USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 420 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 16 THR OG1 : rot 162:sc= 0.185 USER MOD Set 1.2: A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 166:sc= -8.47! (180deg=-9.62!) USER MOD Single : A 1 MET N :NH3+ -179:sc= 0.886 (180deg=0.884) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 3 TYR OH : rot -130:sc= -1.37 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -1.51 K(o=-1.5,f=-5.8!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0028 USER MOD Single : A 13 LYS NZ :NH3+ -158:sc= -10.7! (180deg=-11.1!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 140:sc= 0 USER MOD Single : A 25 THR OG1 : rot 88:sc= -0.372 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN :FLIP amide:sc= -0.0128 F(o=-1.6!,f=-0.013) USER MOD Single : A 35 ASN :FLIP amide:sc= -0.209 F(o=-1.8!,f=-0.21) USER MOD Single : A 37 ASN : amide:sc= -2.33! C(o=-2.3!,f=-4!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0626 USER MOD Single : A 45 TYR OH : rot 180:sc= -0.0944 USER MOD Single : A 49 THR OG1 : rot -124:sc= -1.06! USER MOD Single : A 50 LYS NZ :NH3+ 173:sc= 1.03 (180deg=1.01) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= -3.41! USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.533 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.557 27.679 26.459 1.00 1.00 N ATOM 2 CA MET A 1 0.242 27.931 25.228 1.00 1.00 C ATOM 3 C MET A 1 -0.244 26.960 24.143 1.00 1.00 C ATOM 4 O MET A 1 -0.658 25.850 24.455 1.00 1.00 O ATOM 5 CB MET A 1 1.733 27.715 25.559 1.00 1.00 C ATOM 6 CG MET A 1 2.647 28.567 24.637 1.00 1.00 C ATOM 7 SD MET A 1 3.873 27.501 23.842 1.00 1.00 S ATOM 8 CE MET A 1 2.804 26.953 22.495 1.00 1.00 C ATOM 0 H1 MET A 1 -0.259 28.337 27.207 1.00 1.00 H new ATOM 0 H2 MET A 1 -1.566 27.823 26.253 1.00 1.00 H new ATOM 0 H3 MET A 1 -0.405 26.701 26.778 1.00 1.00 H new ATOM 0 HA MET A 1 0.119 28.952 24.866 1.00 1.00 H new ATOM 0 HB2 MET A 1 1.918 27.978 26.601 1.00 1.00 H new ATOM 0 HB3 MET A 1 1.983 26.660 25.447 1.00 1.00 H new ATOM 0 HG2 MET A 1 2.047 29.074 23.881 1.00 1.00 H new ATOM 0 HG3 MET A 1 3.147 29.341 25.219 1.00 1.00 H new ATOM 0 HE1 MET A 1 3.407 26.475 21.723 1.00 1.00 H new ATOM 0 HE2 MET A 1 2.073 26.240 22.877 1.00 1.00 H new ATOM 0 HE3 MET A 1 2.285 27.812 22.070 1.00 1.00 H new ATOM 20 N GLN A 2 -0.246 27.394 22.881 1.00 1.00 N ATOM 21 CA GLN A 2 -0.772 26.547 21.798 1.00 1.00 C ATOM 22 C GLN A 2 0.299 25.944 20.882 1.00 1.00 C ATOM 23 O GLN A 2 1.166 26.633 20.348 1.00 1.00 O ATOM 24 CB GLN A 2 -1.755 27.363 20.970 1.00 1.00 C ATOM 25 CG GLN A 2 -2.343 26.475 19.884 1.00 1.00 C ATOM 26 CD GLN A 2 -3.530 27.176 19.225 1.00 1.00 C ATOM 27 OE1 GLN A 2 -3.369 28.252 18.648 1.00 1.00 O ATOM 28 NE2 GLN A 2 -4.723 26.642 19.290 1.00 1.00 N ATOM 0 H GLN A 2 0.101 28.306 22.583 1.00 1.00 H new ATOM 0 HA GLN A 2 -1.258 25.697 22.278 1.00 1.00 H new ATOM 0 HB2 GLN A 2 -2.548 27.755 21.606 1.00 1.00 H new ATOM 0 HB3 GLN A 2 -1.251 28.220 20.524 1.00 1.00 H new ATOM 0 HG2 GLN A 2 -1.583 26.248 19.137 1.00 1.00 H new ATOM 0 HG3 GLN A 2 -2.663 25.525 20.312 1.00 1.00 H new ATOM 0 HE21 GLN A 2 -4.858 25.751 19.768 1.00 1.00 H new ATOM 0 HE22 GLN A 2 -5.518 27.117 18.863 1.00 1.00 H new ATOM 37 N TYR A 3 0.168 24.617 20.705 1.00 1.00 N ATOM 38 CA TYR A 3 1.051 23.820 19.848 1.00 1.00 C ATOM 39 C TYR A 3 0.252 23.136 18.754 1.00 1.00 C ATOM 40 O TYR A 3 -0.971 22.997 18.860 1.00 1.00 O ATOM 41 CB TYR A 3 1.753 22.747 20.664 1.00 1.00 C ATOM 42 CG TYR A 3 2.303 23.360 21.903 1.00 1.00 C ATOM 43 CD1 TYR A 3 1.444 23.596 22.975 1.00 1.00 C ATOM 44 CD2 TYR A 3 3.656 23.692 21.988 1.00 1.00 C ATOM 45 CE1 TYR A 3 1.933 24.168 24.138 1.00 1.00 C ATOM 46 CE2 TYR A 3 4.148 24.264 23.157 1.00 1.00 C ATOM 47 CZ TYR A 3 3.282 24.500 24.228 1.00 1.00 C ATOM 48 OH TYR A 3 3.764 25.076 25.376 1.00 1.00 O ATOM 0 H TYR A 3 -0.561 24.067 21.159 1.00 1.00 H new ATOM 0 HA TYR A 3 1.785 24.495 19.407 1.00 1.00 H new ATOM 0 HB2 TYR A 3 1.054 21.950 20.917 1.00 1.00 H new ATOM 0 HB3 TYR A 3 2.555 22.295 20.080 1.00 1.00 H new ATOM 0 HD1 TYR A 3 0.399 23.333 22.899 1.00 1.00 H new ATOM 0 HD2 TYR A 3 4.316 23.506 21.153 1.00 1.00 H new ATOM 0 HE1 TYR A 3 1.271 24.355 24.971 1.00 1.00 H new ATOM 0 HE2 TYR A 3 5.193 24.524 23.236 1.00 1.00 H new ATOM 0 HH TYR A 3 4.286 25.874 25.148 1.00 1.00 H new ATOM 58 N LYS A 4 0.943 22.690 17.702 1.00 1.00 N ATOM 59 CA LYS A 4 0.286 21.998 16.585 1.00 1.00 C ATOM 60 C LYS A 4 1.082 20.754 16.206 1.00 1.00 C ATOM 61 O LYS A 4 2.302 20.733 16.296 1.00 1.00 O ATOM 62 CB LYS A 4 0.177 22.962 15.390 1.00 1.00 C ATOM 63 CG LYS A 4 -0.622 22.332 14.239 1.00 1.00 C ATOM 64 CD LYS A 4 -0.840 23.391 13.144 1.00 1.00 C ATOM 65 CE LYS A 4 -1.689 22.802 12.013 1.00 1.00 C ATOM 66 NZ LYS A 4 -1.572 23.660 10.796 1.00 1.00 N ATOM 0 H LYS A 4 1.952 22.794 17.598 1.00 1.00 H new ATOM 0 HA LYS A 4 -0.715 21.684 16.880 1.00 1.00 H new ATOM 0 HB2 LYS A 4 -0.305 23.886 15.708 1.00 1.00 H new ATOM 0 HB3 LYS A 4 1.175 23.227 15.041 1.00 1.00 H new ATOM 0 HG2 LYS A 4 -0.085 21.475 13.833 1.00 1.00 H new ATOM 0 HG3 LYS A 4 -1.581 21.964 14.603 1.00 1.00 H new ATOM 0 HD2 LYS A 4 -1.335 24.266 13.565 1.00 1.00 H new ATOM 0 HD3 LYS A 4 0.121 23.726 12.753 1.00 1.00 H new ATOM 0 HE2 LYS A 4 -1.359 21.788 11.788 1.00 1.00 H new ATOM 0 HE3 LYS A 4 -2.732 22.736 12.324 1.00 1.00 H new ATOM 0 HZ1 LYS A 4 -2.149 23.257 10.031 1.00 1.00 H new ATOM 0 HZ2 LYS A 4 -1.907 24.620 11.014 1.00 1.00 H new ATOM 0 HZ3 LYS A 4 -0.578 23.701 10.494 1.00 1.00 H new ATOM 80 N LEU A 5 0.373 19.706 15.800 1.00 1.00 N ATOM 81 CA LEU A 5 0.999 18.442 15.422 1.00 1.00 C ATOM 82 C LEU A 5 0.764 18.179 13.933 1.00 1.00 C ATOM 83 O LEU A 5 -0.361 18.296 13.451 1.00 1.00 O ATOM 84 CB LEU A 5 0.358 17.311 16.249 1.00 1.00 C ATOM 85 CG LEU A 5 1.264 16.055 16.396 1.00 1.00 C ATOM 86 CD1 LEU A 5 0.383 14.851 16.774 1.00 1.00 C ATOM 87 CD2 LEU A 5 2.017 15.714 15.101 1.00 1.00 C ATOM 0 H LEU A 5 -0.644 19.707 15.724 1.00 1.00 H new ATOM 0 HA LEU A 5 2.071 18.485 15.613 1.00 1.00 H new ATOM 0 HB2 LEU A 5 0.115 17.691 17.241 1.00 1.00 H new ATOM 0 HB3 LEU A 5 -0.582 17.018 15.781 1.00 1.00 H new ATOM 0 HG LEU A 5 2.004 16.274 17.166 1.00 1.00 H new ATOM 0 HD11 LEU A 5 1.006 13.963 16.880 1.00 1.00 H new ATOM 0 HD12 LEU A 5 -0.124 15.053 17.717 1.00 1.00 H new ATOM 0 HD13 LEU A 5 -0.358 14.683 15.992 1.00 1.00 H new ATOM 0 HD21 LEU A 5 2.634 14.830 15.261 1.00 1.00 H new ATOM 0 HD22 LEU A 5 1.300 15.517 14.304 1.00 1.00 H new ATOM 0 HD23 LEU A 5 2.653 16.553 14.818 1.00 1.00 H new ATOM 99 N ILE A 6 1.825 17.784 13.223 1.00 1.00 N ATOM 100 CA ILE A 6 1.730 17.443 11.791 1.00 1.00 C ATOM 101 C ILE A 6 1.877 15.950 11.635 1.00 1.00 C ATOM 102 O ILE A 6 2.818 15.346 12.142 1.00 1.00 O ATOM 103 CB ILE A 6 2.820 18.127 10.987 1.00 1.00 C ATOM 104 CG1 ILE A 6 2.727 19.637 11.202 1.00 1.00 C ATOM 105 CG2 ILE A 6 2.660 17.782 9.502 1.00 1.00 C ATOM 106 CD1 ILE A 6 1.349 20.175 10.794 1.00 1.00 C ATOM 0 H ILE A 6 2.763 17.691 13.613 1.00 1.00 H new ATOM 0 HA ILE A 6 0.763 17.781 11.420 1.00 1.00 H new ATOM 0 HB ILE A 6 3.799 17.781 11.317 1.00 1.00 H new ATOM 0 HG12 ILE A 6 2.915 19.869 12.250 1.00 1.00 H new ATOM 0 HG13 ILE A 6 3.502 20.138 10.621 1.00 1.00 H new ATOM 0 HG21 ILE A 6 3.444 18.275 8.927 1.00 1.00 H new ATOM 0 HG22 ILE A 6 2.736 16.703 9.369 1.00 1.00 H new ATOM 0 HG23 ILE A 6 1.685 18.123 9.152 1.00 1.00 H new ATOM 0 HD11 ILE A 6 1.315 21.252 10.959 1.00 1.00 H new ATOM 0 HD12 ILE A 6 1.174 19.964 9.739 1.00 1.00 H new ATOM 0 HD13 ILE A 6 0.578 19.692 11.394 1.00 1.00 H new ATOM 118 N LEU A 7 0.918 15.341 10.968 1.00 1.00 N ATOM 119 CA LEU A 7 0.913 13.908 10.796 1.00 1.00 C ATOM 120 C LEU A 7 1.238 13.438 9.395 1.00 1.00 C ATOM 121 O LEU A 7 0.539 13.764 8.432 1.00 1.00 O ATOM 122 CB LEU A 7 -0.479 13.428 11.172 1.00 1.00 C ATOM 123 CG LEU A 7 -0.743 13.800 12.642 1.00 1.00 C ATOM 124 CD1 LEU A 7 -2.253 13.967 12.892 1.00 1.00 C ATOM 125 CD2 LEU A 7 -0.156 12.704 13.544 1.00 1.00 C ATOM 0 H LEU A 7 0.129 15.822 10.535 1.00 1.00 H new ATOM 0 HA LEU A 7 1.700 13.495 11.427 1.00 1.00 H new ATOM 0 HB2 LEU A 7 -1.226 13.888 10.525 1.00 1.00 H new ATOM 0 HB3 LEU A 7 -0.558 12.350 11.034 1.00 1.00 H new ATOM 0 HG LEU A 7 -0.263 14.751 12.873 1.00 1.00 H new ATOM 0 HD11 LEU A 7 -2.422 14.230 13.936 1.00 1.00 H new ATOM 0 HD12 LEU A 7 -2.643 14.758 12.251 1.00 1.00 H new ATOM 0 HD13 LEU A 7 -2.765 13.032 12.666 1.00 1.00 H new ATOM 0 HD21 LEU A 7 -0.337 12.957 14.589 1.00 1.00 H new ATOM 0 HD22 LEU A 7 -0.631 11.750 13.314 1.00 1.00 H new ATOM 0 HD23 LEU A 7 0.917 12.626 13.370 1.00 1.00 H new ATOM 137 N ASN A 8 2.265 12.601 9.317 1.00 1.00 N ATOM 138 CA ASN A 8 2.683 11.975 8.075 1.00 1.00 C ATOM 139 C ASN A 8 2.795 10.473 8.331 1.00 1.00 C ATOM 140 O ASN A 8 3.865 9.876 8.198 1.00 1.00 O ATOM 141 CB ASN A 8 4.030 12.541 7.631 1.00 1.00 C ATOM 142 CG ASN A 8 4.422 11.944 6.285 1.00 1.00 C ATOM 143 OD1 ASN A 8 3.842 10.948 5.854 1.00 1.00 O ATOM 144 ND2 ASN A 8 5.375 12.501 5.587 1.00 1.00 N ATOM 0 H ASN A 8 2.834 12.337 10.122 1.00 1.00 H new ATOM 0 HA ASN A 8 1.961 12.171 7.283 1.00 1.00 H new ATOM 0 HB2 ASN A 8 3.971 13.627 7.554 1.00 1.00 H new ATOM 0 HB3 ASN A 8 4.793 12.315 8.376 1.00 1.00 H new ATOM 0 HD21 ASN A 8 5.640 12.110 4.683 1.00 1.00 H new ATOM 0 HD22 ASN A 8 5.854 13.327 5.946 1.00 1.00 H new ATOM 151 N GLY A 9 1.678 9.867 8.725 1.00 1.00 N ATOM 152 CA GLY A 9 1.658 8.437 9.021 1.00 1.00 C ATOM 153 C GLY A 9 1.269 7.627 7.808 1.00 1.00 C ATOM 154 O GLY A 9 0.589 8.118 6.910 1.00 1.00 O ATOM 0 H GLY A 9 0.782 10.339 8.846 1.00 1.00 H new ATOM 0 HA2 GLY A 9 2.642 8.123 9.370 1.00 1.00 H new ATOM 0 HA3 GLY A 9 0.955 8.242 9.831 1.00 1.00 H new ATOM 158 N LYS A 10 1.720 6.381 7.775 1.00 1.00 N ATOM 159 CA LYS A 10 1.397 5.540 6.626 1.00 1.00 C ATOM 160 C LYS A 10 -0.083 5.178 6.678 1.00 1.00 C ATOM 161 O LYS A 10 -0.714 4.950 5.645 1.00 1.00 O ATOM 162 CB LYS A 10 2.259 4.272 6.624 1.00 1.00 C ATOM 163 CG LYS A 10 2.122 3.543 7.962 1.00 1.00 C ATOM 164 CD LYS A 10 3.088 2.359 7.995 1.00 1.00 C ATOM 165 CE LYS A 10 2.990 1.648 9.346 1.00 1.00 C ATOM 166 NZ LYS A 10 3.942 0.502 9.365 1.00 1.00 N ATOM 0 H LYS A 10 2.289 5.941 8.498 1.00 1.00 H new ATOM 0 HA LYS A 10 1.607 6.087 5.707 1.00 1.00 H new ATOM 0 HB2 LYS A 10 1.952 3.615 5.810 1.00 1.00 H new ATOM 0 HB3 LYS A 10 3.303 4.532 6.448 1.00 1.00 H new ATOM 0 HG2 LYS A 10 2.337 4.225 8.784 1.00 1.00 H new ATOM 0 HG3 LYS A 10 1.098 3.195 8.096 1.00 1.00 H new ATOM 0 HD2 LYS A 10 2.853 1.663 7.190 1.00 1.00 H new ATOM 0 HD3 LYS A 10 4.108 2.705 7.829 1.00 1.00 H new ATOM 0 HE2 LYS A 10 3.221 2.342 10.154 1.00 1.00 H new ATOM 0 HE3 LYS A 10 1.972 1.294 9.512 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 3.880 0.014 10.281 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 3.701 -0.162 8.602 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 4.911 0.853 9.225 1.00 1.00 H new ATOM 180 N THR A 11 -0.639 5.161 7.890 1.00 1.00 N ATOM 181 CA THR A 11 -2.057 4.865 8.089 1.00 1.00 C ATOM 182 C THR A 11 -2.803 6.096 8.609 1.00 1.00 C ATOM 183 O THR A 11 -4.028 6.170 8.514 1.00 1.00 O ATOM 184 CB THR A 11 -2.212 3.714 9.094 1.00 1.00 C ATOM 185 OG1 THR A 11 -1.324 3.920 10.185 1.00 1.00 O ATOM 186 CG2 THR A 11 -1.889 2.378 8.415 1.00 1.00 C ATOM 0 H THR A 11 -0.126 5.350 8.751 1.00 1.00 H new ATOM 0 HA THR A 11 -2.484 4.577 7.128 1.00 1.00 H new ATOM 0 HB THR A 11 -3.240 3.689 9.456 1.00 1.00 H new ATOM 0 HG1 THR A 11 -1.422 3.188 10.829 1.00 1.00 H new ATOM 0 HG21 THR A 11 -2.001 1.567 9.135 1.00 1.00 H new ATOM 0 HG22 THR A 11 -2.572 2.219 7.580 1.00 1.00 H new ATOM 0 HG23 THR A 11 -0.863 2.396 8.046 1.00 1.00 H new ATOM 194 N LEU A 12 -2.064 7.042 9.205 1.00 1.00 N ATOM 195 CA LEU A 12 -2.683 8.234 9.782 1.00 1.00 C ATOM 196 C LEU A 12 -2.004 9.521 9.315 1.00 1.00 C ATOM 197 O LEU A 12 -0.806 9.718 9.505 1.00 1.00 O ATOM 198 CB LEU A 12 -2.623 8.110 11.301 1.00 1.00 C ATOM 199 CG LEU A 12 -3.441 9.230 11.958 1.00 1.00 C ATOM 200 CD1 LEU A 12 -3.762 8.835 13.409 1.00 1.00 C ATOM 201 CD2 LEU A 12 -2.662 10.564 11.928 1.00 1.00 C ATOM 0 H LEU A 12 -1.049 7.003 9.298 1.00 1.00 H new ATOM 0 HA LEU A 12 -3.718 8.296 9.445 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -3.010 7.139 11.609 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -1.587 8.162 11.637 1.00 1.00 H new ATOM 0 HG LEU A 12 -4.369 9.368 11.403 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -4.343 9.627 13.882 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -4.337 7.909 13.415 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -2.833 8.688 13.960 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -3.259 11.345 12.399 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -1.723 10.449 12.470 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -2.453 10.840 10.894 1.00 1.00 H new ATOM 213 N LYS A 13 -2.797 10.397 8.701 1.00 1.00 N ATOM 214 CA LYS A 13 -2.298 11.680 8.198 1.00 1.00 C ATOM 215 C LYS A 13 -3.252 12.811 8.538 1.00 1.00 C ATOM 216 O LYS A 13 -4.456 12.609 8.693 1.00 1.00 O ATOM 217 CB LYS A 13 -2.112 11.604 6.669 1.00 1.00 C ATOM 218 CG LYS A 13 -0.684 11.113 6.323 1.00 1.00 C ATOM 219 CD LYS A 13 -0.706 10.226 5.066 1.00 1.00 C ATOM 220 CE LYS A 13 -1.541 8.946 5.315 1.00 1.00 C ATOM 221 NZ LYS A 13 -1.743 8.734 6.782 1.00 1.00 N ATOM 0 H LYS A 13 -3.792 10.243 8.538 1.00 1.00 H new ATOM 0 HA LYS A 13 -1.340 11.883 8.677 1.00 1.00 H new ATOM 0 HB2 LYS A 13 -2.850 10.927 6.240 1.00 1.00 H new ATOM 0 HB3 LYS A 13 -2.284 12.585 6.226 1.00 1.00 H new ATOM 0 HG2 LYS A 13 -0.029 11.969 6.159 1.00 1.00 H new ATOM 0 HG3 LYS A 13 -0.273 10.553 7.163 1.00 1.00 H new ATOM 0 HD2 LYS A 13 -1.126 10.783 4.229 1.00 1.00 H new ATOM 0 HD3 LYS A 13 0.312 9.954 4.789 1.00 1.00 H new ATOM 0 HE2 LYS A 13 -2.507 9.031 4.817 1.00 1.00 H new ATOM 0 HE3 LYS A 13 -1.034 8.083 4.883 1.00 1.00 H new ATOM 0 HZ1 LYS A 13 -1.958 7.733 6.962 1.00 1.00 H new ATOM 0 HZ2 LYS A 13 -0.877 8.999 7.294 1.00 1.00 H new ATOM 0 HZ3 LYS A 13 -2.534 9.323 7.112 1.00 1.00 H new ATOM 235 N GLY A 14 -2.695 14.010 8.621 1.00 1.00 N ATOM 236 CA GLY A 14 -3.478 15.201 8.903 1.00 1.00 C ATOM 237 C GLY A 14 -2.736 16.102 9.872 1.00 1.00 C ATOM 238 O GLY A 14 -1.509 16.191 9.845 1.00 1.00 O ATOM 0 H GLY A 14 -1.698 14.183 8.496 1.00 1.00 H new ATOM 0 HA2 GLY A 14 -3.680 15.739 7.977 1.00 1.00 H new ATOM 0 HA3 GLY A 14 -4.443 14.919 9.324 1.00 1.00 H new ATOM 242 N GLU A 15 -3.498 16.789 10.727 1.00 1.00 N ATOM 243 CA GLU A 15 -2.923 17.700 11.706 1.00 1.00 C ATOM 244 C GLU A 15 -3.768 17.700 12.972 1.00 1.00 C ATOM 245 O GLU A 15 -4.950 17.355 12.941 1.00 1.00 O ATOM 246 CB GLU A 15 -2.860 19.131 11.140 1.00 1.00 C ATOM 247 CG GLU A 15 -1.790 19.239 10.029 1.00 1.00 C ATOM 248 CD GLU A 15 -2.380 18.945 8.652 1.00 1.00 C ATOM 249 OE1 GLU A 15 -3.536 18.562 8.588 1.00 1.00 O ATOM 250 OE2 GLU A 15 -1.662 19.106 7.679 1.00 1.00 O ATOM 0 H GLU A 15 -4.516 16.728 10.757 1.00 1.00 H new ATOM 0 HA GLU A 15 -1.913 17.363 11.937 1.00 1.00 H new ATOM 0 HB2 GLU A 15 -3.835 19.411 10.740 1.00 1.00 H new ATOM 0 HB3 GLU A 15 -2.630 19.833 11.941 1.00 1.00 H new ATOM 0 HG2 GLU A 15 -1.358 20.240 10.035 1.00 1.00 H new ATOM 0 HG3 GLU A 15 -0.979 18.541 10.235 1.00 1.00 H new ATOM 257 N THR A 16 -3.160 18.078 14.082 1.00 1.00 N ATOM 258 CA THR A 16 -3.859 18.111 15.366 1.00 1.00 C ATOM 259 C THR A 16 -3.324 19.269 16.216 1.00 1.00 C ATOM 260 O THR A 16 -2.163 19.648 16.083 1.00 1.00 O ATOM 261 CB THR A 16 -3.680 16.738 16.052 1.00 1.00 C ATOM 262 OG1 THR A 16 -4.743 15.889 15.648 1.00 1.00 O ATOM 263 CG2 THR A 16 -3.687 16.864 17.573 1.00 1.00 C ATOM 0 H THR A 16 -2.183 18.368 14.126 1.00 1.00 H new ATOM 0 HA THR A 16 -4.926 18.287 15.230 1.00 1.00 H new ATOM 0 HB THR A 16 -2.716 16.325 15.755 1.00 1.00 H new ATOM 0 HG1 THR A 16 -4.504 14.956 15.829 1.00 1.00 H new ATOM 0 HG21 THR A 16 -3.559 15.878 18.020 1.00 1.00 H new ATOM 0 HG22 THR A 16 -2.871 17.514 17.888 1.00 1.00 H new ATOM 0 HG23 THR A 16 -4.636 17.289 17.898 1.00 1.00 H new ATOM 271 N THR A 17 -4.177 19.838 17.081 1.00 1.00 N ATOM 272 CA THR A 17 -3.765 20.964 17.934 1.00 1.00 C ATOM 273 C THR A 17 -4.131 20.728 19.395 1.00 1.00 C ATOM 274 O THR A 17 -5.193 20.188 19.707 1.00 1.00 O ATOM 275 CB THR A 17 -4.434 22.261 17.464 1.00 1.00 C ATOM 276 OG1 THR A 17 -5.822 22.024 17.270 1.00 1.00 O ATOM 277 CG2 THR A 17 -3.811 22.730 16.154 1.00 1.00 C ATOM 0 H THR A 17 -5.145 19.542 17.208 1.00 1.00 H new ATOM 0 HA THR A 17 -2.681 21.048 17.852 1.00 1.00 H new ATOM 0 HB THR A 17 -4.290 23.034 18.219 1.00 1.00 H new ATOM 0 HG1 THR A 17 -6.256 22.850 16.971 1.00 1.00 H new ATOM 0 HG21 THR A 17 -4.295 23.652 15.831 1.00 1.00 H new ATOM 0 HG22 THR A 17 -2.746 22.911 16.302 1.00 1.00 H new ATOM 0 HG23 THR A 17 -3.946 21.963 15.392 1.00 1.00 H new ATOM 285 N THR A 18 -3.241 21.161 20.288 1.00 1.00 N ATOM 286 CA THR A 18 -3.461 21.020 21.722 1.00 1.00 C ATOM 287 C THR A 18 -2.818 22.185 22.453 1.00 1.00 C ATOM 288 O THR A 18 -1.802 22.721 22.002 1.00 1.00 O ATOM 289 CB THR A 18 -2.873 19.700 22.232 1.00 1.00 C ATOM 290 OG1 THR A 18 -3.579 19.302 23.399 1.00 1.00 O ATOM 291 CG2 THR A 18 -1.382 19.851 22.572 1.00 1.00 C ATOM 0 H THR A 18 -2.361 21.613 20.040 1.00 1.00 H new ATOM 0 HA THR A 18 -4.534 21.017 21.912 1.00 1.00 H new ATOM 0 HB THR A 18 -2.972 18.949 21.448 1.00 1.00 H new ATOM 0 HG1 THR A 18 -3.721 18.333 23.381 1.00 1.00 H new ATOM 0 HG21 THR A 18 -0.992 18.898 22.931 1.00 1.00 H new ATOM 0 HG22 THR A 18 -0.834 20.154 21.680 1.00 1.00 H new ATOM 0 HG23 THR A 18 -1.260 20.608 23.347 1.00 1.00 H new ATOM 299 N GLU A 19 -3.382 22.566 23.588 1.00 1.00 N ATOM 300 CA GLU A 19 -2.813 23.652 24.367 1.00 1.00 C ATOM 301 C GLU A 19 -2.066 23.057 25.552 1.00 1.00 C ATOM 302 O GLU A 19 -2.536 22.112 26.186 1.00 1.00 O ATOM 303 CB GLU A 19 -3.917 24.620 24.816 1.00 1.00 C ATOM 304 CG GLU A 19 -3.353 26.040 24.899 1.00 1.00 C ATOM 305 CD GLU A 19 -4.469 27.019 25.243 1.00 1.00 C ATOM 306 OE1 GLU A 19 -5.573 26.565 25.489 1.00 1.00 O ATOM 307 OE2 GLU A 19 -4.202 28.209 25.254 1.00 1.00 O ATOM 0 H GLU A 19 -4.222 22.146 23.986 1.00 1.00 H new ATOM 0 HA GLU A 19 -2.112 24.227 23.762 1.00 1.00 H new ATOM 0 HB2 GLU A 19 -4.749 24.589 24.113 1.00 1.00 H new ATOM 0 HB3 GLU A 19 -4.308 24.316 25.787 1.00 1.00 H new ATOM 0 HG2 GLU A 19 -2.570 26.086 25.656 1.00 1.00 H new ATOM 0 HG3 GLU A 19 -2.895 26.315 23.949 1.00 1.00 H new ATOM 314 N ALA A 20 -0.876 23.580 25.803 1.00 1.00 N ATOM 315 CA ALA A 20 -0.022 23.066 26.872 1.00 1.00 C ATOM 316 C ALA A 20 0.697 24.197 27.594 1.00 1.00 C ATOM 317 O ALA A 20 0.807 25.314 27.088 1.00 1.00 O ATOM 318 CB ALA A 20 0.996 22.079 26.262 1.00 1.00 C ATOM 0 H ALA A 20 -0.476 24.361 25.283 1.00 1.00 H new ATOM 0 HA ALA A 20 -0.640 22.552 27.608 1.00 1.00 H new ATOM 0 HB1 ALA A 20 1.640 21.688 27.049 1.00 1.00 H new ATOM 0 HB2 ALA A 20 0.464 21.256 25.786 1.00 1.00 H new ATOM 0 HB3 ALA A 20 1.604 22.596 25.519 1.00 1.00 H new ATOM 324 N VAL A 21 1.214 23.885 28.768 1.00 1.00 N ATOM 325 CA VAL A 21 1.960 24.859 29.535 1.00 1.00 C ATOM 326 C VAL A 21 3.273 25.130 28.826 1.00 1.00 C ATOM 327 O VAL A 21 3.734 26.267 28.743 1.00 1.00 O ATOM 328 CB VAL A 21 2.241 24.327 30.938 1.00 1.00 C ATOM 329 CG1 VAL A 21 2.942 22.971 30.856 1.00 1.00 C ATOM 330 CG2 VAL A 21 3.145 25.310 31.681 1.00 1.00 C ATOM 0 H VAL A 21 1.130 22.968 29.208 1.00 1.00 H new ATOM 0 HA VAL A 21 1.378 25.777 29.621 1.00 1.00 H new ATOM 0 HB VAL A 21 1.296 24.213 31.469 1.00 1.00 H new ATOM 0 HG11 VAL A 21 3.138 22.601 31.862 1.00 1.00 H new ATOM 0 HG12 VAL A 21 2.304 22.263 30.327 1.00 1.00 H new ATOM 0 HG13 VAL A 21 3.885 23.081 30.320 1.00 1.00 H new ATOM 0 HG21 VAL A 21 3.347 24.932 32.683 1.00 1.00 H new ATOM 0 HG22 VAL A 21 4.084 25.422 31.139 1.00 1.00 H new ATOM 0 HG23 VAL A 21 2.649 26.278 31.751 1.00 1.00 H new ATOM 340 N ASP A 22 3.867 24.064 28.322 1.00 1.00 N ATOM 341 CA ASP A 22 5.143 24.155 27.620 1.00 1.00 C ATOM 342 C ASP A 22 5.269 23.008 26.623 1.00 1.00 C ATOM 343 O ASP A 22 4.339 22.218 26.448 1.00 1.00 O ATOM 344 CB ASP A 22 6.285 24.071 28.639 1.00 1.00 C ATOM 345 CG ASP A 22 6.248 22.729 29.366 1.00 1.00 C ATOM 346 OD1 ASP A 22 5.524 21.853 28.925 1.00 1.00 O ATOM 347 OD2 ASP A 22 6.957 22.593 30.350 1.00 1.00 O ATOM 0 H ASP A 22 3.488 23.119 28.384 1.00 1.00 H new ATOM 0 HA ASP A 22 5.194 25.103 27.084 1.00 1.00 H new ATOM 0 HB2 ASP A 22 7.243 24.192 28.133 1.00 1.00 H new ATOM 0 HB3 ASP A 22 6.200 24.885 29.359 1.00 1.00 H new ATOM 352 N ALA A 23 6.427 22.917 25.986 1.00 1.00 N ATOM 353 CA ALA A 23 6.702 21.863 25.018 1.00 1.00 C ATOM 354 C ALA A 23 6.852 20.517 25.711 1.00 1.00 C ATOM 355 O ALA A 23 6.415 19.493 25.195 1.00 1.00 O ATOM 356 CB ALA A 23 7.995 22.204 24.277 1.00 1.00 C ATOM 0 H ALA A 23 7.200 23.568 26.124 1.00 1.00 H new ATOM 0 HA ALA A 23 5.869 21.795 24.318 1.00 1.00 H new ATOM 0 HB1 ALA A 23 8.214 21.423 23.549 1.00 1.00 H new ATOM 0 HB2 ALA A 23 7.879 23.158 23.763 1.00 1.00 H new ATOM 0 HB3 ALA A 23 8.816 22.274 24.991 1.00 1.00 H new ATOM 362 N ALA A 24 7.457 20.535 26.896 1.00 1.00 N ATOM 363 CA ALA A 24 7.647 19.309 27.660 1.00 1.00 C ATOM 364 C ALA A 24 6.309 18.609 27.858 1.00 1.00 C ATOM 365 O ALA A 24 6.238 17.384 27.935 1.00 1.00 O ATOM 366 CB ALA A 24 8.254 19.618 29.034 1.00 1.00 C ATOM 0 H ALA A 24 7.820 21.377 27.343 1.00 1.00 H new ATOM 0 HA ALA A 24 8.326 18.663 27.104 1.00 1.00 H new ATOM 0 HB1 ALA A 24 8.388 18.690 29.590 1.00 1.00 H new ATOM 0 HB2 ALA A 24 9.220 20.106 28.904 1.00 1.00 H new ATOM 0 HB3 ALA A 24 7.586 20.278 29.587 1.00 1.00 H new ATOM 372 N THR A 25 5.252 19.408 27.955 1.00 1.00 N ATOM 373 CA THR A 25 3.915 18.893 28.171 1.00 1.00 C ATOM 374 C THR A 25 3.248 18.535 26.844 1.00 1.00 C ATOM 375 O THR A 25 2.739 17.428 26.676 1.00 1.00 O ATOM 376 CB THR A 25 3.112 19.960 28.912 1.00 1.00 C ATOM 377 OG1 THR A 25 3.915 20.484 29.960 1.00 1.00 O ATOM 378 CG2 THR A 25 1.845 19.350 29.489 1.00 1.00 C ATOM 0 H THR A 25 5.302 20.424 27.886 1.00 1.00 H new ATOM 0 HA THR A 25 3.959 17.980 28.764 1.00 1.00 H new ATOM 0 HB THR A 25 2.831 20.757 28.223 1.00 1.00 H new ATOM 0 HG1 THR A 25 4.456 21.226 29.618 1.00 1.00 H new ATOM 0 HG21 THR A 25 1.279 20.118 30.016 1.00 1.00 H new ATOM 0 HG22 THR A 25 1.238 18.941 28.682 1.00 1.00 H new ATOM 0 HG23 THR A 25 2.109 18.553 30.184 1.00 1.00 H new ATOM 386 N ALA A 26 3.224 19.477 25.914 1.00 1.00 N ATOM 387 CA ALA A 26 2.586 19.235 24.623 1.00 1.00 C ATOM 388 C ALA A 26 3.189 18.010 23.923 1.00 1.00 C ATOM 389 O ALA A 26 2.486 17.280 23.228 1.00 1.00 O ATOM 390 CB ALA A 26 2.753 20.466 23.715 1.00 1.00 C ATOM 0 H ALA A 26 3.632 20.405 26.023 1.00 1.00 H new ATOM 0 HA ALA A 26 1.528 19.046 24.806 1.00 1.00 H new ATOM 0 HB1 ALA A 26 2.274 20.277 22.754 1.00 1.00 H new ATOM 0 HB2 ALA A 26 2.289 21.332 24.187 1.00 1.00 H new ATOM 0 HB3 ALA A 26 3.814 20.662 23.559 1.00 1.00 H new ATOM 396 N GLU A 27 4.492 17.810 24.090 1.00 1.00 N ATOM 397 CA GLU A 27 5.164 16.685 23.435 1.00 1.00 C ATOM 398 C GLU A 27 4.565 15.348 23.870 1.00 1.00 C ATOM 399 O GLU A 27 4.314 14.478 23.040 1.00 1.00 O ATOM 400 CB GLU A 27 6.695 16.713 23.697 1.00 1.00 C ATOM 401 CG GLU A 27 7.091 15.955 24.980 1.00 1.00 C ATOM 402 CD GLU A 27 8.589 16.111 25.245 1.00 1.00 C ATOM 403 OE1 GLU A 27 9.345 16.100 24.286 1.00 1.00 O ATOM 404 OE2 GLU A 27 8.956 16.233 26.401 1.00 1.00 O ATOM 0 H GLU A 27 5.098 18.398 24.662 1.00 1.00 H new ATOM 0 HA GLU A 27 5.003 16.791 22.362 1.00 1.00 H new ATOM 0 HB2 GLU A 27 7.214 16.274 22.845 1.00 1.00 H new ATOM 0 HB3 GLU A 27 7.028 17.748 23.774 1.00 1.00 H new ATOM 0 HG2 GLU A 27 6.523 16.338 25.827 1.00 1.00 H new ATOM 0 HG3 GLU A 27 6.840 14.899 24.879 1.00 1.00 H new ATOM 411 N LYS A 28 4.358 15.182 25.169 1.00 1.00 N ATOM 412 CA LYS A 28 3.817 13.930 25.683 1.00 1.00 C ATOM 413 C LYS A 28 2.352 13.768 25.294 1.00 1.00 C ATOM 414 O LYS A 28 1.865 12.651 25.130 1.00 1.00 O ATOM 415 CB LYS A 28 3.980 13.878 27.202 1.00 1.00 C ATOM 416 CG LYS A 28 5.445 13.574 27.553 1.00 1.00 C ATOM 417 CD LYS A 28 5.660 13.646 29.076 1.00 1.00 C ATOM 418 CE LYS A 28 5.917 15.099 29.513 1.00 1.00 C ATOM 419 NZ LYS A 28 6.012 15.166 31.015 1.00 1.00 N ATOM 0 H LYS A 28 4.553 15.888 25.879 1.00 1.00 H new ATOM 0 HA LYS A 28 4.373 13.104 25.239 1.00 1.00 H new ATOM 0 HB2 LYS A 28 3.680 14.829 27.643 1.00 1.00 H new ATOM 0 HB3 LYS A 28 3.328 13.112 27.622 1.00 1.00 H new ATOM 0 HG2 LYS A 28 5.715 12.583 27.188 1.00 1.00 H new ATOM 0 HG3 LYS A 28 6.101 14.287 27.053 1.00 1.00 H new ATOM 0 HD2 LYS A 28 4.784 13.254 29.592 1.00 1.00 H new ATOM 0 HD3 LYS A 28 6.505 13.019 29.361 1.00 1.00 H new ATOM 0 HE2 LYS A 28 6.839 15.467 29.063 1.00 1.00 H new ATOM 0 HE3 LYS A 28 5.112 15.743 29.160 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 6.186 16.149 31.308 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 5.121 14.832 31.434 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 6.795 14.564 31.341 1.00 1.00 H new ATOM 433 N VAL A 29 1.651 14.885 25.162 1.00 1.00 N ATOM 434 CA VAL A 29 0.233 14.854 24.811 1.00 1.00 C ATOM 435 C VAL A 29 0.054 14.411 23.363 1.00 1.00 C ATOM 436 O VAL A 29 -0.827 13.608 23.056 1.00 1.00 O ATOM 437 CB VAL A 29 -0.388 16.236 25.011 1.00 1.00 C ATOM 438 CG1 VAL A 29 -1.832 16.250 24.505 1.00 1.00 C ATOM 439 CG2 VAL A 29 -0.372 16.584 26.502 1.00 1.00 C ATOM 0 H VAL A 29 2.036 15.821 25.291 1.00 1.00 H new ATOM 0 HA VAL A 29 -0.270 14.139 25.462 1.00 1.00 H new ATOM 0 HB VAL A 29 0.190 16.969 24.449 1.00 1.00 H new ATOM 0 HG11 VAL A 29 -2.260 17.241 24.654 1.00 1.00 H new ATOM 0 HG12 VAL A 29 -1.848 16.004 23.443 1.00 1.00 H new ATOM 0 HG13 VAL A 29 -2.418 15.515 25.056 1.00 1.00 H new ATOM 0 HG21 VAL A 29 -0.814 17.569 26.650 1.00 1.00 H new ATOM 0 HG22 VAL A 29 -0.947 15.841 27.055 1.00 1.00 H new ATOM 0 HG23 VAL A 29 0.656 16.590 26.863 1.00 1.00 H new ATOM 449 N PHE A 30 0.878 14.932 22.468 1.00 1.00 N ATOM 450 CA PHE A 30 0.764 14.562 21.063 1.00 1.00 C ATOM 451 C PHE A 30 1.164 13.111 20.854 1.00 1.00 C ATOM 452 O PHE A 30 0.537 12.385 20.082 1.00 1.00 O ATOM 453 CB PHE A 30 1.678 15.427 20.207 1.00 1.00 C ATOM 454 CG PHE A 30 1.157 16.853 20.104 1.00 1.00 C ATOM 455 CD1 PHE A 30 -0.153 17.116 19.672 1.00 1.00 C ATOM 456 CD2 PHE A 30 2.012 17.924 20.405 1.00 1.00 C ATOM 457 CE1 PHE A 30 -0.598 18.435 19.548 1.00 1.00 C ATOM 458 CE2 PHE A 30 1.564 19.237 20.267 1.00 1.00 C ATOM 459 CZ PHE A 30 0.256 19.489 19.838 1.00 1.00 C ATOM 0 H PHE A 30 1.620 15.599 22.681 1.00 1.00 H new ATOM 0 HA PHE A 30 -0.276 14.708 20.771 1.00 1.00 H new ATOM 0 HB2 PHE A 30 2.680 15.434 20.635 1.00 1.00 H new ATOM 0 HB3 PHE A 30 1.761 14.995 19.210 1.00 1.00 H new ATOM 0 HD1 PHE A 30 -0.817 16.298 19.435 1.00 1.00 H new ATOM 0 HD2 PHE A 30 3.019 17.731 20.744 1.00 1.00 H new ATOM 0 HE1 PHE A 30 -1.609 18.634 19.226 1.00 1.00 H new ATOM 0 HE2 PHE A 30 2.227 20.060 20.491 1.00 1.00 H new ATOM 0 HZ PHE A 30 -0.089 20.507 19.732 1.00 1.00 H new ATOM 469 N LYS A 31 2.206 12.697 21.541 1.00 1.00 N ATOM 470 CA LYS A 31 2.682 11.336 21.428 1.00 1.00 C ATOM 471 C LYS A 31 1.621 10.401 21.969 1.00 1.00 C ATOM 472 O LYS A 31 1.385 9.331 21.419 1.00 1.00 O ATOM 473 CB LYS A 31 3.997 11.205 22.190 1.00 1.00 C ATOM 474 CG LYS A 31 5.065 12.013 21.440 1.00 1.00 C ATOM 475 CD LYS A 31 6.330 12.072 22.287 1.00 1.00 C ATOM 476 CE LYS A 31 7.333 13.020 21.628 1.00 1.00 C ATOM 477 NZ LYS A 31 8.496 13.209 22.527 1.00 1.00 N ATOM 0 H LYS A 31 2.740 13.283 22.183 1.00 1.00 H new ATOM 0 HA LYS A 31 2.869 11.071 20.387 1.00 1.00 H new ATOM 0 HB2 LYS A 31 3.885 11.576 23.209 1.00 1.00 H new ATOM 0 HB3 LYS A 31 4.292 10.158 22.262 1.00 1.00 H new ATOM 0 HG2 LYS A 31 5.279 11.551 20.476 1.00 1.00 H new ATOM 0 HG3 LYS A 31 4.701 13.020 21.237 1.00 1.00 H new ATOM 0 HD2 LYS A 31 6.092 12.417 23.293 1.00 1.00 H new ATOM 0 HD3 LYS A 31 6.763 11.076 22.385 1.00 1.00 H new ATOM 0 HE2 LYS A 31 7.661 12.612 20.672 1.00 1.00 H new ATOM 0 HE3 LYS A 31 6.860 13.980 21.420 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 9.179 13.854 22.080 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 8.175 13.616 23.429 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 8.951 12.291 22.704 1.00 1.00 H new ATOM 491 N GLN A 32 0.932 10.843 23.023 1.00 1.00 N ATOM 492 CA GLN A 32 -0.152 10.053 23.573 1.00 1.00 C ATOM 493 C GLN A 32 -1.219 9.877 22.515 1.00 1.00 C ATOM 494 O GLN A 32 -1.750 8.787 22.326 1.00 1.00 O ATOM 495 CB GLN A 32 -0.792 10.698 24.796 1.00 1.00 C ATOM 496 CG GLN A 32 -2.006 9.848 25.214 1.00 1.00 C ATOM 497 CD GLN A 32 -2.446 10.232 26.618 1.00 1.00 C ATOM 498 OE1 GLN A 32 -1.832 11.210 27.237 1.00 1.00 O flip ATOM 499 NE2 GLN A 32 -3.359 9.623 27.175 1.00 1.00 N flip ATOM 0 H GLN A 32 1.106 11.728 23.500 1.00 1.00 H new ATOM 0 HA GLN A 32 0.271 9.098 23.883 1.00 1.00 H new ATOM 0 HB2 GLN A 32 -0.073 10.759 25.613 1.00 1.00 H new ATOM 0 HB3 GLN A 32 -1.103 11.717 24.568 1.00 1.00 H new ATOM 0 HG2 GLN A 32 -2.826 9.999 24.512 1.00 1.00 H new ATOM 0 HG3 GLN A 32 -1.749 8.789 25.181 1.00 1.00 H new ATOM 0 HE21 GLN A 32 -3.835 8.862 26.690 1.00 1.00 H new ATOM 0 HE22 GLN A 32 -3.640 9.879 28.122 1.00 1.00 H new ATOM 508 N TYR A 33 -1.546 10.977 21.852 1.00 1.00 N ATOM 509 CA TYR A 33 -2.559 10.971 20.821 1.00 1.00 C ATOM 510 C TYR A 33 -2.135 10.002 19.726 1.00 1.00 C ATOM 511 O TYR A 33 -2.896 9.121 19.323 1.00 1.00 O ATOM 512 CB TYR A 33 -2.689 12.416 20.295 1.00 1.00 C ATOM 513 CG TYR A 33 -3.128 12.450 18.853 1.00 1.00 C ATOM 514 CD1 TYR A 33 -2.166 12.375 17.844 1.00 1.00 C ATOM 515 CD2 TYR A 33 -4.477 12.564 18.527 1.00 1.00 C ATOM 516 CE1 TYR A 33 -2.554 12.408 16.504 1.00 1.00 C ATOM 517 CE2 TYR A 33 -4.870 12.601 17.181 1.00 1.00 C ATOM 518 CZ TYR A 33 -3.906 12.524 16.171 1.00 1.00 C ATOM 519 OH TYR A 33 -4.293 12.540 14.845 1.00 1.00 O ATOM 0 H TYR A 33 -1.118 11.888 22.016 1.00 1.00 H new ATOM 0 HA TYR A 33 -3.528 10.642 21.196 1.00 1.00 H new ATOM 0 HB2 TYR A 33 -3.407 12.962 20.907 1.00 1.00 H new ATOM 0 HB3 TYR A 33 -1.731 12.927 20.395 1.00 1.00 H new ATOM 0 HD1 TYR A 33 -1.120 12.291 18.101 1.00 1.00 H new ATOM 0 HD2 TYR A 33 -5.219 12.624 19.309 1.00 1.00 H new ATOM 0 HE1 TYR A 33 -1.809 12.344 15.724 1.00 1.00 H new ATOM 0 HE2 TYR A 33 -5.916 12.689 16.925 1.00 1.00 H new ATOM 0 HH TYR A 33 -5.268 12.625 14.790 1.00 1.00 H new ATOM 529 N ALA A 34 -0.909 10.156 19.262 1.00 1.00 N ATOM 530 CA ALA A 34 -0.399 9.272 18.237 1.00 1.00 C ATOM 531 C ALA A 34 -0.373 7.828 18.761 1.00 1.00 C ATOM 532 O ALA A 34 -0.739 6.896 18.053 1.00 1.00 O ATOM 533 CB ALA A 34 1.006 9.726 17.824 1.00 1.00 C ATOM 0 H ALA A 34 -0.257 10.875 19.575 1.00 1.00 H new ATOM 0 HA ALA A 34 -1.049 9.309 17.363 1.00 1.00 H new ATOM 0 HB1 ALA A 34 1.391 9.060 17.052 1.00 1.00 H new ATOM 0 HB2 ALA A 34 0.960 10.744 17.436 1.00 1.00 H new ATOM 0 HB3 ALA A 34 1.667 9.697 18.690 1.00 1.00 H new ATOM 539 N ASN A 35 0.075 7.666 20.009 1.00 1.00 N ATOM 540 CA ASN A 35 0.156 6.346 20.620 1.00 1.00 C ATOM 541 C ASN A 35 -1.240 5.777 20.792 1.00 1.00 C ATOM 542 O ASN A 35 -1.477 4.602 20.512 1.00 1.00 O ATOM 543 CB ASN A 35 0.866 6.404 21.985 1.00 1.00 C ATOM 544 CG ASN A 35 2.388 6.508 21.813 1.00 1.00 C ATOM 545 OD1 ASN A 35 2.913 6.413 20.621 1.00 1.00 O flip ATOM 546 ND2 ASN A 35 3.115 6.688 22.794 1.00 1.00 N flip ATOM 0 H ASN A 35 0.384 8.430 20.609 1.00 1.00 H new ATOM 0 HA ASN A 35 0.739 5.701 19.962 1.00 1.00 H new ATOM 0 HB2 ASN A 35 0.502 7.261 22.552 1.00 1.00 H new ATOM 0 HB3 ASN A 35 0.622 5.513 22.563 1.00 1.00 H new ATOM 0 HD21 ASN A 35 2.706 6.762 23.725 1.00 1.00 H new ATOM 0 HD22 ASN A 35 4.125 6.762 22.673 1.00 1.00 H new ATOM 553 N ASP A 36 -2.176 6.606 21.241 1.00 1.00 N ATOM 554 CA ASP A 36 -3.524 6.121 21.407 1.00 1.00 C ATOM 555 C ASP A 36 -4.083 5.857 20.021 1.00 1.00 C ATOM 556 O ASP A 36 -5.034 5.091 19.865 1.00 1.00 O ATOM 557 CB ASP A 36 -4.390 7.139 22.143 1.00 1.00 C ATOM 558 CG ASP A 36 -3.901 7.266 23.577 1.00 1.00 C ATOM 559 OD1 ASP A 36 -3.166 6.398 24.009 1.00 1.00 O ATOM 560 OD2 ASP A 36 -4.252 8.245 24.210 1.00 1.00 O ATOM 0 H ASP A 36 -2.026 7.584 21.487 1.00 1.00 H new ATOM 0 HA ASP A 36 -3.523 5.211 22.006 1.00 1.00 H new ATOM 0 HB2 ASP A 36 -4.341 8.106 21.642 1.00 1.00 H new ATOM 0 HB3 ASP A 36 -5.434 6.825 22.128 1.00 1.00 H new ATOM 565 N ASN A 37 -3.492 6.514 19.007 1.00 1.00 N ATOM 566 CA ASN A 37 -3.979 6.329 17.632 1.00 1.00 C ATOM 567 C ASN A 37 -3.101 5.329 16.881 1.00 1.00 C ATOM 568 O ASN A 37 -3.213 5.178 15.667 1.00 1.00 O ATOM 569 CB ASN A 37 -3.958 7.667 16.889 1.00 1.00 C ATOM 570 CG ASN A 37 -5.098 8.552 17.384 1.00 1.00 C ATOM 571 OD1 ASN A 37 -6.017 8.059 18.041 1.00 1.00 O ATOM 572 ND2 ASN A 37 -5.115 9.826 17.092 1.00 1.00 N ATOM 0 H ASN A 37 -2.705 7.155 19.107 1.00 1.00 H new ATOM 0 HA ASN A 37 -4.998 5.946 17.678 1.00 1.00 H new ATOM 0 HB2 ASN A 37 -3.002 8.167 17.048 1.00 1.00 H new ATOM 0 HB3 ASN A 37 -4.055 7.499 15.816 1.00 1.00 H new ATOM 0 HD21 ASN A 37 -5.888 10.411 17.408 1.00 1.00 H new ATOM 0 HD22 ASN A 37 -4.355 10.235 16.548 1.00 1.00 H new ATOM 579 N GLY A 38 -2.280 4.598 17.626 1.00 1.00 N ATOM 580 CA GLY A 38 -1.443 3.552 17.038 1.00 1.00 C ATOM 581 C GLY A 38 -0.398 4.083 16.057 1.00 1.00 C ATOM 582 O GLY A 38 -0.008 3.359 15.139 1.00 1.00 O ATOM 0 H GLY A 38 -2.174 4.707 18.635 1.00 1.00 H new ATOM 0 HA2 GLY A 38 -0.937 3.011 17.838 1.00 1.00 H new ATOM 0 HA3 GLY A 38 -2.081 2.834 16.523 1.00 1.00 H new ATOM 586 N VAL A 39 0.070 5.326 16.201 1.00 1.00 N ATOM 587 CA VAL A 39 1.073 5.843 15.267 1.00 1.00 C ATOM 588 C VAL A 39 2.483 5.597 15.813 1.00 1.00 C ATOM 589 O VAL A 39 2.773 5.921 16.964 1.00 1.00 O ATOM 590 CB VAL A 39 0.874 7.346 15.081 1.00 1.00 C ATOM 591 CG1 VAL A 39 1.635 7.833 13.850 1.00 1.00 C ATOM 592 CG2 VAL A 39 -0.606 7.675 14.910 1.00 1.00 C ATOM 0 H VAL A 39 -0.219 5.976 16.932 1.00 1.00 H new ATOM 0 HA VAL A 39 0.958 5.328 14.313 1.00 1.00 H new ATOM 0 HB VAL A 39 1.255 7.848 15.970 1.00 1.00 H new ATOM 0 HG11 VAL A 39 1.484 8.906 13.730 1.00 1.00 H new ATOM 0 HG12 VAL A 39 2.698 7.628 13.975 1.00 1.00 H new ATOM 0 HG13 VAL A 39 1.267 7.313 12.965 1.00 1.00 H new ATOM 0 HG21 VAL A 39 -0.727 8.750 14.779 1.00 1.00 H new ATOM 0 HG22 VAL A 39 -0.995 7.157 14.034 1.00 1.00 H new ATOM 0 HG23 VAL A 39 -1.155 7.353 15.795 1.00 1.00 H new ATOM 602 N ASP A 40 3.368 5.060 14.969 1.00 1.00 N ATOM 603 CA ASP A 40 4.755 4.818 15.359 1.00 1.00 C ATOM 604 C ASP A 40 5.658 5.352 14.255 1.00 1.00 C ATOM 605 O ASP A 40 5.677 4.795 13.154 1.00 1.00 O ATOM 606 CB ASP A 40 5.002 3.313 15.544 1.00 1.00 C ATOM 607 CG ASP A 40 6.386 3.066 16.143 1.00 1.00 C ATOM 608 OD1 ASP A 40 7.164 4.006 16.193 1.00 1.00 O ATOM 609 OD2 ASP A 40 6.655 1.936 16.520 1.00 1.00 O ATOM 0 H ASP A 40 3.146 4.785 14.012 1.00 1.00 H new ATOM 0 HA ASP A 40 4.967 5.320 16.303 1.00 1.00 H new ATOM 0 HB2 ASP A 40 4.237 2.891 16.195 1.00 1.00 H new ATOM 0 HB3 ASP A 40 4.919 2.804 14.584 1.00 1.00 H new ATOM 614 N GLY A 41 6.397 6.424 14.515 1.00 1.00 N ATOM 615 CA GLY A 41 7.258 6.979 13.479 1.00 1.00 C ATOM 616 C GLY A 41 8.428 7.747 14.066 1.00 1.00 C ATOM 617 O GLY A 41 8.885 7.455 15.173 1.00 1.00 O ATOM 0 H GLY A 41 6.419 6.915 15.409 1.00 1.00 H new ATOM 0 HA2 GLY A 41 7.633 6.173 12.848 1.00 1.00 H new ATOM 0 HA3 GLY A 41 6.675 7.640 12.838 1.00 1.00 H new ATOM 621 N GLU A 42 8.892 8.746 13.321 1.00 1.00 N ATOM 622 CA GLU A 42 9.987 9.578 13.763 1.00 1.00 C ATOM 623 C GLU A 42 9.395 10.892 14.220 1.00 1.00 C ATOM 624 O GLU A 42 8.464 11.390 13.608 1.00 1.00 O ATOM 625 CB GLU A 42 10.958 9.816 12.612 1.00 1.00 C ATOM 626 CG GLU A 42 11.610 8.485 12.227 1.00 1.00 C ATOM 627 CD GLU A 42 12.503 8.687 11.008 1.00 1.00 C ATOM 628 OE1 GLU A 42 12.590 9.818 10.555 1.00 1.00 O ATOM 629 OE2 GLU A 42 13.085 7.721 10.551 1.00 1.00 O ATOM 0 H GLU A 42 8.519 8.993 12.405 1.00 1.00 H new ATOM 0 HA GLU A 42 10.535 9.098 14.574 1.00 1.00 H new ATOM 0 HB2 GLU A 42 10.431 10.239 11.756 1.00 1.00 H new ATOM 0 HB3 GLU A 42 11.720 10.538 12.906 1.00 1.00 H new ATOM 0 HG2 GLU A 42 12.197 8.101 13.061 1.00 1.00 H new ATOM 0 HG3 GLU A 42 10.843 7.742 12.009 1.00 1.00 H new ATOM 636 N TRP A 43 9.895 11.401 15.327 1.00 1.00 N ATOM 637 CA TRP A 43 9.371 12.625 15.931 1.00 1.00 C ATOM 638 C TRP A 43 10.381 13.740 15.982 1.00 1.00 C ATOM 639 O TRP A 43 11.563 13.540 16.260 1.00 1.00 O ATOM 640 CB TRP A 43 8.960 12.321 17.363 1.00 1.00 C ATOM 641 CG TRP A 43 7.688 11.575 17.362 1.00 1.00 C ATOM 642 CD1 TRP A 43 7.567 10.236 17.198 1.00 1.00 C ATOM 643 CD2 TRP A 43 6.352 12.088 17.553 1.00 1.00 C ATOM 644 NE1 TRP A 43 6.227 9.900 17.254 1.00 1.00 N ATOM 645 CE2 TRP A 43 5.445 11.014 17.486 1.00 1.00 C ATOM 646 CE3 TRP A 43 5.847 13.380 17.775 1.00 1.00 C ATOM 647 CZ2 TRP A 43 4.080 11.210 17.633 1.00 1.00 C ATOM 648 CZ3 TRP A 43 4.470 13.583 17.922 1.00 1.00 C ATOM 649 CH2 TRP A 43 3.585 12.498 17.853 1.00 1.00 C ATOM 0 H TRP A 43 10.674 10.985 15.838 1.00 1.00 H new ATOM 0 HA TRP A 43 8.535 12.951 15.312 1.00 1.00 H new ATOM 0 HB2 TRP A 43 9.736 11.738 17.859 1.00 1.00 H new ATOM 0 HB3 TRP A 43 8.850 13.248 17.926 1.00 1.00 H new ATOM 0 HD1 TRP A 43 8.383 9.545 17.048 1.00 1.00 H new ATOM 0 HE1 TRP A 43 5.864 8.954 17.139 1.00 1.00 H new ATOM 0 HE3 TRP A 43 6.524 14.220 17.832 1.00 1.00 H new ATOM 0 HZ2 TRP A 43 3.403 10.371 17.578 1.00 1.00 H new ATOM 0 HZ3 TRP A 43 4.088 14.579 18.089 1.00 1.00 H new ATOM 0 HH2 TRP A 43 2.523 12.657 17.970 1.00 1.00 H new ATOM 660 N THR A 44 9.870 14.931 15.734 1.00 1.00 N ATOM 661 CA THR A 44 10.664 16.140 15.756 1.00 1.00 C ATOM 662 C THR A 44 9.841 17.279 16.353 1.00 1.00 C ATOM 663 O THR A 44 8.612 17.238 16.322 1.00 1.00 O ATOM 664 CB THR A 44 11.019 16.491 14.324 1.00 1.00 C ATOM 665 OG1 THR A 44 11.539 17.814 14.277 1.00 1.00 O ATOM 666 CG2 THR A 44 9.749 16.377 13.482 1.00 1.00 C ATOM 0 H THR A 44 8.887 15.085 15.511 1.00 1.00 H new ATOM 0 HA THR A 44 11.563 15.991 16.354 1.00 1.00 H new ATOM 0 HB THR A 44 11.778 15.814 13.933 1.00 1.00 H new ATOM 0 HG1 THR A 44 11.771 18.042 13.352 1.00 1.00 H new ATOM 0 HG21 THR A 44 9.976 16.625 12.445 1.00 1.00 H new ATOM 0 HG22 THR A 44 9.367 15.358 13.536 1.00 1.00 H new ATOM 0 HG23 THR A 44 8.996 17.067 13.863 1.00 1.00 H new ATOM 674 N TYR A 45 10.505 18.318 16.860 1.00 1.00 N ATOM 675 CA TYR A 45 9.785 19.462 17.422 1.00 1.00 C ATOM 676 C TYR A 45 10.481 20.775 17.099 1.00 1.00 C ATOM 677 O TYR A 45 11.704 20.882 17.171 1.00 1.00 O ATOM 678 CB TYR A 45 9.685 19.320 18.944 1.00 1.00 C ATOM 679 CG TYR A 45 9.080 20.580 19.551 1.00 1.00 C ATOM 680 CD1 TYR A 45 7.812 21.022 19.144 1.00 1.00 C ATOM 681 CD2 TYR A 45 9.797 21.310 20.509 1.00 1.00 C ATOM 682 CE1 TYR A 45 7.263 22.183 19.700 1.00 1.00 C ATOM 683 CE2 TYR A 45 9.246 22.471 21.062 1.00 1.00 C ATOM 684 CZ TYR A 45 7.981 22.907 20.659 1.00 1.00 C ATOM 685 OH TYR A 45 7.444 24.049 21.218 1.00 1.00 O ATOM 0 H TYR A 45 11.522 18.392 16.894 1.00 1.00 H new ATOM 0 HA TYR A 45 8.791 19.474 16.975 1.00 1.00 H new ATOM 0 HB2 TYR A 45 9.071 18.455 19.196 1.00 1.00 H new ATOM 0 HB3 TYR A 45 10.674 19.143 19.366 1.00 1.00 H new ATOM 0 HD1 TYR A 45 7.259 20.466 18.401 1.00 1.00 H new ATOM 0 HD2 TYR A 45 10.776 20.976 20.821 1.00 1.00 H new ATOM 0 HE1 TYR A 45 6.285 22.520 19.389 1.00 1.00 H new ATOM 0 HE2 TYR A 45 9.799 23.031 21.801 1.00 1.00 H new ATOM 0 HH TYR A 45 8.076 24.425 21.866 1.00 1.00 H new ATOM 695 N ASP A 46 9.669 21.783 16.779 1.00 1.00 N ATOM 696 CA ASP A 46 10.168 23.122 16.495 1.00 1.00 C ATOM 697 C ASP A 46 9.552 24.093 17.505 1.00 1.00 C ATOM 698 O ASP A 46 8.329 24.226 17.579 1.00 1.00 O ATOM 699 CB ASP A 46 9.790 23.561 15.077 1.00 1.00 C ATOM 700 CG ASP A 46 10.346 24.960 14.828 1.00 1.00 C ATOM 701 OD1 ASP A 46 10.844 25.552 15.773 1.00 1.00 O ATOM 702 OD2 ASP A 46 10.265 25.420 13.704 1.00 1.00 O ATOM 0 H ASP A 46 8.655 21.692 16.711 1.00 1.00 H new ATOM 0 HA ASP A 46 11.255 23.120 16.573 1.00 1.00 H new ATOM 0 HB2 ASP A 46 10.192 22.860 14.346 1.00 1.00 H new ATOM 0 HB3 ASP A 46 8.707 23.559 14.958 1.00 1.00 H new ATOM 707 N ASP A 47 10.403 24.745 18.300 1.00 1.00 N ATOM 708 CA ASP A 47 9.927 25.668 19.325 1.00 1.00 C ATOM 709 C ASP A 47 9.638 27.050 18.741 1.00 1.00 C ATOM 710 O ASP A 47 8.903 27.837 19.335 1.00 1.00 O ATOM 711 CB ASP A 47 10.999 25.809 20.414 1.00 1.00 C ATOM 712 CG ASP A 47 10.668 26.990 21.327 1.00 1.00 C ATOM 713 OD1 ASP A 47 9.642 26.933 21.985 1.00 1.00 O ATOM 714 OD2 ASP A 47 11.441 27.934 21.349 1.00 1.00 O ATOM 0 H ASP A 47 11.417 24.650 18.253 1.00 1.00 H new ATOM 0 HA ASP A 47 9.003 25.266 19.740 1.00 1.00 H new ATOM 0 HB2 ASP A 47 11.056 24.891 21.000 1.00 1.00 H new ATOM 0 HB3 ASP A 47 11.977 25.956 19.956 1.00 1.00 H new ATOM 719 N ALA A 48 10.238 27.356 17.601 1.00 1.00 N ATOM 720 CA ALA A 48 10.036 28.669 17.012 1.00 1.00 C ATOM 721 C ALA A 48 8.691 28.732 16.296 1.00 1.00 C ATOM 722 O ALA A 48 8.145 29.816 16.082 1.00 1.00 O ATOM 723 CB ALA A 48 11.135 28.944 15.996 1.00 1.00 C ATOM 0 H ALA A 48 10.852 26.732 17.078 1.00 1.00 H new ATOM 0 HA ALA A 48 10.059 29.412 17.810 1.00 1.00 H new ATOM 0 HB1 ALA A 48 10.984 29.929 15.554 1.00 1.00 H new ATOM 0 HB2 ALA A 48 12.105 28.914 16.492 1.00 1.00 H new ATOM 0 HB3 ALA A 48 11.105 28.186 15.213 1.00 1.00 H new ATOM 729 N THR A 49 8.167 27.565 15.923 1.00 1.00 N ATOM 730 CA THR A 49 6.885 27.479 15.221 1.00 1.00 C ATOM 731 C THR A 49 5.857 26.749 16.078 1.00 1.00 C ATOM 732 O THR A 49 4.673 26.719 15.740 1.00 1.00 O ATOM 733 CB THR A 49 7.057 26.735 13.886 1.00 1.00 C ATOM 734 OG1 THR A 49 7.837 25.566 14.094 1.00 1.00 O ATOM 735 CG2 THR A 49 7.760 27.637 12.862 1.00 1.00 C ATOM 0 H THR A 49 8.611 26.663 16.095 1.00 1.00 H new ATOM 0 HA THR A 49 6.534 28.492 15.026 1.00 1.00 H new ATOM 0 HB THR A 49 6.073 26.462 13.504 1.00 1.00 H new ATOM 0 HG1 THR A 49 8.611 25.578 13.493 1.00 1.00 H new ATOM 0 HG21 THR A 49 7.876 27.098 11.921 1.00 1.00 H new ATOM 0 HG22 THR A 49 7.162 28.533 12.696 1.00 1.00 H new ATOM 0 HG23 THR A 49 8.742 27.921 13.241 1.00 1.00 H new ATOM 743 N LYS A 50 6.309 26.146 17.181 1.00 1.00 N ATOM 744 CA LYS A 50 5.406 25.416 18.055 1.00 1.00 C ATOM 745 C LYS A 50 4.694 24.323 17.275 1.00 1.00 C ATOM 746 O LYS A 50 3.480 24.162 17.392 1.00 1.00 O ATOM 747 CB LYS A 50 4.360 26.366 18.635 1.00 1.00 C ATOM 748 CG LYS A 50 5.038 27.594 19.242 1.00 1.00 C ATOM 749 CD LYS A 50 5.970 27.157 20.380 1.00 1.00 C ATOM 750 CE LYS A 50 6.289 28.350 21.286 1.00 1.00 C ATOM 751 NZ LYS A 50 6.915 27.859 22.542 1.00 1.00 N ATOM 0 H LYS A 50 7.284 26.152 17.482 1.00 1.00 H new ATOM 0 HA LYS A 50 5.990 24.972 18.861 1.00 1.00 H new ATOM 0 HB2 LYS A 50 3.666 26.675 17.853 1.00 1.00 H new ATOM 0 HB3 LYS A 50 3.774 25.852 19.397 1.00 1.00 H new ATOM 0 HG2 LYS A 50 5.605 28.124 18.477 1.00 1.00 H new ATOM 0 HG3 LYS A 50 4.287 28.287 19.620 1.00 1.00 H new ATOM 0 HD2 LYS A 50 5.500 26.364 20.962 1.00 1.00 H new ATOM 0 HD3 LYS A 50 6.892 26.746 19.968 1.00 1.00 H new ATOM 0 HE2 LYS A 50 6.962 29.039 20.776 1.00 1.00 H new ATOM 0 HE3 LYS A 50 5.378 28.903 21.512 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 7.241 28.669 23.107 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 6.217 27.314 23.088 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 7.726 27.250 22.311 1.00 1.00 H new ATOM 765 N THR A 51 5.450 23.590 16.461 1.00 1.00 N ATOM 766 CA THR A 51 4.871 22.525 15.636 1.00 1.00 C ATOM 767 C THR A 51 5.599 21.194 15.849 1.00 1.00 C ATOM 768 O THR A 51 6.824 21.124 15.733 1.00 1.00 O ATOM 769 CB THR A 51 4.979 22.909 14.157 1.00 1.00 C ATOM 770 OG1 THR A 51 4.313 24.142 13.927 1.00 1.00 O ATOM 771 CG2 THR A 51 4.337 21.820 13.297 1.00 1.00 C ATOM 0 H THR A 51 6.457 23.710 16.353 1.00 1.00 H new ATOM 0 HA THR A 51 3.828 22.405 15.929 1.00 1.00 H new ATOM 0 HB THR A 51 6.031 23.013 13.893 1.00 1.00 H new ATOM 0 HG1 THR A 51 4.387 24.382 12.980 1.00 1.00 H new ATOM 0 HG21 THR A 51 4.414 22.094 12.245 1.00 1.00 H new ATOM 0 HG22 THR A 51 4.852 20.874 13.464 1.00 1.00 H new ATOM 0 HG23 THR A 51 3.287 21.714 13.568 1.00 1.00 H new ATOM 779 N PHE A 52 4.835 20.124 16.118 1.00 1.00 N ATOM 780 CA PHE A 52 5.414 18.803 16.290 1.00 1.00 C ATOM 781 C PHE A 52 5.071 17.993 15.063 1.00 1.00 C ATOM 782 O PHE A 52 4.046 18.245 14.444 1.00 1.00 O ATOM 783 CB PHE A 52 4.787 18.121 17.510 1.00 1.00 C ATOM 784 CG PHE A 52 5.330 18.695 18.794 1.00 1.00 C ATOM 785 CD1 PHE A 52 4.729 19.819 19.377 1.00 1.00 C ATOM 786 CD2 PHE A 52 6.422 18.083 19.418 1.00 1.00 C ATOM 787 CE1 PHE A 52 5.226 20.326 20.586 1.00 1.00 C ATOM 788 CE2 PHE A 52 6.912 18.586 20.626 1.00 1.00 C ATOM 789 CZ PHE A 52 6.317 19.707 21.211 1.00 1.00 C ATOM 0 H PHE A 52 3.821 20.158 16.219 1.00 1.00 H new ATOM 0 HA PHE A 52 6.492 18.878 16.430 1.00 1.00 H new ATOM 0 HB2 PHE A 52 3.704 18.244 17.483 1.00 1.00 H new ATOM 0 HB3 PHE A 52 4.987 17.050 17.474 1.00 1.00 H new ATOM 0 HD1 PHE A 52 3.886 20.293 18.897 1.00 1.00 H new ATOM 0 HD2 PHE A 52 6.887 17.220 18.965 1.00 1.00 H new ATOM 0 HE1 PHE A 52 4.768 21.194 21.036 1.00 1.00 H new ATOM 0 HE2 PHE A 52 7.752 18.108 21.108 1.00 1.00 H new ATOM 0 HZ PHE A 52 6.698 20.096 22.144 1.00 1.00 H new ATOM 799 N THR A 53 5.891 17.021 14.701 1.00 1.00 N ATOM 800 CA THR A 53 5.561 16.193 13.547 1.00 1.00 C ATOM 801 C THR A 53 5.937 14.753 13.823 1.00 1.00 C ATOM 802 O THR A 53 6.978 14.486 14.432 1.00 1.00 O ATOM 803 CB THR A 53 6.280 16.675 12.275 1.00 1.00 C ATOM 804 OG1 THR A 53 7.564 16.083 12.208 1.00 1.00 O ATOM 805 CG2 THR A 53 6.421 18.200 12.280 1.00 1.00 C ATOM 0 H THR A 53 6.766 16.788 15.171 1.00 1.00 H new ATOM 0 HA THR A 53 4.487 16.273 13.379 1.00 1.00 H new ATOM 0 HB THR A 53 5.690 16.382 11.407 1.00 1.00 H new ATOM 0 HG1 THR A 53 8.023 16.388 11.397 1.00 1.00 H new ATOM 0 HG21 THR A 53 6.932 18.521 11.372 1.00 1.00 H new ATOM 0 HG22 THR A 53 5.432 18.657 12.321 1.00 1.00 H new ATOM 0 HG23 THR A 53 6.999 18.509 13.151 1.00 1.00 H new ATOM 813 N VAL A 54 5.141 13.817 13.303 1.00 1.00 N ATOM 814 CA VAL A 54 5.462 12.406 13.435 1.00 1.00 C ATOM 815 C VAL A 54 5.299 11.760 12.072 1.00 1.00 C ATOM 816 O VAL A 54 4.347 12.050 11.348 1.00 1.00 O ATOM 817 CB VAL A 54 4.578 11.738 14.477 1.00 1.00 C ATOM 818 CG1 VAL A 54 3.125 11.809 14.046 1.00 1.00 C ATOM 819 CG2 VAL A 54 4.995 10.272 14.651 1.00 1.00 C ATOM 0 H VAL A 54 4.280 14.013 12.793 1.00 1.00 H new ATOM 0 HA VAL A 54 6.489 12.286 13.779 1.00 1.00 H new ATOM 0 HB VAL A 54 4.694 12.259 15.427 1.00 1.00 H new ATOM 0 HG11 VAL A 54 2.499 11.328 14.798 1.00 1.00 H new ATOM 0 HG12 VAL A 54 2.828 12.852 13.939 1.00 1.00 H new ATOM 0 HG13 VAL A 54 3.003 11.297 13.091 1.00 1.00 H new ATOM 0 HG21 VAL A 54 4.358 9.799 15.399 1.00 1.00 H new ATOM 0 HG22 VAL A 54 4.890 9.748 13.701 1.00 1.00 H new ATOM 0 HG23 VAL A 54 6.034 10.226 14.977 1.00 1.00 H new ATOM 829 N THR A 55 6.253 10.918 11.708 1.00 1.00 N ATOM 830 CA THR A 55 6.231 10.273 10.405 1.00 1.00 C ATOM 831 C THR A 55 6.599 8.801 10.502 1.00 1.00 C ATOM 832 O THR A 55 7.674 8.449 10.984 1.00 1.00 O ATOM 833 CB THR A 55 7.219 10.991 9.499 1.00 1.00 C ATOM 834 OG1 THR A 55 6.874 12.366 9.411 1.00 1.00 O ATOM 835 CG2 THR A 55 7.184 10.363 8.112 1.00 1.00 C ATOM 0 H THR A 55 7.049 10.666 12.294 1.00 1.00 H new ATOM 0 HA THR A 55 5.221 10.331 9.999 1.00 1.00 H new ATOM 0 HB THR A 55 8.223 10.899 9.912 1.00 1.00 H new ATOM 0 HG1 THR A 55 7.513 12.827 8.828 1.00 1.00 H new ATOM 0 HG21 THR A 55 7.892 10.877 7.462 1.00 1.00 H new ATOM 0 HG22 THR A 55 7.455 9.310 8.183 1.00 1.00 H new ATOM 0 HG23 THR A 55 6.180 10.452 7.697 1.00 1.00 H new ATOM 843 N GLU A 56 5.700 7.949 10.020 1.00 1.00 N ATOM 844 CA GLU A 56 5.917 6.511 10.034 1.00 1.00 C ATOM 845 C GLU A 56 6.456 6.031 8.689 1.00 1.00 C ATOM 846 O GLU A 56 5.861 6.365 7.677 1.00 1.00 O ATOM 847 CB GLU A 56 4.594 5.813 10.325 1.00 1.00 C ATOM 848 CG GLU A 56 3.854 6.547 11.436 1.00 1.00 C ATOM 849 CD GLU A 56 2.514 5.867 11.673 1.00 1.00 C ATOM 850 OE1 GLU A 56 1.563 6.210 10.991 1.00 1.00 O ATOM 851 OE2 GLU A 56 2.459 5.007 12.536 1.00 1.00 O ATOM 852 OXT GLU A 56 7.459 5.336 8.693 1.00 1.00 O ATOM 0 H GLU A 56 4.809 8.234 9.613 1.00 1.00 H new ATOM 0 HA GLU A 56 6.649 6.273 10.805 1.00 1.00 H new ATOM 0 HB2 GLU A 56 3.981 5.786 9.424 1.00 1.00 H new ATOM 0 HB3 GLU A 56 4.775 4.779 10.618 1.00 1.00 H new ATOM 0 HG2 GLU A 56 4.446 6.540 12.351 1.00 1.00 H new ATOM 0 HG3 GLU A 56 3.703 7.591 11.162 1.00 1.00 H new TER 859 GLU A 56