USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 468 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 THR OG1 : rot 180:sc= -0.792 USER MOD Set 1.2: A 58 THR OG1 : rot -90:sc= -1.09 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 34:sc= 0.42 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= -0.205 X(o=-0.21,f=-0.02) USER MOD Single : A 10 CYS SG : rot 180:sc= -0.0336 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -0.211 X(o=-0.21,f=-0.0078) USER MOD Single : A 19 SER OG : rot -55:sc= 0.0861 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 160:sc= 0.047 USER MOD Single : A 25 SER OG : rot -129:sc= 0.873 USER MOD Single : A 26 MET CE :methyl 148:sc= -0.183 (180deg=-1.63) USER MOD Single : A 33 SER OG : rot 140:sc= 0 USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 34:sc= -0.0308 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -27.657 -3.299 -6.735 1.00 0.00 N ATOM 2 CA GLY A 1 -26.512 -3.312 -5.843 1.00 0.00 C ATOM 3 C GLY A 1 -25.341 -2.521 -6.392 1.00 0.00 C ATOM 4 O GLY A 1 -24.909 -2.743 -7.523 1.00 0.00 O ATOM 0 H1 GLY A 1 -28.431 -3.853 -6.315 1.00 0.00 H new ATOM 0 H2 GLY A 1 -27.973 -2.319 -6.881 1.00 0.00 H new ATOM 0 H3 GLY A 1 -27.389 -3.716 -7.649 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.803 -2.901 -4.877 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -26.201 -4.342 -5.670 1.00 0.00 H new ATOM 8 N SER A 2 -24.827 -1.594 -5.590 1.00 0.00 N ATOM 9 CA SER A 2 -23.702 -0.763 -6.003 1.00 0.00 C ATOM 10 C SER A 2 -22.671 -1.587 -6.769 1.00 0.00 C ATOM 11 O SER A 2 -22.546 -2.793 -6.562 1.00 0.00 O ATOM 12 CB SER A 2 -23.047 -0.111 -4.785 1.00 0.00 C ATOM 13 OG SER A 2 -23.758 1.047 -4.382 1.00 0.00 O ATOM 0 H SER A 2 -25.172 -1.399 -4.650 1.00 0.00 H new ATOM 0 HA SER A 2 -24.082 0.017 -6.663 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.011 -0.825 -3.962 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.017 0.155 -5.021 1.00 0.00 H new ATOM 0 HG SER A 2 -23.320 1.444 -3.600 1.00 0.00 H new ATOM 19 N SER A 3 -21.935 -0.925 -7.656 1.00 0.00 N ATOM 20 CA SER A 3 -20.917 -1.595 -8.457 1.00 0.00 C ATOM 21 C SER A 3 -19.574 -0.881 -8.336 1.00 0.00 C ATOM 22 O SER A 3 -19.439 0.280 -8.719 1.00 0.00 O ATOM 23 CB SER A 3 -21.347 -1.651 -9.924 1.00 0.00 C ATOM 24 OG SER A 3 -21.586 -0.351 -10.436 1.00 0.00 O ATOM 0 H SER A 3 -22.025 0.075 -7.838 1.00 0.00 H new ATOM 0 HA SER A 3 -20.804 -2.611 -8.080 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.573 -2.141 -10.515 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.250 -2.254 -10.019 1.00 0.00 H new ATOM 0 HG SER A 3 -20.965 0.283 -10.021 1.00 0.00 H new ATOM 30 N GLY A 4 -18.582 -1.586 -7.800 1.00 0.00 N ATOM 31 CA GLY A 4 -17.263 -1.005 -7.638 1.00 0.00 C ATOM 32 C GLY A 4 -16.981 -0.598 -6.205 1.00 0.00 C ATOM 33 O GLY A 4 -17.719 0.195 -5.621 1.00 0.00 O ATOM 0 H GLY A 4 -18.669 -2.549 -7.475 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.510 -1.723 -7.963 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.172 -0.133 -8.285 1.00 0.00 H new ATOM 37 N SER A 5 -15.910 -1.143 -5.637 1.00 0.00 N ATOM 38 CA SER A 5 -15.536 -0.836 -4.261 1.00 0.00 C ATOM 39 C SER A 5 -15.472 0.672 -4.039 1.00 0.00 C ATOM 40 O SER A 5 -14.899 1.406 -4.845 1.00 0.00 O ATOM 41 CB SER A 5 -14.185 -1.470 -3.924 1.00 0.00 C ATOM 42 OG SER A 5 -14.309 -2.871 -3.746 1.00 0.00 O ATOM 0 H SER A 5 -15.286 -1.799 -6.108 1.00 0.00 H new ATOM 0 HA SER A 5 -16.299 -1.251 -3.602 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.473 -1.263 -4.723 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.784 -1.019 -3.016 1.00 0.00 H new ATOM 0 HG SER A 5 -13.432 -3.253 -3.533 1.00 0.00 H new ATOM 48 N SER A 6 -16.063 1.128 -2.940 1.00 0.00 N ATOM 49 CA SER A 6 -16.078 2.549 -2.612 1.00 0.00 C ATOM 50 C SER A 6 -14.736 2.986 -2.032 1.00 0.00 C ATOM 51 O SER A 6 -14.487 2.840 -0.836 1.00 0.00 O ATOM 52 CB SER A 6 -17.200 2.853 -1.618 1.00 0.00 C ATOM 53 OG SER A 6 -18.450 2.961 -2.277 1.00 0.00 O ATOM 0 H SER A 6 -16.538 0.534 -2.261 1.00 0.00 H new ATOM 0 HA SER A 6 -16.256 3.107 -3.531 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.248 2.064 -0.867 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.982 3.782 -1.091 1.00 0.00 H new ATOM 0 HG SER A 6 -19.151 3.154 -1.620 1.00 0.00 H new ATOM 59 N GLY A 7 -13.874 3.523 -2.890 1.00 0.00 N ATOM 60 CA GLY A 7 -12.568 3.974 -2.445 1.00 0.00 C ATOM 61 C GLY A 7 -11.466 2.996 -2.800 1.00 0.00 C ATOM 62 O GLY A 7 -11.186 2.765 -3.976 1.00 0.00 O ATOM 0 H GLY A 7 -14.057 3.654 -3.885 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.349 4.943 -2.894 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.586 4.120 -1.365 1.00 0.00 H new ATOM 66 N GLY A 8 -10.836 2.420 -1.780 1.00 0.00 N ATOM 67 CA GLY A 8 -9.764 1.469 -2.011 1.00 0.00 C ATOM 68 C GLY A 8 -9.176 0.934 -0.721 1.00 0.00 C ATOM 69 O GLY A 8 -9.056 1.662 0.265 1.00 0.00 O ATOM 0 H GLY A 8 -11.049 2.595 -0.798 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.142 0.638 -2.607 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -8.977 1.948 -2.594 1.00 0.00 H new ATOM 73 N HIS A 9 -8.810 -0.344 -0.725 1.00 0.00 N ATOM 74 CA HIS A 9 -8.233 -0.978 0.455 1.00 0.00 C ATOM 75 C HIS A 9 -6.998 -1.793 0.084 1.00 0.00 C ATOM 76 O HIS A 9 -7.048 -2.646 -0.803 1.00 0.00 O ATOM 77 CB HIS A 9 -9.266 -1.876 1.135 1.00 0.00 C ATOM 78 CG HIS A 9 -10.229 -1.130 2.006 1.00 0.00 C ATOM 79 ND1 HIS A 9 -11.475 -1.616 2.339 1.00 0.00 N ATOM 80 CD2 HIS A 9 -10.121 0.074 2.615 1.00 0.00 C ATOM 81 CE1 HIS A 9 -12.094 -0.742 3.114 1.00 0.00 C ATOM 82 NE2 HIS A 9 -11.293 0.292 3.297 1.00 0.00 N ATOM 0 H HIS A 9 -8.903 -0.961 -1.532 1.00 0.00 H new ATOM 0 HA HIS A 9 -7.934 -0.193 1.149 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -9.824 -2.417 0.371 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -8.747 -2.621 1.737 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -9.271 0.739 2.573 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -13.086 -0.854 3.527 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -11.510 1.118 3.854 1.00 0.00 H new ATOM 91 N CYS A 10 -5.891 -1.524 0.768 1.00 0.00 N ATOM 92 CA CYS A 10 -4.642 -2.232 0.509 1.00 0.00 C ATOM 93 C CYS A 10 -3.830 -2.389 1.791 1.00 0.00 C ATOM 94 O CYS A 10 -3.904 -1.553 2.691 1.00 0.00 O ATOM 95 CB CYS A 10 -3.818 -1.488 -0.543 1.00 0.00 C ATOM 96 SG CYS A 10 -3.156 0.097 0.024 1.00 0.00 S ATOM 0 H CYS A 10 -5.833 -0.822 1.505 1.00 0.00 H new ATOM 0 HA CYS A 10 -4.888 -3.225 0.132 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -2.990 -2.124 -0.857 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -4.440 -1.317 -1.422 1.00 0.00 H new ATOM 0 HG CYS A 10 -2.473 0.649 -0.934 1.00 0.00 H new ATOM 102 N VAL A 11 -3.057 -3.468 1.867 1.00 0.00 N ATOM 103 CA VAL A 11 -2.232 -3.736 3.039 1.00 0.00 C ATOM 104 C VAL A 11 -0.776 -3.960 2.646 1.00 0.00 C ATOM 105 O VAL A 11 -0.487 -4.535 1.597 1.00 0.00 O ATOM 106 CB VAL A 11 -2.739 -4.968 3.812 1.00 0.00 C ATOM 107 CG1 VAL A 11 -4.156 -4.737 4.314 1.00 0.00 C ATOM 108 CG2 VAL A 11 -2.669 -6.211 2.939 1.00 0.00 C ATOM 0 H VAL A 11 -2.985 -4.170 1.131 1.00 0.00 H new ATOM 0 HA VAL A 11 -2.301 -2.859 3.682 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.094 -5.124 4.677 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.498 -5.618 4.858 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -4.170 -3.873 4.978 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.817 -4.555 3.467 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.031 -7.072 3.502 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.289 -6.069 2.054 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.637 -6.384 2.635 1.00 0.00 H new ATOM 118 N ALA A 12 0.137 -3.502 3.496 1.00 0.00 N ATOM 119 CA ALA A 12 1.564 -3.655 3.239 1.00 0.00 C ATOM 120 C ALA A 12 1.956 -5.127 3.173 1.00 0.00 C ATOM 121 O ALA A 12 1.625 -5.908 4.067 1.00 0.00 O ATOM 122 CB ALA A 12 2.373 -2.939 4.311 1.00 0.00 C ATOM 0 H ALA A 12 -0.086 -3.022 4.368 1.00 0.00 H new ATOM 0 HA ALA A 12 1.784 -3.204 2.271 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.437 -3.061 4.107 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.123 -1.878 4.308 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.140 -3.364 5.287 1.00 0.00 H new ATOM 128 N ILE A 13 2.661 -5.500 2.110 1.00 0.00 N ATOM 129 CA ILE A 13 3.097 -6.879 1.929 1.00 0.00 C ATOM 130 C ILE A 13 4.427 -7.131 2.631 1.00 0.00 C ATOM 131 O ILE A 13 4.605 -8.150 3.298 1.00 0.00 O ATOM 132 CB ILE A 13 3.241 -7.232 0.437 1.00 0.00 C ATOM 133 CG1 ILE A 13 2.029 -6.727 -0.349 1.00 0.00 C ATOM 134 CG2 ILE A 13 3.404 -8.735 0.262 1.00 0.00 C ATOM 135 CD1 ILE A 13 2.164 -6.901 -1.845 1.00 0.00 C ATOM 0 H ILE A 13 2.942 -4.867 1.361 1.00 0.00 H new ATOM 0 HA ILE A 13 2.330 -7.514 2.371 1.00 0.00 H new ATOM 0 HB ILE A 13 4.133 -6.741 0.047 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.139 -7.256 -0.009 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.876 -5.671 -0.127 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.505 -8.969 -0.798 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.295 -9.069 0.794 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.529 -9.245 0.665 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.269 -6.522 -2.338 1.00 0.00 H new ATOM 0 HD12 ILE A 13 3.035 -6.349 -2.198 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.286 -7.959 -2.079 1.00 0.00 H new ATOM 147 N TYR A 14 5.358 -6.196 2.476 1.00 0.00 N ATOM 148 CA TYR A 14 6.673 -6.317 3.094 1.00 0.00 C ATOM 149 C TYR A 14 7.091 -5.003 3.747 1.00 0.00 C ATOM 150 O TYR A 14 6.676 -3.925 3.320 1.00 0.00 O ATOM 151 CB TYR A 14 7.712 -6.735 2.053 1.00 0.00 C ATOM 152 CG TYR A 14 7.198 -7.750 1.058 1.00 0.00 C ATOM 153 CD1 TYR A 14 7.024 -9.081 1.418 1.00 0.00 C ATOM 154 CD2 TYR A 14 6.884 -7.378 -0.244 1.00 0.00 C ATOM 155 CE1 TYR A 14 6.555 -10.011 0.512 1.00 0.00 C ATOM 156 CE2 TYR A 14 6.412 -8.302 -1.157 1.00 0.00 C ATOM 157 CZ TYR A 14 6.250 -9.617 -0.775 1.00 0.00 C ATOM 158 OH TYR A 14 5.781 -10.541 -1.680 1.00 0.00 O ATOM 0 H TYR A 14 5.226 -5.346 1.928 1.00 0.00 H new ATOM 0 HA TYR A 14 6.614 -7.083 3.867 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.051 -5.850 1.514 1.00 0.00 H new ATOM 0 HB3 TYR A 14 8.581 -7.148 2.565 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.260 -9.393 2.425 1.00 0.00 H new ATOM 0 HD2 TYR A 14 7.011 -6.349 -0.547 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.427 -11.042 0.809 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.171 -7.996 -2.164 1.00 0.00 H new ATOM 0 HH TYR A 14 5.613 -10.101 -2.540 1.00 0.00 H new ATOM 168 N HIS A 15 7.915 -5.101 4.785 1.00 0.00 N ATOM 169 CA HIS A 15 8.392 -3.921 5.497 1.00 0.00 C ATOM 170 C HIS A 15 9.061 -2.941 4.538 1.00 0.00 C ATOM 171 O HIS A 15 10.128 -3.221 3.993 1.00 0.00 O ATOM 172 CB HIS A 15 9.373 -4.325 6.598 1.00 0.00 C ATOM 173 CG HIS A 15 9.547 -3.282 7.659 1.00 0.00 C ATOM 174 ND1 HIS A 15 10.778 -2.914 8.158 1.00 0.00 N ATOM 175 CD2 HIS A 15 8.635 -2.526 8.314 1.00 0.00 C ATOM 176 CE1 HIS A 15 10.616 -1.978 9.076 1.00 0.00 C ATOM 177 NE2 HIS A 15 9.325 -1.724 9.189 1.00 0.00 N ATOM 0 H HIS A 15 8.266 -5.985 5.152 1.00 0.00 H new ATOM 0 HA HIS A 15 7.532 -3.429 5.950 1.00 0.00 H new ATOM 0 HB2 HIS A 15 9.026 -5.248 7.062 1.00 0.00 H new ATOM 0 HB3 HIS A 15 10.343 -4.539 6.148 1.00 0.00 H new ATOM 0 HD2 HIS A 15 7.564 -2.549 8.174 1.00 0.00 H new ATOM 0 HE1 HIS A 15 11.405 -1.501 9.639 1.00 0.00 H new ATOM 0 HE2 HIS A 15 8.908 -1.043 9.823 1.00 0.00 H new ATOM 186 N PHE A 16 8.425 -1.791 4.337 1.00 0.00 N ATOM 187 CA PHE A 16 8.958 -0.770 3.442 1.00 0.00 C ATOM 188 C PHE A 16 9.351 0.483 4.219 1.00 0.00 C ATOM 189 O PHE A 16 8.536 1.060 4.938 1.00 0.00 O ATOM 190 CB PHE A 16 7.927 -0.415 2.368 1.00 0.00 C ATOM 191 CG PHE A 16 8.361 0.707 1.468 1.00 0.00 C ATOM 192 CD1 PHE A 16 9.110 0.450 0.331 1.00 0.00 C ATOM 193 CD2 PHE A 16 8.020 2.018 1.760 1.00 0.00 C ATOM 194 CE1 PHE A 16 9.511 1.480 -0.499 1.00 0.00 C ATOM 195 CE2 PHE A 16 8.418 3.051 0.933 1.00 0.00 C ATOM 196 CZ PHE A 16 9.165 2.782 -0.197 1.00 0.00 C ATOM 0 H PHE A 16 7.541 -1.543 4.781 1.00 0.00 H new ATOM 0 HA PHE A 16 9.850 -1.173 2.962 1.00 0.00 H new ATOM 0 HB2 PHE A 16 7.726 -1.299 1.763 1.00 0.00 H new ATOM 0 HB3 PHE A 16 6.990 -0.140 2.852 1.00 0.00 H new ATOM 0 HD1 PHE A 16 9.384 -0.567 0.091 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.437 2.235 2.643 1.00 0.00 H new ATOM 0 HE1 PHE A 16 10.094 1.267 -1.383 1.00 0.00 H new ATOM 0 HE2 PHE A 16 8.145 4.069 1.170 1.00 0.00 H new ATOM 0 HZ PHE A 16 9.478 3.589 -0.843 1.00 0.00 H new ATOM 206 N GLU A 17 10.606 0.896 4.069 1.00 0.00 N ATOM 207 CA GLU A 17 11.107 2.079 4.758 1.00 0.00 C ATOM 208 C GLU A 17 10.977 3.318 3.877 1.00 0.00 C ATOM 209 O GLU A 17 11.626 3.425 2.838 1.00 0.00 O ATOM 210 CB GLU A 17 12.569 1.879 5.163 1.00 0.00 C ATOM 211 CG GLU A 17 13.506 1.680 3.983 1.00 0.00 C ATOM 212 CD GLU A 17 14.747 0.891 4.350 1.00 0.00 C ATOM 213 OE1 GLU A 17 15.743 1.515 4.772 1.00 0.00 O ATOM 214 OE2 GLU A 17 14.724 -0.351 4.216 1.00 0.00 O ATOM 0 H GLU A 17 11.293 0.429 3.477 1.00 0.00 H new ATOM 0 HA GLU A 17 10.506 2.228 5.655 1.00 0.00 H new ATOM 0 HB2 GLU A 17 12.900 2.745 5.737 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.640 1.014 5.822 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.974 1.162 3.185 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.802 2.653 3.591 1.00 0.00 H new ATOM 221 N GLY A 18 10.131 4.252 4.301 1.00 0.00 N ATOM 222 CA GLY A 18 9.929 5.471 3.540 1.00 0.00 C ATOM 223 C GLY A 18 10.791 6.614 4.037 1.00 0.00 C ATOM 224 O GLY A 18 10.285 7.573 4.621 1.00 0.00 O ATOM 0 H GLY A 18 9.582 4.186 5.158 1.00 0.00 H new ATOM 0 HA2 GLY A 18 10.152 5.281 2.490 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.880 5.761 3.595 1.00 0.00 H new ATOM 228 N SER A 19 12.096 6.513 3.808 1.00 0.00 N ATOM 229 CA SER A 19 13.031 7.545 4.242 1.00 0.00 C ATOM 230 C SER A 19 13.759 8.155 3.048 1.00 0.00 C ATOM 231 O SER A 19 14.953 8.447 3.118 1.00 0.00 O ATOM 232 CB SER A 19 14.044 6.962 5.228 1.00 0.00 C ATOM 233 OG SER A 19 14.686 7.988 5.965 1.00 0.00 O ATOM 0 H SER A 19 12.530 5.727 3.324 1.00 0.00 H new ATOM 0 HA SER A 19 12.462 8.331 4.739 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.539 6.280 5.912 1.00 0.00 H new ATOM 0 HB3 SER A 19 14.789 6.378 4.687 1.00 0.00 H new ATOM 0 HG SER A 19 15.085 8.634 5.346 1.00 0.00 H new ATOM 239 N SER A 20 13.030 8.345 1.952 1.00 0.00 N ATOM 240 CA SER A 20 13.607 8.917 0.741 1.00 0.00 C ATOM 241 C SER A 20 13.187 10.375 0.576 1.00 0.00 C ATOM 242 O SER A 20 13.067 10.873 -0.543 1.00 0.00 O ATOM 243 CB SER A 20 13.176 8.108 -0.484 1.00 0.00 C ATOM 244 OG SER A 20 14.094 7.062 -0.753 1.00 0.00 O ATOM 0 H SER A 20 12.040 8.111 1.878 1.00 0.00 H new ATOM 0 HA SER A 20 14.693 8.878 0.830 1.00 0.00 H new ATOM 0 HB2 SER A 20 12.183 7.691 -0.317 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.104 8.765 -1.351 1.00 0.00 H new ATOM 0 HG SER A 20 13.795 6.559 -1.539 1.00 0.00 H new ATOM 250 N GLU A 21 12.966 11.051 1.698 1.00 0.00 N ATOM 251 CA GLU A 21 12.560 12.451 1.678 1.00 0.00 C ATOM 252 C GLU A 21 11.342 12.651 0.781 1.00 0.00 C ATOM 253 O GLU A 21 11.289 13.589 -0.013 1.00 0.00 O ATOM 254 CB GLU A 21 13.713 13.334 1.195 1.00 0.00 C ATOM 255 CG GLU A 21 13.500 14.814 1.463 1.00 0.00 C ATOM 256 CD GLU A 21 13.601 15.161 2.936 1.00 0.00 C ATOM 257 OE1 GLU A 21 12.619 14.920 3.670 1.00 0.00 O ATOM 258 OE2 GLU A 21 14.660 15.673 3.354 1.00 0.00 O ATOM 0 H GLU A 21 13.061 10.652 2.632 1.00 0.00 H new ATOM 0 HA GLU A 21 12.293 12.739 2.695 1.00 0.00 H new ATOM 0 HB2 GLU A 21 14.634 13.014 1.683 1.00 0.00 H new ATOM 0 HB3 GLU A 21 13.851 13.183 0.124 1.00 0.00 H new ATOM 0 HG2 GLU A 21 14.239 15.390 0.906 1.00 0.00 H new ATOM 0 HG3 GLU A 21 12.519 15.109 1.090 1.00 0.00 H new ATOM 265 N GLY A 22 10.363 11.760 0.914 1.00 0.00 N ATOM 266 CA GLY A 22 9.159 11.855 0.109 1.00 0.00 C ATOM 267 C GLY A 22 8.426 10.532 0.005 1.00 0.00 C ATOM 268 O GLY A 22 7.882 10.196 -1.047 1.00 0.00 O ATOM 0 H GLY A 22 10.383 10.975 1.565 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.494 12.602 0.542 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.420 12.202 -0.891 1.00 0.00 H new ATOM 272 N THR A 23 8.413 9.777 1.099 1.00 0.00 N ATOM 273 CA THR A 23 7.744 8.482 1.125 1.00 0.00 C ATOM 274 C THR A 23 7.239 8.153 2.525 1.00 0.00 C ATOM 275 O THR A 23 7.487 8.896 3.475 1.00 0.00 O ATOM 276 CB THR A 23 8.681 7.356 0.651 1.00 0.00 C ATOM 277 OG1 THR A 23 10.038 7.678 0.976 1.00 0.00 O ATOM 278 CG2 THR A 23 8.552 7.139 -0.849 1.00 0.00 C ATOM 0 H THR A 23 8.858 10.040 1.978 1.00 0.00 H new ATOM 0 HA THR A 23 6.897 8.550 0.443 1.00 0.00 H new ATOM 0 HB THR A 23 8.394 6.437 1.161 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.578 6.860 0.975 1.00 0.00 H new ATOM 0 HG21 THR A 23 9.224 6.339 -1.160 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.525 6.865 -1.090 1.00 0.00 H new ATOM 0 HG23 THR A 23 8.815 8.058 -1.373 1.00 0.00 H new ATOM 286 N ILE A 24 6.532 7.034 2.646 1.00 0.00 N ATOM 287 CA ILE A 24 5.995 6.606 3.932 1.00 0.00 C ATOM 288 C ILE A 24 6.394 5.167 4.243 1.00 0.00 C ATOM 289 O ILE A 24 6.684 4.384 3.339 1.00 0.00 O ATOM 290 CB ILE A 24 4.459 6.720 3.966 1.00 0.00 C ATOM 291 CG1 ILE A 24 3.915 6.166 5.284 1.00 0.00 C ATOM 292 CG2 ILE A 24 3.847 5.986 2.783 1.00 0.00 C ATOM 293 CD1 ILE A 24 2.485 6.573 5.566 1.00 0.00 C ATOM 0 H ILE A 24 6.318 6.408 1.870 1.00 0.00 H new ATOM 0 HA ILE A 24 6.418 7.269 4.687 1.00 0.00 H new ATOM 0 HB ILE A 24 4.185 7.773 3.895 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.978 5.078 5.265 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.550 6.507 6.102 1.00 0.00 H new ATOM 0 HG21 ILE A 24 2.761 6.076 2.821 1.00 0.00 H new ATOM 0 HG22 ILE A 24 4.215 6.422 1.854 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.126 4.933 2.824 1.00 0.00 H new ATOM 0 HD11 ILE A 24 2.165 6.145 6.516 1.00 0.00 H new ATOM 0 HD12 ILE A 24 2.419 7.660 5.618 1.00 0.00 H new ATOM 0 HD13 ILE A 24 1.839 6.208 4.768 1.00 0.00 H new ATOM 305 N SER A 25 6.404 4.826 5.527 1.00 0.00 N ATOM 306 CA SER A 25 6.768 3.482 5.958 1.00 0.00 C ATOM 307 C SER A 25 5.535 2.698 6.396 1.00 0.00 C ATOM 308 O SER A 25 4.562 3.273 6.883 1.00 0.00 O ATOM 309 CB SER A 25 7.778 3.548 7.106 1.00 0.00 C ATOM 310 OG SER A 25 8.834 4.444 6.805 1.00 0.00 O ATOM 0 H SER A 25 6.164 5.462 6.287 1.00 0.00 H new ATOM 0 HA SER A 25 7.222 2.967 5.112 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.275 3.867 8.019 1.00 0.00 H new ATOM 0 HB3 SER A 25 8.183 2.554 7.296 1.00 0.00 H new ATOM 0 HG SER A 25 9.694 3.999 6.956 1.00 0.00 H new ATOM 316 N MET A 26 5.584 1.382 6.217 1.00 0.00 N ATOM 317 CA MET A 26 4.471 0.518 6.595 1.00 0.00 C ATOM 318 C MET A 26 4.977 -0.787 7.201 1.00 0.00 C ATOM 319 O MET A 26 6.118 -1.187 6.972 1.00 0.00 O ATOM 320 CB MET A 26 3.592 0.222 5.378 1.00 0.00 C ATOM 321 CG MET A 26 4.383 -0.077 4.115 1.00 0.00 C ATOM 322 SD MET A 26 3.493 0.375 2.614 1.00 0.00 S ATOM 323 CE MET A 26 4.484 -0.451 1.371 1.00 0.00 C ATOM 0 H MET A 26 6.381 0.891 5.813 1.00 0.00 H new ATOM 0 HA MET A 26 3.877 1.040 7.345 1.00 0.00 H new ATOM 0 HB2 MET A 26 2.948 -0.628 5.603 1.00 0.00 H new ATOM 0 HB3 MET A 26 2.940 1.076 5.195 1.00 0.00 H new ATOM 0 HG2 MET A 26 5.330 0.462 4.148 1.00 0.00 H new ATOM 0 HG3 MET A 26 4.623 -1.140 4.084 1.00 0.00 H new ATOM 0 HE1 MET A 26 3.845 -0.764 0.545 1.00 0.00 H new ATOM 0 HE2 MET A 26 5.247 0.233 1.000 1.00 0.00 H new ATOM 0 HE3 MET A 26 4.964 -1.326 1.810 1.00 0.00 H new ATOM 333 N ALA A 27 4.121 -1.446 7.974 1.00 0.00 N ATOM 334 CA ALA A 27 4.481 -2.707 8.611 1.00 0.00 C ATOM 335 C ALA A 27 3.884 -3.892 7.860 1.00 0.00 C ATOM 336 O ALA A 27 2.786 -3.801 7.311 1.00 0.00 O ATOM 337 CB ALA A 27 4.024 -2.715 10.062 1.00 0.00 C ATOM 0 H ALA A 27 3.173 -1.128 8.175 1.00 0.00 H new ATOM 0 HA ALA A 27 5.566 -2.802 8.583 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.299 -3.663 10.525 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.503 -1.896 10.599 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.942 -2.592 10.103 1.00 0.00 H new ATOM 343 N GLU A 28 4.614 -5.003 7.840 1.00 0.00 N ATOM 344 CA GLU A 28 4.155 -6.205 7.154 1.00 0.00 C ATOM 345 C GLU A 28 2.754 -6.595 7.618 1.00 0.00 C ATOM 346 O GLU A 28 2.559 -7.005 8.762 1.00 0.00 O ATOM 347 CB GLU A 28 5.126 -7.362 7.401 1.00 0.00 C ATOM 348 CG GLU A 28 5.148 -8.387 6.280 1.00 0.00 C ATOM 349 CD GLU A 28 6.189 -9.469 6.499 1.00 0.00 C ATOM 350 OE1 GLU A 28 6.127 -10.146 7.546 1.00 0.00 O ATOM 351 OE2 GLU A 28 7.064 -9.637 5.624 1.00 0.00 O ATOM 0 H GLU A 28 5.524 -5.095 8.290 1.00 0.00 H new ATOM 0 HA GLU A 28 4.119 -5.991 6.086 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.130 -6.960 7.534 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.856 -7.860 8.332 1.00 0.00 H new ATOM 0 HG2 GLU A 28 4.164 -8.847 6.194 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.347 -7.882 5.335 1.00 0.00 H new ATOM 358 N GLY A 29 1.782 -6.464 6.721 1.00 0.00 N ATOM 359 CA GLY A 29 0.412 -6.806 7.056 1.00 0.00 C ATOM 360 C GLY A 29 -0.306 -5.682 7.776 1.00 0.00 C ATOM 361 O GLY A 29 -1.173 -5.928 8.614 1.00 0.00 O ATOM 0 H GLY A 29 1.919 -6.127 5.768 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.131 -7.054 6.144 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.406 -7.697 7.683 1.00 0.00 H new ATOM 365 N GLU A 30 0.057 -4.445 7.451 1.00 0.00 N ATOM 366 CA GLU A 30 -0.558 -3.280 8.076 1.00 0.00 C ATOM 367 C GLU A 30 -1.611 -2.663 7.159 1.00 0.00 C ATOM 368 O GLU A 30 -1.383 -2.493 5.961 1.00 0.00 O ATOM 369 CB GLU A 30 0.507 -2.237 8.421 1.00 0.00 C ATOM 370 CG GLU A 30 -0.040 -1.034 9.171 1.00 0.00 C ATOM 371 CD GLU A 30 1.056 -0.158 9.747 1.00 0.00 C ATOM 372 OE1 GLU A 30 1.683 -0.570 10.746 1.00 0.00 O ATOM 373 OE2 GLU A 30 1.287 0.940 9.198 1.00 0.00 O ATOM 0 H GLU A 30 0.773 -4.224 6.759 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.047 -3.607 8.994 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.283 -2.708 9.024 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.981 -1.896 7.501 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.658 -0.441 8.497 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.687 -1.377 9.978 1.00 0.00 H new ATOM 380 N ASP A 31 -2.763 -2.331 7.731 1.00 0.00 N ATOM 381 CA ASP A 31 -3.851 -1.733 6.967 1.00 0.00 C ATOM 382 C ASP A 31 -3.509 -0.302 6.562 1.00 0.00 C ATOM 383 O ASP A 31 -2.912 0.447 7.336 1.00 0.00 O ATOM 384 CB ASP A 31 -5.145 -1.750 7.782 1.00 0.00 C ATOM 385 CG ASP A 31 -6.337 -1.255 6.987 1.00 0.00 C ATOM 386 OD1 ASP A 31 -6.382 -0.047 6.674 1.00 0.00 O ATOM 387 OD2 ASP A 31 -7.227 -2.076 6.678 1.00 0.00 O ATOM 0 H ASP A 31 -2.967 -2.466 8.721 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.993 -2.323 6.062 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -5.339 -2.765 8.128 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -5.020 -1.129 8.669 1.00 0.00 H new ATOM 392 N LEU A 32 -3.889 0.070 5.345 1.00 0.00 N ATOM 393 CA LEU A 32 -3.622 1.411 4.836 1.00 0.00 C ATOM 394 C LEU A 32 -4.829 1.957 4.081 1.00 0.00 C ATOM 395 O LEU A 32 -5.737 1.210 3.718 1.00 0.00 O ATOM 396 CB LEU A 32 -2.397 1.395 3.920 1.00 0.00 C ATOM 397 CG LEU A 32 -1.124 0.786 4.511 1.00 0.00 C ATOM 398 CD1 LEU A 32 -0.124 0.469 3.411 1.00 0.00 C ATOM 399 CD2 LEU A 32 -0.510 1.727 5.538 1.00 0.00 C ATOM 0 H LEU A 32 -4.383 -0.538 4.692 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.424 2.063 5.686 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.653 0.845 3.015 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.180 2.420 3.619 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.388 -0.145 5.013 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.775 0.037 3.850 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.565 -0.242 2.712 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.136 1.385 2.880 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.395 1.278 5.948 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.260 2.674 5.060 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.224 1.904 6.342 1.00 0.00 H new ATOM 411 N SER A 33 -4.830 3.265 3.845 1.00 0.00 N ATOM 412 CA SER A 33 -5.926 3.913 3.133 1.00 0.00 C ATOM 413 C SER A 33 -5.467 4.411 1.766 1.00 0.00 C ATOM 414 O SER A 33 -4.715 5.381 1.666 1.00 0.00 O ATOM 415 CB SER A 33 -6.477 5.080 3.955 1.00 0.00 C ATOM 416 OG SER A 33 -7.491 4.644 4.844 1.00 0.00 O ATOM 0 H SER A 33 -4.084 3.897 4.136 1.00 0.00 H new ATOM 0 HA SER A 33 -6.716 3.177 2.985 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.669 5.544 4.520 1.00 0.00 H new ATOM 0 HB3 SER A 33 -6.878 5.842 3.287 1.00 0.00 H new ATOM 0 HG SER A 33 -7.392 5.104 5.704 1.00 0.00 H new ATOM 422 N LEU A 34 -5.925 3.740 0.715 1.00 0.00 N ATOM 423 CA LEU A 34 -5.563 4.113 -0.648 1.00 0.00 C ATOM 424 C LEU A 34 -6.037 5.527 -0.970 1.00 0.00 C ATOM 425 O LEU A 34 -7.227 5.829 -0.877 1.00 0.00 O ATOM 426 CB LEU A 34 -6.164 3.122 -1.646 1.00 0.00 C ATOM 427 CG LEU A 34 -5.487 3.054 -3.016 1.00 0.00 C ATOM 428 CD1 LEU A 34 -5.200 4.453 -3.538 1.00 0.00 C ATOM 429 CD2 LEU A 34 -4.205 2.239 -2.937 1.00 0.00 C ATOM 0 H LEU A 34 -6.548 2.935 0.780 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.476 4.087 -0.729 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.138 2.128 -1.200 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.213 3.377 -1.794 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.165 2.560 -3.712 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.718 4.386 -4.513 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.135 5.005 -3.632 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.541 4.973 -2.843 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.737 2.201 -3.921 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.521 2.704 -2.227 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.437 1.227 -2.607 1.00 0.00 H new ATOM 441 N MET A 35 -5.099 6.388 -1.351 1.00 0.00 N ATOM 442 CA MET A 35 -5.422 7.769 -1.690 1.00 0.00 C ATOM 443 C MET A 35 -5.113 8.055 -3.156 1.00 0.00 C ATOM 444 O MET A 35 -6.009 8.368 -3.939 1.00 0.00 O ATOM 445 CB MET A 35 -4.642 8.732 -0.794 1.00 0.00 C ATOM 446 CG MET A 35 -5.052 8.669 0.669 1.00 0.00 C ATOM 447 SD MET A 35 -4.801 10.234 1.529 1.00 0.00 S ATOM 448 CE MET A 35 -6.342 11.071 1.165 1.00 0.00 C ATOM 0 H MET A 35 -4.110 6.154 -1.433 1.00 0.00 H new ATOM 0 HA MET A 35 -6.489 7.917 -1.527 1.00 0.00 H new ATOM 0 HB2 MET A 35 -3.578 8.509 -0.875 1.00 0.00 H new ATOM 0 HB3 MET A 35 -4.783 9.749 -1.159 1.00 0.00 H new ATOM 0 HG2 MET A 35 -6.103 8.387 0.736 1.00 0.00 H new ATOM 0 HG3 MET A 35 -4.479 7.888 1.169 1.00 0.00 H new ATOM 0 HE1 MET A 35 -6.339 12.057 1.630 1.00 0.00 H new ATOM 0 HE2 MET A 35 -6.451 11.179 0.086 1.00 0.00 H new ATOM 0 HE3 MET A 35 -7.175 10.487 1.557 1.00 0.00 H new ATOM 458 N GLU A 36 -3.838 7.946 -3.519 1.00 0.00 N ATOM 459 CA GLU A 36 -3.412 8.195 -4.891 1.00 0.00 C ATOM 460 C GLU A 36 -3.090 6.886 -5.607 1.00 0.00 C ATOM 461 O GLU A 36 -2.161 6.173 -5.229 1.00 0.00 O ATOM 462 CB GLU A 36 -2.189 9.114 -4.910 1.00 0.00 C ATOM 463 CG GLU A 36 -2.010 9.862 -6.220 1.00 0.00 C ATOM 464 CD GLU A 36 -3.037 10.961 -6.410 1.00 0.00 C ATOM 465 OE1 GLU A 36 -4.176 10.645 -6.814 1.00 0.00 O ATOM 466 OE2 GLU A 36 -2.702 12.136 -6.154 1.00 0.00 O ATOM 0 H GLU A 36 -3.084 7.687 -2.883 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.233 8.684 -5.416 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.275 9.836 -4.098 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.296 8.520 -4.715 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.010 10.295 -6.253 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.080 9.157 -7.049 1.00 0.00 H new ATOM 473 N GLU A 37 -3.866 6.577 -6.641 1.00 0.00 N ATOM 474 CA GLU A 37 -3.664 5.354 -7.408 1.00 0.00 C ATOM 475 C GLU A 37 -2.437 5.472 -8.308 1.00 0.00 C ATOM 476 O GLU A 37 -2.050 6.571 -8.707 1.00 0.00 O ATOM 477 CB GLU A 37 -4.901 5.045 -8.253 1.00 0.00 C ATOM 478 CG GLU A 37 -5.903 4.139 -7.557 1.00 0.00 C ATOM 479 CD GLU A 37 -6.917 4.912 -6.736 1.00 0.00 C ATOM 480 OE1 GLU A 37 -6.495 5.733 -5.894 1.00 0.00 O ATOM 481 OE2 GLU A 37 -8.130 4.697 -6.935 1.00 0.00 O ATOM 0 H GLU A 37 -4.640 7.156 -6.966 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.500 4.538 -6.704 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -5.393 5.981 -8.518 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -4.586 4.576 -9.185 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.426 3.541 -8.303 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.370 3.444 -6.908 1.00 0.00 H new ATOM 488 N ASP A 38 -1.829 4.333 -8.622 1.00 0.00 N ATOM 489 CA ASP A 38 -0.646 4.308 -9.475 1.00 0.00 C ATOM 490 C ASP A 38 -1.026 4.007 -10.922 1.00 0.00 C ATOM 491 O ASP A 38 -1.620 2.970 -11.216 1.00 0.00 O ATOM 492 CB ASP A 38 0.351 3.265 -8.969 1.00 0.00 C ATOM 493 CG ASP A 38 0.140 1.905 -9.606 1.00 0.00 C ATOM 494 OD1 ASP A 38 -0.943 1.317 -9.405 1.00 0.00 O ATOM 495 OD2 ASP A 38 1.059 1.430 -10.306 1.00 0.00 O ATOM 0 H ASP A 38 -2.136 3.415 -8.299 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.180 5.293 -9.438 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.365 3.606 -9.176 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.259 3.174 -7.887 1.00 0.00 H new ATOM 500 N LYS A 39 -0.680 4.922 -11.821 1.00 0.00 N ATOM 501 CA LYS A 39 -0.983 4.756 -13.238 1.00 0.00 C ATOM 502 C LYS A 39 0.284 4.457 -14.034 1.00 0.00 C ATOM 503 O LYS A 39 1.040 5.365 -14.379 1.00 0.00 O ATOM 504 CB LYS A 39 -1.659 6.014 -13.787 1.00 0.00 C ATOM 505 CG LYS A 39 -0.829 7.275 -13.613 1.00 0.00 C ATOM 506 CD LYS A 39 -1.680 8.526 -13.752 1.00 0.00 C ATOM 507 CE LYS A 39 -0.824 9.783 -13.776 1.00 0.00 C ATOM 508 NZ LYS A 39 -1.452 10.866 -14.582 1.00 0.00 N ATOM 0 H LYS A 39 -0.189 5.787 -11.594 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.664 3.911 -13.342 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.869 5.871 -14.847 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.618 6.148 -13.287 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.352 7.265 -12.633 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.031 7.292 -14.356 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.268 8.467 -14.668 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.386 8.581 -12.923 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.666 10.134 -12.756 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.157 9.546 -14.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.838 11.705 -14.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.580 10.540 -15.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.377 11.110 -14.175 1.00 0.00 H new ATOM 522 N GLY A 40 0.508 3.179 -14.324 1.00 0.00 N ATOM 523 CA GLY A 40 1.683 2.785 -15.079 1.00 0.00 C ATOM 524 C GLY A 40 2.965 3.330 -14.482 1.00 0.00 C ATOM 525 O GLY A 40 4.002 3.364 -15.145 1.00 0.00 O ATOM 0 H GLY A 40 -0.103 2.410 -14.050 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.738 1.697 -15.118 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.586 3.137 -16.106 1.00 0.00 H new ATOM 529 N ASP A 41 2.895 3.760 -13.227 1.00 0.00 N ATOM 530 CA ASP A 41 4.060 4.308 -12.540 1.00 0.00 C ATOM 531 C ASP A 41 4.528 3.370 -11.432 1.00 0.00 C ATOM 532 O ASP A 41 5.727 3.191 -11.221 1.00 0.00 O ATOM 533 CB ASP A 41 3.735 5.684 -11.957 1.00 0.00 C ATOM 534 CG ASP A 41 3.923 6.799 -12.967 1.00 0.00 C ATOM 535 OD1 ASP A 41 5.075 7.247 -13.148 1.00 0.00 O ATOM 536 OD2 ASP A 41 2.919 7.226 -13.575 1.00 0.00 O ATOM 0 H ASP A 41 2.044 3.740 -12.664 1.00 0.00 H new ATOM 0 HA ASP A 41 4.865 4.412 -13.268 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.705 5.690 -11.600 1.00 0.00 H new ATOM 0 HB3 ASP A 41 4.373 5.869 -11.093 1.00 0.00 H new ATOM 541 N GLY A 42 3.572 2.773 -10.726 1.00 0.00 N ATOM 542 CA GLY A 42 3.907 1.862 -9.647 1.00 0.00 C ATOM 543 C GLY A 42 3.995 2.560 -8.304 1.00 0.00 C ATOM 544 O GLY A 42 4.445 1.973 -7.320 1.00 0.00 O ATOM 0 H GLY A 42 2.573 2.904 -10.882 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.156 1.074 -9.595 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.860 1.380 -9.865 1.00 0.00 H new ATOM 548 N TRP A 43 3.566 3.816 -8.264 1.00 0.00 N ATOM 549 CA TRP A 43 3.601 4.596 -7.032 1.00 0.00 C ATOM 550 C TRP A 43 2.191 4.876 -6.525 1.00 0.00 C ATOM 551 O TRP A 43 1.389 5.513 -7.208 1.00 0.00 O ATOM 552 CB TRP A 43 4.345 5.913 -7.258 1.00 0.00 C ATOM 553 CG TRP A 43 5.823 5.737 -7.437 1.00 0.00 C ATOM 554 CD1 TRP A 43 6.528 5.857 -8.600 1.00 0.00 C ATOM 555 CD2 TRP A 43 6.776 5.408 -6.420 1.00 0.00 C ATOM 556 NE1 TRP A 43 7.861 5.622 -8.368 1.00 0.00 N ATOM 557 CE2 TRP A 43 8.040 5.345 -7.039 1.00 0.00 C ATOM 558 CE3 TRP A 43 6.685 5.162 -5.048 1.00 0.00 C ATOM 559 CZ2 TRP A 43 9.201 5.045 -6.331 1.00 0.00 C ATOM 560 CZ3 TRP A 43 7.838 4.864 -4.346 1.00 0.00 C ATOM 561 CH2 TRP A 43 9.082 4.809 -4.988 1.00 0.00 C ATOM 0 H TRP A 43 3.190 4.316 -9.070 1.00 0.00 H new ATOM 0 HA TRP A 43 4.130 4.013 -6.278 1.00 0.00 H new ATOM 0 HB2 TRP A 43 3.936 6.407 -8.139 1.00 0.00 H new ATOM 0 HB3 TRP A 43 4.165 6.574 -6.410 1.00 0.00 H new ATOM 0 HD1 TRP A 43 6.100 6.101 -9.561 1.00 0.00 H new ATOM 0 HE1 TRP A 43 8.599 5.649 -9.072 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.731 5.204 -4.544 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 10.161 5.000 -6.824 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 7.779 4.670 -3.285 1.00 0.00 H new ATOM 0 HH2 TRP A 43 9.965 4.576 -4.412 1.00 0.00 H new ATOM 572 N THR A 44 1.892 4.395 -5.322 1.00 0.00 N ATOM 573 CA THR A 44 0.578 4.593 -4.724 1.00 0.00 C ATOM 574 C THR A 44 0.686 5.312 -3.384 1.00 0.00 C ATOM 575 O THR A 44 1.503 4.948 -2.538 1.00 0.00 O ATOM 576 CB THR A 44 -0.152 3.252 -4.517 1.00 0.00 C ATOM 577 OG1 THR A 44 -0.320 2.586 -5.773 1.00 0.00 O ATOM 578 CG2 THR A 44 -1.511 3.471 -3.868 1.00 0.00 C ATOM 0 H THR A 44 2.543 3.865 -4.743 1.00 0.00 H new ATOM 0 HA THR A 44 0.004 5.208 -5.417 1.00 0.00 H new ATOM 0 HB THR A 44 0.454 2.632 -3.856 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.783 1.734 -5.632 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.008 2.511 -3.732 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.378 3.952 -2.899 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.122 4.108 -4.508 1.00 0.00 H new ATOM 586 N ARG A 45 -0.144 6.333 -3.197 1.00 0.00 N ATOM 587 CA ARG A 45 -0.141 7.103 -1.959 1.00 0.00 C ATOM 588 C ARG A 45 -1.230 6.612 -1.010 1.00 0.00 C ATOM 589 O ARG A 45 -2.418 6.674 -1.326 1.00 0.00 O ATOM 590 CB ARG A 45 -0.343 8.590 -2.258 1.00 0.00 C ATOM 591 CG ARG A 45 -0.251 9.477 -1.028 1.00 0.00 C ATOM 592 CD ARG A 45 -0.599 10.921 -1.354 1.00 0.00 C ATOM 593 NE ARG A 45 -2.030 11.183 -1.218 1.00 0.00 N ATOM 594 CZ ARG A 45 -2.645 12.213 -1.786 1.00 0.00 C ATOM 595 NH1 ARG A 45 -1.959 13.074 -2.526 1.00 0.00 N ATOM 596 NH2 ARG A 45 -3.950 12.384 -1.616 1.00 0.00 N ATOM 0 H ARG A 45 -0.827 6.646 -3.887 1.00 0.00 H new ATOM 0 HA ARG A 45 0.827 6.964 -1.477 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.405 8.911 -2.983 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -1.319 8.729 -2.723 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -0.926 9.104 -0.258 1.00 0.00 H new ATOM 0 HG3 ARG A 45 0.758 9.429 -0.618 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.044 11.586 -0.692 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.284 11.149 -2.372 1.00 0.00 H new ATOM 0 HE ARG A 45 -2.587 10.539 -0.656 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.956 12.946 -2.660 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -2.434 13.865 -2.961 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -4.481 11.724 -1.048 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -4.422 13.176 -2.053 1.00 0.00 H new ATOM 610 N VAL A 46 -0.816 6.122 0.154 1.00 0.00 N ATOM 611 CA VAL A 46 -1.755 5.620 1.150 1.00 0.00 C ATOM 612 C VAL A 46 -1.728 6.476 2.411 1.00 0.00 C ATOM 613 O VAL A 46 -0.777 7.220 2.649 1.00 0.00 O ATOM 614 CB VAL A 46 -1.446 4.159 1.527 1.00 0.00 C ATOM 615 CG1 VAL A 46 -1.489 3.269 0.295 1.00 0.00 C ATOM 616 CG2 VAL A 46 -0.095 4.063 2.218 1.00 0.00 C ATOM 0 H VAL A 46 0.164 6.062 0.431 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.748 5.669 0.702 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.210 3.811 2.223 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.268 2.241 0.581 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.481 3.316 -0.153 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.748 3.612 -0.427 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.108 3.024 2.478 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.683 4.428 1.548 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.106 4.668 3.125 1.00 0.00 H new ATOM 626 N ARG A 47 -2.779 6.364 3.218 1.00 0.00 N ATOM 627 CA ARG A 47 -2.876 7.128 4.456 1.00 0.00 C ATOM 628 C ARG A 47 -2.941 6.199 5.665 1.00 0.00 C ATOM 629 O ARG A 47 -3.746 5.268 5.701 1.00 0.00 O ATOM 630 CB ARG A 47 -4.110 8.032 4.427 1.00 0.00 C ATOM 631 CG ARG A 47 -4.341 8.790 5.724 1.00 0.00 C ATOM 632 CD ARG A 47 -5.722 9.426 5.760 1.00 0.00 C ATOM 633 NE ARG A 47 -6.785 8.424 5.777 1.00 0.00 N ATOM 634 CZ ARG A 47 -8.056 8.697 5.506 1.00 0.00 C ATOM 635 NH1 ARG A 47 -8.421 9.935 5.199 1.00 0.00 N ATOM 636 NH2 ARG A 47 -8.966 7.732 5.542 1.00 0.00 N ATOM 0 H ARG A 47 -3.574 5.752 3.036 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.983 7.747 4.543 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -4.006 8.748 3.611 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.989 7.425 4.209 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -4.230 8.110 6.569 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.580 9.563 5.835 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.807 10.059 6.643 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -5.846 10.072 4.891 1.00 0.00 H new ATOM 0 HE ARG A 47 -6.537 7.462 6.010 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.725 10.680 5.171 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -9.398 10.142 4.991 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -8.690 6.779 5.778 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -9.942 7.943 5.334 1.00 0.00 H new ATOM 650 N ARG A 48 -2.089 6.459 6.651 1.00 0.00 N ATOM 651 CA ARG A 48 -2.049 5.646 7.860 1.00 0.00 C ATOM 652 C ARG A 48 -2.836 6.308 8.987 1.00 0.00 C ATOM 653 O ARG A 48 -3.003 7.527 9.010 1.00 0.00 O ATOM 654 CB ARG A 48 -0.601 5.418 8.299 1.00 0.00 C ATOM 655 CG ARG A 48 0.202 4.566 7.331 1.00 0.00 C ATOM 656 CD ARG A 48 1.667 4.496 7.733 1.00 0.00 C ATOM 657 NE ARG A 48 1.857 3.768 8.985 1.00 0.00 N ATOM 658 CZ ARG A 48 2.990 3.781 9.678 1.00 0.00 C ATOM 659 NH1 ARG A 48 4.028 4.481 9.244 1.00 0.00 N ATOM 660 NH2 ARG A 48 3.085 3.093 10.809 1.00 0.00 N ATOM 0 H ARG A 48 -1.417 7.226 6.636 1.00 0.00 H new ATOM 0 HA ARG A 48 -2.509 4.684 7.636 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -0.109 6.384 8.414 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -0.598 4.940 9.279 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -0.216 3.560 7.298 1.00 0.00 H new ATOM 0 HG3 ARG A 48 0.119 4.979 6.326 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.237 4.010 6.941 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.063 5.506 7.837 1.00 0.00 H new ATOM 0 HE ARG A 48 1.077 3.220 9.347 1.00 0.00 H new ATOM 0 HH11 ARG A 48 3.958 5.012 8.376 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.897 4.489 9.778 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.288 2.554 11.146 1.00 0.00 H new ATOM 0 HH22 ARG A 48 3.955 3.103 11.341 1.00 0.00 H new ATOM 674 N LYS A 49 -3.318 5.495 9.921 1.00 0.00 N ATOM 675 CA LYS A 49 -4.087 6.000 11.053 1.00 0.00 C ATOM 676 C LYS A 49 -3.321 7.098 11.784 1.00 0.00 C ATOM 677 O LYS A 49 -3.918 8.023 12.334 1.00 0.00 O ATOM 678 CB LYS A 49 -4.417 4.862 12.021 1.00 0.00 C ATOM 679 CG LYS A 49 -3.218 4.002 12.380 1.00 0.00 C ATOM 680 CD LYS A 49 -3.625 2.563 12.652 1.00 0.00 C ATOM 681 CE LYS A 49 -2.469 1.603 12.414 1.00 0.00 C ATOM 682 NZ LYS A 49 -1.590 1.486 13.610 1.00 0.00 N ATOM 0 H LYS A 49 -3.190 4.483 9.917 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.016 6.423 10.670 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -4.838 5.283 12.934 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -5.187 4.230 11.577 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.493 4.028 11.566 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.724 4.414 13.260 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.971 2.470 13.681 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.462 2.293 12.009 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.861 0.620 12.154 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.881 1.947 11.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -0.815 0.823 13.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.195 2.419 13.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.145 1.134 14.416 1.00 0.00 H new ATOM 696 N GLU A 50 -1.996 6.989 11.786 1.00 0.00 N ATOM 697 CA GLU A 50 -1.150 7.973 12.450 1.00 0.00 C ATOM 698 C GLU A 50 -0.888 9.168 11.539 1.00 0.00 C ATOM 699 O GLU A 50 0.215 9.714 11.514 1.00 0.00 O ATOM 700 CB GLU A 50 0.177 7.337 12.870 1.00 0.00 C ATOM 701 CG GLU A 50 0.075 6.491 14.128 1.00 0.00 C ATOM 702 CD GLU A 50 0.054 7.327 15.393 1.00 0.00 C ATOM 703 OE1 GLU A 50 1.088 7.952 15.707 1.00 0.00 O ATOM 704 OE2 GLU A 50 -0.995 7.355 16.069 1.00 0.00 O ATOM 0 H GLU A 50 -1.486 6.229 11.335 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.674 8.324 13.339 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.547 6.716 12.054 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.913 8.125 13.031 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.830 5.886 14.082 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.918 5.801 14.167 1.00 0.00 H new ATOM 711 N GLY A 51 -1.910 9.569 10.789 1.00 0.00 N ATOM 712 CA GLY A 51 -1.771 10.697 9.886 1.00 0.00 C ATOM 713 C GLY A 51 -0.517 10.609 9.039 1.00 0.00 C ATOM 714 O GLY A 51 0.057 11.629 8.660 1.00 0.00 O ATOM 0 H GLY A 51 -2.832 9.133 10.791 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.643 10.747 9.234 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.752 11.621 10.464 1.00 0.00 H new ATOM 718 N GLY A 52 -0.089 9.385 8.742 1.00 0.00 N ATOM 719 CA GLY A 52 1.104 9.191 7.939 1.00 0.00 C ATOM 720 C GLY A 52 0.784 8.944 6.478 1.00 0.00 C ATOM 721 O GLY A 52 0.259 7.890 6.121 1.00 0.00 O ATOM 0 H GLY A 52 -0.547 8.525 9.043 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.743 10.070 8.025 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.670 8.346 8.332 1.00 0.00 H new ATOM 725 N GLU A 53 1.101 9.918 5.631 1.00 0.00 N ATOM 726 CA GLU A 53 0.842 9.801 4.201 1.00 0.00 C ATOM 727 C GLU A 53 2.142 9.868 3.404 1.00 0.00 C ATOM 728 O GLU A 53 3.071 10.585 3.772 1.00 0.00 O ATOM 729 CB GLU A 53 -0.109 10.907 3.740 1.00 0.00 C ATOM 730 CG GLU A 53 -1.483 10.838 4.386 1.00 0.00 C ATOM 731 CD GLU A 53 -1.464 11.261 5.842 1.00 0.00 C ATOM 732 OE1 GLU A 53 -1.140 12.436 6.114 1.00 0.00 O ATOM 733 OE2 GLU A 53 -1.773 10.417 6.710 1.00 0.00 O ATOM 0 H GLU A 53 1.537 10.797 5.910 1.00 0.00 H new ATOM 0 HA GLU A 53 0.376 8.832 4.021 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.339 11.876 3.962 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.223 10.849 2.657 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.172 11.477 3.835 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.865 9.820 4.312 1.00 0.00 H new ATOM 740 N GLY A 54 2.199 9.115 2.310 1.00 0.00 N ATOM 741 CA GLY A 54 3.389 9.102 1.479 1.00 0.00 C ATOM 742 C GLY A 54 3.228 8.229 0.251 1.00 0.00 C ATOM 743 O GLY A 54 2.234 7.517 0.112 1.00 0.00 O ATOM 0 H GLY A 54 1.442 8.514 1.984 1.00 0.00 H new ATOM 0 HA2 GLY A 54 3.623 10.120 1.169 1.00 0.00 H new ATOM 0 HA3 GLY A 54 4.235 8.745 2.066 1.00 0.00 H new ATOM 747 N TYR A 55 4.209 8.284 -0.644 1.00 0.00 N ATOM 748 CA TYR A 55 4.171 7.495 -1.869 1.00 0.00 C ATOM 749 C TYR A 55 4.906 6.171 -1.688 1.00 0.00 C ATOM 750 O TYR A 55 6.129 6.140 -1.549 1.00 0.00 O ATOM 751 CB TYR A 55 4.790 8.281 -3.026 1.00 0.00 C ATOM 752 CG TYR A 55 3.859 9.309 -3.627 1.00 0.00 C ATOM 753 CD1 TYR A 55 2.961 8.961 -4.629 1.00 0.00 C ATOM 754 CD2 TYR A 55 3.877 10.629 -3.194 1.00 0.00 C ATOM 755 CE1 TYR A 55 2.108 9.897 -5.181 1.00 0.00 C ATOM 756 CE2 TYR A 55 3.027 11.572 -3.740 1.00 0.00 C ATOM 757 CZ TYR A 55 2.145 11.201 -4.733 1.00 0.00 C ATOM 758 OH TYR A 55 1.297 12.137 -5.280 1.00 0.00 O ATOM 0 H TYR A 55 5.040 8.867 -0.543 1.00 0.00 H new ATOM 0 HA TYR A 55 3.128 7.281 -2.101 1.00 0.00 H new ATOM 0 HB2 TYR A 55 5.691 8.782 -2.673 1.00 0.00 H new ATOM 0 HB3 TYR A 55 5.098 7.583 -3.805 1.00 0.00 H new ATOM 0 HD1 TYR A 55 2.929 7.941 -4.982 1.00 0.00 H new ATOM 0 HD2 TYR A 55 4.567 10.923 -2.417 1.00 0.00 H new ATOM 0 HE1 TYR A 55 1.416 9.609 -5.959 1.00 0.00 H new ATOM 0 HE2 TYR A 55 3.053 12.594 -3.391 1.00 0.00 H new ATOM 0 HH TYR A 55 1.449 13.006 -4.853 1.00 0.00 H new ATOM 768 N VAL A 56 4.151 5.077 -1.692 1.00 0.00 N ATOM 769 CA VAL A 56 4.729 3.748 -1.529 1.00 0.00 C ATOM 770 C VAL A 56 4.643 2.949 -2.825 1.00 0.00 C ATOM 771 O VAL A 56 3.744 3.144 -3.644 1.00 0.00 O ATOM 772 CB VAL A 56 4.025 2.963 -0.407 1.00 0.00 C ATOM 773 CG1 VAL A 56 4.179 3.682 0.925 1.00 0.00 C ATOM 774 CG2 VAL A 56 2.557 2.754 -0.743 1.00 0.00 C ATOM 0 H VAL A 56 3.137 5.085 -1.806 1.00 0.00 H new ATOM 0 HA VAL A 56 5.776 3.889 -1.261 1.00 0.00 H new ATOM 0 HB VAL A 56 4.497 1.984 -0.321 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.675 3.113 1.706 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.237 3.774 1.168 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.735 4.675 0.856 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.075 2.197 0.061 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.069 3.722 -0.858 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.473 2.193 -1.674 1.00 0.00 H new ATOM 784 N PRO A 57 5.598 2.027 -3.017 1.00 0.00 N ATOM 785 CA PRO A 57 5.651 1.179 -4.211 1.00 0.00 C ATOM 786 C PRO A 57 4.520 0.157 -4.246 1.00 0.00 C ATOM 787 O PRO A 57 4.369 -0.651 -3.329 1.00 0.00 O ATOM 788 CB PRO A 57 7.004 0.475 -4.086 1.00 0.00 C ATOM 789 CG PRO A 57 7.297 0.474 -2.625 1.00 0.00 C ATOM 790 CD PRO A 57 6.699 1.742 -2.082 1.00 0.00 C ATOM 0 HA PRO A 57 5.540 1.758 -5.128 1.00 0.00 H new ATOM 0 HB2 PRO A 57 6.960 -0.540 -4.482 1.00 0.00 H new ATOM 0 HB3 PRO A 57 7.778 1.002 -4.645 1.00 0.00 H new ATOM 0 HG2 PRO A 57 6.863 -0.401 -2.141 1.00 0.00 H new ATOM 0 HG3 PRO A 57 8.371 0.440 -2.442 1.00 0.00 H new ATOM 0 HD2 PRO A 57 6.337 1.611 -1.062 1.00 0.00 H new ATOM 0 HD3 PRO A 57 7.427 2.553 -2.060 1.00 0.00 H new ATOM 798 N THR A 58 3.726 0.195 -5.312 1.00 0.00 N ATOM 799 CA THR A 58 2.609 -0.727 -5.467 1.00 0.00 C ATOM 800 C THR A 58 3.036 -2.162 -5.179 1.00 0.00 C ATOM 801 O THR A 58 2.282 -2.938 -4.592 1.00 0.00 O ATOM 802 CB THR A 58 2.014 -0.656 -6.886 1.00 0.00 C ATOM 803 OG1 THR A 58 2.117 0.679 -7.394 1.00 0.00 O ATOM 804 CG2 THR A 58 0.556 -1.092 -6.884 1.00 0.00 C ATOM 0 H THR A 58 3.837 0.856 -6.081 1.00 0.00 H new ATOM 0 HA THR A 58 1.849 -0.425 -4.747 1.00 0.00 H new ATOM 0 HB THR A 58 2.578 -1.333 -7.527 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.312 1.183 -7.154 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.157 -1.034 -7.897 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.484 -2.118 -6.524 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.019 -0.437 -6.229 1.00 0.00 H new ATOM 812 N SER A 59 4.250 -2.508 -5.595 1.00 0.00 N ATOM 813 CA SER A 59 4.776 -3.851 -5.384 1.00 0.00 C ATOM 814 C SER A 59 4.567 -4.296 -3.940 1.00 0.00 C ATOM 815 O SER A 59 4.228 -5.450 -3.677 1.00 0.00 O ATOM 816 CB SER A 59 6.265 -3.899 -5.733 1.00 0.00 C ATOM 817 OG SER A 59 6.457 -4.078 -7.126 1.00 0.00 O ATOM 0 H SER A 59 4.888 -1.877 -6.080 1.00 0.00 H new ATOM 0 HA SER A 59 4.234 -4.533 -6.039 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.747 -2.975 -5.412 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.743 -4.714 -5.189 1.00 0.00 H new ATOM 0 HG SER A 59 7.417 -4.104 -7.323 1.00 0.00 H new ATOM 823 N TYR A 60 4.770 -3.372 -3.008 1.00 0.00 N ATOM 824 CA TYR A 60 4.606 -3.668 -1.589 1.00 0.00 C ATOM 825 C TYR A 60 3.176 -3.390 -1.136 1.00 0.00 C ATOM 826 O TYR A 60 2.932 -3.069 0.028 1.00 0.00 O ATOM 827 CB TYR A 60 5.587 -2.840 -0.757 1.00 0.00 C ATOM 828 CG TYR A 60 7.027 -3.274 -0.911 1.00 0.00 C ATOM 829 CD1 TYR A 60 7.634 -3.304 -2.161 1.00 0.00 C ATOM 830 CD2 TYR A 60 7.781 -3.653 0.193 1.00 0.00 C ATOM 831 CE1 TYR A 60 8.949 -3.700 -2.306 1.00 0.00 C ATOM 832 CE2 TYR A 60 9.097 -4.048 0.057 1.00 0.00 C ATOM 833 CZ TYR A 60 9.677 -4.071 -1.195 1.00 0.00 C ATOM 834 OH TYR A 60 10.988 -4.465 -1.335 1.00 0.00 O ATOM 0 H TYR A 60 5.048 -2.412 -3.209 1.00 0.00 H new ATOM 0 HA TYR A 60 4.816 -4.727 -1.438 1.00 0.00 H new ATOM 0 HB2 TYR A 60 5.499 -1.792 -1.044 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.306 -2.907 0.294 1.00 0.00 H new ATOM 0 HD1 TYR A 60 7.068 -3.013 -3.033 1.00 0.00 H new ATOM 0 HD2 TYR A 60 7.330 -3.638 1.174 1.00 0.00 H new ATOM 0 HE1 TYR A 60 9.405 -3.719 -3.285 1.00 0.00 H new ATOM 0 HE2 TYR A 60 9.669 -4.337 0.926 1.00 0.00 H new ATOM 0 HH TYR A 60 11.357 -4.692 -0.456 1.00 0.00 H new ATOM 844 N LEU A 61 2.233 -3.515 -2.064 1.00 0.00 N ATOM 845 CA LEU A 61 0.826 -3.278 -1.762 1.00 0.00 C ATOM 846 C LEU A 61 -0.050 -4.377 -2.353 1.00 0.00 C ATOM 847 O LEU A 61 -0.120 -4.542 -3.572 1.00 0.00 O ATOM 848 CB LEU A 61 0.390 -1.915 -2.305 1.00 0.00 C ATOM 849 CG LEU A 61 1.072 -0.696 -1.683 1.00 0.00 C ATOM 850 CD1 LEU A 61 0.529 0.587 -2.292 1.00 0.00 C ATOM 851 CD2 LEU A 61 0.884 -0.693 -0.173 1.00 0.00 C ATOM 0 H LEU A 61 2.418 -3.779 -3.032 1.00 0.00 H new ATOM 0 HA LEU A 61 0.706 -3.286 -0.679 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.572 -1.899 -3.380 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.686 -1.817 -2.162 1.00 0.00 H new ATOM 0 HG LEU A 61 2.139 -0.752 -1.896 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.026 1.444 -1.837 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.715 0.587 -3.366 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.544 0.651 -2.110 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.376 0.181 0.253 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.180 -0.661 0.061 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.321 -1.597 0.250 1.00 0.00 H new ATOM 863 N ARG A 62 -0.720 -5.126 -1.483 1.00 0.00 N ATOM 864 CA ARG A 62 -1.593 -6.209 -1.918 1.00 0.00 C ATOM 865 C ARG A 62 -3.059 -5.846 -1.701 1.00 0.00 C ATOM 866 O ARG A 62 -3.538 -5.807 -0.567 1.00 0.00 O ATOM 867 CB ARG A 62 -1.257 -7.497 -1.165 1.00 0.00 C ATOM 868 CG ARG A 62 -2.282 -8.603 -1.362 1.00 0.00 C ATOM 869 CD ARG A 62 -1.932 -9.839 -0.549 1.00 0.00 C ATOM 870 NE ARG A 62 -2.859 -10.939 -0.798 1.00 0.00 N ATOM 871 CZ ARG A 62 -2.659 -12.180 -0.370 1.00 0.00 C ATOM 872 NH1 ARG A 62 -1.569 -12.478 0.324 1.00 0.00 N ATOM 873 NH2 ARG A 62 -3.550 -13.127 -0.637 1.00 0.00 N ATOM 0 H ARG A 62 -0.675 -5.002 -0.472 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.431 -6.368 -2.984 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -0.281 -7.855 -1.492 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.175 -7.275 -0.101 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -3.268 -8.242 -1.071 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -2.337 -8.865 -2.419 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -0.918 -10.157 -0.792 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -1.942 -9.590 0.512 1.00 0.00 H new ATOM 0 HE ARG A 62 -3.707 -10.744 -1.330 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -0.882 -11.753 0.530 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -1.418 -13.432 0.652 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -4.389 -12.902 -1.171 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -3.396 -14.080 -0.308 1.00 0.00 H new ATOM 887 N VAL A 63 -3.766 -5.582 -2.795 1.00 0.00 N ATOM 888 CA VAL A 63 -5.178 -5.223 -2.724 1.00 0.00 C ATOM 889 C VAL A 63 -5.960 -6.231 -1.889 1.00 0.00 C ATOM 890 O VAL A 63 -5.708 -7.435 -1.951 1.00 0.00 O ATOM 891 CB VAL A 63 -5.806 -5.138 -4.127 1.00 0.00 C ATOM 892 CG1 VAL A 63 -7.292 -4.828 -4.029 1.00 0.00 C ATOM 893 CG2 VAL A 63 -5.090 -4.093 -4.969 1.00 0.00 C ATOM 0 H VAL A 63 -3.385 -5.610 -3.741 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.232 -4.243 -2.250 1.00 0.00 H new ATOM 0 HB VAL A 63 -5.692 -6.106 -4.616 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.719 -4.772 -5.030 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.792 -5.616 -3.465 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.432 -3.874 -3.521 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -5.547 -4.047 -5.957 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.170 -3.119 -4.486 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.039 -4.363 -5.068 1.00 0.00 H new ATOM 903 N THR A 64 -6.912 -5.732 -1.107 1.00 0.00 N ATOM 904 CA THR A 64 -7.732 -6.588 -0.259 1.00 0.00 C ATOM 905 C THR A 64 -9.090 -6.856 -0.897 1.00 0.00 C ATOM 906 O THR A 64 -9.941 -5.969 -0.962 1.00 0.00 O ATOM 907 CB THR A 64 -7.945 -5.961 1.132 1.00 0.00 C ATOM 908 OG1 THR A 64 -8.695 -4.747 1.013 1.00 0.00 O ATOM 909 CG2 THR A 64 -6.612 -5.676 1.807 1.00 0.00 C ATOM 0 H THR A 64 -7.134 -4.739 -1.043 1.00 0.00 H new ATOM 0 HA THR A 64 -7.195 -7.530 -0.147 1.00 0.00 H new ATOM 0 HB THR A 64 -8.500 -6.671 1.745 1.00 0.00 H new ATOM 0 HG1 THR A 64 -9.333 -4.828 0.273 1.00 0.00 H new ATOM 0 HG21 THR A 64 -6.788 -5.234 2.788 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.057 -6.607 1.923 1.00 0.00 H new ATOM 0 HG23 THR A 64 -6.035 -4.983 1.195 1.00 0.00 H new ATOM 917 N SER A 65 -9.286 -8.084 -1.366 1.00 0.00 N ATOM 918 CA SER A 65 -10.541 -8.468 -2.002 1.00 0.00 C ATOM 919 C SER A 65 -11.485 -9.115 -0.993 1.00 0.00 C ATOM 920 O SER A 65 -11.058 -9.595 0.056 1.00 0.00 O ATOM 921 CB SER A 65 -10.276 -9.431 -3.160 1.00 0.00 C ATOM 922 OG SER A 65 -9.624 -8.772 -4.232 1.00 0.00 O ATOM 0 H SER A 65 -8.592 -8.830 -1.318 1.00 0.00 H new ATOM 0 HA SER A 65 -11.015 -7.566 -2.390 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.662 -10.262 -2.813 1.00 0.00 H new ATOM 0 HB3 SER A 65 -11.218 -9.854 -3.508 1.00 0.00 H new ATOM 0 HG SER A 65 -9.464 -9.409 -4.959 1.00 0.00 H new ATOM 928 N GLY A 66 -12.774 -9.124 -1.320 1.00 0.00 N ATOM 929 CA GLY A 66 -13.760 -9.714 -0.433 1.00 0.00 C ATOM 930 C GLY A 66 -15.010 -8.864 -0.308 1.00 0.00 C ATOM 931 O GLY A 66 -15.164 -8.084 0.631 1.00 0.00 O ATOM 0 H GLY A 66 -13.153 -8.733 -2.183 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -14.032 -10.702 -0.803 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -13.319 -9.854 0.554 1.00 0.00 H new ATOM 935 N PRO A 67 -15.928 -9.011 -1.275 1.00 0.00 N ATOM 936 CA PRO A 67 -17.186 -8.258 -1.292 1.00 0.00 C ATOM 937 C PRO A 67 -18.139 -8.696 -0.184 1.00 0.00 C ATOM 938 O PRO A 67 -19.261 -8.201 -0.087 1.00 0.00 O ATOM 939 CB PRO A 67 -17.777 -8.586 -2.666 1.00 0.00 C ATOM 940 CG PRO A 67 -17.188 -9.906 -3.026 1.00 0.00 C ATOM 941 CD PRO A 67 -15.810 -9.923 -2.425 1.00 0.00 C ATOM 0 HA PRO A 67 -17.026 -7.193 -1.125 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -18.865 -8.635 -2.627 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -17.518 -7.823 -3.401 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -17.794 -10.723 -2.635 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -17.143 -10.031 -4.108 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -15.520 -10.927 -2.114 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -15.058 -9.579 -3.135 1.00 0.00 H new ATOM 949 N SER A 68 -17.683 -9.626 0.648 1.00 0.00 N ATOM 950 CA SER A 68 -18.496 -10.133 1.747 1.00 0.00 C ATOM 951 C SER A 68 -18.399 -9.216 2.963 1.00 0.00 C ATOM 952 O SER A 68 -19.389 -8.975 3.653 1.00 0.00 O ATOM 953 CB SER A 68 -18.056 -11.548 2.126 1.00 0.00 C ATOM 954 OG SER A 68 -18.673 -11.970 3.329 1.00 0.00 O ATOM 0 H SER A 68 -16.755 -10.044 0.582 1.00 0.00 H new ATOM 0 HA SER A 68 -19.534 -10.160 1.415 1.00 0.00 H new ATOM 0 HB2 SER A 68 -18.310 -12.239 1.322 1.00 0.00 H new ATOM 0 HB3 SER A 68 -16.972 -11.577 2.240 1.00 0.00 H new ATOM 0 HG SER A 68 -18.376 -12.878 3.548 1.00 0.00 H new ATOM 960 N SER A 69 -17.198 -8.708 3.219 1.00 0.00 N ATOM 961 CA SER A 69 -16.968 -7.821 4.353 1.00 0.00 C ATOM 962 C SER A 69 -17.464 -8.456 5.648 1.00 0.00 C ATOM 963 O SER A 69 -17.820 -7.760 6.598 1.00 0.00 O ATOM 964 CB SER A 69 -17.670 -6.480 4.128 1.00 0.00 C ATOM 965 OG SER A 69 -16.828 -5.574 3.436 1.00 0.00 O ATOM 0 H SER A 69 -16.369 -8.896 2.656 1.00 0.00 H new ATOM 0 HA SER A 69 -15.895 -7.652 4.439 1.00 0.00 H new ATOM 0 HB2 SER A 69 -18.587 -6.637 3.559 1.00 0.00 H new ATOM 0 HB3 SER A 69 -17.960 -6.052 5.088 1.00 0.00 H new ATOM 0 HG SER A 69 -17.300 -4.725 3.303 1.00 0.00 H new ATOM 971 N GLY A 70 -17.484 -9.785 5.679 1.00 0.00 N ATOM 972 CA GLY A 70 -17.937 -10.493 6.862 1.00 0.00 C ATOM 973 C GLY A 70 -19.203 -11.289 6.611 1.00 0.00 C ATOM 974 O GLY A 70 -19.964 -11.565 7.538 1.00 0.00 O ATOM 0 H GLY A 70 -17.195 -10.384 4.906 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -17.150 -11.166 7.203 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -18.114 -9.777 7.665 1.00 0.00 H new TER 978 GLY A 70