARG A 28 14.948 9.213 -2.053 1.00 0.00 H new ATOM 0 HH21 ARG A 28 16.401 6.217 -3.216 1.00 0.00 H new ATOM 0 HH22 ARG A 28 16.455 7.982 -3.265 1.00 0.00 H new ATOM 416 N THR A 29 10.680 7.328 1.052 1.00 0.00 N ATOM 417 CA THR A 29 10.713 8.766 0.818 1.00 0.00 C ATOM 418 C THR A 29 9.998 9.521 1.932 1.00 0.00 C ATOM 419 O THR A 29 10.244 10.708 2.148 1.00 0.00 O ATOM 420 CB THR A 29 10.069 9.132 -0.532 1.00 0.00 C ATOM 421 OG1 THR A 29 8.642 9.120 -0.412 1.00 0.00 O ATOM 422 CG2 THR A 29 10.499 8.157 -1.619 1.00 0.00 C ATOM 0 H THR A 29 9.835 6.866 0.715 1.00 0.00 H new ATOM 0 HA THR A 29 11.763 9.059 0.801 1.00 0.00 H new ATOM 0 HB THR A 29 10.403 10.132 -0.810 1.00 0.00 H new ATOM 0 HG1 THR A 29 8.239 9.355 -1.274 1.00 0.00 H new ATOM 0 HG21 THR A 29 10.032 8.436 -2.563 1.00 0.00 H new ATOM 0 HG22 THR A 29 11.583 8.188 -1.728 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.191 7.148 -1.345 1.00 0.00 H new ATOM 430 N ARG A 30 9.111 8.825 2.636 1.00 0.00 N ATOM 431 CA ARG A 30 8.358 9.432 3.728 1.00 0.00 C ATOM 432 C ARG A 30 7.435 10.530 3.208 1.00 0.00 C ATOM 433 O ARG A 30 7.361 11.615 3.783 1.00 0.00 O ATOM 434 CB ARG A 30 9.313 10.006 4.776 1.00 0.00 C ATOM 435 CG ARG A 30 10.295 8.987 5.329 1.00 0.00 C ATOM 436 CD ARG A 30 11.463 9.663 6.030 1.00 0.00 C ATOM 437 NE ARG A 30 12.379 8.693 6.625 1.00 0.00 N ATOM 438 CZ ARG A 30 13.428 9.033 7.367 1.00 0.00 C ATOM 439 NH1 ARG A 30 13.693 10.310 7.602 1.00 0.00 N ATOM 440 NH2 ARG A 30 14.215 8.092 7.874 1.00 0.00 N ATOM 0 H ARG A 30 8.896 7.842 2.470 1.00 0.00 H new ATOM 0 HA ARG A 30 7.746 8.657 4.190 1.00 0.00 H new ATOM 0 HB2 ARG A 30 9.870 10.832 4.334 1.00 0.00 H new ATOM 0 HB3 ARG A 30 8.730 10.419 5.599 1.00 0.00 H new ATOM 0 HG2 ARG A 30 9.781 8.328 6.029 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.668 8.362 4.518 1.00 0.00 H new ATOM 0 HD2 ARG A 30 12.005 10.283 5.316 1.00 0.00 H new ATOM 0 HD3 ARG A 30 11.084 10.328 6.806 1.00 0.00 H new ATOM 0 HE ARG A 30 12.204 7.701 6.462 1.00 0.00 H new ATOM 0 HH11 ARG A 30 13.091 11.036 7.213 1.00 0.00 H new ATOM 0 HH12 ARG A 30 14.499 10.567 8.172 1.00 0.00 H new ATOM 0 HH21 ARG A 30 14.015 7.108 7.694 1.00 0.00 H new ATOM 0 HH22 ARG A 30 15.020 8.353 8.443 1.00 0.00 H new ATOM 454 N GLU A 31 6.735 10.240 2.116 1.00 0.00 N ATOM 455 CA GLU A 31 5.818 11.204 1.519 1.00 0.00 C ATOM 456 C GLU A 31 4.377 10.714 1.612 1.00 0.00 C ATOM 457 O GLU A 31 4.118 9.588 2.039 1.00 0.00 O ATOM 458 CB GLU A 31 6.190 11.456 0.056 1.00 0.00 C ATOM 459 CG GLU A 31 7.401 12.356 -0.118 1.00 0.00 C ATOM 460 CD GLU A 31 7.187 13.740 0.462 1.00 0.00 C ATOM 461 OE1 GLU A 31 6.469 14.545 -0.169 1.00 0.00 O ATOM 462 OE2 GLU A 31 7.738 14.020 1.547 1.00 0.00 O ATOM 0 H GLU A 31 6.785 9.346 1.627 1.00 0.00 H new ATOM 0 HA GLU A 31 5.902 12.138 2.074 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.385 10.500 -0.430 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.338 11.905 -0.455 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.264 11.894 0.362 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.635 12.443 -1.179 1.00 0.00 H new ATOM 469 N SER A 32 3.440 11.567 1.209 1.00 0.00 N ATOM 470 CA SER A 32 2.024 11.223 1.250 1.00 0.00 C ATOM 471 C SER A 32 1.358 11.497 -0.096 1.00 0.00 C ATOM 472 O SER A 32 1.310 12.637 -0.556 1.00 0.00 O ATOM 473 CB SER A 32 1.316 12.016 2.351 1.00 0.00 C ATOM 474 OG SER A 32 1.606 13.399 2.250 1.00 0.00 O ATOM 0 H SER A 32 3.637 12.501 0.850 1.00 0.00 H new ATOM 0 HA SER A 32 1.941 10.158 1.467 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.239 11.861 2.280 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.628 11.646 3.328 1.00 0.00 H new ATOM 0 HG SER A 32 1.635 13.659 1.306 1.00 0.00 H new ATOM 480 N ALA A 33 0.847 10.441 -0.721 1.00 0.00 N ATOM 481 CA ALA A 33 0.184 10.566 -2.012 1.00 0.00 C ATOM 482 C ALA A 33 -0.996 9.606 -2.118 1.00 0.00 C ATOM 483 O ALA A 33 -0.888 8.433 -1.765 1.00 0.00 O ATOM 484 CB ALA A 33 1.173 10.314 -3.141 1.00 0.00 C ATOM 0 H ALA A 33 0.880 9.490 -0.354 1.00 0.00 H new ATOM 0 HA ALA A 33 -0.198 11.583 -2.099 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.663 10.411 -4.100 1.00 0.00 H new ATOM 0 HB2 ALA A 33 1.982 11.042 -3.085 1.00 0.00 H new ATOM 0 HB3 ALA A 33 1.583 9.308 -3.048 1.00 0.00 H new ATOM 490 N TRP A 34 -2.124 10.114 -2.605 1.00 0.00 N ATOM 491 CA TRP A 34 -3.326 9.301 -2.756 1.00 0.00 C ATOM 492 C TRP A 34 -2.998 7.960 -3.402 1.00 0.00 C ATOM 493 O TRP A 34 -3.301 6.901 -2.850 1.00 0.00 O ATOM 494 CB TRP A 34 -4.367 10.044 -3.593 1.00 0.00 C ATOM 495 CG TRP A 34 -4.896 11.277 -2.925 1.00 0.00 C ATOM 496 CD1 TRP A 34 -4.957 12.535 -3.454 1.00 0.00 C ATOM 497 CD2 TRP A 34 -5.439 11.370 -1.603 1.00 0.00 C ATOM 498 NE1 TRP A 34 -5.504 13.403 -2.540 1.00 0.00 N ATOM 499 CE2 TRP A 34 -5.809 12.713 -1.397 1.00 0.00 C ATOM 500 CE3 TRP A 34 -5.650 10.448 -0.574 1.00 0.00 C ATOM 501 CZ2 TRP A 34 -6.375 13.155 -0.205 1.00 0.00 C ATOM 502 CZ3 TRP A 34 -6.212 10.888 0.610 1.00 0.00 C ATOM 503 CH2 TRP A 34 -6.570 12.231 0.786 1.00 0.00 C ATOM 0 H TRP A 34 -2.231 11.084 -2.902 1.00 0.00 H new ATOM 0 HA TRP A 34 -3.735 9.114 -1.763 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -3.924 10.320 -4.550 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -5.197 9.371 -3.808 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -4.624 12.807 -4.445 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -5.658 14.400 -2.689 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -5.379 9.410 -0.702 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -6.651 14.190 -0.067 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -6.378 10.185 1.413 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -7.009 12.544 1.722 1.00 0.00 H new ATOM 514 N THR A 35 -2.377 8.011 -4.577 1.00 0.00 N ATOM 515 CA THR A 35 -2.008 6.799 -5.299 1.00 0.00 C ATOM 516 C THR A 35 -0.495 6.621 -5.339 1.00 0.00 C ATOM 517 O THR A 35 0.258 7.582 -5.176 1.00 0.00 O ATOM 518 CB THR A 35 -2.550 6.818 -6.741 1.00 0.00 C ATOM 519 OG1 THR A 35 -2.257 5.577 -7.391 1.00 0.00 O ATOM 520 CG2 THR A 35 -1.942 7.967 -7.532 1.00 0.00 C ATOM 0 H THR A 35 -2.119 8.878 -5.048 1.00 0.00 H new ATOM 0 HA THR A 35 -2.455 5.963 -4.761 1.00 0.00 H new ATOM 0 HB THR A 35 -3.630 6.958 -6.698 1.00 0.00 H new ATOM 0 HG1 THR A 35 -2.606 5.597 -8.306 1.00 0.00 H new ATOM 0 HG21 THR A 35 -2.339 7.960 -8.547 1.00 0.00 H new ATOM 0 HG22 THR A 35 -2.192 8.912 -7.051 1.00 0.00 H new ATOM 0 HG23 THR A 35 -0.859 7.852 -7.566 1.00 0.00 H new ATOM 528 N LYS A 36 -0.055 5.387 -5.560 1.00 0.00 N ATOM 529 CA LYS A 36 1.370 5.083 -5.623 1.00 0.00 C ATOM 530 C LYS A 36 1.915 5.326 -7.028 1.00 0.00 C ATOM 531 O LYS A 36 1.206 5.197 -8.026 1.00 0.00 O ATOM 532 CB LYS A 36 1.622 3.630 -5.212 1.00 0.00 C ATOM 533 CG LYS A 36 1.185 3.317 -3.791 1.00 0.00 C ATOM 534 CD LYS A 36 1.040 1.822 -3.569 1.00 0.00 C ATOM 535 CE LYS A 36 -0.281 1.302 -4.116 1.00 0.00 C ATOM 536 NZ LYS A 36 -0.236 1.119 -5.593 1.00 0.00 N ATOM 0 H LYS A 36 -0.665 4.581 -5.699 1.00 0.00 H new ATOM 0 HA LYS A 36 1.889 5.745 -4.930 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.094 2.970 -5.900 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.685 3.411 -5.313 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.913 3.721 -3.088 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.235 3.810 -3.585 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.866 1.300 -4.052 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.105 1.604 -2.503 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.523 0.352 -3.640 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.079 1.999 -3.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.647 0.196 -5.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.781 1.876 -6.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.751 1.157 -5.918 1.00 0.00 H new ATOM 550 N PRO A 37 3.206 5.684 -7.109 1.00 0.00 N ATOM 551 CA PRO A 37 3.875 5.949 -8.385 1.00 0.00 C ATOM 552 C PRO A 37 4.073 4.683 -9.211 1.00 0.00 C ATOM 553 O PRO A 37 3.893 3.571 -8.712 1.00 0.00 O ATOM 554 CB PRO A 37 5.227 6.529 -7.964 1.00 0.00 C ATOM 555 CG PRO A 37 5.466 5.979 -6.600 1.00 0.00 C ATOM 556 CD PRO A 37 4.110 5.855 -5.960 1.00 0.00 C ATOM 0 HA PRO A 37 3.290 6.614 -9.020 1.00 0.00 H new ATOM 0 HB2 PRO A 37 6.017 6.233 -8.654 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.204 7.619 -7.953 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.963 5.010 -6.651 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.112 6.639 -6.021 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.062 5.004 -5.281 1.00 0.00 H new ATOM 0 HD3 PRO A 37 3.857 6.741 -5.378 1.00 0.00 H new ATOM 564 N ASP A 38 4.443 4.857 -10.475 1.00 0.00 N ATOM 565 CA ASP A 38 4.667 3.727 -11.369 1.00 0.00 C ATOM 566 C ASP A 38 6.148 3.367 -11.430 1.00 0.00 C ATOM 567 O ASP A 38 7.007 4.244 -11.524 1.00 0.00 O ATOM 568 CB ASP A 38 4.150 4.049 -12.772 1.00 0.00 C ATOM 569 CG ASP A 38 4.104 2.827 -13.668 1.00 0.00 C ATOM 570 OD1 ASP A 38 5.143 2.498 -14.275 1.00 0.00 O ATOM 571 OD2 ASP A 38 3.028 2.198 -13.760 1.00 0.00 O ATOM 0 H ASP A 38 4.594 5.770 -10.904 1.00 0.00 H new ATOM 0 HA ASP A 38 4.119 2.871 -10.976 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.151 4.479 -12.698 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.790 4.805 -13.227 1.00 0.00 H new ATOM 576 N GLY A 39 6.440 2.072 -11.376 1.00 0.00 N ATOM 577 CA GLY A 39 7.818 1.619 -11.425 1.00 0.00 C ATOM 578 C GLY A 39 8.563 1.885 -10.132 1.00 0.00 C ATOM 579 O GLY A 39 9.715 2.317 -10.147 1.00 0.00 O ATOM 0 H GLY A 39 5.747 1.328 -11.299 1.00 0.00 H new ATOM 0 HA2 GLY A 39 7.838 0.550 -11.639 1.00 0.00 H new ATOM 0 HA3 GLY A 39 8.332 2.118 -12.246 1.00 0.00 H new ATOM 583 N VAL A 40 7.902 1.628 -9.007 1.00 0.00 N ATOM 584 CA VAL A 40 8.507 1.844 -7.698 1.00 0.00 C ATOM 585 C VAL A 40 9.865 1.156 -7.602 1.00 0.00 C ATOM 586 O VAL A 40 10.749 1.605 -6.873 1.00 0.00 O ATOM 587 CB VAL A 40 7.599 1.326 -6.567 1.00 0.00 C ATOM 588 CG1 VAL A 40 8.192 1.665 -5.208 1.00 0.00 C ATOM 589 CG2 VAL A 40 6.198 1.900 -6.705 1.00 0.00 C ATOM 0 H VAL A 40 6.947 1.270 -8.976 1.00 0.00 H new ATOM 0 HA VAL A 40 8.638 2.920 -7.583 1.00 0.00 H new ATOM 0 HB VAL A 40 7.532 0.241 -6.646 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.537 1.291 -4.421 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.174 1.201 -5.113 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.291 2.746 -5.114 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.569 1.524 -5.898 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.244 2.988 -6.652 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.775 1.601 -7.664 1.00 0.00 H new TER 599 VAL A 40