USER MOD reduce.3.24.130724 H: found=0, std=0, add=463, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 377 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 -41:sc= 1.18 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0571 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.622 USER MOD Single : A 13 HIS : no HD1:sc= -0.425 X(o=-0.43,f=-0.14) USER MOD Single : A 18 GLN : amide:sc= -7.04! C(o=-7!,f=-16!) USER MOD Single : A 25 GLN : amide:sc= -0.142 K(o=-0.14,f=-0.65) USER MOD Single : A 28 GLN : amide:sc= -0.139 K(o=-0.14,f=-0.75) USER MOD Single : A 29 GLN : amide:sc=-0.00413 X(o=-0.0041,f=0) USER MOD Single : A 32 LYS NZ :NH3+ -158:sc= -0.0812 (180deg=-0.525) USER MOD Single : A 36 SER OG : rot 53:sc= -1.17 USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc=-0.00843 X(o=-0.0084,f=-0.0058) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.105 USER MOD Single : A 44 GLN : amide:sc= -0.213 K(o=-0.21,f=-2.2!) USER MOD Single : A 45 GLN : amide:sc= -3.23! C(o=-3.2!,f=-2.3!) USER MOD Single : A 46 CYS SG : rot 87:sc= -0.158 USER MOD Single : A 47 GLN : amide:sc= -6.32! C(o=-6.3!,f=-8.2!) USER MOD Single : A 48 TYR OH : rot 180:sc= -0.185 USER MOD Single : A 55 SER OG : rot 38:sc= 1.13 USER MOD Single : A 58 SER OG : rot 2:sc= 0.186 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.780 10.553 -12.854 1.00 0.00 N ATOM 2 CA GLY A 1 -6.262 10.149 -14.163 1.00 0.00 C ATOM 3 C GLY A 1 -7.438 9.179 -14.039 1.00 0.00 C ATOM 4 O GLY A 1 -8.531 9.571 -13.629 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.982 11.211 -12.966 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.546 11.024 -12.332 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.466 9.714 -12.326 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.570 11.029 -14.729 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.454 9.677 -14.722 1.00 0.00 H new ATOM 8 N SER A 2 -7.177 7.932 -14.401 1.00 0.00 N ATOM 9 CA SER A 2 -8.201 6.902 -14.335 1.00 0.00 C ATOM 10 C SER A 2 -7.643 5.576 -14.854 1.00 0.00 C ATOM 11 O SER A 2 -7.071 5.522 -15.941 1.00 0.00 O ATOM 12 CB SER A 2 -9.440 7.307 -15.136 1.00 0.00 C ATOM 13 OG SER A 2 -10.646 7.030 -14.428 1.00 0.00 O ATOM 0 H SER A 2 -6.271 7.611 -14.741 1.00 0.00 H new ATOM 0 HA SER A 2 -8.498 6.780 -13.293 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.391 8.371 -15.367 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.447 6.775 -16.087 1.00 0.00 H new ATOM 0 HG SER A 2 -11.414 7.304 -14.971 1.00 0.00 H new ATOM 18 N SER A 3 -7.829 4.538 -14.052 1.00 0.00 N ATOM 19 CA SER A 3 -7.352 3.214 -14.417 1.00 0.00 C ATOM 20 C SER A 3 -5.840 3.248 -14.645 1.00 0.00 C ATOM 21 O SER A 3 -5.261 4.318 -14.832 1.00 0.00 O ATOM 22 CB SER A 3 -8.067 2.697 -15.667 1.00 0.00 C ATOM 23 OG SER A 3 -7.463 3.177 -16.865 1.00 0.00 O ATOM 0 H SER A 3 -8.304 4.587 -13.150 1.00 0.00 H new ATOM 0 HA SER A 3 -7.574 2.531 -13.597 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.055 1.607 -15.667 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.112 3.004 -15.640 1.00 0.00 H new ATOM 0 HG SER A 3 -7.225 4.121 -16.756 1.00 0.00 H new ATOM 28 N GLY A 4 -5.244 2.065 -14.626 1.00 0.00 N ATOM 29 CA GLY A 4 -3.810 1.946 -14.828 1.00 0.00 C ATOM 30 C GLY A 4 -3.466 0.646 -15.558 1.00 0.00 C ATOM 31 O GLY A 4 -4.216 0.200 -16.424 1.00 0.00 O ATOM 0 H GLY A 4 -5.728 1.180 -14.474 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.448 2.798 -15.404 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.300 1.973 -13.865 1.00 0.00 H new ATOM 35 N SER A 5 -2.331 0.076 -15.181 1.00 0.00 N ATOM 36 CA SER A 5 -1.878 -1.164 -15.788 1.00 0.00 C ATOM 37 C SER A 5 -1.040 -1.961 -14.788 1.00 0.00 C ATOM 38 O SER A 5 -1.362 -3.107 -14.475 1.00 0.00 O ATOM 39 CB SER A 5 -1.070 -0.891 -17.060 1.00 0.00 C ATOM 40 OG SER A 5 0.011 0.006 -16.823 1.00 0.00 O ATOM 0 H SER A 5 -1.711 0.450 -14.462 1.00 0.00 H new ATOM 0 HA SER A 5 -2.755 -1.750 -16.065 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.682 -1.831 -17.452 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.726 -0.474 -17.824 1.00 0.00 H new ATOM 0 HG SER A 5 0.503 0.153 -17.658 1.00 0.00 H new ATOM 45 N SER A 6 0.021 -1.324 -14.312 1.00 0.00 N ATOM 46 CA SER A 6 0.908 -1.961 -13.353 1.00 0.00 C ATOM 47 C SER A 6 1.890 -0.933 -12.787 1.00 0.00 C ATOM 48 O SER A 6 2.144 0.097 -13.410 1.00 0.00 O ATOM 49 CB SER A 6 1.667 -3.124 -13.993 1.00 0.00 C ATOM 50 OG SER A 6 1.932 -4.167 -13.059 1.00 0.00 O ATOM 0 H SER A 6 0.286 -0.374 -14.573 1.00 0.00 H new ATOM 0 HA SER A 6 0.303 -2.362 -12.540 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.086 -3.522 -14.825 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.608 -2.760 -14.406 1.00 0.00 H new ATOM 0 HG SER A 6 2.416 -4.892 -13.507 1.00 0.00 H new ATOM 55 N GLY A 7 2.415 -1.248 -11.613 1.00 0.00 N ATOM 56 CA GLY A 7 3.364 -0.364 -10.956 1.00 0.00 C ATOM 57 C GLY A 7 4.797 -0.684 -11.384 1.00 0.00 C ATOM 58 O GLY A 7 5.028 -1.627 -12.140 1.00 0.00 O ATOM 0 H GLY A 7 2.202 -2.103 -11.099 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.130 0.672 -11.200 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.272 -0.465 -9.875 1.00 0.00 H new ATOM 62 N LYS A 8 5.724 0.120 -10.883 1.00 0.00 N ATOM 63 CA LYS A 8 7.128 -0.064 -11.204 1.00 0.00 C ATOM 64 C LYS A 8 7.846 -0.678 -10.001 1.00 0.00 C ATOM 65 O LYS A 8 8.358 -1.794 -10.081 1.00 0.00 O ATOM 66 CB LYS A 8 7.746 1.251 -11.684 1.00 0.00 C ATOM 67 CG LYS A 8 8.573 1.038 -12.953 1.00 0.00 C ATOM 68 CD LYS A 8 9.941 1.712 -12.835 1.00 0.00 C ATOM 69 CE LYS A 8 10.946 0.796 -12.135 1.00 0.00 C ATOM 70 NZ LYS A 8 11.474 1.443 -10.913 1.00 0.00 N ATOM 0 H LYS A 8 5.529 0.901 -10.257 1.00 0.00 H new ATOM 0 HA LYS A 8 7.240 -0.763 -12.033 1.00 0.00 H new ATOM 0 HB2 LYS A 8 6.957 1.978 -11.878 1.00 0.00 H new ATOM 0 HB3 LYS A 8 8.378 1.667 -10.900 1.00 0.00 H new ATOM 0 HG2 LYS A 8 8.704 -0.029 -13.131 1.00 0.00 H new ATOM 0 HG3 LYS A 8 8.038 1.442 -13.812 1.00 0.00 H new ATOM 0 HD2 LYS A 8 10.310 1.971 -13.828 1.00 0.00 H new ATOM 0 HD3 LYS A 8 9.844 2.644 -12.278 1.00 0.00 H new ATOM 0 HE2 LYS A 8 10.467 -0.148 -11.876 1.00 0.00 H new ATOM 0 HE3 LYS A 8 11.767 0.561 -12.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 12.155 0.807 -10.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 11.949 2.332 -11.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 10.690 1.645 -10.260 1.00 0.00 H new ATOM 79 N VAL A 9 7.861 0.077 -8.913 1.00 0.00 N ATOM 80 CA VAL A 9 8.508 -0.378 -7.694 1.00 0.00 C ATOM 81 C VAL A 9 8.174 -1.854 -7.466 1.00 0.00 C ATOM 82 O VAL A 9 7.220 -2.375 -8.041 1.00 0.00 O ATOM 83 CB VAL A 9 8.100 0.515 -6.520 1.00 0.00 C ATOM 84 CG1 VAL A 9 8.587 -0.070 -5.192 1.00 0.00 C ATOM 85 CG2 VAL A 9 8.616 1.942 -6.713 1.00 0.00 C ATOM 0 H VAL A 9 7.435 1.002 -8.850 1.00 0.00 H new ATOM 0 HA VAL A 9 9.591 -0.299 -7.784 1.00 0.00 H new ATOM 0 HB VAL A 9 7.011 0.554 -6.490 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.284 0.583 -4.374 1.00 0.00 H new ATOM 0 HG12 VAL A 9 8.150 -1.058 -5.048 1.00 0.00 H new ATOM 0 HG13 VAL A 9 9.674 -0.152 -5.207 1.00 0.00 H new ATOM 0 HG21 VAL A 9 8.313 2.556 -5.865 1.00 0.00 H new ATOM 0 HG22 VAL A 9 9.704 1.929 -6.781 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.200 2.358 -7.630 1.00 0.00 H new ATOM 95 N LYS A 10 8.981 -2.487 -6.626 1.00 0.00 N ATOM 96 CA LYS A 10 8.783 -3.892 -6.315 1.00 0.00 C ATOM 97 C LYS A 10 8.367 -4.033 -4.849 1.00 0.00 C ATOM 98 O LYS A 10 9.028 -3.499 -3.959 1.00 0.00 O ATOM 99 CB LYS A 10 10.029 -4.702 -6.681 1.00 0.00 C ATOM 100 CG LYS A 10 9.715 -5.728 -7.772 1.00 0.00 C ATOM 101 CD LYS A 10 10.902 -5.898 -8.722 1.00 0.00 C ATOM 102 CE LYS A 10 10.505 -5.568 -10.162 1.00 0.00 C ATOM 103 NZ LYS A 10 11.669 -5.055 -10.917 1.00 0.00 N ATOM 0 H LYS A 10 9.773 -2.052 -6.152 1.00 0.00 H new ATOM 0 HA LYS A 10 7.973 -4.305 -6.917 1.00 0.00 H new ATOM 0 HB2 LYS A 10 10.816 -4.030 -7.024 1.00 0.00 H new ATOM 0 HB3 LYS A 10 10.409 -5.212 -5.796 1.00 0.00 H new ATOM 0 HG2 LYS A 10 9.470 -6.687 -7.315 1.00 0.00 H new ATOM 0 HG3 LYS A 10 8.837 -5.409 -8.334 1.00 0.00 H new ATOM 0 HD2 LYS A 10 11.719 -5.248 -8.408 1.00 0.00 H new ATOM 0 HD3 LYS A 10 11.271 -6.922 -8.669 1.00 0.00 H new ATOM 0 HE2 LYS A 10 10.112 -6.460 -10.650 1.00 0.00 H new ATOM 0 HE3 LYS A 10 9.707 -4.825 -10.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 11.381 -4.836 -11.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 12.027 -4.192 -10.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 12.419 -5.776 -10.931 1.00 0.00 H new ATOM 112 N TRP A 11 7.275 -4.754 -4.644 1.00 0.00 N ATOM 113 CA TRP A 11 6.763 -4.971 -3.301 1.00 0.00 C ATOM 114 C TRP A 11 6.888 -6.462 -2.983 1.00 0.00 C ATOM 115 O TRP A 11 6.848 -7.298 -3.885 1.00 0.00 O ATOM 116 CB TRP A 11 5.331 -4.448 -3.169 1.00 0.00 C ATOM 117 CG TRP A 11 5.234 -2.930 -3.014 1.00 0.00 C ATOM 118 CD1 TRP A 11 5.668 -1.984 -3.859 1.00 0.00 C ATOM 119 CD2 TRP A 11 4.646 -2.215 -1.907 1.00 0.00 C ATOM 120 NE1 TRP A 11 5.403 -0.718 -3.379 1.00 0.00 N ATOM 121 CE2 TRP A 11 4.762 -0.862 -2.155 1.00 0.00 C ATOM 122 CE3 TRP A 11 4.035 -2.695 -0.735 1.00 0.00 C ATOM 123 CZ2 TRP A 11 4.290 0.122 -1.278 1.00 0.00 C ATOM 124 CZ3 TRP A 11 3.570 -1.699 0.132 1.00 0.00 C ATOM 125 CH2 TRP A 11 3.679 -0.333 -0.103 1.00 0.00 C ATOM 0 H TRP A 11 6.730 -5.195 -5.385 1.00 0.00 H new ATOM 0 HA TRP A 11 7.345 -4.410 -2.570 1.00 0.00 H new ATOM 0 HB2 TRP A 11 4.763 -4.750 -4.049 1.00 0.00 H new ATOM 0 HB3 TRP A 11 4.860 -4.922 -2.307 1.00 0.00 H new ATOM 0 HD1 TRP A 11 6.163 -2.187 -4.797 1.00 0.00 H new ATOM 0 HE1 TRP A 11 5.635 0.162 -3.839 1.00 0.00 H new ATOM 0 HE3 TRP A 11 3.933 -3.749 -0.521 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 4.392 1.175 -1.496 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 3.093 -2.014 1.048 1.00 0.00 H new ATOM 0 HH2 TRP A 11 3.294 0.374 0.617 1.00 0.00 H new ATOM 135 N THR A 12 7.036 -6.750 -1.699 1.00 0.00 N ATOM 136 CA THR A 12 7.166 -8.127 -1.250 1.00 0.00 C ATOM 137 C THR A 12 6.042 -8.478 -0.275 1.00 0.00 C ATOM 138 O THR A 12 5.298 -7.602 0.163 1.00 0.00 O ATOM 139 CB THR A 12 8.565 -8.299 -0.654 1.00 0.00 C ATOM 140 OG1 THR A 12 8.457 -9.470 0.150 1.00 0.00 O ATOM 141 CG2 THR A 12 8.915 -7.193 0.345 1.00 0.00 C ATOM 0 H THR A 12 7.069 -6.054 -0.954 1.00 0.00 H new ATOM 0 HA THR A 12 7.063 -8.826 -2.080 1.00 0.00 H new ATOM 0 HB THR A 12 9.303 -8.311 -1.456 1.00 0.00 H new ATOM 0 HG1 THR A 12 9.321 -9.657 0.574 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.917 -7.362 0.738 1.00 0.00 H new ATOM 0 HG22 THR A 12 8.880 -6.226 -0.156 1.00 0.00 H new ATOM 0 HG23 THR A 12 8.197 -7.203 1.165 1.00 0.00 H new ATOM 149 N HIS A 13 5.954 -9.763 0.037 1.00 0.00 N ATOM 150 CA HIS A 13 4.931 -10.243 0.952 1.00 0.00 C ATOM 151 C HIS A 13 5.063 -9.518 2.294 1.00 0.00 C ATOM 152 O HIS A 13 4.110 -9.460 3.068 1.00 0.00 O ATOM 153 CB HIS A 13 4.998 -11.764 1.092 1.00 0.00 C ATOM 154 CG HIS A 13 3.872 -12.494 0.399 1.00 0.00 C ATOM 155 ND1 HIS A 13 3.587 -13.828 0.634 1.00 0.00 N ATOM 156 CD2 HIS A 13 2.964 -12.062 -0.523 1.00 0.00 C ATOM 157 CE1 HIS A 13 2.553 -14.174 -0.119 1.00 0.00 C ATOM 158 NE2 HIS A 13 2.169 -13.079 -0.835 1.00 0.00 N ATOM 0 H HIS A 13 6.574 -10.486 -0.327 1.00 0.00 H new ATOM 0 HA HIS A 13 3.943 -10.016 0.551 1.00 0.00 H new ATOM 0 HB2 HIS A 13 5.948 -12.114 0.688 1.00 0.00 H new ATOM 0 HB3 HIS A 13 4.987 -12.022 2.151 1.00 0.00 H new ATOM 0 HD2 HIS A 13 2.902 -11.063 -0.930 1.00 0.00 H new ATOM 0 HE1 HIS A 13 2.095 -15.151 -0.159 1.00 0.00 H new ATOM 0 HE2 HIS A 13 1.397 -13.046 -1.501 1.00 0.00 H new ATOM 165 N GLU A 14 6.252 -8.982 2.525 1.00 0.00 N ATOM 166 CA GLU A 14 6.521 -8.262 3.759 1.00 0.00 C ATOM 167 C GLU A 14 5.734 -6.951 3.791 1.00 0.00 C ATOM 168 O GLU A 14 4.815 -6.794 4.594 1.00 0.00 O ATOM 169 CB GLU A 14 8.020 -8.007 3.930 1.00 0.00 C ATOM 170 CG GLU A 14 8.673 -9.110 4.766 1.00 0.00 C ATOM 171 CD GLU A 14 8.444 -8.873 6.260 1.00 0.00 C ATOM 172 OE1 GLU A 14 7.450 -9.359 6.820 1.00 0.00 O ATOM 173 OE2 GLU A 14 9.344 -8.155 6.842 1.00 0.00 O ATOM 0 H GLU A 14 7.040 -9.031 1.879 1.00 0.00 H new ATOM 0 HA GLU A 14 6.194 -8.879 4.596 1.00 0.00 H new ATOM 0 HB2 GLU A 14 8.498 -7.957 2.952 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.176 -7.041 4.411 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.263 -10.079 4.481 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.743 -9.143 4.559 1.00 0.00 H new ATOM 179 N GLU A 15 6.124 -6.042 2.909 1.00 0.00 N ATOM 180 CA GLU A 15 5.466 -4.749 2.827 1.00 0.00 C ATOM 181 C GLU A 15 3.948 -4.928 2.785 1.00 0.00 C ATOM 182 O GLU A 15 3.241 -4.474 3.684 1.00 0.00 O ATOM 183 CB GLU A 15 5.960 -3.960 1.612 1.00 0.00 C ATOM 184 CG GLU A 15 7.252 -3.207 1.934 1.00 0.00 C ATOM 185 CD GLU A 15 8.146 -3.096 0.697 1.00 0.00 C ATOM 186 OE1 GLU A 15 7.782 -3.596 -0.377 1.00 0.00 O ATOM 187 OE2 GLU A 15 9.254 -2.463 0.881 1.00 0.00 O ATOM 0 H GLU A 15 6.887 -6.175 2.245 1.00 0.00 H new ATOM 0 HA GLU A 15 5.719 -4.176 3.719 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.130 -4.640 0.777 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.192 -3.253 1.296 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.013 -2.210 2.305 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.789 -3.723 2.730 1.00 0.00 H new ATOM 193 N ASP A 16 3.490 -5.588 1.732 1.00 0.00 N ATOM 194 CA ASP A 16 2.068 -5.832 1.562 1.00 0.00 C ATOM 195 C ASP A 16 1.455 -6.214 2.910 1.00 0.00 C ATOM 196 O ASP A 16 0.512 -5.573 3.371 1.00 0.00 O ATOM 197 CB ASP A 16 1.820 -6.985 0.587 1.00 0.00 C ATOM 198 CG ASP A 16 1.521 -6.561 -0.853 1.00 0.00 C ATOM 199 OD1 ASP A 16 1.133 -5.413 -1.113 1.00 0.00 O ATOM 200 OD2 ASP A 16 1.705 -7.479 -1.741 1.00 0.00 O ATOM 0 H ASP A 16 4.079 -5.962 0.988 1.00 0.00 H new ATOM 0 HA ASP A 16 1.615 -4.922 1.168 1.00 0.00 H new ATOM 0 HB2 ASP A 16 2.696 -7.634 0.584 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.984 -7.580 0.956 1.00 0.00 H new ATOM 205 N GLU A 17 2.016 -7.257 3.505 1.00 0.00 N ATOM 206 CA GLU A 17 1.537 -7.732 4.792 1.00 0.00 C ATOM 207 C GLU A 17 1.343 -6.556 5.753 1.00 0.00 C ATOM 208 O GLU A 17 0.267 -6.388 6.325 1.00 0.00 O ATOM 209 CB GLU A 17 2.490 -8.772 5.383 1.00 0.00 C ATOM 210 CG GLU A 17 2.078 -10.188 4.974 1.00 0.00 C ATOM 211 CD GLU A 17 1.316 -10.885 6.103 1.00 0.00 C ATOM 212 OE1 GLU A 17 1.902 -11.181 7.156 1.00 0.00 O ATOM 213 OE2 GLU A 17 0.072 -11.117 5.859 1.00 0.00 O ATOM 0 H GLU A 17 2.798 -7.786 3.119 1.00 0.00 H new ATOM 0 HA GLU A 17 0.572 -8.217 4.642 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.507 -8.573 5.044 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.495 -8.690 6.470 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.454 -10.145 4.081 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.964 -10.768 4.716 1.00 0.00 H new ATOM 219 N GLN A 18 2.402 -5.775 5.901 1.00 0.00 N ATOM 220 CA GLN A 18 2.363 -4.620 6.782 1.00 0.00 C ATOM 221 C GLN A 18 1.208 -3.695 6.395 1.00 0.00 C ATOM 222 O GLN A 18 0.207 -3.614 7.107 1.00 0.00 O ATOM 223 CB GLN A 18 3.696 -3.869 6.763 1.00 0.00 C ATOM 224 CG GLN A 18 4.370 -3.912 8.136 1.00 0.00 C ATOM 225 CD GLN A 18 3.443 -3.360 9.220 1.00 0.00 C ATOM 226 OE1 GLN A 18 3.341 -2.163 9.436 1.00 0.00 O ATOM 227 NE2 GLN A 18 2.773 -4.296 9.887 1.00 0.00 N ATOM 0 H GLN A 18 3.293 -5.919 5.426 1.00 0.00 H new ATOM 0 HA GLN A 18 2.196 -4.971 7.800 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.356 -4.311 6.016 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.529 -2.833 6.468 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.646 -4.938 8.377 1.00 0.00 H new ATOM 0 HG3 GLN A 18 5.292 -3.331 8.111 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.905 -5.281 9.655 1.00 0.00 H new ATOM 0 HE22 GLN A 18 2.127 -4.029 10.630 1.00 0.00 H new ATOM 234 N LEU A 19 1.382 -3.022 5.268 1.00 0.00 N ATOM 235 CA LEU A 19 0.367 -2.107 4.778 1.00 0.00 C ATOM 236 C LEU A 19 -1.017 -2.718 5.004 1.00 0.00 C ATOM 237 O LEU A 19 -1.919 -2.052 5.512 1.00 0.00 O ATOM 238 CB LEU A 19 0.642 -1.731 3.320 1.00 0.00 C ATOM 239 CG LEU A 19 -0.292 -0.684 2.709 1.00 0.00 C ATOM 240 CD1 LEU A 19 -0.250 0.620 3.509 1.00 0.00 C ATOM 241 CD2 LEU A 19 0.030 -0.459 1.230 1.00 0.00 C ATOM 0 H LEU A 19 2.212 -3.092 4.679 1.00 0.00 H new ATOM 0 HA LEU A 19 0.398 -1.171 5.336 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.665 -1.362 3.247 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.586 -2.636 2.715 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.313 -1.063 2.763 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.922 1.348 3.054 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.564 0.428 4.535 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.766 1.015 3.508 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.648 0.289 0.820 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.058 -0.111 1.130 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.090 -1.395 0.685 1.00 0.00 H new ATOM 252 N ARG A 20 -1.143 -3.979 4.617 1.00 0.00 N ATOM 253 CA ARG A 20 -2.401 -4.688 4.772 1.00 0.00 C ATOM 254 C ARG A 20 -2.913 -4.554 6.207 1.00 0.00 C ATOM 255 O ARG A 20 -4.074 -4.210 6.427 1.00 0.00 O ATOM 256 CB ARG A 20 -2.244 -6.171 4.430 1.00 0.00 C ATOM 257 CG ARG A 20 -2.516 -6.423 2.945 1.00 0.00 C ATOM 258 CD ARG A 20 -3.240 -7.755 2.740 1.00 0.00 C ATOM 259 NE ARG A 20 -4.528 -7.529 2.046 1.00 0.00 N ATOM 260 CZ ARG A 20 -5.230 -8.498 1.420 1.00 0.00 C ATOM 261 NH1 ARG A 20 -4.774 -9.769 1.395 1.00 0.00 N ATOM 262 NH2 ARG A 20 -6.369 -8.184 0.831 1.00 0.00 N ATOM 0 H ARG A 20 -0.393 -4.528 4.196 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.119 -4.242 4.084 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.236 -6.501 4.680 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.932 -6.762 5.035 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.119 -5.611 2.539 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.575 -6.428 2.395 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -2.616 -8.431 2.156 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.415 -8.235 3.703 1.00 0.00 H new ATOM 0 HE ARG A 20 -4.909 -6.583 2.040 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.893 -10.004 1.851 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.311 -10.494 0.920 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.706 -7.222 0.853 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.912 -8.904 0.354 1.00 0.00 H new ATOM 272 N ALA A 21 -2.023 -4.832 7.148 1.00 0.00 N ATOM 273 CA ALA A 21 -2.369 -4.747 8.557 1.00 0.00 C ATOM 274 C ALA A 21 -2.479 -3.276 8.962 1.00 0.00 C ATOM 275 O ALA A 21 -3.451 -2.875 9.598 1.00 0.00 O ATOM 276 CB ALA A 21 -1.330 -5.505 9.384 1.00 0.00 C ATOM 0 H ALA A 21 -1.061 -5.117 6.962 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.336 -5.213 8.744 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.589 -5.441 10.441 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.313 -6.551 9.077 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.346 -5.064 9.225 1.00 0.00 H new ATOM 282 N LEU A 22 -1.467 -2.512 8.576 1.00 0.00 N ATOM 283 CA LEU A 22 -1.438 -1.094 8.893 1.00 0.00 C ATOM 284 C LEU A 22 -2.784 -0.466 8.524 1.00 0.00 C ATOM 285 O LEU A 22 -3.284 0.402 9.238 1.00 0.00 O ATOM 286 CB LEU A 22 -0.240 -0.421 8.220 1.00 0.00 C ATOM 287 CG LEU A 22 1.134 -0.755 8.805 1.00 0.00 C ATOM 288 CD1 LEU A 22 2.249 -0.079 8.005 1.00 0.00 C ATOM 289 CD2 LEU A 22 1.197 -0.399 10.291 1.00 0.00 C ATOM 0 H LEU A 22 -0.662 -2.848 8.047 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.299 -0.945 9.964 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.240 -0.695 7.165 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.381 0.659 8.269 1.00 0.00 H new ATOM 0 HG LEU A 22 1.288 -1.831 8.725 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.215 -0.333 8.442 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.216 -0.424 6.972 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.112 1.002 8.031 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.184 -0.646 10.683 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.013 0.668 10.418 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.439 -0.965 10.833 1.00 0.00 H new ATOM 300 N VAL A 23 -3.331 -0.929 7.409 1.00 0.00 N ATOM 301 CA VAL A 23 -4.609 -0.423 6.939 1.00 0.00 C ATOM 302 C VAL A 23 -5.677 -0.673 8.005 1.00 0.00 C ATOM 303 O VAL A 23 -6.228 0.271 8.569 1.00 0.00 O ATOM 304 CB VAL A 23 -4.955 -1.054 5.588 1.00 0.00 C ATOM 305 CG1 VAL A 23 -6.392 -0.723 5.181 1.00 0.00 C ATOM 306 CG2 VAL A 23 -3.964 -0.614 4.507 1.00 0.00 C ATOM 0 H VAL A 23 -2.913 -1.648 6.819 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.557 0.654 6.778 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.877 -2.136 5.694 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.612 -1.183 4.218 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -7.081 -1.108 5.933 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.508 0.358 5.102 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -4.233 -1.076 3.557 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.996 0.471 4.404 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.957 -0.923 4.789 1.00 0.00 H new ATOM 316 N ARG A 24 -5.936 -1.948 8.250 1.00 0.00 N ATOM 317 CA ARG A 24 -6.928 -2.334 9.240 1.00 0.00 C ATOM 318 C ARG A 24 -6.553 -1.773 10.613 1.00 0.00 C ATOM 319 O ARG A 24 -7.428 -1.447 11.414 1.00 0.00 O ATOM 320 CB ARG A 24 -7.050 -3.856 9.334 1.00 0.00 C ATOM 321 CG ARG A 24 -7.301 -4.472 7.955 1.00 0.00 C ATOM 322 CD ARG A 24 -7.649 -5.957 8.075 1.00 0.00 C ATOM 323 NE ARG A 24 -9.000 -6.116 8.655 1.00 0.00 N ATOM 324 CZ ARG A 24 -10.141 -5.767 8.024 1.00 0.00 C ATOM 325 NH1 ARG A 24 -10.103 -5.238 6.783 1.00 0.00 N ATOM 326 NH2 ARG A 24 -11.296 -5.954 8.637 1.00 0.00 N ATOM 0 H ARG A 24 -5.476 -2.728 7.780 1.00 0.00 H new ATOM 0 HA ARG A 24 -7.888 -1.924 8.925 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.138 -4.272 9.762 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.866 -4.118 10.007 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.114 -3.943 7.459 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -6.415 -4.351 7.332 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -7.608 -6.429 7.093 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -6.914 -6.462 8.702 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.074 -6.515 9.591 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.207 -5.099 6.315 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -10.970 -4.977 6.313 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.317 -6.357 9.574 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -12.167 -5.695 8.174 1.00 0.00 H new ATOM 336 N GLN A 25 -5.252 -1.678 10.843 1.00 0.00 N ATOM 337 CA GLN A 25 -4.751 -1.163 12.106 1.00 0.00 C ATOM 338 C GLN A 25 -5.548 0.072 12.530 1.00 0.00 C ATOM 339 O GLN A 25 -6.264 0.040 13.530 1.00 0.00 O ATOM 340 CB GLN A 25 -3.257 -0.846 12.014 1.00 0.00 C ATOM 341 CG GLN A 25 -2.544 -1.177 13.327 1.00 0.00 C ATOM 342 CD GLN A 25 -1.369 -2.127 13.088 1.00 0.00 C ATOM 343 OE1 GLN A 25 -1.411 -3.010 12.248 1.00 0.00 O ATOM 344 NE2 GLN A 25 -0.319 -1.896 13.872 1.00 0.00 N ATOM 0 H GLN A 25 -4.529 -1.949 10.176 1.00 0.00 H new ATOM 0 HA GLN A 25 -4.880 -1.933 12.867 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -2.810 -1.416 11.200 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -3.119 0.209 11.777 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -2.185 -0.259 13.792 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -3.249 -1.632 14.023 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.349 -1.140 14.556 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.516 -2.475 13.789 1.00 0.00 H new ATOM 351 N PHE A 26 -5.400 1.130 11.747 1.00 0.00 N ATOM 352 CA PHE A 26 -6.098 2.373 12.028 1.00 0.00 C ATOM 353 C PHE A 26 -7.123 2.685 10.936 1.00 0.00 C ATOM 354 O PHE A 26 -8.277 2.993 11.232 1.00 0.00 O ATOM 355 CB PHE A 26 -5.044 3.482 12.054 1.00 0.00 C ATOM 356 CG PHE A 26 -3.843 3.177 12.950 1.00 0.00 C ATOM 357 CD1 PHE A 26 -2.782 2.486 12.454 1.00 0.00 C ATOM 358 CD2 PHE A 26 -3.835 3.599 14.244 1.00 0.00 C ATOM 359 CE1 PHE A 26 -1.666 2.203 13.286 1.00 0.00 C ATOM 360 CE2 PHE A 26 -2.719 3.316 15.076 1.00 0.00 C ATOM 361 CZ PHE A 26 -1.659 2.624 14.580 1.00 0.00 C ATOM 0 H PHE A 26 -4.807 1.152 10.918 1.00 0.00 H new ATOM 0 HA PHE A 26 -6.630 2.295 12.976 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -4.691 3.658 11.038 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -5.512 4.406 12.393 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.788 2.152 11.427 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.677 4.149 14.638 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.824 1.654 12.892 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.713 3.651 16.103 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.811 2.408 15.213 1.00 0.00 H new ATOM 370 N GLY A 27 -6.665 2.596 9.696 1.00 0.00 N ATOM 371 CA GLY A 27 -7.528 2.865 8.558 1.00 0.00 C ATOM 372 C GLY A 27 -6.719 3.381 7.366 1.00 0.00 C ATOM 373 O GLY A 27 -5.940 4.323 7.501 1.00 0.00 O ATOM 0 H GLY A 27 -5.707 2.341 9.454 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.058 1.955 8.276 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.283 3.601 8.835 1.00 0.00 H new ATOM 377 N GLN A 28 -6.932 2.740 6.226 1.00 0.00 N ATOM 378 CA GLN A 28 -6.233 3.122 5.011 1.00 0.00 C ATOM 379 C GLN A 28 -6.511 4.589 4.676 1.00 0.00 C ATOM 380 O GLN A 28 -5.719 5.235 3.993 1.00 0.00 O ATOM 381 CB GLN A 28 -6.620 2.210 3.845 1.00 0.00 C ATOM 382 CG GLN A 28 -8.120 1.907 3.861 1.00 0.00 C ATOM 383 CD GLN A 28 -8.716 2.014 2.456 1.00 0.00 C ATOM 384 OE1 GLN A 28 -8.386 2.895 1.679 1.00 0.00 O ATOM 385 NE2 GLN A 28 -9.611 1.072 2.175 1.00 0.00 N ATOM 0 H GLN A 28 -7.579 1.959 6.118 1.00 0.00 H new ATOM 0 HA GLN A 28 -5.163 3.005 5.180 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.351 2.686 2.902 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.056 1.279 3.904 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -8.288 0.905 4.256 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -8.628 2.602 4.529 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -9.841 0.363 2.872 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -10.067 1.058 1.263 1.00 0.00 H new ATOM 392 N GLN A 29 -7.641 5.071 5.173 1.00 0.00 N ATOM 393 CA GLN A 29 -8.035 6.450 4.935 1.00 0.00 C ATOM 394 C GLN A 29 -6.833 7.382 5.106 1.00 0.00 C ATOM 395 O GLN A 29 -6.602 8.260 4.277 1.00 0.00 O ATOM 396 CB GLN A 29 -9.183 6.859 5.860 1.00 0.00 C ATOM 397 CG GLN A 29 -10.531 6.742 5.145 1.00 0.00 C ATOM 398 CD GLN A 29 -10.879 5.279 4.868 1.00 0.00 C ATOM 399 OE1 GLN A 29 -11.264 4.528 5.748 1.00 0.00 O ATOM 400 NE2 GLN A 29 -10.722 4.917 3.597 1.00 0.00 N ATOM 0 H GLN A 29 -8.296 4.532 5.739 1.00 0.00 H new ATOM 0 HA GLN A 29 -8.392 6.534 3.909 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -9.182 6.227 6.748 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -9.035 7.884 6.198 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -11.311 7.196 5.756 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -10.498 7.296 4.207 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -10.396 5.596 2.910 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.928 3.960 3.310 1.00 0.00 H new ATOM 407 N ASP A 30 -6.100 7.158 6.186 1.00 0.00 N ATOM 408 CA ASP A 30 -4.929 7.967 6.477 1.00 0.00 C ATOM 409 C ASP A 30 -3.686 7.278 5.909 1.00 0.00 C ATOM 410 O ASP A 30 -2.990 6.558 6.624 1.00 0.00 O ATOM 411 CB ASP A 30 -4.732 8.131 7.985 1.00 0.00 C ATOM 412 CG ASP A 30 -5.710 9.092 8.664 1.00 0.00 C ATOM 413 OD1 ASP A 30 -6.815 8.700 9.067 1.00 0.00 O ATOM 414 OD2 ASP A 30 -5.290 10.307 8.777 1.00 0.00 O ATOM 0 H ASP A 30 -6.294 6.427 6.871 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.076 8.948 6.025 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.821 7.152 8.456 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.716 8.481 8.168 1.00 0.00 H new ATOM 419 N TRP A 31 -3.444 7.524 4.631 1.00 0.00 N ATOM 420 CA TRP A 31 -2.297 6.936 3.959 1.00 0.00 C ATOM 421 C TRP A 31 -1.057 7.745 4.346 1.00 0.00 C ATOM 422 O TRP A 31 -0.030 7.176 4.712 1.00 0.00 O ATOM 423 CB TRP A 31 -2.521 6.872 2.447 1.00 0.00 C ATOM 424 CG TRP A 31 -3.589 5.863 2.018 1.00 0.00 C ATOM 425 CD1 TRP A 31 -4.880 6.095 1.744 1.00 0.00 C ATOM 426 CD2 TRP A 31 -3.404 4.445 1.825 1.00 0.00 C ATOM 427 NE1 TRP A 31 -5.538 4.935 1.390 1.00 0.00 N ATOM 428 CE2 TRP A 31 -4.612 3.900 1.440 1.00 0.00 C ATOM 429 CE3 TRP A 31 -2.254 3.650 1.969 1.00 0.00 C ATOM 430 CZ2 TRP A 31 -4.786 2.538 1.168 1.00 0.00 C ATOM 431 CZ3 TRP A 31 -2.445 2.290 1.695 1.00 0.00 C ATOM 432 CH2 TRP A 31 -3.654 1.726 1.306 1.00 0.00 C ATOM 0 H TRP A 31 -4.022 8.123 4.042 1.00 0.00 H new ATOM 0 HA TRP A 31 -2.152 5.903 4.276 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -2.807 7.862 2.090 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -1.579 6.617 1.961 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -5.347 7.068 1.794 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -6.523 4.852 1.138 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -1.299 4.056 2.267 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -5.742 2.135 0.868 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -1.593 1.634 1.793 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -3.720 0.666 1.111 1.00 0.00 H new ATOM 442 N LYS A 32 -1.194 9.060 4.251 1.00 0.00 N ATOM 443 CA LYS A 32 -0.099 9.953 4.586 1.00 0.00 C ATOM 444 C LYS A 32 0.629 9.419 5.822 1.00 0.00 C ATOM 445 O LYS A 32 1.858 9.438 5.880 1.00 0.00 O ATOM 446 CB LYS A 32 -0.605 11.388 4.744 1.00 0.00 C ATOM 447 CG LYS A 32 -0.714 12.083 3.386 1.00 0.00 C ATOM 448 CD LYS A 32 -1.739 11.382 2.492 1.00 0.00 C ATOM 449 CE LYS A 32 -2.040 12.216 1.244 1.00 0.00 C ATOM 450 NZ LYS A 32 -2.693 13.491 1.617 1.00 0.00 N ATOM 0 H LYS A 32 -2.048 9.528 3.947 1.00 0.00 H new ATOM 0 HA LYS A 32 0.628 9.984 3.774 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.579 11.382 5.233 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.072 11.947 5.390 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.002 13.124 3.529 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.260 12.086 2.896 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -1.361 10.403 2.197 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.659 11.213 3.051 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -1.116 12.419 0.703 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.686 11.653 0.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -3.216 13.865 0.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -3.352 13.326 2.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.970 14.179 1.910 1.00 0.00 H new ATOM 459 N PHE A 33 -0.160 8.953 6.779 1.00 0.00 N ATOM 460 CA PHE A 33 0.393 8.415 8.010 1.00 0.00 C ATOM 461 C PHE A 33 0.964 7.012 7.787 1.00 0.00 C ATOM 462 O PHE A 33 2.098 6.732 8.171 1.00 0.00 O ATOM 463 CB PHE A 33 -0.754 8.331 9.017 1.00 0.00 C ATOM 464 CG PHE A 33 -0.439 7.482 10.251 1.00 0.00 C ATOM 465 CD1 PHE A 33 0.754 7.626 10.888 1.00 0.00 C ATOM 466 CD2 PHE A 33 -1.351 6.585 10.711 1.00 0.00 C ATOM 467 CE1 PHE A 33 1.046 6.840 12.033 1.00 0.00 C ATOM 468 CE2 PHE A 33 -1.058 5.798 11.856 1.00 0.00 C ATOM 469 CZ PHE A 33 0.134 5.942 12.493 1.00 0.00 C ATOM 0 H PHE A 33 -1.179 8.937 6.727 1.00 0.00 H new ATOM 0 HA PHE A 33 1.200 9.055 8.366 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.015 9.339 9.339 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.631 7.918 8.519 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.479 8.338 10.523 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -2.299 6.471 10.206 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.993 6.955 12.539 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.782 5.085 12.221 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.357 5.344 13.364 1.00 0.00 H new ATOM 478 N LEU A 34 0.151 6.170 7.166 1.00 0.00 N ATOM 479 CA LEU A 34 0.561 4.804 6.887 1.00 0.00 C ATOM 480 C LEU A 34 1.917 4.817 6.180 1.00 0.00 C ATOM 481 O LEU A 34 2.848 4.130 6.600 1.00 0.00 O ATOM 482 CB LEU A 34 -0.531 4.065 6.111 1.00 0.00 C ATOM 483 CG LEU A 34 -1.807 3.742 6.891 1.00 0.00 C ATOM 484 CD1 LEU A 34 -2.909 3.241 5.955 1.00 0.00 C ATOM 485 CD2 LEU A 34 -1.521 2.753 8.023 1.00 0.00 C ATOM 0 H LEU A 34 -0.789 6.407 6.848 1.00 0.00 H new ATOM 0 HA LEU A 34 0.691 4.248 7.816 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.802 4.666 5.243 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.113 3.131 5.735 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.169 4.661 7.351 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.805 3.018 6.534 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.136 4.010 5.216 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.572 2.338 5.447 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.444 2.540 8.562 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.123 1.828 7.606 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.792 3.185 8.709 1.00 0.00 H new ATOM 496 N ALA A 35 1.987 5.606 5.117 1.00 0.00 N ATOM 497 CA ALA A 35 3.214 5.718 4.347 1.00 0.00 C ATOM 498 C ALA A 35 4.392 5.927 5.300 1.00 0.00 C ATOM 499 O ALA A 35 5.476 5.390 5.081 1.00 0.00 O ATOM 500 CB ALA A 35 3.077 6.854 3.331 1.00 0.00 C ATOM 0 H ALA A 35 1.213 6.174 4.771 1.00 0.00 H new ATOM 0 HA ALA A 35 3.401 4.801 3.788 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.997 6.938 2.753 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.245 6.643 2.659 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.891 7.791 3.856 1.00 0.00 H new ATOM 506 N SER A 36 4.139 6.709 6.339 1.00 0.00 N ATOM 507 CA SER A 36 5.166 6.996 7.327 1.00 0.00 C ATOM 508 C SER A 36 5.974 5.732 7.624 1.00 0.00 C ATOM 509 O SER A 36 7.202 5.744 7.550 1.00 0.00 O ATOM 510 CB SER A 36 4.552 7.548 8.615 1.00 0.00 C ATOM 511 OG SER A 36 3.609 8.585 8.356 1.00 0.00 O ATOM 0 H SER A 36 3.238 7.153 6.518 1.00 0.00 H new ATOM 0 HA SER A 36 5.831 7.757 6.918 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.062 6.740 9.158 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.344 7.931 9.259 1.00 0.00 H new ATOM 0 HG SER A 36 2.942 8.267 7.712 1.00 0.00 H new ATOM 516 N HIS A 37 5.253 4.670 7.956 1.00 0.00 N ATOM 517 CA HIS A 37 5.888 3.401 8.264 1.00 0.00 C ATOM 518 C HIS A 37 6.976 3.106 7.229 1.00 0.00 C ATOM 519 O HIS A 37 8.064 2.654 7.581 1.00 0.00 O ATOM 520 CB HIS A 37 4.848 2.283 8.365 1.00 0.00 C ATOM 521 CG HIS A 37 4.641 1.760 9.767 1.00 0.00 C ATOM 522 ND1 HIS A 37 5.311 0.654 10.260 1.00 0.00 N ATOM 523 CD2 HIS A 37 3.836 2.204 10.775 1.00 0.00 C ATOM 524 CE1 HIS A 37 4.918 0.449 11.508 1.00 0.00 C ATOM 525 NE2 HIS A 37 4.004 1.410 11.825 1.00 0.00 N ATOM 0 H HIS A 37 4.235 4.664 8.018 1.00 0.00 H new ATOM 0 HA HIS A 37 6.370 3.460 9.240 1.00 0.00 H new ATOM 0 HB2 HIS A 37 3.896 2.651 7.981 1.00 0.00 H new ATOM 0 HB3 HIS A 37 5.153 1.458 7.722 1.00 0.00 H new ATOM 0 HD2 HIS A 37 3.175 3.056 10.727 1.00 0.00 H new ATOM 0 HE1 HIS A 37 5.261 -0.341 12.160 1.00 0.00 H new ATOM 0 HE2 HIS A 37 3.528 1.503 12.722 1.00 0.00 H new ATOM 532 N PHE A 38 6.643 3.374 5.975 1.00 0.00 N ATOM 533 CA PHE A 38 7.578 3.143 4.887 1.00 0.00 C ATOM 534 C PHE A 38 8.272 4.442 4.477 1.00 0.00 C ATOM 535 O PHE A 38 7.621 5.383 4.025 1.00 0.00 O ATOM 536 CB PHE A 38 6.766 2.616 3.704 1.00 0.00 C ATOM 537 CG PHE A 38 5.878 1.416 4.042 1.00 0.00 C ATOM 538 CD1 PHE A 38 6.433 0.185 4.202 1.00 0.00 C ATOM 539 CD2 PHE A 38 4.536 1.580 4.183 1.00 0.00 C ATOM 540 CE1 PHE A 38 5.610 -0.929 4.516 1.00 0.00 C ATOM 541 CE2 PHE A 38 3.713 0.467 4.498 1.00 0.00 C ATOM 542 CZ PHE A 38 4.268 -0.765 4.657 1.00 0.00 C ATOM 0 H PHE A 38 5.739 3.749 5.688 1.00 0.00 H new ATOM 0 HA PHE A 38 8.346 2.436 5.200 1.00 0.00 H new ATOM 0 HB2 PHE A 38 6.140 3.421 3.319 1.00 0.00 H new ATOM 0 HB3 PHE A 38 7.450 2.334 2.904 1.00 0.00 H new ATOM 0 HD1 PHE A 38 7.499 0.054 4.090 1.00 0.00 H new ATOM 0 HD2 PHE A 38 4.096 2.558 4.055 1.00 0.00 H new ATOM 0 HE1 PHE A 38 6.051 -1.907 4.643 1.00 0.00 H new ATOM 0 HE2 PHE A 38 2.647 0.598 4.611 1.00 0.00 H new ATOM 0 HZ PHE A 38 3.642 -1.613 4.895 1.00 0.00 H new ATOM 551 N PRO A 39 9.621 4.454 4.652 1.00 0.00 N ATOM 552 CA PRO A 39 10.411 5.623 4.304 1.00 0.00 C ATOM 553 C PRO A 39 10.573 5.744 2.788 1.00 0.00 C ATOM 554 O PRO A 39 10.306 6.799 2.214 1.00 0.00 O ATOM 555 CB PRO A 39 11.734 5.434 5.029 1.00 0.00 C ATOM 556 CG PRO A 39 11.811 3.956 5.376 1.00 0.00 C ATOM 557 CD PRO A 39 10.426 3.359 5.185 1.00 0.00 C ATOM 0 HA PRO A 39 9.936 6.556 4.606 1.00 0.00 H new ATOM 0 HB2 PRO A 39 12.571 5.731 4.398 1.00 0.00 H new ATOM 0 HB3 PRO A 39 11.778 6.049 5.928 1.00 0.00 H new ATOM 0 HG2 PRO A 39 12.536 3.451 4.737 1.00 0.00 H new ATOM 0 HG3 PRO A 39 12.146 3.822 6.405 1.00 0.00 H new ATOM 0 HD2 PRO A 39 10.450 2.514 4.497 1.00 0.00 H new ATOM 0 HD3 PRO A 39 10.020 2.991 6.127 1.00 0.00 H new ATOM 562 N ASN A 40 11.008 4.650 2.182 1.00 0.00 N ATOM 563 CA ASN A 40 11.208 4.621 0.743 1.00 0.00 C ATOM 564 C ASN A 40 9.874 4.884 0.041 1.00 0.00 C ATOM 565 O ASN A 40 9.772 5.788 -0.787 1.00 0.00 O ATOM 566 CB ASN A 40 11.720 3.253 0.286 1.00 0.00 C ATOM 567 CG ASN A 40 12.763 3.400 -0.824 1.00 0.00 C ATOM 568 OD1 ASN A 40 12.560 4.083 -1.815 1.00 0.00 O ATOM 569 ND2 ASN A 40 13.887 2.725 -0.605 1.00 0.00 N ATOM 0 H ASN A 40 11.228 3.777 2.661 1.00 0.00 H new ATOM 0 HA ASN A 40 11.943 5.385 0.489 1.00 0.00 H new ATOM 0 HB2 ASN A 40 12.157 2.723 1.132 1.00 0.00 H new ATOM 0 HB3 ASN A 40 10.886 2.650 -0.072 1.00 0.00 H new ATOM 0 HD21 ASN A 40 14.644 2.760 -1.288 1.00 0.00 H new ATOM 0 HD22 ASN A 40 13.992 2.172 0.246 1.00 0.00 H new ATOM 575 N ARG A 41 8.885 4.078 0.398 1.00 0.00 N ATOM 576 CA ARG A 41 7.562 4.213 -0.187 1.00 0.00 C ATOM 577 C ARG A 41 6.949 5.564 0.192 1.00 0.00 C ATOM 578 O ARG A 41 7.620 6.410 0.779 1.00 0.00 O ATOM 579 CB ARG A 41 6.634 3.092 0.284 1.00 0.00 C ATOM 580 CG ARG A 41 7.231 1.718 -0.033 1.00 0.00 C ATOM 581 CD ARG A 41 7.230 1.455 -1.540 1.00 0.00 C ATOM 582 NE ARG A 41 8.619 1.308 -2.030 1.00 0.00 N ATOM 583 CZ ARG A 41 9.436 0.288 -1.693 1.00 0.00 C ATOM 584 NH1 ARG A 41 9.010 -0.686 -0.862 1.00 0.00 N ATOM 585 NH2 ARG A 41 10.659 0.258 -2.190 1.00 0.00 N ATOM 0 H ARG A 41 8.973 3.329 1.085 1.00 0.00 H new ATOM 0 HA ARG A 41 7.671 4.149 -1.270 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.466 3.181 1.357 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.663 3.191 -0.200 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.251 1.664 0.349 1.00 0.00 H new ATOM 0 HG3 ARG A 41 6.658 0.942 0.476 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.661 0.552 -1.759 1.00 0.00 H new ATOM 0 HD3 ARG A 41 6.737 2.276 -2.060 1.00 0.00 H new ATOM 0 HE ARG A 41 8.981 2.022 -2.662 1.00 0.00 H new ATOM 0 HH11 ARG A 41 8.064 -0.655 -0.483 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.634 -1.453 -0.613 1.00 0.00 H new ATOM 0 HH21 ARG A 41 10.973 0.998 -2.818 1.00 0.00 H new ATOM 0 HH22 ARG A 41 11.290 -0.505 -1.946 1.00 0.00 H new ATOM 595 N THR A 42 5.683 5.723 -0.161 1.00 0.00 N ATOM 596 CA THR A 42 4.973 6.955 0.134 1.00 0.00 C ATOM 597 C THR A 42 3.462 6.714 0.133 1.00 0.00 C ATOM 598 O THR A 42 3.005 5.618 -0.188 1.00 0.00 O ATOM 599 CB THR A 42 5.418 8.012 -0.879 1.00 0.00 C ATOM 600 OG1 THR A 42 4.934 9.238 -0.337 1.00 0.00 O ATOM 601 CG2 THR A 42 4.691 7.884 -2.218 1.00 0.00 C ATOM 0 H THR A 42 5.130 5.019 -0.649 1.00 0.00 H new ATOM 0 HA THR A 42 5.213 7.319 1.133 1.00 0.00 H new ATOM 0 HB THR A 42 6.493 7.929 -1.041 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.180 9.978 -0.931 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.045 8.658 -2.899 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.891 6.903 -2.648 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.618 8.000 -2.062 1.00 0.00 H new ATOM 609 N ASP A 43 2.727 7.756 0.496 1.00 0.00 N ATOM 610 CA ASP A 43 1.278 7.671 0.542 1.00 0.00 C ATOM 611 C ASP A 43 0.756 7.192 -0.815 1.00 0.00 C ATOM 612 O ASP A 43 -0.012 6.235 -0.886 1.00 0.00 O ATOM 613 CB ASP A 43 0.655 9.037 0.833 1.00 0.00 C ATOM 614 CG ASP A 43 1.161 10.179 -0.051 1.00 0.00 C ATOM 615 OD1 ASP A 43 0.516 10.553 -1.043 1.00 0.00 O ATOM 616 OD2 ASP A 43 2.281 10.701 0.320 1.00 0.00 O ATOM 0 H ASP A 43 3.109 8.664 0.761 1.00 0.00 H new ATOM 0 HA ASP A 43 1.006 6.975 1.335 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.426 8.959 0.717 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.846 9.292 1.875 1.00 0.00 H new ATOM 621 N GLN A 44 1.197 7.880 -1.858 1.00 0.00 N ATOM 622 CA GLN A 44 0.784 7.538 -3.209 1.00 0.00 C ATOM 623 C GLN A 44 1.114 6.074 -3.509 1.00 0.00 C ATOM 624 O GLN A 44 0.217 5.268 -3.747 1.00 0.00 O ATOM 625 CB GLN A 44 1.435 8.469 -4.233 1.00 0.00 C ATOM 626 CG GLN A 44 0.412 8.951 -5.264 1.00 0.00 C ATOM 627 CD GLN A 44 1.081 9.236 -6.609 1.00 0.00 C ATOM 628 OE1 GLN A 44 2.132 8.707 -6.934 1.00 0.00 O ATOM 629 NE2 GLN A 44 0.417 10.100 -7.372 1.00 0.00 N ATOM 0 H GLN A 44 1.836 8.672 -1.795 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.295 7.669 -3.284 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.874 9.326 -3.723 1.00 0.00 H new ATOM 0 HB3 GLN A 44 2.248 7.948 -4.738 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.363 8.196 -5.392 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -0.079 9.853 -4.900 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -0.458 10.506 -7.040 1.00 0.00 H new ATOM 0 HE22 GLN A 44 0.782 10.356 -8.289 1.00 0.00 H new ATOM 636 N GLN A 45 2.406 5.776 -3.489 1.00 0.00 N ATOM 637 CA GLN A 45 2.866 4.424 -3.756 1.00 0.00 C ATOM 638 C GLN A 45 2.046 3.415 -2.950 1.00 0.00 C ATOM 639 O GLN A 45 1.610 2.396 -3.483 1.00 0.00 O ATOM 640 CB GLN A 45 4.359 4.284 -3.456 1.00 0.00 C ATOM 641 CG GLN A 45 5.202 4.977 -4.529 1.00 0.00 C ATOM 642 CD GLN A 45 5.075 4.260 -5.874 1.00 0.00 C ATOM 643 OE1 GLN A 45 4.093 4.391 -6.587 1.00 0.00 O ATOM 644 NE2 GLN A 45 6.121 3.498 -6.182 1.00 0.00 N ATOM 0 H GLN A 45 3.148 6.448 -3.292 1.00 0.00 H new ATOM 0 HA GLN A 45 2.722 4.214 -4.816 1.00 0.00 H new ATOM 0 HB2 GLN A 45 4.579 4.716 -2.480 1.00 0.00 H new ATOM 0 HB3 GLN A 45 4.626 3.228 -3.405 1.00 0.00 H new ATOM 0 HG2 GLN A 45 4.883 6.014 -4.634 1.00 0.00 H new ATOM 0 HG3 GLN A 45 6.247 4.995 -4.220 1.00 0.00 H new ATOM 0 HE21 GLN A 45 6.911 3.433 -5.540 1.00 0.00 H new ATOM 0 HE22 GLN A 45 6.133 2.979 -7.060 1.00 0.00 H new ATOM 651 N CYS A 46 1.862 3.734 -1.677 1.00 0.00 N ATOM 652 CA CYS A 46 1.103 2.868 -0.791 1.00 0.00 C ATOM 653 C CYS A 46 -0.312 2.724 -1.355 1.00 0.00 C ATOM 654 O CYS A 46 -0.698 1.646 -1.805 1.00 0.00 O ATOM 655 CB CYS A 46 1.092 3.396 0.645 1.00 0.00 C ATOM 656 SG CYS A 46 2.558 2.777 1.550 1.00 0.00 S ATOM 0 H CYS A 46 2.225 4.580 -1.238 1.00 0.00 H new ATOM 0 HA CYS A 46 1.577 1.888 -0.745 1.00 0.00 H new ATOM 0 HB2 CYS A 46 1.090 4.486 0.641 1.00 0.00 H new ATOM 0 HB3 CYS A 46 0.181 3.078 1.151 1.00 0.00 H new ATOM 0 HG CYS A 46 3.561 3.580 1.352 1.00 0.00 H new ATOM 661 N GLN A 47 -1.046 3.825 -1.315 1.00 0.00 N ATOM 662 CA GLN A 47 -2.409 3.836 -1.817 1.00 0.00 C ATOM 663 C GLN A 47 -2.477 3.151 -3.183 1.00 0.00 C ATOM 664 O GLN A 47 -3.381 2.358 -3.440 1.00 0.00 O ATOM 665 CB GLN A 47 -2.956 5.263 -1.891 1.00 0.00 C ATOM 666 CG GLN A 47 -4.455 5.261 -2.200 1.00 0.00 C ATOM 667 CD GLN A 47 -5.216 6.164 -1.228 1.00 0.00 C ATOM 668 OE1 GLN A 47 -4.671 7.079 -0.633 1.00 0.00 O ATOM 669 NE2 GLN A 47 -6.503 5.856 -1.098 1.00 0.00 N ATOM 0 H GLN A 47 -0.722 4.717 -0.942 1.00 0.00 H new ATOM 0 HA GLN A 47 -3.036 3.278 -1.121 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.777 5.774 -0.945 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.423 5.821 -2.661 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -4.620 5.601 -3.222 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.842 4.244 -2.136 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -6.897 5.077 -1.626 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -7.096 6.399 -0.471 1.00 0.00 H new ATOM 676 N TYR A 48 -1.508 3.483 -4.024 1.00 0.00 N ATOM 677 CA TYR A 48 -1.446 2.909 -5.357 1.00 0.00 C ATOM 678 C TYR A 48 -1.319 1.385 -5.294 1.00 0.00 C ATOM 679 O TYR A 48 -2.225 0.666 -5.713 1.00 0.00 O ATOM 680 CB TYR A 48 -0.187 3.487 -6.006 1.00 0.00 C ATOM 681 CG TYR A 48 0.092 2.949 -7.412 1.00 0.00 C ATOM 682 CD1 TYR A 48 0.723 1.731 -7.573 1.00 0.00 C ATOM 683 CD2 TYR A 48 -0.288 3.680 -8.518 1.00 0.00 C ATOM 684 CE1 TYR A 48 0.983 1.226 -8.895 1.00 0.00 C ATOM 685 CE2 TYR A 48 -0.027 3.174 -9.841 1.00 0.00 C ATOM 686 CZ TYR A 48 0.597 1.972 -9.965 1.00 0.00 C ATOM 687 OH TYR A 48 0.844 1.495 -11.213 1.00 0.00 O ATOM 0 H TYR A 48 -0.760 4.142 -3.808 1.00 0.00 H new ATOM 0 HA TYR A 48 -2.351 3.143 -5.918 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -0.281 4.572 -6.055 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.670 3.270 -5.368 1.00 0.00 H new ATOM 0 HD1 TYR A 48 1.021 1.158 -6.707 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.782 4.632 -8.392 1.00 0.00 H new ATOM 0 HE1 TYR A 48 1.474 0.274 -9.035 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -0.320 3.737 -10.715 1.00 0.00 H new ATOM 0 HH TYR A 48 0.512 2.133 -11.879 1.00 0.00 H new ATOM 696 N ARG A 49 -0.189 0.939 -4.767 1.00 0.00 N ATOM 697 CA ARG A 49 0.067 -0.487 -4.643 1.00 0.00 C ATOM 698 C ARG A 49 -1.138 -1.190 -4.017 1.00 0.00 C ATOM 699 O ARG A 49 -1.369 -2.372 -4.267 1.00 0.00 O ATOM 700 CB ARG A 49 1.306 -0.751 -3.784 1.00 0.00 C ATOM 701 CG ARG A 49 1.461 -2.244 -3.491 1.00 0.00 C ATOM 702 CD ARG A 49 1.951 -2.998 -4.729 1.00 0.00 C ATOM 703 NE ARG A 49 1.906 -4.457 -4.485 1.00 0.00 N ATOM 704 CZ ARG A 49 2.698 -5.354 -5.109 1.00 0.00 C ATOM 705 NH1 ARG A 49 3.604 -4.948 -6.022 1.00 0.00 N ATOM 706 NH2 ARG A 49 2.572 -6.634 -4.813 1.00 0.00 N ATOM 0 H ARG A 49 0.560 1.539 -4.421 1.00 0.00 H new ATOM 0 HA ARG A 49 0.242 -0.881 -5.644 1.00 0.00 H new ATOM 0 HB2 ARG A 49 2.194 -0.383 -4.298 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.228 -0.199 -2.847 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.166 -2.386 -2.672 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.506 -2.655 -3.165 1.00 0.00 H new ATOM 0 HD2 ARG A 49 1.330 -2.746 -5.588 1.00 0.00 H new ATOM 0 HD3 ARG A 49 2.969 -2.693 -4.971 1.00 0.00 H new ATOM 0 HE ARG A 49 1.234 -4.807 -3.802 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.694 -3.957 -6.245 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.199 -5.632 -6.489 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.884 -6.932 -4.122 1.00 0.00 H new ATOM 0 HH22 ARG A 49 3.163 -7.325 -5.276 1.00 0.00 H new ATOM 716 N TRP A 50 -1.874 -0.434 -3.216 1.00 0.00 N ATOM 717 CA TRP A 50 -3.050 -0.971 -2.553 1.00 0.00 C ATOM 718 C TRP A 50 -4.199 -0.981 -3.563 1.00 0.00 C ATOM 719 O TRP A 50 -4.731 -2.040 -3.894 1.00 0.00 O ATOM 720 CB TRP A 50 -3.375 -0.178 -1.285 1.00 0.00 C ATOM 721 CG TRP A 50 -4.788 -0.412 -0.749 1.00 0.00 C ATOM 722 CD1 TRP A 50 -5.942 0.081 -1.220 1.00 0.00 C ATOM 723 CD2 TRP A 50 -5.154 -1.225 0.386 1.00 0.00 C ATOM 724 NE1 TRP A 50 -7.019 -0.352 -0.475 1.00 0.00 N ATOM 725 CE2 TRP A 50 -6.525 -1.171 0.533 1.00 0.00 C ATOM 726 CE3 TRP A 50 -4.352 -1.980 1.260 1.00 0.00 C ATOM 727 CZ2 TRP A 50 -7.215 -1.851 1.545 1.00 0.00 C ATOM 728 CZ3 TRP A 50 -5.056 -2.654 2.265 1.00 0.00 C ATOM 729 CH2 TRP A 50 -6.435 -2.610 2.427 1.00 0.00 C ATOM 0 H TRP A 50 -1.679 0.546 -3.011 1.00 0.00 H new ATOM 0 HA TRP A 50 -2.871 -1.993 -2.219 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -2.655 -0.441 -0.510 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -3.247 0.885 -1.491 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -6.019 0.735 -2.076 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -7.998 -0.115 -0.635 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -3.278 -2.036 1.164 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -8.289 -1.793 1.640 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -4.487 -3.250 2.963 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -6.904 -3.159 3.230 1.00 0.00 H new ATOM 739 N LEU A 51 -4.551 0.211 -4.024 1.00 0.00 N ATOM 740 CA LEU A 51 -5.626 0.352 -4.990 1.00 0.00 C ATOM 741 C LEU A 51 -5.256 -0.392 -6.274 1.00 0.00 C ATOM 742 O LEU A 51 -6.082 -0.534 -7.174 1.00 0.00 O ATOM 743 CB LEU A 51 -5.958 1.829 -5.210 1.00 0.00 C ATOM 744 CG LEU A 51 -6.821 2.491 -4.132 1.00 0.00 C ATOM 745 CD1 LEU A 51 -6.995 3.984 -4.410 1.00 0.00 C ATOM 746 CD2 LEU A 51 -8.164 1.772 -3.987 1.00 0.00 C ATOM 0 H LEU A 51 -4.110 1.088 -3.746 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.540 -0.104 -4.610 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.023 2.383 -5.290 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.469 1.927 -6.168 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.304 2.401 -3.177 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.612 4.430 -3.630 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.018 4.468 -4.422 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.479 4.120 -5.377 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.758 2.262 -3.215 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.700 1.808 -4.935 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.992 0.733 -3.707 1.00 0.00 H new ATOM 757 N ARG A 52 -4.012 -0.848 -6.318 1.00 0.00 N ATOM 758 CA ARG A 52 -3.522 -1.574 -7.476 1.00 0.00 C ATOM 759 C ARG A 52 -3.451 -3.072 -7.174 1.00 0.00 C ATOM 760 O ARG A 52 -3.895 -3.893 -7.975 1.00 0.00 O ATOM 761 CB ARG A 52 -2.134 -1.079 -7.890 1.00 0.00 C ATOM 762 CG ARG A 52 -2.222 0.283 -8.582 1.00 0.00 C ATOM 763 CD ARG A 52 -3.284 0.271 -9.683 1.00 0.00 C ATOM 764 NE ARG A 52 -3.204 -0.993 -10.450 1.00 0.00 N ATOM 765 CZ ARG A 52 -4.200 -1.472 -11.224 1.00 0.00 C ATOM 766 NH1 ARG A 52 -5.363 -0.798 -11.340 1.00 0.00 N ATOM 767 NH2 ARG A 52 -4.020 -2.613 -11.866 1.00 0.00 N ATOM 0 H ARG A 52 -3.329 -0.728 -5.570 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.219 -1.398 -8.296 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.494 -1.004 -7.011 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.671 -1.803 -8.561 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.462 1.053 -7.849 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.253 0.541 -9.009 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.276 0.377 -9.244 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.138 1.121 -10.350 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.342 -1.535 -10.389 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -5.495 0.081 -10.840 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -6.110 -1.168 -11.927 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -3.138 -3.117 -11.772 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.763 -2.989 -12.455 1.00 0.00 H new ATOM 777 N VAL A 53 -2.890 -3.383 -6.014 1.00 0.00 N ATOM 778 CA VAL A 53 -2.756 -4.768 -5.596 1.00 0.00 C ATOM 779 C VAL A 53 -3.722 -5.044 -4.442 1.00 0.00 C ATOM 780 O VAL A 53 -4.618 -5.877 -4.564 1.00 0.00 O ATOM 781 CB VAL A 53 -1.299 -5.068 -5.240 1.00 0.00 C ATOM 782 CG1 VAL A 53 -1.128 -6.530 -4.819 1.00 0.00 C ATOM 783 CG2 VAL A 53 -0.367 -4.720 -6.402 1.00 0.00 C ATOM 0 H VAL A 53 -2.523 -2.700 -5.351 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.023 -5.440 -6.411 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.025 -4.440 -4.392 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -0.083 -6.717 -4.571 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -1.750 -6.733 -3.947 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.429 -7.182 -5.639 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.663 -4.943 -6.122 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.641 -5.309 -7.277 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.458 -3.659 -6.636 1.00 0.00 H new ATOM 793 N LEU A 54 -3.508 -4.327 -3.349 1.00 0.00 N ATOM 794 CA LEU A 54 -4.349 -4.484 -2.174 1.00 0.00 C ATOM 795 C LEU A 54 -5.700 -3.811 -2.427 1.00 0.00 C ATOM 796 O LEU A 54 -6.023 -2.803 -1.801 1.00 0.00 O ATOM 797 CB LEU A 54 -3.629 -3.967 -0.927 1.00 0.00 C ATOM 798 CG LEU A 54 -2.117 -4.198 -0.881 1.00 0.00 C ATOM 799 CD1 LEU A 54 -1.520 -3.663 0.421 1.00 0.00 C ATOM 800 CD2 LEU A 54 -1.781 -5.674 -1.102 1.00 0.00 C ATOM 0 H LEU A 54 -2.764 -3.636 -3.252 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.547 -5.539 -1.985 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.816 -2.897 -0.842 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.075 -4.439 -0.052 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.661 -3.638 -1.698 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.444 -3.840 0.428 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.712 -2.593 0.497 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.977 -4.174 1.268 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.700 -5.811 -1.065 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.250 -6.275 -0.323 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.153 -5.990 -2.077 1.00 0.00 H new ATOM 811 N SER A 55 -6.454 -4.398 -3.345 1.00 0.00 N ATOM 812 CA SER A 55 -7.762 -3.869 -3.688 1.00 0.00 C ATOM 813 C SER A 55 -8.704 -5.010 -4.077 1.00 0.00 C ATOM 814 O SER A 55 -8.675 -5.484 -5.212 1.00 0.00 O ATOM 815 CB SER A 55 -7.665 -2.851 -4.826 1.00 0.00 C ATOM 816 OG SER A 55 -7.236 -3.452 -6.044 1.00 0.00 O ATOM 0 H SER A 55 -6.183 -5.235 -3.862 1.00 0.00 H new ATOM 0 HA SER A 55 -8.162 -3.358 -2.812 1.00 0.00 H new ATOM 0 HB2 SER A 55 -8.637 -2.381 -4.976 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.969 -2.060 -4.547 1.00 0.00 H new ATOM 0 HG SER A 55 -7.641 -4.340 -6.131 1.00 0.00 H new ATOM 821 N GLY A 56 -9.516 -5.419 -3.113 1.00 0.00 N ATOM 822 CA GLY A 56 -10.464 -6.497 -3.341 1.00 0.00 C ATOM 823 C GLY A 56 -10.989 -7.055 -2.016 1.00 0.00 C ATOM 824 O GLY A 56 -10.535 -6.653 -0.946 1.00 0.00 O ATOM 0 H GLY A 56 -9.537 -5.024 -2.173 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.297 -6.132 -3.942 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.985 -7.293 -3.911 1.00 0.00 H new ATOM 828 N PRO A 57 -11.964 -7.994 -2.135 1.00 0.00 N ATOM 829 CA PRO A 57 -12.557 -8.611 -0.960 1.00 0.00 C ATOM 830 C PRO A 57 -11.603 -9.630 -0.335 1.00 0.00 C ATOM 831 O PRO A 57 -10.530 -9.895 -0.877 1.00 0.00 O ATOM 832 CB PRO A 57 -13.852 -9.234 -1.454 1.00 0.00 C ATOM 833 CG PRO A 57 -13.711 -9.348 -2.962 1.00 0.00 C ATOM 834 CD PRO A 57 -12.527 -8.494 -3.386 1.00 0.00 C ATOM 0 HA PRO A 57 -12.754 -7.894 -0.163 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -14.012 -10.213 -1.002 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -14.709 -8.616 -1.188 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -13.556 -10.387 -3.253 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -14.622 -9.011 -3.457 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -11.796 -9.080 -3.943 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -12.841 -7.676 -4.034 1.00 0.00 H new ATOM 839 N SER A 58 -12.026 -10.175 0.796 1.00 0.00 N ATOM 840 CA SER A 58 -11.222 -11.159 1.500 1.00 0.00 C ATOM 841 C SER A 58 -12.127 -12.104 2.292 1.00 0.00 C ATOM 842 O SER A 58 -12.084 -13.318 2.100 1.00 0.00 O ATOM 843 CB SER A 58 -10.215 -10.483 2.433 1.00 0.00 C ATOM 844 OG SER A 58 -9.228 -9.750 1.712 1.00 0.00 O ATOM 0 H SER A 58 -12.916 -9.953 1.243 1.00 0.00 H new ATOM 0 HA SER A 58 -10.663 -11.734 0.762 1.00 0.00 H new ATOM 0 HB2 SER A 58 -10.742 -9.811 3.110 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.727 -11.239 3.049 1.00 0.00 H new ATOM 0 HG SER A 58 -9.415 -9.806 0.752 1.00 0.00 H new ATOM 849 N SER A 59 -12.928 -11.511 3.167 1.00 0.00 N ATOM 850 CA SER A 59 -13.842 -12.285 3.989 1.00 0.00 C ATOM 851 C SER A 59 -14.922 -11.371 4.573 1.00 0.00 C ATOM 852 O SER A 59 -14.793 -10.894 5.699 1.00 0.00 O ATOM 853 CB SER A 59 -13.095 -13.009 5.112 1.00 0.00 C ATOM 854 OG SER A 59 -13.705 -14.254 5.442 1.00 0.00 O ATOM 0 H SER A 59 -12.962 -10.504 3.324 1.00 0.00 H new ATOM 0 HA SER A 59 -14.314 -13.039 3.359 1.00 0.00 H new ATOM 0 HB2 SER A 59 -12.062 -13.180 4.809 1.00 0.00 H new ATOM 0 HB3 SER A 59 -13.066 -12.373 5.997 1.00 0.00 H new ATOM 0 HG SER A 59 -13.198 -14.686 6.161 1.00 0.00 H new ATOM 859 N GLY A 60 -15.961 -11.156 3.781 1.00 0.00 N ATOM 860 CA GLY A 60 -17.062 -10.309 4.205 1.00 0.00 C ATOM 861 C GLY A 60 -18.365 -10.712 3.510 1.00 0.00 C ATOM 862 O GLY A 60 -18.479 -11.823 2.995 1.00 0.00 O ATOM 0 H GLY A 60 -16.064 -11.554 2.847 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -17.185 -10.381 5.286 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -16.832 -9.268 3.979 1.00 0.00 H new TER 866 GLY A 60