USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 826 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 40 CYS SG : rot -75:sc= 0.709 USER MOD Set 1.2: A 43 TYR OH : rot -33:sc= 2 USER MOD Set 1.3: A 65 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 39 LYS NZ :NH3+ -110:sc= -1.06 (180deg=-3.1!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -27:sc= -0.625 USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0662 USER MOD Single : A 17 GLN : amide:sc= -0.743 X(o=-0.74,f=-0.31) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -173:sc= 0.0543 (180deg=0.0448) USER MOD Single : A 21 ASN : amide:sc= -0.055 X(o=-0.055,f=0) USER MOD Single : A 25 THR OG1 : rot -9:sc= 0.802 USER MOD Single : A 37 ASN : amide:sc= -0.592 K(o=-0.59,f=-1.5) USER MOD Single : A 41 SER OG : rot 180:sc= -0.533 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -170:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -1.19 K(o=-1.2,f=-1.8) USER MOD Single : A 70 SER OG : rot 180:sc= 0.00368 USER MOD Single : A 74 THR OG1 : rot 83:sc= 1.16 USER MOD Single : A 75 ASN : amide:sc= -0.424 K(o=-0.42,f=-1.3!) USER MOD Single : A 76 MET CE :methyl -161:sc= -0.839 (180deg=-1.46) USER MOD Single : A 84 SER OG : rot 180:sc= 0.0445 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= -0.578 USER MOD Single : A 98 ASN :FLIP amide:sc= -1.31 F(o=-2.5,f=-1.3) USER MOD Single : A 100 SER OG : rot -171:sc= -0.606 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl -117:sc= -5.34! (180deg=-11.3!) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 CYS SG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot -97:sc= 0.692 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N ILE A 3 17.191 5.513 -6.533 1.00 0.00 N ATOM 26 CA ILE A 3 17.947 5.016 -7.676 1.00 0.00 C ATOM 27 C ILE A 3 18.567 3.655 -7.376 1.00 0.00 C ATOM 28 O ILE A 3 18.607 3.219 -6.225 1.00 0.00 O ATOM 29 CB ILE A 3 19.063 5.997 -8.081 1.00 0.00 C ATOM 30 CG1 ILE A 3 18.618 7.440 -7.835 1.00 0.00 C ATOM 31 CG2 ILE A 3 19.441 5.796 -9.541 1.00 0.00 C ATOM 32 CD1 ILE A 3 19.668 8.467 -8.196 1.00 0.00 C ATOM 0 HA ILE A 3 17.242 4.917 -8.502 1.00 0.00 H new ATOM 0 HB ILE A 3 19.941 5.798 -7.467 1.00 0.00 H new ATOM 0 HG12 ILE A 3 17.715 7.637 -8.413 1.00 0.00 H new ATOM 0 HG13 ILE A 3 18.355 7.556 -6.784 1.00 0.00 H new ATOM 0 HG21 ILE A 3 20.231 6.497 -9.812 1.00 0.00 H new ATOM 0 HG22 ILE A 3 19.795 4.776 -9.688 1.00 0.00 H new ATOM 0 HG23 ILE A 3 18.568 5.972 -10.170 1.00 0.00 H new ATOM 0 HD11 ILE A 3 19.283 9.467 -7.996 1.00 0.00 H new ATOM 0 HD12 ILE A 3 20.564 8.297 -7.599 1.00 0.00 H new ATOM 0 HD13 ILE A 3 19.915 8.379 -9.254 1.00 0.00 H new ATOM 44 N LYS A 4 19.050 2.989 -8.419 1.00 0.00 N ATOM 45 CA LYS A 4 19.671 1.678 -8.269 1.00 0.00 C ATOM 46 C LYS A 4 20.950 1.773 -7.443 1.00 0.00 C ATOM 47 O LYS A 4 21.513 0.759 -7.033 1.00 0.00 O ATOM 48 CB LYS A 4 19.981 1.078 -9.642 1.00 0.00 C ATOM 49 CG LYS A 4 21.404 1.332 -10.110 1.00 0.00 C ATOM 50 CD LYS A 4 21.485 1.419 -11.624 1.00 0.00 C ATOM 51 CE LYS A 4 20.880 0.190 -12.286 1.00 0.00 C ATOM 52 NZ LYS A 4 21.619 -0.195 -13.521 1.00 0.00 N ATOM 0 H LYS A 4 19.023 3.336 -9.378 1.00 0.00 H new ATOM 0 HA LYS A 4 18.969 1.029 -7.746 1.00 0.00 H new ATOM 0 HB2 LYS A 4 19.805 0.003 -9.607 1.00 0.00 H new ATOM 0 HB3 LYS A 4 19.287 1.491 -10.375 1.00 0.00 H new ATOM 0 HG2 LYS A 4 21.772 2.259 -9.671 1.00 0.00 H new ATOM 0 HG3 LYS A 4 22.053 0.531 -9.755 1.00 0.00 H new ATOM 0 HD2 LYS A 4 20.963 2.312 -11.967 1.00 0.00 H new ATOM 0 HD3 LYS A 4 22.527 1.522 -11.928 1.00 0.00 H new ATOM 0 HE2 LYS A 4 20.889 -0.643 -11.583 1.00 0.00 H new ATOM 0 HE3 LYS A 4 19.837 0.387 -12.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 21.176 -1.036 -13.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 21.589 0.590 -14.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 22.608 -0.408 -13.281 1.00 0.00 H new ATOM 66 N GLY A 5 21.403 3.000 -7.201 1.00 0.00 N ATOM 67 CA GLY A 5 22.612 3.204 -6.424 1.00 0.00 C ATOM 68 C GLY A 5 23.635 4.051 -7.155 1.00 0.00 C ATOM 69 O GLY A 5 23.732 5.257 -6.927 1.00 0.00 O ATOM 0 H GLY A 5 20.955 3.855 -7.529 1.00 0.00 H new ATOM 0 HA2 GLY A 5 22.356 3.683 -5.479 1.00 0.00 H new ATOM 0 HA3 GLY A 5 23.052 2.237 -6.182 1.00 0.00 H new ATOM 73 N VAL A 6 24.402 3.418 -8.037 1.00 0.00 N ATOM 74 CA VAL A 6 25.424 4.121 -8.804 1.00 0.00 C ATOM 75 C VAL A 6 24.860 4.647 -10.119 1.00 0.00 C ATOM 76 O VAL A 6 25.329 4.285 -11.199 1.00 0.00 O ATOM 77 CB VAL A 6 26.628 3.208 -9.104 1.00 0.00 C ATOM 78 CG1 VAL A 6 27.780 4.015 -9.683 1.00 0.00 C ATOM 79 CG2 VAL A 6 27.062 2.470 -7.847 1.00 0.00 C ATOM 0 H VAL A 6 24.335 2.420 -8.238 1.00 0.00 H new ATOM 0 HA VAL A 6 25.757 4.960 -8.193 1.00 0.00 H new ATOM 0 HB VAL A 6 26.325 2.469 -9.846 1.00 0.00 H new ATOM 0 HG11 VAL A 6 28.621 3.353 -9.888 1.00 0.00 H new ATOM 0 HG12 VAL A 6 27.460 4.493 -10.609 1.00 0.00 H new ATOM 0 HG13 VAL A 6 28.085 4.778 -8.967 1.00 0.00 H new ATOM 0 HG21 VAL A 6 27.914 1.830 -8.077 1.00 0.00 H new ATOM 0 HG22 VAL A 6 27.347 3.192 -7.081 1.00 0.00 H new ATOM 0 HG23 VAL A 6 26.237 1.859 -7.481 1.00 0.00 H new ATOM 89 N THR A 7 23.849 5.505 -10.022 1.00 0.00 N ATOM 90 CA THR A 7 23.219 6.081 -11.203 1.00 0.00 C ATOM 91 C THR A 7 22.413 7.325 -10.845 1.00 0.00 C ATOM 92 O THR A 7 21.828 7.408 -9.764 1.00 0.00 O ATOM 93 CB THR A 7 22.292 5.066 -11.897 1.00 0.00 C ATOM 94 OG1 THR A 7 22.977 3.822 -12.080 1.00 0.00 O ATOM 95 CG2 THR A 7 21.823 5.594 -13.244 1.00 0.00 C ATOM 0 H THR A 7 23.449 5.816 -9.137 1.00 0.00 H new ATOM 0 HA THR A 7 24.022 6.356 -11.887 1.00 0.00 H new ATOM 0 HB THR A 7 21.420 4.911 -11.261 1.00 0.00 H new ATOM 0 HG1 THR A 7 23.941 3.985 -12.140 1.00 0.00 H new ATOM 0 HG21 THR A 7 21.170 4.860 -13.715 1.00 0.00 H new ATOM 0 HG22 THR A 7 21.277 6.526 -13.099 1.00 0.00 H new ATOM 0 HG23 THR A 7 22.686 5.775 -13.884 1.00 0.00 H new ATOM 103 N PHE A 8 22.386 8.290 -11.758 1.00 0.00 N ATOM 104 CA PHE A 8 21.652 9.530 -11.538 1.00 0.00 C ATOM 105 C PHE A 8 21.681 10.408 -12.786 1.00 0.00 C ATOM 106 O PHE A 8 22.747 10.711 -13.320 1.00 0.00 O ATOM 107 CB PHE A 8 22.242 10.293 -10.350 1.00 0.00 C ATOM 108 CG PHE A 8 23.649 10.766 -10.580 1.00 0.00 C ATOM 109 CD1 PHE A 8 24.719 9.899 -10.429 1.00 0.00 C ATOM 110 CD2 PHE A 8 23.901 12.078 -10.949 1.00 0.00 C ATOM 111 CE1 PHE A 8 26.014 10.332 -10.639 1.00 0.00 C ATOM 112 CE2 PHE A 8 25.195 12.516 -11.161 1.00 0.00 C ATOM 113 CZ PHE A 8 26.253 11.642 -11.007 1.00 0.00 C ATOM 0 H PHE A 8 22.864 8.237 -12.657 1.00 0.00 H new ATOM 0 HA PHE A 8 20.615 9.275 -11.318 1.00 0.00 H new ATOM 0 HB2 PHE A 8 21.609 11.153 -10.131 1.00 0.00 H new ATOM 0 HB3 PHE A 8 22.223 9.650 -9.470 1.00 0.00 H new ATOM 0 HD1 PHE A 8 24.539 8.873 -10.144 1.00 0.00 H new ATOM 0 HD2 PHE A 8 23.077 12.766 -11.072 1.00 0.00 H new ATOM 0 HE1 PHE A 8 26.839 9.647 -10.516 1.00 0.00 H new ATOM 0 HE2 PHE A 8 25.378 13.541 -11.447 1.00 0.00 H new ATOM 0 HZ PHE A 8 27.265 11.982 -11.174 1.00 0.00 H new ATOM 123 N GLY A 9 20.501 10.814 -13.245 1.00 0.00 N ATOM 124 CA GLY A 9 20.413 11.652 -14.426 1.00 0.00 C ATOM 125 C GLY A 9 21.224 11.107 -15.585 1.00 0.00 C ATOM 126 O GLY A 9 21.783 11.871 -16.371 1.00 0.00 O ATOM 0 H GLY A 9 19.605 10.577 -12.820 1.00 0.00 H new ATOM 0 HA2 GLY A 9 19.369 11.742 -14.727 1.00 0.00 H new ATOM 0 HA3 GLY A 9 20.762 12.656 -14.183 1.00 0.00 H new ATOM 130 N GLU A 10 21.288 9.784 -15.690 1.00 0.00 N ATOM 131 CA GLU A 10 22.039 9.139 -16.761 1.00 0.00 C ATOM 132 C GLU A 10 21.215 9.078 -18.043 1.00 0.00 C ATOM 133 O GLU A 10 21.686 9.458 -19.115 1.00 0.00 O ATOM 134 CB GLU A 10 22.458 7.728 -16.342 1.00 0.00 C ATOM 135 CG GLU A 10 23.635 7.702 -15.382 1.00 0.00 C ATOM 136 CD GLU A 10 24.957 7.970 -16.073 1.00 0.00 C ATOM 137 OE1 GLU A 10 25.526 7.022 -16.654 1.00 0.00 O ATOM 138 OE2 GLU A 10 25.424 9.128 -16.034 1.00 0.00 O ATOM 0 H GLU A 10 20.830 9.138 -15.047 1.00 0.00 H new ATOM 0 HA GLU A 10 22.932 9.733 -16.953 1.00 0.00 H new ATOM 0 HB2 GLU A 10 21.608 7.229 -15.875 1.00 0.00 H new ATOM 0 HB3 GLU A 10 22.714 7.155 -17.233 1.00 0.00 H new ATOM 0 HG2 GLU A 10 23.479 8.447 -14.602 1.00 0.00 H new ATOM 0 HG3 GLU A 10 23.677 6.730 -14.890 1.00 0.00 H new ATOM 145 N ASP A 11 19.983 8.596 -17.925 1.00 0.00 N ATOM 146 CA ASP A 11 19.092 8.484 -19.074 1.00 0.00 C ATOM 147 C ASP A 11 17.701 9.013 -18.736 1.00 0.00 C ATOM 148 O ASP A 11 17.273 10.044 -19.256 1.00 0.00 O ATOM 149 CB ASP A 11 18.999 7.029 -19.536 1.00 0.00 C ATOM 150 CG ASP A 11 18.800 6.909 -21.034 1.00 0.00 C ATOM 151 OD1 ASP A 11 19.802 6.995 -21.775 1.00 0.00 O ATOM 152 OD2 ASP A 11 17.642 6.727 -21.465 1.00 0.00 O ATOM 0 H ASP A 11 19.578 8.276 -17.045 1.00 0.00 H new ATOM 0 HA ASP A 11 19.505 9.087 -19.882 1.00 0.00 H new ATOM 0 HB2 ASP A 11 19.909 6.501 -19.250 1.00 0.00 H new ATOM 0 HB3 ASP A 11 18.172 6.540 -19.022 1.00 0.00 H new ATOM 157 N THR A 12 16.998 8.299 -17.862 1.00 0.00 N ATOM 158 CA THR A 12 15.655 8.694 -17.457 1.00 0.00 C ATOM 159 C THR A 12 15.110 7.763 -16.380 1.00 0.00 C ATOM 160 O THR A 12 15.774 6.810 -15.975 1.00 0.00 O ATOM 161 CB THR A 12 14.686 8.700 -18.654 1.00 0.00 C ATOM 162 OG1 THR A 12 13.460 9.343 -18.288 1.00 0.00 O ATOM 163 CG2 THR A 12 14.399 7.282 -19.125 1.00 0.00 C ATOM 0 H THR A 12 17.337 7.444 -17.421 1.00 0.00 H new ATOM 0 HA THR A 12 15.730 9.705 -17.056 1.00 0.00 H new ATOM 0 HB THR A 12 15.155 9.249 -19.470 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.850 9.344 -19.055 1.00 0.00 H new ATOM 0 HG21 THR A 12 13.712 7.312 -19.971 1.00 0.00 H new ATOM 0 HG22 THR A 12 15.330 6.804 -19.430 1.00 0.00 H new ATOM 0 HG23 THR A 12 13.949 6.713 -18.312 1.00 0.00 H new ATOM 171 N VAL A 13 13.895 8.045 -15.920 1.00 0.00 N ATOM 172 CA VAL A 13 13.259 7.232 -14.891 1.00 0.00 C ATOM 173 C VAL A 13 12.511 6.054 -15.506 1.00 0.00 C ATOM 174 O VAL A 13 12.221 6.046 -16.702 1.00 0.00 O ATOM 175 CB VAL A 13 12.277 8.064 -14.045 1.00 0.00 C ATOM 176 CG1 VAL A 13 12.100 7.443 -12.667 1.00 0.00 C ATOM 177 CG2 VAL A 13 12.758 9.503 -13.932 1.00 0.00 C ATOM 0 H VAL A 13 13.332 8.831 -16.244 1.00 0.00 H new ATOM 0 HA VAL A 13 14.055 6.858 -14.247 1.00 0.00 H new ATOM 0 HB VAL A 13 11.308 8.067 -14.543 1.00 0.00 H new ATOM 0 HG11 VAL A 13 11.403 8.045 -12.084 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.707 6.432 -12.771 1.00 0.00 H new ATOM 0 HG13 VAL A 13 13.063 7.407 -12.158 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.052 10.076 -13.331 1.00 0.00 H new ATOM 0 HG22 VAL A 13 13.739 9.523 -13.457 1.00 0.00 H new ATOM 0 HG23 VAL A 13 12.828 9.942 -14.927 1.00 0.00 H new ATOM 187 N TRP A 14 12.202 5.061 -14.680 1.00 0.00 N ATOM 188 CA TRP A 14 11.486 3.877 -15.142 1.00 0.00 C ATOM 189 C TRP A 14 12.293 3.133 -16.200 1.00 0.00 C ATOM 190 O TRP A 14 11.751 2.317 -16.946 1.00 0.00 O ATOM 191 CB TRP A 14 10.120 4.270 -15.708 1.00 0.00 C ATOM 192 CG TRP A 14 9.158 4.743 -14.660 1.00 0.00 C ATOM 193 CD1 TRP A 14 9.241 5.895 -13.931 1.00 0.00 C ATOM 194 CD2 TRP A 14 7.969 4.075 -14.225 1.00 0.00 C ATOM 195 NE1 TRP A 14 8.175 5.983 -13.068 1.00 0.00 N ATOM 196 CE2 TRP A 14 7.380 4.880 -13.230 1.00 0.00 C ATOM 197 CE3 TRP A 14 7.343 2.877 -14.580 1.00 0.00 C ATOM 198 CZ2 TRP A 14 6.197 4.522 -12.587 1.00 0.00 C ATOM 199 CZ3 TRP A 14 6.169 2.524 -13.942 1.00 0.00 C ATOM 200 CH2 TRP A 14 5.606 3.344 -12.955 1.00 0.00 C ATOM 0 H TRP A 14 12.436 5.052 -13.687 1.00 0.00 H new ATOM 0 HA TRP A 14 11.341 3.214 -14.289 1.00 0.00 H new ATOM 0 HB2 TRP A 14 10.255 5.057 -16.450 1.00 0.00 H new ATOM 0 HB3 TRP A 14 9.689 3.414 -16.227 1.00 0.00 H new ATOM 0 HD1 TRP A 14 10.028 6.629 -14.020 1.00 0.00 H new ATOM 0 HE1 TRP A 14 8.004 6.746 -12.413 1.00 0.00 H new ATOM 0 HE3 TRP A 14 7.769 2.238 -15.340 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 5.762 5.152 -11.825 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 5.677 1.600 -14.209 1.00 0.00 H new ATOM 0 HH2 TRP A 14 4.687 3.040 -12.475 1.00 0.00 H new ATOM 211 N GLU A 15 13.590 3.418 -16.259 1.00 0.00 N ATOM 212 CA GLU A 15 14.470 2.775 -17.228 1.00 0.00 C ATOM 213 C GLU A 15 15.794 2.379 -16.581 1.00 0.00 C ATOM 214 O GLU A 15 16.337 1.309 -16.855 1.00 0.00 O ATOM 215 CB GLU A 15 14.727 3.706 -18.414 1.00 0.00 C ATOM 216 CG GLU A 15 13.785 3.477 -19.584 1.00 0.00 C ATOM 217 CD GLU A 15 14.494 3.527 -20.923 1.00 0.00 C ATOM 218 OE1 GLU A 15 15.343 2.647 -21.177 1.00 0.00 O ATOM 219 OE2 GLU A 15 14.201 4.445 -21.716 1.00 0.00 O ATOM 0 H GLU A 15 14.054 4.089 -15.648 1.00 0.00 H new ATOM 0 HA GLU A 15 13.976 1.872 -17.586 1.00 0.00 H new ATOM 0 HB2 GLU A 15 14.634 4.739 -18.080 1.00 0.00 H new ATOM 0 HB3 GLU A 15 15.754 3.572 -18.754 1.00 0.00 H new ATOM 0 HG2 GLU A 15 13.300 2.508 -19.470 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.999 4.231 -19.565 1.00 0.00 H new ATOM 226 N VAL A 16 16.310 3.252 -15.721 1.00 0.00 N ATOM 227 CA VAL A 16 17.570 2.995 -15.034 1.00 0.00 C ATOM 228 C VAL A 16 17.406 3.114 -13.523 1.00 0.00 C ATOM 229 O VAL A 16 18.080 2.423 -12.759 1.00 0.00 O ATOM 230 CB VAL A 16 18.671 3.967 -15.498 1.00 0.00 C ATOM 231 CG1 VAL A 16 18.323 5.394 -15.106 1.00 0.00 C ATOM 232 CG2 VAL A 16 20.018 3.559 -14.922 1.00 0.00 C ATOM 0 H VAL A 16 15.875 4.143 -15.484 1.00 0.00 H new ATOM 0 HA VAL A 16 17.866 1.976 -15.286 1.00 0.00 H new ATOM 0 HB VAL A 16 18.738 3.921 -16.585 1.00 0.00 H new ATOM 0 HG11 VAL A 16 19.112 6.066 -15.442 1.00 0.00 H new ATOM 0 HG12 VAL A 16 17.380 5.680 -15.572 1.00 0.00 H new ATOM 0 HG13 VAL A 16 18.227 5.460 -14.022 1.00 0.00 H new ATOM 0 HG21 VAL A 16 20.785 4.256 -15.260 1.00 0.00 H new ATOM 0 HG22 VAL A 16 19.968 3.574 -13.833 1.00 0.00 H new ATOM 0 HG23 VAL A 16 20.268 2.553 -15.259 1.00 0.00 H new ATOM 242 N GLN A 17 16.506 3.996 -13.098 1.00 0.00 N ATOM 243 CA GLN A 17 16.254 4.206 -11.677 1.00 0.00 C ATOM 244 C GLN A 17 16.023 2.878 -10.963 1.00 0.00 C ATOM 245 O GLN A 17 16.597 2.622 -9.906 1.00 0.00 O ATOM 246 CB GLN A 17 15.044 5.121 -11.482 1.00 0.00 C ATOM 247 CG GLN A 17 14.330 4.910 -10.157 1.00 0.00 C ATOM 248 CD GLN A 17 13.310 5.993 -9.865 1.00 0.00 C ATOM 249 OE1 GLN A 17 13.656 7.075 -9.388 1.00 0.00 O ATOM 250 NE2 GLN A 17 12.045 5.709 -10.151 1.00 0.00 N ATOM 0 H GLN A 17 15.940 4.576 -13.717 1.00 0.00 H new ATOM 0 HA GLN A 17 17.134 4.682 -11.244 1.00 0.00 H new ATOM 0 HB2 GLN A 17 15.369 6.159 -11.549 1.00 0.00 H new ATOM 0 HB3 GLN A 17 14.338 4.955 -12.296 1.00 0.00 H new ATOM 0 HG2 GLN A 17 13.832 3.940 -10.167 1.00 0.00 H new ATOM 0 HG3 GLN A 17 15.065 4.882 -9.353 1.00 0.00 H new ATOM 0 HE21 GLN A 17 11.803 4.800 -10.545 1.00 0.00 H new ATOM 0 HE22 GLN A 17 11.315 6.400 -9.977 1.00 0.00 H new ATOM 259 N GLY A 18 15.178 2.035 -11.550 1.00 0.00 N ATOM 260 CA GLY A 18 14.886 0.744 -10.955 1.00 0.00 C ATOM 261 C GLY A 18 13.762 0.815 -9.940 1.00 0.00 C ATOM 262 O GLY A 18 13.787 0.116 -8.927 1.00 0.00 O ATOM 0 H GLY A 18 14.691 2.223 -12.426 1.00 0.00 H new ATOM 0 HA2 GLY A 18 14.618 0.037 -11.741 1.00 0.00 H new ATOM 0 HA3 GLY A 18 15.784 0.358 -10.472 1.00 0.00 H new ATOM 266 N TYR A 19 12.775 1.661 -10.211 1.00 0.00 N ATOM 267 CA TYR A 19 11.639 1.824 -9.311 1.00 0.00 C ATOM 268 C TYR A 19 10.400 2.281 -10.075 1.00 0.00 C ATOM 269 O TYR A 19 10.491 2.735 -11.215 1.00 0.00 O ATOM 270 CB TYR A 19 11.974 2.831 -8.210 1.00 0.00 C ATOM 271 CG TYR A 19 12.501 2.192 -6.945 1.00 0.00 C ATOM 272 CD1 TYR A 19 11.635 1.762 -5.947 1.00 0.00 C ATOM 273 CD2 TYR A 19 13.865 2.020 -6.746 1.00 0.00 C ATOM 274 CE1 TYR A 19 12.112 1.179 -4.789 1.00 0.00 C ATOM 275 CE2 TYR A 19 14.352 1.437 -5.593 1.00 0.00 C ATOM 276 CZ TYR A 19 13.471 1.018 -4.617 1.00 0.00 C ATOM 277 OH TYR A 19 13.951 0.437 -3.465 1.00 0.00 O ATOM 0 H TYR A 19 12.738 2.245 -11.047 1.00 0.00 H new ATOM 0 HA TYR A 19 11.427 0.857 -8.856 1.00 0.00 H new ATOM 0 HB2 TYR A 19 12.715 3.536 -8.587 1.00 0.00 H new ATOM 0 HB3 TYR A 19 11.080 3.406 -7.971 1.00 0.00 H new ATOM 0 HD1 TYR A 19 10.570 1.886 -6.079 1.00 0.00 H new ATOM 0 HD2 TYR A 19 14.557 2.348 -7.507 1.00 0.00 H new ATOM 0 HE1 TYR A 19 11.425 0.851 -4.023 1.00 0.00 H new ATOM 0 HE2 TYR A 19 15.416 1.310 -5.456 1.00 0.00 H new ATOM 0 HH TYR A 19 14.929 0.397 -3.502 1.00 0.00 H new ATOM 287 N LYS A 20 9.241 2.158 -9.436 1.00 0.00 N ATOM 288 CA LYS A 20 7.982 2.560 -10.052 1.00 0.00 C ATOM 289 C LYS A 20 7.091 3.282 -9.047 1.00 0.00 C ATOM 290 O LYS A 20 7.493 3.528 -7.911 1.00 0.00 O ATOM 291 CB LYS A 20 7.251 1.337 -10.611 1.00 0.00 C ATOM 292 CG LYS A 20 7.879 0.779 -11.877 1.00 0.00 C ATOM 293 CD LYS A 20 9.084 -0.092 -11.564 1.00 0.00 C ATOM 294 CE LYS A 20 9.047 -1.396 -12.345 1.00 0.00 C ATOM 295 NZ LYS A 20 8.479 -2.511 -11.537 1.00 0.00 N ATOM 0 H LYS A 20 9.148 1.783 -8.492 1.00 0.00 H new ATOM 0 HA LYS A 20 8.208 3.246 -10.869 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.232 0.556 -9.850 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.215 1.606 -10.817 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.139 0.195 -12.424 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.181 1.600 -12.527 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.999 0.451 -11.803 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.111 -0.307 -10.496 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.451 -1.262 -13.248 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.056 -1.657 -12.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.580 -3.405 -12.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.989 -2.579 -10.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.472 -2.329 -11.354 1.00 0.00 H new ATOM 309 N ASN A 21 5.877 3.618 -9.472 1.00 0.00 N ATOM 310 CA ASN A 21 4.929 4.311 -8.608 1.00 0.00 C ATOM 311 C ASN A 21 3.587 3.585 -8.581 1.00 0.00 C ATOM 312 O ASN A 21 2.832 3.616 -9.552 1.00 0.00 O ATOM 313 CB ASN A 21 4.732 5.752 -9.085 1.00 0.00 C ATOM 314 CG ASN A 21 5.937 6.626 -8.796 1.00 0.00 C ATOM 315 OD1 ASN A 21 5.912 7.457 -7.888 1.00 0.00 O ATOM 316 ND2 ASN A 21 7.000 6.442 -9.570 1.00 0.00 N ATOM 0 H ASN A 21 5.527 3.421 -10.410 1.00 0.00 H new ATOM 0 HA ASN A 21 5.337 4.322 -7.597 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.534 5.753 -10.157 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.854 6.176 -8.598 1.00 0.00 H new ATOM 0 HD21 ASN A 21 7.840 7.001 -9.424 1.00 0.00 H new ATOM 0 HD22 ASN A 21 6.976 5.742 -10.311 1.00 0.00 H new ATOM 323 N VAL A 22 3.297 2.932 -7.460 1.00 0.00 N ATOM 324 CA VAL A 22 2.046 2.200 -7.304 1.00 0.00 C ATOM 325 C VAL A 22 1.123 2.893 -6.308 1.00 0.00 C ATOM 326 O VAL A 22 1.536 3.240 -5.201 1.00 0.00 O ATOM 327 CB VAL A 22 2.297 0.754 -6.834 1.00 0.00 C ATOM 328 CG1 VAL A 22 3.036 0.745 -5.505 1.00 0.00 C ATOM 329 CG2 VAL A 22 0.983 -0.006 -6.728 1.00 0.00 C ATOM 0 H VAL A 22 3.912 2.895 -6.647 1.00 0.00 H new ATOM 0 HA VAL A 22 1.568 2.179 -8.283 1.00 0.00 H new ATOM 0 HB VAL A 22 2.922 0.253 -7.573 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.204 -0.285 -5.189 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.995 1.251 -5.618 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.439 1.262 -4.753 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.178 -1.025 -6.395 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.332 0.492 -6.010 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.497 -0.030 -7.703 1.00 0.00 H new ATOM 339 N ARG A 23 -0.128 3.093 -6.708 1.00 0.00 N ATOM 340 CA ARG A 23 -1.110 3.746 -5.850 1.00 0.00 C ATOM 341 C ARG A 23 -2.153 2.747 -5.360 1.00 0.00 C ATOM 342 O ARG A 23 -2.423 1.742 -6.019 1.00 0.00 O ATOM 343 CB ARG A 23 -1.795 4.888 -6.602 1.00 0.00 C ATOM 344 CG ARG A 23 -1.543 6.257 -5.992 1.00 0.00 C ATOM 345 CD ARG A 23 -2.835 6.898 -5.508 1.00 0.00 C ATOM 346 NE ARG A 23 -2.856 8.338 -5.750 1.00 0.00 N ATOM 347 CZ ARG A 23 -3.010 8.879 -6.953 1.00 0.00 C ATOM 348 NH1 ARG A 23 -3.158 8.103 -8.018 1.00 0.00 N ATOM 349 NH2 ARG A 23 -3.019 10.198 -7.093 1.00 0.00 N ATOM 0 H ARG A 23 -0.486 2.812 -7.621 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.587 4.152 -4.984 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.448 4.891 -7.635 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.869 4.703 -6.627 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.848 6.162 -5.158 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.069 6.904 -6.730 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.682 6.433 -6.013 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.957 6.708 -4.442 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.746 8.963 -4.951 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -3.154 7.088 -7.914 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -3.276 8.521 -8.941 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.908 10.798 -6.276 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -3.137 10.612 -8.018 1.00 0.00 H new ATOM 363 N ILE A 24 -2.736 3.030 -4.200 1.00 0.00 N ATOM 364 CA ILE A 24 -3.750 2.156 -3.622 1.00 0.00 C ATOM 365 C ILE A 24 -5.013 2.937 -3.271 1.00 0.00 C ATOM 366 O ILE A 24 -4.945 4.022 -2.694 1.00 0.00 O ATOM 367 CB ILE A 24 -3.230 1.449 -2.357 1.00 0.00 C ATOM 368 CG1 ILE A 24 -1.856 0.829 -2.622 1.00 0.00 C ATOM 369 CG2 ILE A 24 -4.217 0.385 -1.901 1.00 0.00 C ATOM 370 CD1 ILE A 24 -1.880 -0.277 -3.653 1.00 0.00 C ATOM 0 H ILE A 24 -2.524 3.857 -3.642 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.986 1.405 -4.376 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.128 2.187 -1.562 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.172 1.610 -2.955 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -1.458 0.434 -1.687 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.835 -0.106 -1.006 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.177 0.851 -1.678 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.347 -0.353 -2.692 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -0.872 -0.669 -3.789 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -2.538 -1.077 -3.313 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -2.247 0.117 -4.601 1.00 0.00 H new ATOM 382 N THR A 25 -6.166 2.375 -3.623 1.00 0.00 N ATOM 383 CA THR A 25 -7.444 3.017 -3.345 1.00 0.00 C ATOM 384 C THR A 25 -8.590 2.015 -3.418 1.00 0.00 C ATOM 385 O THR A 25 -9.305 1.946 -4.418 1.00 0.00 O ATOM 386 CB THR A 25 -7.721 4.169 -4.330 1.00 0.00 C ATOM 387 OG1 THR A 25 -6.701 5.168 -4.215 1.00 0.00 O ATOM 388 CG2 THR A 25 -9.082 4.793 -4.064 1.00 0.00 C ATOM 0 H THR A 25 -6.240 1.477 -4.101 1.00 0.00 H new ATOM 0 HA THR A 25 -7.381 3.420 -2.334 1.00 0.00 H new ATOM 0 HB THR A 25 -7.717 3.762 -5.341 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.140 4.975 -3.435 1.00 0.00 H new ATOM 0 HG21 THR A 25 -9.255 5.604 -4.772 1.00 0.00 H new ATOM 0 HG22 THR A 25 -9.858 4.037 -4.182 1.00 0.00 H new ATOM 0 HG23 THR A 25 -9.110 5.186 -3.048 1.00 0.00 H new ATOM 396 N PHE A 26 -8.760 1.239 -2.352 1.00 0.00 N ATOM 397 CA PHE A 26 -9.821 0.239 -2.296 1.00 0.00 C ATOM 398 C PHE A 26 -10.759 0.508 -1.123 1.00 0.00 C ATOM 399 O PHE A 26 -11.845 1.060 -1.298 1.00 0.00 O ATOM 400 CB PHE A 26 -9.222 -1.163 -2.174 1.00 0.00 C ATOM 401 CG PHE A 26 -10.252 -2.242 -2.001 1.00 0.00 C ATOM 402 CD1 PHE A 26 -10.996 -2.688 -3.082 1.00 0.00 C ATOM 403 CD2 PHE A 26 -10.477 -2.811 -0.757 1.00 0.00 C ATOM 404 CE1 PHE A 26 -11.945 -3.680 -2.925 1.00 0.00 C ATOM 405 CE2 PHE A 26 -11.425 -3.803 -0.595 1.00 0.00 C ATOM 406 CZ PHE A 26 -12.159 -4.239 -1.680 1.00 0.00 C ATOM 0 H PHE A 26 -8.177 1.283 -1.516 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.396 0.302 -3.220 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.631 -1.376 -3.065 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.539 -1.185 -1.325 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -10.832 -2.255 -4.058 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -9.905 -2.475 0.095 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -12.519 -4.018 -3.775 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -11.592 -4.237 0.380 1.00 0.00 H new ATOM 0 HZ PHE A 26 -12.899 -5.016 -1.556 1.00 0.00 H new ATOM 416 N GLU A 27 -10.332 0.111 0.072 1.00 0.00 N ATOM 417 CA GLU A 27 -11.135 0.307 1.273 1.00 0.00 C ATOM 418 C GLU A 27 -10.467 -0.336 2.485 1.00 0.00 C ATOM 419 O GLU A 27 -9.830 -1.384 2.373 1.00 0.00 O ATOM 420 CB GLU A 27 -12.536 -0.278 1.078 1.00 0.00 C ATOM 421 CG GLU A 27 -13.629 0.774 0.998 1.00 0.00 C ATOM 422 CD GLU A 27 -14.905 0.344 1.696 1.00 0.00 C ATOM 423 OE1 GLU A 27 -15.536 -0.628 1.231 1.00 0.00 O ATOM 424 OE2 GLU A 27 -15.273 0.979 2.706 1.00 0.00 O ATOM 0 H GLU A 27 -9.435 -0.348 0.234 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.219 1.379 1.452 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.548 -0.873 0.165 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.756 -0.956 1.903 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.269 1.701 1.445 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.846 0.988 -0.048 1.00 0.00 H new ATOM 431 N LEU A 28 -10.618 0.299 3.642 1.00 0.00 N ATOM 432 CA LEU A 28 -10.030 -0.210 4.876 1.00 0.00 C ATOM 433 C LEU A 28 -10.842 0.231 6.089 1.00 0.00 C ATOM 434 O LEU A 28 -11.282 -0.596 6.888 1.00 0.00 O ATOM 435 CB LEU A 28 -8.585 0.273 5.012 1.00 0.00 C ATOM 436 CG LEU A 28 -7.512 -0.817 5.030 1.00 0.00 C ATOM 437 CD1 LEU A 28 -7.223 -1.305 3.619 1.00 0.00 C ATOM 438 CD2 LEU A 28 -6.240 -0.302 5.689 1.00 0.00 C ATOM 0 H LEU A 28 -11.142 1.167 3.751 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.040 -1.299 4.832 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.371 0.952 4.187 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.502 0.852 5.932 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.886 -1.658 5.614 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.457 -2.080 3.652 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.134 -1.713 3.181 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.870 -0.472 3.011 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.487 -1.091 5.693 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.863 0.556 5.132 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.457 -0.002 6.714 1.00 0.00 H new ATOM 450 N ASP A 29 -11.038 1.538 6.219 1.00 0.00 N ATOM 451 CA ASP A 29 -11.801 2.090 7.333 1.00 0.00 C ATOM 452 C ASP A 29 -12.958 2.946 6.828 1.00 0.00 C ATOM 453 O ASP A 29 -13.154 3.092 5.622 1.00 0.00 O ATOM 454 CB ASP A 29 -10.892 2.922 8.239 1.00 0.00 C ATOM 455 CG ASP A 29 -11.234 2.763 9.707 1.00 0.00 C ATOM 456 OD1 ASP A 29 -12.185 3.427 10.170 1.00 0.00 O ATOM 457 OD2 ASP A 29 -10.551 1.975 10.394 1.00 0.00 O ATOM 0 H ASP A 29 -10.679 2.236 5.567 1.00 0.00 H new ATOM 0 HA ASP A 29 -12.211 1.259 7.907 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -9.855 2.628 8.077 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -10.972 3.973 7.962 1.00 0.00 H new ATOM 462 N GLU A 30 -13.723 3.508 7.760 1.00 0.00 N ATOM 463 CA GLU A 30 -14.862 4.347 7.408 1.00 0.00 C ATOM 464 C GLU A 30 -14.605 5.802 7.791 1.00 0.00 C ATOM 465 O GLU A 30 -14.885 6.718 7.018 1.00 0.00 O ATOM 466 CB GLU A 30 -16.129 3.842 8.101 1.00 0.00 C ATOM 467 CG GLU A 30 -16.766 2.648 7.410 1.00 0.00 C ATOM 468 CD GLU A 30 -18.156 2.950 6.886 1.00 0.00 C ATOM 469 OE1 GLU A 30 -19.058 3.206 7.711 1.00 0.00 O ATOM 470 OE2 GLU A 30 -18.342 2.931 5.651 1.00 0.00 O ATOM 0 H GLU A 30 -13.574 3.397 8.763 1.00 0.00 H new ATOM 0 HA GLU A 30 -15.001 4.293 6.328 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.887 3.570 9.128 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -16.855 4.654 8.149 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -16.131 2.331 6.583 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -16.819 1.814 8.110 1.00 0.00 H new ATOM 477 N ARG A 31 -14.069 6.006 8.990 1.00 0.00 N ATOM 478 CA ARG A 31 -13.776 7.348 9.478 1.00 0.00 C ATOM 479 C ARG A 31 -12.363 7.772 9.086 1.00 0.00 C ATOM 480 O ARG A 31 -12.097 8.954 8.867 1.00 0.00 O ATOM 481 CB ARG A 31 -13.934 7.408 10.998 1.00 0.00 C ATOM 482 CG ARG A 31 -14.474 8.736 11.503 1.00 0.00 C ATOM 483 CD ARG A 31 -15.984 8.694 11.674 1.00 0.00 C ATOM 484 NE ARG A 31 -16.489 9.876 12.369 1.00 0.00 N ATOM 485 CZ ARG A 31 -16.582 11.075 11.806 1.00 0.00 C ATOM 486 NH1 ARG A 31 -16.207 11.251 10.546 1.00 0.00 N ATOM 487 NH2 ARG A 31 -17.052 12.102 12.503 1.00 0.00 N ATOM 0 H ARG A 31 -13.829 5.259 9.641 1.00 0.00 H new ATOM 0 HA ARG A 31 -14.485 8.037 9.019 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -14.603 6.609 11.317 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -12.967 7.219 11.463 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -14.005 8.982 12.456 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -14.208 9.528 10.803 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -16.458 8.619 10.695 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -16.261 7.799 12.232 1.00 0.00 H new ATOM 0 HE ARG A 31 -16.786 9.775 13.339 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -15.846 10.464 10.007 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -16.280 12.173 10.116 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -17.342 11.971 13.472 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -17.123 13.023 12.070 1.00 0.00 H new ATOM 501 N VAL A 32 -11.461 6.799 9.000 1.00 0.00 N ATOM 502 CA VAL A 32 -10.076 7.071 8.634 1.00 0.00 C ATOM 503 C VAL A 32 -9.702 6.363 7.337 1.00 0.00 C ATOM 504 O VAL A 32 -8.672 5.692 7.259 1.00 0.00 O ATOM 505 CB VAL A 32 -9.105 6.630 9.745 1.00 0.00 C ATOM 506 CG1 VAL A 32 -9.265 7.512 10.975 1.00 0.00 C ATOM 507 CG2 VAL A 32 -9.327 5.167 10.096 1.00 0.00 C ATOM 0 H VAL A 32 -11.665 5.816 9.179 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.991 8.149 8.494 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.085 6.741 9.378 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -8.571 7.186 11.750 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -9.052 8.548 10.710 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -10.287 7.435 11.347 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.632 4.872 10.883 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -10.350 5.028 10.444 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.157 4.551 9.213 1.00 0.00 H new ATOM 517 N ASP A 33 -10.543 6.517 6.321 1.00 0.00 N ATOM 518 CA ASP A 33 -10.300 5.894 5.025 1.00 0.00 C ATOM 519 C ASP A 33 -9.371 6.754 4.174 1.00 0.00 C ATOM 520 O ASP A 33 -8.446 6.247 3.538 1.00 0.00 O ATOM 521 CB ASP A 33 -11.621 5.667 4.289 1.00 0.00 C ATOM 522 CG ASP A 33 -12.292 6.966 3.888 1.00 0.00 C ATOM 523 OD1 ASP A 33 -12.531 7.809 4.778 1.00 0.00 O ATOM 524 OD2 ASP A 33 -12.578 7.140 2.685 1.00 0.00 O ATOM 0 H ASP A 33 -11.400 7.068 6.370 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.818 4.931 5.197 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -11.438 5.066 3.398 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -12.295 5.095 4.927 1.00 0.00 H new ATOM 529 N LYS A 34 -9.623 8.058 4.166 1.00 0.00 N ATOM 530 CA LYS A 34 -8.809 8.990 3.394 1.00 0.00 C ATOM 531 C LYS A 34 -7.414 9.124 3.997 1.00 0.00 C ATOM 532 O LYS A 34 -6.467 9.515 3.314 1.00 0.00 O ATOM 533 CB LYS A 34 -9.485 10.362 3.336 1.00 0.00 C ATOM 534 CG LYS A 34 -9.013 11.318 4.418 1.00 0.00 C ATOM 535 CD LYS A 34 -9.464 10.867 5.797 1.00 0.00 C ATOM 536 CE LYS A 34 -10.157 11.990 6.552 1.00 0.00 C ATOM 537 NZ LYS A 34 -9.203 13.062 6.951 1.00 0.00 N ATOM 0 H LYS A 34 -10.385 8.494 4.686 1.00 0.00 H new ATOM 0 HA LYS A 34 -8.712 8.596 2.382 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.297 10.810 2.360 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -10.563 10.231 3.424 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.925 11.387 4.395 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.400 12.317 4.216 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.143 10.020 5.700 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.602 10.521 6.368 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.942 12.417 5.928 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.641 11.585 7.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.714 13.809 7.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.468 12.661 7.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.760 13.466 6.101 1.00 0.00 H new ATOM 551 N VAL A 35 -7.295 8.795 5.279 1.00 0.00 N ATOM 552 CA VAL A 35 -6.015 8.875 5.973 1.00 0.00 C ATOM 553 C VAL A 35 -4.979 7.965 5.323 1.00 0.00 C ATOM 554 O VAL A 35 -3.776 8.124 5.535 1.00 0.00 O ATOM 555 CB VAL A 35 -6.157 8.494 7.458 1.00 0.00 C ATOM 556 CG1 VAL A 35 -4.801 8.514 8.147 1.00 0.00 C ATOM 557 CG2 VAL A 35 -7.132 9.429 8.157 1.00 0.00 C ATOM 0 H VAL A 35 -8.069 8.471 5.858 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.681 9.910 5.901 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.554 7.481 7.518 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.922 8.242 9.196 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.136 7.800 7.661 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.373 9.514 8.078 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.220 9.145 9.206 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.767 10.454 8.088 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.109 9.359 7.679 1.00 0.00 H new ATOM 567 N LEU A 36 -5.453 7.011 4.529 1.00 0.00 N ATOM 568 CA LEU A 36 -4.568 6.074 3.846 1.00 0.00 C ATOM 569 C LEU A 36 -4.746 6.161 2.333 1.00 0.00 C ATOM 570 O LEU A 36 -4.136 5.401 1.582 1.00 0.00 O ATOM 571 CB LEU A 36 -4.840 4.646 4.322 1.00 0.00 C ATOM 572 CG LEU A 36 -6.046 3.947 3.693 1.00 0.00 C ATOM 573 CD1 LEU A 36 -5.612 3.089 2.515 1.00 0.00 C ATOM 574 CD2 LEU A 36 -6.774 3.104 4.730 1.00 0.00 C ATOM 0 H LEU A 36 -6.445 6.866 4.342 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.539 6.341 4.088 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.953 4.044 4.125 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.979 4.665 5.403 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.733 4.710 3.326 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.484 2.600 2.081 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.136 3.718 1.763 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.904 2.333 2.856 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.629 2.614 4.265 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.095 2.349 5.127 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.120 3.744 5.542 1.00 0.00 H new ATOM 586 N ASN A 37 -5.584 7.094 1.894 1.00 0.00 N ATOM 587 CA ASN A 37 -5.841 7.282 0.471 1.00 0.00 C ATOM 588 C ASN A 37 -5.506 8.707 0.041 1.00 0.00 C ATOM 589 O ASN A 37 -5.545 9.033 -1.145 1.00 0.00 O ATOM 590 CB ASN A 37 -7.304 6.971 0.150 1.00 0.00 C ATOM 591 CG ASN A 37 -7.604 5.485 0.200 1.00 0.00 C ATOM 592 OD1 ASN A 37 -6.919 4.681 -0.431 1.00 0.00 O ATOM 593 ND2 ASN A 37 -8.633 5.115 0.954 1.00 0.00 N ATOM 0 H ASN A 37 -6.097 7.732 2.503 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.201 6.595 -0.082 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.947 7.493 0.858 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.545 7.354 -0.842 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -8.883 4.129 1.027 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.173 5.817 1.460 1.00 0.00 H new ATOM 600 N GLU A 38 -5.176 9.551 1.014 1.00 0.00 N ATOM 601 CA GLU A 38 -4.835 10.941 0.735 1.00 0.00 C ATOM 602 C GLU A 38 -3.424 11.262 1.219 1.00 0.00 C ATOM 603 O GLU A 38 -2.689 12.010 0.574 1.00 0.00 O ATOM 604 CB GLU A 38 -5.841 11.880 1.403 1.00 0.00 C ATOM 605 CG GLU A 38 -5.346 13.311 1.532 1.00 0.00 C ATOM 606 CD GLU A 38 -6.403 14.330 1.154 1.00 0.00 C ATOM 607 OE1 GLU A 38 -7.514 14.271 1.722 1.00 0.00 O ATOM 608 OE2 GLU A 38 -6.120 15.187 0.291 1.00 0.00 O ATOM 0 H GLU A 38 -5.138 9.297 2.001 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.873 11.088 -0.344 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.767 11.875 0.828 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.080 11.496 2.395 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.025 13.489 2.558 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.471 13.448 0.896 1.00 0.00 H new ATOM 615 N LYS A 39 -3.052 10.691 2.359 1.00 0.00 N ATOM 616 CA LYS A 39 -1.729 10.914 2.932 1.00 0.00 C ATOM 617 C LYS A 39 -0.952 9.606 3.031 1.00 0.00 C ATOM 618 O LYS A 39 -0.032 9.479 3.841 1.00 0.00 O ATOM 619 CB LYS A 39 -1.851 11.554 4.316 1.00 0.00 C ATOM 620 CG LYS A 39 -2.798 10.815 5.247 1.00 0.00 C ATOM 621 CD LYS A 39 -3.139 11.647 6.471 1.00 0.00 C ATOM 622 CE LYS A 39 -4.330 12.556 6.213 1.00 0.00 C ATOM 623 NZ LYS A 39 -5.464 12.259 7.132 1.00 0.00 N ATOM 0 H LYS A 39 -3.648 10.070 2.905 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.184 11.590 2.273 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.863 11.597 4.775 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.195 12.582 4.203 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.713 10.563 4.711 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.342 9.876 5.560 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.358 10.988 7.311 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.276 12.249 6.755 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.026 13.596 6.335 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.659 12.439 5.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.241 11.825 6.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.147 11.603 7.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.797 13.142 7.570 1.00 0.00 H new ATOM 637 N CYS A 40 -1.325 8.637 2.203 1.00 0.00 N ATOM 638 CA CYS A 40 -0.661 7.338 2.198 1.00 0.00 C ATOM 639 C CYS A 40 -1.255 6.428 1.127 1.00 0.00 C ATOM 640 O CYS A 40 -1.592 5.275 1.394 1.00 0.00 O ATOM 641 CB CYS A 40 -0.782 6.675 3.571 1.00 0.00 C ATOM 642 SG CYS A 40 0.674 5.719 4.059 1.00 0.00 S ATOM 0 H CYS A 40 -2.083 8.726 1.527 1.00 0.00 H new ATOM 0 HA CYS A 40 0.393 7.497 1.971 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.965 7.445 4.320 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -1.652 6.018 3.570 1.00 0.00 H new ATOM 0 HG CYS A 40 0.700 4.600 3.398 1.00 0.00 H new ATOM 648 N SER A 41 -1.381 6.956 -0.087 1.00 0.00 N ATOM 649 CA SER A 41 -1.939 6.194 -1.198 1.00 0.00 C ATOM 650 C SER A 41 -0.856 5.839 -2.212 1.00 0.00 C ATOM 651 O SER A 41 -0.897 4.779 -2.837 1.00 0.00 O ATOM 652 CB SER A 41 -3.053 6.989 -1.881 1.00 0.00 C ATOM 653 OG SER A 41 -2.522 8.063 -2.638 1.00 0.00 O ATOM 0 H SER A 41 -1.104 7.908 -0.326 1.00 0.00 H new ATOM 0 HA SER A 41 -2.355 5.269 -0.799 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.628 6.330 -2.532 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.742 7.375 -1.130 1.00 0.00 H new ATOM 0 HG SER A 41 -3.254 8.555 -3.066 1.00 0.00 H new ATOM 659 N VAL A 42 0.114 6.735 -2.370 1.00 0.00 N ATOM 660 CA VAL A 42 1.209 6.518 -3.308 1.00 0.00 C ATOM 661 C VAL A 42 2.346 5.740 -2.654 1.00 0.00 C ATOM 662 O VAL A 42 2.715 6.004 -1.509 1.00 0.00 O ATOM 663 CB VAL A 42 1.759 7.852 -3.847 1.00 0.00 C ATOM 664 CG1 VAL A 42 3.088 7.635 -4.555 1.00 0.00 C ATOM 665 CG2 VAL A 42 0.750 8.506 -4.778 1.00 0.00 C ATOM 0 H VAL A 42 0.163 7.617 -1.861 1.00 0.00 H new ATOM 0 HA VAL A 42 0.805 5.938 -4.138 1.00 0.00 H new ATOM 0 HB VAL A 42 1.929 8.522 -3.004 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.461 8.588 -4.929 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.809 7.213 -3.855 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.948 6.948 -5.389 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.155 9.447 -5.150 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.546 7.842 -5.618 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.175 8.698 -4.235 1.00 0.00 H new ATOM 675 N TYR A 43 2.897 4.780 -3.388 1.00 0.00 N ATOM 676 CA TYR A 43 3.991 3.961 -2.879 1.00 0.00 C ATOM 677 C TYR A 43 5.007 3.665 -3.978 1.00 0.00 C ATOM 678 O TYR A 43 4.710 3.793 -5.167 1.00 0.00 O ATOM 679 CB TYR A 43 3.450 2.652 -2.303 1.00 0.00 C ATOM 680 CG TYR A 43 2.530 2.846 -1.119 1.00 0.00 C ATOM 681 CD1 TYR A 43 1.203 3.215 -1.299 1.00 0.00 C ATOM 682 CD2 TYR A 43 2.987 2.659 0.180 1.00 0.00 C ATOM 683 CE1 TYR A 43 0.358 3.394 -0.220 1.00 0.00 C ATOM 684 CE2 TYR A 43 2.150 2.834 1.264 1.00 0.00 C ATOM 685 CZ TYR A 43 0.837 3.202 1.059 1.00 0.00 C ATOM 686 OH TYR A 43 -0.002 3.378 2.137 1.00 0.00 O ATOM 0 H TYR A 43 2.604 4.550 -4.338 1.00 0.00 H new ATOM 0 HA TYR A 43 4.491 4.519 -2.088 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.913 2.115 -3.085 1.00 0.00 H new ATOM 0 HB3 TYR A 43 4.288 2.023 -2.002 1.00 0.00 H new ATOM 0 HD1 TYR A 43 0.825 3.365 -2.300 1.00 0.00 H new ATOM 0 HD2 TYR A 43 4.015 2.372 0.344 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.671 3.682 -0.377 1.00 0.00 H new ATOM 0 HE2 TYR A 43 2.522 2.684 2.267 1.00 0.00 H new ATOM 0 HH TYR A 43 -0.649 4.086 1.936 1.00 0.00 H new ATOM 696 N THR A 44 6.209 3.267 -3.573 1.00 0.00 N ATOM 697 CA THR A 44 7.270 2.952 -4.521 1.00 0.00 C ATOM 698 C THR A 44 7.545 1.454 -4.560 1.00 0.00 C ATOM 699 O THR A 44 7.270 0.736 -3.599 1.00 0.00 O ATOM 700 CB THR A 44 8.574 3.694 -4.170 1.00 0.00 C ATOM 701 OG1 THR A 44 8.280 4.870 -3.408 1.00 0.00 O ATOM 702 CG2 THR A 44 9.334 4.077 -5.431 1.00 0.00 C ATOM 0 H THR A 44 6.472 3.155 -2.594 1.00 0.00 H new ATOM 0 HA THR A 44 6.926 3.280 -5.502 1.00 0.00 H new ATOM 0 HB THR A 44 9.198 3.025 -3.577 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.114 5.334 -3.188 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.251 4.600 -5.159 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.583 3.177 -5.993 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.714 4.729 -6.046 1.00 0.00 H new ATOM 710 N VAL A 45 8.092 0.986 -5.678 1.00 0.00 N ATOM 711 CA VAL A 45 8.406 -0.428 -5.842 1.00 0.00 C ATOM 712 C VAL A 45 9.585 -0.622 -6.790 1.00 0.00 C ATOM 713 O VAL A 45 9.583 -0.113 -7.910 1.00 0.00 O ATOM 714 CB VAL A 45 7.195 -1.214 -6.379 1.00 0.00 C ATOM 715 CG1 VAL A 45 6.602 -0.517 -7.594 1.00 0.00 C ATOM 716 CG2 VAL A 45 7.595 -2.642 -6.716 1.00 0.00 C ATOM 0 H VAL A 45 8.327 1.566 -6.483 1.00 0.00 H new ATOM 0 HA VAL A 45 8.669 -0.810 -4.856 1.00 0.00 H new ATOM 0 HB VAL A 45 6.432 -1.248 -5.601 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.748 -1.087 -7.959 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.277 0.486 -7.316 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.356 -0.450 -8.379 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.728 -3.183 -7.094 1.00 0.00 H new ATOM 0 HG22 VAL A 45 8.376 -2.631 -7.477 1.00 0.00 H new ATOM 0 HG23 VAL A 45 7.969 -3.136 -5.819 1.00 0.00 H new ATOM 726 N GLU A 46 10.589 -1.363 -6.332 1.00 0.00 N ATOM 727 CA GLU A 46 11.775 -1.624 -7.141 1.00 0.00 C ATOM 728 C GLU A 46 11.412 -2.400 -8.404 1.00 0.00 C ATOM 729 O GLU A 46 10.236 -2.562 -8.729 1.00 0.00 O ATOM 730 CB GLU A 46 12.810 -2.405 -6.329 1.00 0.00 C ATOM 731 CG GLU A 46 14.204 -1.801 -6.379 1.00 0.00 C ATOM 732 CD GLU A 46 15.191 -2.675 -7.129 1.00 0.00 C ATOM 733 OE1 GLU A 46 15.227 -2.596 -8.374 1.00 0.00 O ATOM 734 OE2 GLU A 46 15.928 -3.437 -6.468 1.00 0.00 O ATOM 0 H GLU A 46 10.605 -1.793 -5.407 1.00 0.00 H new ATOM 0 HA GLU A 46 12.202 -0.665 -7.435 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.482 -2.456 -5.291 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.853 -3.429 -6.700 1.00 0.00 H new ATOM 0 HG2 GLU A 46 14.155 -0.822 -6.856 1.00 0.00 H new ATOM 0 HG3 GLU A 46 14.564 -1.642 -5.362 1.00 0.00 H new ATOM 741 N SER A 47 12.431 -2.876 -9.112 1.00 0.00 N ATOM 742 CA SER A 47 12.221 -3.630 -10.342 1.00 0.00 C ATOM 743 C SER A 47 12.124 -5.125 -10.052 1.00 0.00 C ATOM 744 O SER A 47 11.522 -5.879 -10.815 1.00 0.00 O ATOM 745 CB SER A 47 13.358 -3.364 -11.329 1.00 0.00 C ATOM 746 OG SER A 47 12.920 -3.525 -12.667 1.00 0.00 O ATOM 0 H SER A 47 13.410 -2.753 -8.855 1.00 0.00 H new ATOM 0 HA SER A 47 11.281 -3.301 -10.785 1.00 0.00 H new ATOM 0 HB2 SER A 47 13.738 -2.352 -11.187 1.00 0.00 H new ATOM 0 HB3 SER A 47 14.184 -4.046 -11.129 1.00 0.00 H new ATOM 0 HG SER A 47 13.665 -3.348 -13.279 1.00 0.00 H new ATOM 752 N GLY A 48 12.723 -5.547 -8.942 1.00 0.00 N ATOM 753 CA GLY A 48 12.693 -6.949 -8.570 1.00 0.00 C ATOM 754 C GLY A 48 11.965 -7.187 -7.262 1.00 0.00 C ATOM 755 O GLY A 48 12.587 -7.278 -6.203 1.00 0.00 O ATOM 0 H GLY A 48 13.228 -4.943 -8.294 1.00 0.00 H new ATOM 0 HA2 GLY A 48 12.208 -7.521 -9.361 1.00 0.00 H new ATOM 0 HA3 GLY A 48 13.714 -7.321 -8.487 1.00 0.00 H new ATOM 759 N THR A 49 10.641 -7.286 -7.333 1.00 0.00 N ATOM 760 CA THR A 49 9.827 -7.511 -6.145 1.00 0.00 C ATOM 761 C THR A 49 8.695 -8.491 -6.433 1.00 0.00 C ATOM 762 O THR A 49 8.404 -8.795 -7.589 1.00 0.00 O ATOM 763 CB THR A 49 9.228 -6.194 -5.617 1.00 0.00 C ATOM 764 OG1 THR A 49 10.101 -5.101 -5.922 1.00 0.00 O ATOM 765 CG2 THR A 49 9.004 -6.266 -4.114 1.00 0.00 C ATOM 0 H THR A 49 10.110 -7.214 -8.201 1.00 0.00 H new ATOM 0 HA THR A 49 10.485 -7.932 -5.385 1.00 0.00 H new ATOM 0 HB THR A 49 8.266 -6.037 -6.105 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.796 -4.298 -5.451 1.00 0.00 H new ATOM 0 HG21 THR A 49 8.580 -5.325 -3.764 1.00 0.00 H new ATOM 0 HG22 THR A 49 8.316 -7.080 -3.887 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.955 -6.445 -3.613 1.00 0.00 H new ATOM 773 N GLU A 50 8.061 -8.982 -5.373 1.00 0.00 N ATOM 774 CA GLU A 50 6.960 -9.929 -5.513 1.00 0.00 C ATOM 775 C GLU A 50 5.646 -9.308 -5.049 1.00 0.00 C ATOM 776 O GLU A 50 5.637 -8.371 -4.251 1.00 0.00 O ATOM 777 CB GLU A 50 7.247 -11.201 -4.712 1.00 0.00 C ATOM 778 CG GLU A 50 7.815 -12.333 -5.551 1.00 0.00 C ATOM 779 CD GLU A 50 6.892 -13.535 -5.608 1.00 0.00 C ATOM 780 OE1 GLU A 50 5.967 -13.532 -6.448 1.00 0.00 O ATOM 781 OE2 GLU A 50 7.094 -14.478 -4.815 1.00 0.00 O ATOM 0 H GLU A 50 8.290 -8.740 -4.409 1.00 0.00 H new ATOM 0 HA GLU A 50 6.868 -10.186 -6.568 1.00 0.00 H new ATOM 0 HB2 GLU A 50 7.949 -10.966 -3.912 1.00 0.00 H new ATOM 0 HB3 GLU A 50 6.325 -11.538 -4.239 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.000 -11.973 -6.563 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.778 -12.638 -5.140 1.00 0.00 H new ATOM 788 N VAL A 51 4.537 -9.838 -5.555 1.00 0.00 N ATOM 789 CA VAL A 51 3.216 -9.337 -5.193 1.00 0.00 C ATOM 790 C VAL A 51 2.953 -9.510 -3.701 1.00 0.00 C ATOM 791 O VAL A 51 2.053 -8.883 -3.141 1.00 0.00 O ATOM 792 CB VAL A 51 2.107 -10.055 -5.985 1.00 0.00 C ATOM 793 CG1 VAL A 51 0.773 -9.349 -5.795 1.00 0.00 C ATOM 794 CG2 VAL A 51 2.473 -10.136 -7.459 1.00 0.00 C ATOM 0 H VAL A 51 4.527 -10.614 -6.217 1.00 0.00 H new ATOM 0 HA VAL A 51 3.201 -8.276 -5.441 1.00 0.00 H new ATOM 0 HB VAL A 51 2.010 -11.071 -5.603 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.002 -9.870 -6.362 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.509 -9.349 -4.738 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.852 -8.321 -6.149 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.679 -10.646 -8.004 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.599 -9.130 -7.859 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.405 -10.690 -7.573 1.00 0.00 H new ATOM 804 N THR A 52 3.746 -10.364 -3.060 1.00 0.00 N ATOM 805 CA THR A 52 3.599 -10.620 -1.633 1.00 0.00 C ATOM 806 C THR A 52 4.460 -9.667 -0.812 1.00 0.00 C ATOM 807 O THR A 52 4.166 -9.398 0.352 1.00 0.00 O ATOM 808 CB THR A 52 3.978 -12.070 -1.281 1.00 0.00 C ATOM 809 OG1 THR A 52 3.938 -12.256 0.139 1.00 0.00 O ATOM 810 CG2 THR A 52 5.367 -12.408 -1.802 1.00 0.00 C ATOM 0 H THR A 52 4.497 -10.890 -3.507 1.00 0.00 H new ATOM 0 HA THR A 52 2.549 -10.458 -1.389 1.00 0.00 H new ATOM 0 HB THR A 52 3.257 -12.736 -1.755 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.179 -13.181 0.355 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.613 -13.437 -1.541 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.387 -12.293 -2.886 1.00 0.00 H new ATOM 0 HG23 THR A 52 6.098 -11.736 -1.353 1.00 0.00 H new ATOM 818 N GLU A 53 5.524 -9.160 -1.427 1.00 0.00 N ATOM 819 CA GLU A 53 6.428 -8.236 -0.751 1.00 0.00 C ATOM 820 C GLU A 53 5.722 -6.922 -0.429 1.00 0.00 C ATOM 821 O GLU A 53 6.030 -6.268 0.567 1.00 0.00 O ATOM 822 CB GLU A 53 7.660 -7.968 -1.618 1.00 0.00 C ATOM 823 CG GLU A 53 8.975 -8.124 -0.872 1.00 0.00 C ATOM 824 CD GLU A 53 9.780 -9.315 -1.352 1.00 0.00 C ATOM 825 OE1 GLU A 53 9.185 -10.397 -1.542 1.00 0.00 O ATOM 826 OE2 GLU A 53 11.006 -9.166 -1.538 1.00 0.00 O ATOM 0 H GLU A 53 5.781 -9.373 -2.391 1.00 0.00 H new ATOM 0 HA GLU A 53 6.745 -8.696 0.185 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.651 -8.650 -2.468 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.598 -6.957 -2.020 1.00 0.00 H new ATOM 0 HG2 GLU A 53 9.567 -7.217 -0.994 1.00 0.00 H new ATOM 0 HG3 GLU A 53 8.773 -8.232 0.194 1.00 0.00 H new ATOM 833 N PHE A 54 4.775 -6.542 -1.280 1.00 0.00 N ATOM 834 CA PHE A 54 4.027 -5.306 -1.088 1.00 0.00 C ATOM 835 C PHE A 54 2.990 -5.464 0.021 1.00 0.00 C ATOM 836 O PHE A 54 2.502 -4.479 0.574 1.00 0.00 O ATOM 837 CB PHE A 54 3.337 -4.894 -2.391 1.00 0.00 C ATOM 838 CG PHE A 54 4.176 -5.132 -3.614 1.00 0.00 C ATOM 839 CD1 PHE A 54 5.462 -4.623 -3.697 1.00 0.00 C ATOM 840 CD2 PHE A 54 3.678 -5.863 -4.680 1.00 0.00 C ATOM 841 CE1 PHE A 54 6.237 -4.839 -4.821 1.00 0.00 C ATOM 842 CE2 PHE A 54 4.449 -6.083 -5.806 1.00 0.00 C ATOM 843 CZ PHE A 54 5.729 -5.570 -5.878 1.00 0.00 C ATOM 0 H PHE A 54 4.508 -7.072 -2.109 1.00 0.00 H new ATOM 0 HA PHE A 54 4.731 -4.527 -0.795 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.402 -5.446 -2.488 1.00 0.00 H new ATOM 0 HB3 PHE A 54 3.079 -3.836 -2.337 1.00 0.00 H new ATOM 0 HD1 PHE A 54 5.864 -4.051 -2.874 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.677 -6.265 -4.631 1.00 0.00 H new ATOM 0 HE1 PHE A 54 7.238 -4.437 -4.873 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.050 -6.656 -6.630 1.00 0.00 H new ATOM 0 HZ PHE A 54 6.332 -5.740 -6.758 1.00 0.00 H new ATOM 853 N ALA A 55 2.660 -6.711 0.340 1.00 0.00 N ATOM 854 CA ALA A 55 1.684 -6.999 1.384 1.00 0.00 C ATOM 855 C ALA A 55 2.295 -6.826 2.770 1.00 0.00 C ATOM 856 O ALA A 55 1.606 -6.955 3.783 1.00 0.00 O ATOM 857 CB ALA A 55 1.136 -8.409 1.219 1.00 0.00 C ATOM 0 H ALA A 55 3.054 -7.538 -0.109 1.00 0.00 H new ATOM 0 HA ALA A 55 0.864 -6.288 1.286 1.00 0.00 H new ATOM 0 HB1 ALA A 55 0.408 -8.611 2.005 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.654 -8.500 0.246 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.953 -9.127 1.288 1.00 0.00 H new ATOM 863 N CYS A 56 3.590 -6.533 2.808 1.00 0.00 N ATOM 864 CA CYS A 56 4.294 -6.344 4.072 1.00 0.00 C ATOM 865 C CYS A 56 4.830 -4.921 4.187 1.00 0.00 C ATOM 866 O CYS A 56 5.332 -4.519 5.237 1.00 0.00 O ATOM 867 CB CYS A 56 5.443 -7.346 4.195 1.00 0.00 C ATOM 868 SG CYS A 56 5.125 -8.694 5.357 1.00 0.00 S ATOM 0 H CYS A 56 4.174 -6.421 1.979 1.00 0.00 H new ATOM 0 HA CYS A 56 3.586 -6.514 4.883 1.00 0.00 H new ATOM 0 HB2 CYS A 56 5.649 -7.769 3.212 1.00 0.00 H new ATOM 0 HB3 CYS A 56 6.342 -6.815 4.508 1.00 0.00 H new ATOM 0 HG CYS A 56 6.152 -9.490 5.390 1.00 0.00 H new ATOM 874 N VAL A 57 4.721 -4.163 3.101 1.00 0.00 N ATOM 875 CA VAL A 57 5.195 -2.784 3.080 1.00 0.00 C ATOM 876 C VAL A 57 4.032 -1.802 3.158 1.00 0.00 C ATOM 877 O VAL A 57 4.200 -0.655 3.574 1.00 0.00 O ATOM 878 CB VAL A 57 6.015 -2.492 1.809 1.00 0.00 C ATOM 879 CG1 VAL A 57 5.104 -2.401 0.595 1.00 0.00 C ATOM 880 CG2 VAL A 57 6.821 -1.213 1.978 1.00 0.00 C ATOM 0 H VAL A 57 4.309 -4.480 2.224 1.00 0.00 H new ATOM 0 HA VAL A 57 5.834 -2.655 3.953 1.00 0.00 H new ATOM 0 HB VAL A 57 6.711 -3.315 1.650 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.701 -2.194 -0.293 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.575 -3.345 0.465 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.382 -1.598 0.742 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.394 -1.022 1.071 1.00 0.00 H new ATOM 0 HG22 VAL A 57 6.145 -0.378 2.163 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.502 -1.321 2.822 1.00 0.00 H new ATOM 890 N VAL A 58 2.851 -2.259 2.755 1.00 0.00 N ATOM 891 CA VAL A 58 1.658 -1.421 2.781 1.00 0.00 C ATOM 892 C VAL A 58 0.928 -1.545 4.114 1.00 0.00 C ATOM 893 O VAL A 58 0.158 -0.664 4.496 1.00 0.00 O ATOM 894 CB VAL A 58 0.689 -1.788 1.641 1.00 0.00 C ATOM 895 CG1 VAL A 58 -0.526 -0.872 1.657 1.00 0.00 C ATOM 896 CG2 VAL A 58 1.399 -1.723 0.298 1.00 0.00 C ATOM 0 H VAL A 58 2.695 -3.205 2.407 1.00 0.00 H new ATOM 0 HA VAL A 58 1.991 -0.392 2.647 1.00 0.00 H new ATOM 0 HB VAL A 58 0.344 -2.811 1.795 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.199 -1.146 0.845 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.046 -0.974 2.609 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.204 0.161 1.528 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.700 -1.985 -0.496 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.774 -0.713 0.133 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.233 -2.424 0.293 1.00 0.00 H new ATOM 906 N ALA A 59 1.176 -2.644 4.818 1.00 0.00 N ATOM 907 CA ALA A 59 0.544 -2.883 6.110 1.00 0.00 C ATOM 908 C ALA A 59 1.300 -2.175 7.229 1.00 0.00 C ATOM 909 O ALA A 59 0.714 -1.800 8.244 1.00 0.00 O ATOM 910 CB ALA A 59 0.461 -4.376 6.388 1.00 0.00 C ATOM 0 H ALA A 59 1.810 -3.383 4.516 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.466 -2.475 6.075 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.013 -4.540 7.356 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.129 -4.859 5.609 1.00 0.00 H new ATOM 0 HB3 ALA A 59 1.465 -4.800 6.399 1.00 0.00 H new ATOM 916 N GLU A 60 2.603 -1.998 7.037 1.00 0.00 N ATOM 917 CA GLU A 60 3.438 -1.337 8.033 1.00 0.00 C ATOM 918 C GLU A 60 3.494 0.168 7.784 1.00 0.00 C ATOM 919 O GLU A 60 3.998 0.927 8.611 1.00 0.00 O ATOM 920 CB GLU A 60 4.853 -1.920 8.014 1.00 0.00 C ATOM 921 CG GLU A 60 5.678 -1.476 6.818 1.00 0.00 C ATOM 922 CD GLU A 60 6.718 -0.434 7.182 1.00 0.00 C ATOM 923 OE1 GLU A 60 7.673 -0.778 7.909 1.00 0.00 O ATOM 924 OE2 GLU A 60 6.577 0.726 6.740 1.00 0.00 O ATOM 0 H GLU A 60 3.103 -2.303 6.202 1.00 0.00 H new ATOM 0 HA GLU A 60 2.994 -1.510 9.013 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.369 -1.629 8.929 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.789 -3.008 8.017 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.175 -2.343 6.382 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.015 -1.071 6.054 1.00 0.00 H new ATOM 931 N ALA A 61 2.971 0.592 6.638 1.00 0.00 N ATOM 932 CA ALA A 61 2.959 2.005 6.280 1.00 0.00 C ATOM 933 C ALA A 61 1.629 2.653 6.649 1.00 0.00 C ATOM 934 O ALA A 61 1.415 3.839 6.398 1.00 0.00 O ATOM 935 CB ALA A 61 3.238 2.175 4.794 1.00 0.00 C ATOM 0 H ALA A 61 2.550 -0.023 5.942 1.00 0.00 H new ATOM 0 HA ALA A 61 3.746 2.505 6.845 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.226 3.235 4.540 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.216 1.756 4.557 1.00 0.00 H new ATOM 0 HB3 ALA A 61 2.472 1.656 4.218 1.00 0.00 H new ATOM 941 N VAL A 62 0.739 1.868 7.245 1.00 0.00 N ATOM 942 CA VAL A 62 -0.571 2.366 7.649 1.00 0.00 C ATOM 943 C VAL A 62 -0.682 2.452 9.167 1.00 0.00 C ATOM 944 O VAL A 62 -1.533 3.166 9.699 1.00 0.00 O ATOM 945 CB VAL A 62 -1.702 1.469 7.113 1.00 0.00 C ATOM 946 CG1 VAL A 62 -2.025 1.822 5.669 1.00 0.00 C ATOM 947 CG2 VAL A 62 -1.324 0.001 7.241 1.00 0.00 C ATOM 0 H VAL A 62 0.900 0.884 7.459 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.675 3.364 7.223 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.596 1.643 7.712 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.826 1.178 5.307 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.342 2.863 5.611 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.138 1.678 5.052 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.135 -0.618 6.857 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.417 -0.193 6.668 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.149 -0.239 8.290 1.00 0.00 H new ATOM 957 N VAL A 63 0.185 1.721 9.861 1.00 0.00 N ATOM 958 CA VAL A 63 0.186 1.716 11.319 1.00 0.00 C ATOM 959 C VAL A 63 0.783 3.006 11.873 1.00 0.00 C ATOM 960 O VAL A 63 0.894 3.181 13.086 1.00 0.00 O ATOM 961 CB VAL A 63 0.977 0.517 11.876 1.00 0.00 C ATOM 962 CG1 VAL A 63 0.898 0.484 13.394 1.00 0.00 C ATOM 963 CG2 VAL A 63 0.463 -0.783 11.277 1.00 0.00 C ATOM 0 H VAL A 63 0.896 1.125 9.437 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.854 1.635 11.636 1.00 0.00 H new ATOM 0 HB VAL A 63 2.024 0.631 11.594 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.463 -0.370 13.769 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.318 1.404 13.800 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.144 0.394 13.702 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.033 -1.620 11.681 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.591 -0.907 11.527 1.00 0.00 H new ATOM 0 HG23 VAL A 63 0.578 -0.755 10.193 1.00 0.00 H new ATOM 973 N LYS A 64 1.165 3.907 10.975 1.00 0.00 N ATOM 974 CA LYS A 64 1.749 5.183 11.372 1.00 0.00 C ATOM 975 C LYS A 64 0.797 6.335 11.068 1.00 0.00 C ATOM 976 O LYS A 64 0.932 7.428 11.618 1.00 0.00 O ATOM 977 CB LYS A 64 3.081 5.404 10.651 1.00 0.00 C ATOM 978 CG LYS A 64 2.970 5.344 9.137 1.00 0.00 C ATOM 979 CD LYS A 64 3.972 4.369 8.543 1.00 0.00 C ATOM 980 CE LYS A 64 5.401 4.750 8.900 1.00 0.00 C ATOM 981 NZ LYS A 64 6.295 4.728 7.709 1.00 0.00 N ATOM 0 H LYS A 64 1.081 3.777 9.967 1.00 0.00 H new ATOM 0 HA LYS A 64 1.925 5.155 12.447 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.484 6.375 10.939 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.795 4.651 10.985 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.960 5.045 8.857 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.136 6.337 8.719 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.761 3.363 8.906 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.860 4.347 7.459 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.411 5.746 9.344 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.783 4.061 9.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 7.259 4.993 7.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 6.305 3.772 7.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 5.945 5.404 7.000 1.00 0.00 H new ATOM 995 N THR A 65 -0.168 6.084 10.188 1.00 0.00 N ATOM 996 CA THR A 65 -1.142 7.100 9.811 1.00 0.00 C ATOM 997 C THR A 65 -2.537 6.733 10.304 1.00 0.00 C ATOM 998 O THR A 65 -3.385 7.604 10.505 1.00 0.00 O ATOM 999 CB THR A 65 -1.186 7.298 8.284 1.00 0.00 C ATOM 1000 OG1 THR A 65 -0.052 6.670 7.677 1.00 0.00 O ATOM 1001 CG2 THR A 65 -1.202 8.778 7.931 1.00 0.00 C ATOM 0 H THR A 65 -0.295 5.185 9.723 1.00 0.00 H new ATOM 0 HA THR A 65 -0.826 8.031 10.282 1.00 0.00 H new ATOM 0 HB THR A 65 -2.100 6.841 7.906 1.00 0.00 H new ATOM 0 HG1 THR A 65 -0.088 6.799 6.706 1.00 0.00 H new ATOM 0 HG21 THR A 65 -1.233 8.893 6.848 1.00 0.00 H new ATOM 0 HG22 THR A 65 -2.082 9.248 8.371 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.303 9.255 8.321 1.00 0.00 H new ATOM 1009 N LEU A 66 -2.770 5.439 10.499 1.00 0.00 N ATOM 1010 CA LEU A 66 -4.063 4.957 10.970 1.00 0.00 C ATOM 1011 C LEU A 66 -3.978 4.501 12.423 1.00 0.00 C ATOM 1012 O LEU A 66 -4.653 3.554 12.826 1.00 0.00 O ATOM 1013 CB LEU A 66 -4.552 3.805 10.090 1.00 0.00 C ATOM 1014 CG LEU A 66 -5.012 4.185 8.682 1.00 0.00 C ATOM 1015 CD1 LEU A 66 -6.043 5.301 8.740 1.00 0.00 C ATOM 1016 CD2 LEU A 66 -3.824 4.598 7.825 1.00 0.00 C ATOM 0 H LEU A 66 -2.080 4.705 10.338 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.774 5.781 10.908 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.748 3.074 10.003 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.379 3.310 10.600 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.477 3.312 8.225 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.358 5.558 7.729 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.907 4.969 9.316 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.604 6.177 9.217 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.171 4.865 6.827 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.329 5.457 8.279 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.120 3.769 7.755 1.00 0.00 H new ATOM 1028 N GLN A 67 -3.146 5.182 13.204 1.00 0.00 N ATOM 1029 CA GLN A 67 -2.974 4.847 14.612 1.00 0.00 C ATOM 1030 C GLN A 67 -3.217 6.066 15.496 1.00 0.00 C ATOM 1031 O GLN A 67 -2.549 6.272 16.509 1.00 0.00 O ATOM 1032 CB GLN A 67 -1.569 4.294 14.860 1.00 0.00 C ATOM 1033 CG GLN A 67 -0.469 5.326 14.674 1.00 0.00 C ATOM 1034 CD GLN A 67 0.148 5.764 15.988 1.00 0.00 C ATOM 1035 OE1 GLN A 67 -0.029 6.903 16.421 1.00 0.00 O ATOM 1036 NE2 GLN A 67 0.877 4.859 16.631 1.00 0.00 N ATOM 0 H GLN A 67 -2.581 5.969 12.885 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.708 4.083 14.869 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -1.517 3.898 15.874 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.391 3.459 14.182 1.00 0.00 H new ATOM 0 HG2 GLN A 67 0.308 4.911 14.032 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -0.876 6.197 14.160 1.00 0.00 H new ATOM 0 HE21 GLN A 67 0.997 3.927 16.235 1.00 0.00 H new ATOM 0 HE22 GLN A 67 1.316 5.096 17.520 1.00 0.00 H new ATOM 1045 N PRO A 68 -4.195 6.896 15.104 1.00 0.00 N ATOM 1046 CA PRO A 68 -4.548 8.110 15.846 1.00 0.00 C ATOM 1047 C PRO A 68 -5.213 7.799 17.183 1.00 0.00 C ATOM 1048 O PRO A 68 -4.835 8.346 18.218 1.00 0.00 O ATOM 1049 CB PRO A 68 -5.529 8.824 14.913 1.00 0.00 C ATOM 1050 CG PRO A 68 -6.119 7.737 14.081 1.00 0.00 C ATOM 1051 CD PRO A 68 -5.032 6.714 13.906 1.00 0.00 C ATOM 0 HA PRO A 68 -3.669 8.704 16.097 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -6.298 9.353 15.476 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -5.021 9.564 14.295 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -6.990 7.301 14.569 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -6.453 8.121 13.117 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.437 5.704 13.849 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -4.465 6.883 12.990 1.00 0.00 H new ATOM 1059 N VAL A 69 -6.207 6.916 17.153 1.00 0.00 N ATOM 1060 CA VAL A 69 -6.924 6.531 18.362 1.00 0.00 C ATOM 1061 C VAL A 69 -7.402 5.086 18.281 1.00 0.00 C ATOM 1062 O VAL A 69 -8.598 4.824 18.154 1.00 0.00 O ATOM 1063 CB VAL A 69 -8.136 7.449 18.612 1.00 0.00 C ATOM 1064 CG1 VAL A 69 -7.680 8.811 19.111 1.00 0.00 C ATOM 1065 CG2 VAL A 69 -8.969 7.586 17.347 1.00 0.00 C ATOM 0 H VAL A 69 -6.533 6.454 16.304 1.00 0.00 H new ATOM 0 HA VAL A 69 -6.224 6.632 19.191 1.00 0.00 H new ATOM 0 HB VAL A 69 -8.760 6.997 19.383 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.550 9.446 19.282 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.129 8.691 20.044 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.034 9.274 18.365 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -9.821 8.238 17.541 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.357 8.015 16.553 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.327 6.604 17.039 1.00 0.00 H new ATOM 1075 N SER A 70 -6.460 4.152 18.356 1.00 0.00 N ATOM 1076 CA SER A 70 -6.785 2.732 18.287 1.00 0.00 C ATOM 1077 C SER A 70 -7.810 2.357 19.353 1.00 0.00 C ATOM 1078 O SER A 70 -8.606 1.437 19.168 1.00 0.00 O ATOM 1079 CB SER A 70 -5.520 1.889 18.460 1.00 0.00 C ATOM 1080 OG SER A 70 -4.713 2.390 19.511 1.00 0.00 O ATOM 0 H SER A 70 -5.466 4.353 18.465 1.00 0.00 H new ATOM 0 HA SER A 70 -7.216 2.530 17.306 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.794 0.855 18.669 1.00 0.00 H new ATOM 0 HB3 SER A 70 -4.951 1.886 17.530 1.00 0.00 H new ATOM 0 HG SER A 70 -3.912 1.833 19.602 1.00 0.00 H new ATOM 1086 N ASP A 71 -7.782 3.076 20.470 1.00 0.00 N ATOM 1087 CA ASP A 71 -8.709 2.821 21.567 1.00 0.00 C ATOM 1088 C ASP A 71 -10.150 3.053 21.126 1.00 0.00 C ATOM 1089 O ASP A 71 -11.092 2.606 21.782 1.00 0.00 O ATOM 1090 CB ASP A 71 -8.377 3.717 22.761 1.00 0.00 C ATOM 1091 CG ASP A 71 -7.688 2.959 23.880 1.00 0.00 C ATOM 1092 OD1 ASP A 71 -8.352 2.120 24.524 1.00 0.00 O ATOM 1093 OD2 ASP A 71 -6.486 3.206 24.111 1.00 0.00 O ATOM 0 H ASP A 71 -7.128 3.840 20.640 1.00 0.00 H new ATOM 0 HA ASP A 71 -8.603 1.778 21.865 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -7.736 4.534 22.431 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -9.295 4.166 23.141 1.00 0.00 H new ATOM 1098 N LEU A 72 -10.316 3.757 20.011 1.00 0.00 N ATOM 1099 CA LEU A 72 -11.644 4.050 19.482 1.00 0.00 C ATOM 1100 C LEU A 72 -11.983 3.124 18.318 1.00 0.00 C ATOM 1101 O LEU A 72 -13.132 2.711 18.154 1.00 0.00 O ATOM 1102 CB LEU A 72 -11.723 5.508 19.028 1.00 0.00 C ATOM 1103 CG LEU A 72 -11.900 6.548 20.135 1.00 0.00 C ATOM 1104 CD1 LEU A 72 -11.679 7.950 19.591 1.00 0.00 C ATOM 1105 CD2 LEU A 72 -13.281 6.428 20.763 1.00 0.00 C ATOM 0 H LEU A 72 -9.548 4.135 19.456 1.00 0.00 H new ATOM 0 HA LEU A 72 -12.370 3.884 20.278 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -10.813 5.745 18.476 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -12.554 5.605 18.329 1.00 0.00 H new ATOM 0 HG LEU A 72 -11.154 6.359 20.907 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -11.809 8.676 20.393 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -10.669 8.030 19.190 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -12.401 8.151 18.799 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -13.390 7.176 21.549 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -14.043 6.590 20.000 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -13.401 5.432 21.190 1.00 0.00 H new ATOM 1117 N LEU A 73 -10.977 2.799 17.514 1.00 0.00 N ATOM 1118 CA LEU A 73 -11.167 1.920 16.366 1.00 0.00 C ATOM 1119 C LEU A 73 -11.538 0.510 16.816 1.00 0.00 C ATOM 1120 O LEU A 73 -12.393 -0.141 16.214 1.00 0.00 O ATOM 1121 CB LEU A 73 -9.897 1.877 15.515 1.00 0.00 C ATOM 1122 CG LEU A 73 -9.134 3.196 15.383 1.00 0.00 C ATOM 1123 CD1 LEU A 73 -8.037 3.075 14.336 1.00 0.00 C ATOM 1124 CD2 LEU A 73 -10.085 4.331 15.033 1.00 0.00 C ATOM 0 H LEU A 73 -10.020 3.131 17.636 1.00 0.00 H new ATOM 0 HA LEU A 73 -11.985 2.319 15.766 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -9.224 1.132 15.939 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -10.164 1.533 14.516 1.00 0.00 H new ATOM 0 HG LEU A 73 -8.669 3.422 16.343 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.505 4.023 14.256 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.339 2.291 14.629 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.480 2.825 13.372 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -9.524 5.261 14.943 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.579 4.113 14.086 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.834 4.433 15.818 1.00 0.00 H new ATOM 1136 N THR A 74 -10.892 0.045 17.881 1.00 0.00 N ATOM 1137 CA THR A 74 -11.155 -1.286 18.413 1.00 0.00 C ATOM 1138 C THR A 74 -12.639 -1.481 18.700 1.00 0.00 C ATOM 1139 O THR A 74 -13.171 -2.580 18.551 1.00 0.00 O ATOM 1140 CB THR A 74 -10.356 -1.543 19.705 1.00 0.00 C ATOM 1141 OG1 THR A 74 -9.004 -1.098 19.541 1.00 0.00 O ATOM 1142 CG2 THR A 74 -10.368 -3.021 20.064 1.00 0.00 C ATOM 0 H THR A 74 -10.183 0.571 18.392 1.00 0.00 H new ATOM 0 HA THR A 74 -10.839 -1.998 17.651 1.00 0.00 H new ATOM 0 HB THR A 74 -10.827 -0.985 20.514 1.00 0.00 H new ATOM 0 HG1 THR A 74 -8.954 -0.134 19.710 1.00 0.00 H new ATOM 0 HG21 THR A 74 -9.798 -3.178 20.980 1.00 0.00 H new ATOM 0 HG22 THR A 74 -11.396 -3.350 20.216 1.00 0.00 H new ATOM 0 HG23 THR A 74 -9.919 -3.596 19.254 1.00 0.00 H new ATOM 1150 N ASN A 75 -13.303 -0.406 19.113 1.00 0.00 N ATOM 1151 CA ASN A 75 -14.728 -0.459 19.421 1.00 0.00 C ATOM 1152 C ASN A 75 -15.563 -0.381 18.147 1.00 0.00 C ATOM 1153 O ASN A 75 -16.716 -0.810 18.121 1.00 0.00 O ATOM 1154 CB ASN A 75 -15.109 0.682 20.365 1.00 0.00 C ATOM 1155 CG ASN A 75 -16.066 1.668 19.723 1.00 0.00 C ATOM 1156 OD1 ASN A 75 -17.243 1.367 19.521 1.00 0.00 O ATOM 1157 ND2 ASN A 75 -15.563 2.854 19.398 1.00 0.00 N ATOM 0 H ASN A 75 -12.877 0.512 19.242 1.00 0.00 H new ATOM 0 HA ASN A 75 -14.934 -1.411 19.911 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -15.566 0.269 21.264 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -14.207 1.207 20.679 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -16.158 3.559 18.963 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -14.581 3.060 19.584 1.00 0.00 H new ATOM 1164 N MET A 76 -14.972 0.168 17.091 1.00 0.00 N ATOM 1165 CA MET A 76 -15.661 0.301 15.812 1.00 0.00 C ATOM 1166 C MET A 76 -15.358 -0.888 14.906 1.00 0.00 C ATOM 1167 O MET A 76 -15.562 -0.825 13.694 1.00 0.00 O ATOM 1168 CB MET A 76 -15.251 1.602 15.120 1.00 0.00 C ATOM 1169 CG MET A 76 -15.603 2.850 15.914 1.00 0.00 C ATOM 1170 SD MET A 76 -15.280 4.369 14.999 1.00 0.00 S ATOM 1171 CE MET A 76 -13.511 4.530 15.222 1.00 0.00 C ATOM 0 H MET A 76 -14.018 0.528 17.095 1.00 0.00 H new ATOM 0 HA MET A 76 -16.733 0.324 16.006 1.00 0.00 H new ATOM 0 HB2 MET A 76 -14.176 1.586 14.942 1.00 0.00 H new ATOM 0 HB3 MET A 76 -15.735 1.653 14.145 1.00 0.00 H new ATOM 0 HG2 MET A 76 -16.657 2.814 16.191 1.00 0.00 H new ATOM 0 HG3 MET A 76 -15.030 2.860 16.841 1.00 0.00 H new ATOM 0 HE1 MET A 76 -13.211 5.558 15.020 1.00 0.00 H new ATOM 0 HE2 MET A 76 -13.248 4.270 16.247 1.00 0.00 H new ATOM 0 HE3 MET A 76 -12.995 3.860 14.534 1.00 0.00 H new ATOM 1181 N GLY A 77 -14.871 -1.973 15.502 1.00 0.00 N ATOM 1182 CA GLY A 77 -14.549 -3.160 14.733 1.00 0.00 C ATOM 1183 C GLY A 77 -13.274 -3.001 13.927 1.00 0.00 C ATOM 1184 O GLY A 77 -13.155 -3.544 12.829 1.00 0.00 O ATOM 0 H GLY A 77 -14.694 -2.050 16.504 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -14.445 -4.009 15.408 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -15.375 -3.388 14.059 1.00 0.00 H new ATOM 1188 N ILE A 78 -12.321 -2.253 14.473 1.00 0.00 N ATOM 1189 CA ILE A 78 -11.050 -2.023 13.797 1.00 0.00 C ATOM 1190 C ILE A 78 -9.883 -2.120 14.774 1.00 0.00 C ATOM 1191 O ILE A 78 -9.725 -1.275 15.655 1.00 0.00 O ATOM 1192 CB ILE A 78 -11.018 -0.644 13.112 1.00 0.00 C ATOM 1193 CG1 ILE A 78 -11.951 -0.631 11.899 1.00 0.00 C ATOM 1194 CG2 ILE A 78 -9.597 -0.292 12.698 1.00 0.00 C ATOM 1195 CD1 ILE A 78 -12.853 0.582 11.844 1.00 0.00 C ATOM 0 H ILE A 78 -12.405 -1.796 15.381 1.00 0.00 H new ATOM 0 HA ILE A 78 -10.951 -2.799 13.038 1.00 0.00 H new ATOM 0 HB ILE A 78 -11.366 0.107 13.822 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -11.352 -0.670 10.989 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -12.566 -1.531 11.914 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -9.590 0.685 12.215 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -8.957 -0.266 13.580 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -9.224 -1.043 12.002 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -13.486 0.525 10.959 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -13.478 0.611 12.736 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -12.245 1.486 11.797 1.00 0.00 H new ATOM 1207 N ASP A 79 -9.067 -3.156 14.610 1.00 0.00 N ATOM 1208 CA ASP A 79 -7.911 -3.363 15.476 1.00 0.00 C ATOM 1209 C ASP A 79 -6.634 -2.868 14.804 1.00 0.00 C ATOM 1210 O ASP A 79 -6.350 -3.212 13.656 1.00 0.00 O ATOM 1211 CB ASP A 79 -7.774 -4.843 15.833 1.00 0.00 C ATOM 1212 CG ASP A 79 -7.744 -5.077 17.331 1.00 0.00 C ATOM 1213 OD1 ASP A 79 -6.791 -4.607 17.986 1.00 0.00 O ATOM 1214 OD2 ASP A 79 -8.675 -5.729 17.847 1.00 0.00 O ATOM 0 H ASP A 79 -9.184 -3.865 13.886 1.00 0.00 H new ATOM 0 HA ASP A 79 -8.065 -2.790 16.390 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -8.606 -5.397 15.398 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -6.861 -5.238 15.388 1.00 0.00 H new ATOM 1219 N LEU A 80 -5.868 -2.058 15.526 1.00 0.00 N ATOM 1220 CA LEU A 80 -4.621 -1.514 15.000 1.00 0.00 C ATOM 1221 C LEU A 80 -3.480 -2.514 15.161 1.00 0.00 C ATOM 1222 O LEU A 80 -2.517 -2.501 14.394 1.00 0.00 O ATOM 1223 CB LEU A 80 -4.271 -0.206 15.711 1.00 0.00 C ATOM 1224 CG LEU A 80 -3.349 0.747 14.950 1.00 0.00 C ATOM 1225 CD1 LEU A 80 -1.915 0.242 14.983 1.00 0.00 C ATOM 1226 CD2 LEU A 80 -3.823 0.915 13.514 1.00 0.00 C ATOM 0 H LEU A 80 -6.088 -1.763 16.477 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.760 -1.316 13.937 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.198 0.321 15.937 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.802 -0.449 16.665 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.382 1.721 15.439 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.273 0.933 14.436 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.577 0.174 16.017 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.865 -0.743 14.519 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.155 1.597 12.988 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.820 -0.054 13.014 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.834 1.323 13.510 1.00 0.00 H new ATOM 1238 N ASP A 81 -3.596 -3.380 16.162 1.00 0.00 N ATOM 1239 CA ASP A 81 -2.576 -4.389 16.422 1.00 0.00 C ATOM 1240 C ASP A 81 -2.712 -5.561 15.455 1.00 0.00 C ATOM 1241 O ASP A 81 -1.751 -6.288 15.208 1.00 0.00 O ATOM 1242 CB ASP A 81 -2.678 -4.888 17.864 1.00 0.00 C ATOM 1243 CG ASP A 81 -1.429 -4.591 18.669 1.00 0.00 C ATOM 1244 OD1 ASP A 81 -0.326 -4.615 18.084 1.00 0.00 O ATOM 1245 OD2 ASP A 81 -1.553 -4.335 19.886 1.00 0.00 O ATOM 0 H ASP A 81 -4.386 -3.403 16.807 1.00 0.00 H new ATOM 0 HA ASP A 81 -1.599 -3.929 16.273 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.537 -4.422 18.347 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.858 -5.963 17.861 1.00 0.00 H new ATOM 1250 N GLU A 82 -3.912 -5.737 14.911 1.00 0.00 N ATOM 1251 CA GLU A 82 -4.174 -6.822 13.972 1.00 0.00 C ATOM 1252 C GLU A 82 -3.861 -6.391 12.542 1.00 0.00 C ATOM 1253 O GLU A 82 -3.479 -7.209 11.706 1.00 0.00 O ATOM 1254 CB GLU A 82 -5.632 -7.273 14.073 1.00 0.00 C ATOM 1255 CG GLU A 82 -6.573 -6.498 13.167 1.00 0.00 C ATOM 1256 CD GLU A 82 -8.033 -6.802 13.444 1.00 0.00 C ATOM 1257 OE1 GLU A 82 -8.306 -7.764 14.192 1.00 0.00 O ATOM 1258 OE2 GLU A 82 -8.901 -6.078 12.915 1.00 0.00 O ATOM 0 H GLU A 82 -4.718 -5.143 15.104 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.524 -7.658 14.232 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -5.694 -8.333 13.825 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.966 -7.167 15.105 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.398 -5.430 13.296 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.347 -6.735 12.127 1.00 0.00 H new ATOM 1265 N TRP A 83 -4.026 -5.101 12.270 1.00 0.00 N ATOM 1266 CA TRP A 83 -3.762 -4.561 10.941 1.00 0.00 C ATOM 1267 C TRP A 83 -2.317 -4.817 10.526 1.00 0.00 C ATOM 1268 O TRP A 83 -2.006 -4.885 9.337 1.00 0.00 O ATOM 1269 CB TRP A 83 -4.055 -3.060 10.911 1.00 0.00 C ATOM 1270 CG TRP A 83 -5.502 -2.742 10.681 1.00 0.00 C ATOM 1271 CD1 TRP A 83 -6.561 -3.593 10.824 1.00 0.00 C ATOM 1272 CD2 TRP A 83 -6.048 -1.485 10.266 1.00 0.00 C ATOM 1273 NE1 TRP A 83 -7.732 -2.940 10.522 1.00 0.00 N ATOM 1274 CE2 TRP A 83 -7.444 -1.646 10.178 1.00 0.00 C ATOM 1275 CE3 TRP A 83 -5.493 -0.239 9.962 1.00 0.00 C ATOM 1276 CZ2 TRP A 83 -8.290 -0.608 9.798 1.00 0.00 C ATOM 1277 CZ3 TRP A 83 -6.334 0.790 9.584 1.00 0.00 C ATOM 1278 CH2 TRP A 83 -7.720 0.601 9.506 1.00 0.00 C ATOM 0 H TRP A 83 -4.341 -4.410 12.951 1.00 0.00 H new ATOM 0 HA TRP A 83 -4.419 -5.067 10.234 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.738 -2.616 11.855 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -3.459 -2.596 10.125 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -6.489 -4.626 11.129 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -8.665 -3.352 10.550 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -4.426 -0.083 10.021 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -9.359 -0.752 9.736 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -5.916 1.757 9.345 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -8.351 1.426 9.210 1.00 0.00 H new ATOM 1289 N SER A 84 -1.439 -4.959 11.513 1.00 0.00 N ATOM 1290 CA SER A 84 -0.026 -5.205 11.250 1.00 0.00 C ATOM 1291 C SER A 84 0.247 -6.699 11.101 1.00 0.00 C ATOM 1292 O SER A 84 1.217 -7.104 10.460 1.00 0.00 O ATOM 1293 CB SER A 84 0.833 -4.628 12.377 1.00 0.00 C ATOM 1294 OG SER A 84 0.176 -4.741 13.627 1.00 0.00 O ATOM 0 H SER A 84 -1.681 -4.908 12.503 1.00 0.00 H new ATOM 0 HA SER A 84 0.235 -4.710 10.314 1.00 0.00 H new ATOM 0 HB2 SER A 84 1.788 -5.152 12.416 1.00 0.00 H new ATOM 0 HB3 SER A 84 1.053 -3.580 12.171 1.00 0.00 H new ATOM 0 HG SER A 84 0.746 -4.367 14.331 1.00 0.00 H new ATOM 1300 N VAL A 85 -0.616 -7.514 11.699 1.00 0.00 N ATOM 1301 CA VAL A 85 -0.470 -8.963 11.633 1.00 0.00 C ATOM 1302 C VAL A 85 -1.643 -9.601 10.898 1.00 0.00 C ATOM 1303 O VAL A 85 -2.129 -10.663 11.286 1.00 0.00 O ATOM 1304 CB VAL A 85 -0.363 -9.581 13.040 1.00 0.00 C ATOM 1305 CG1 VAL A 85 0.835 -9.011 13.784 1.00 0.00 C ATOM 1306 CG2 VAL A 85 -1.646 -9.349 13.822 1.00 0.00 C ATOM 0 H VAL A 85 -1.423 -7.195 12.235 1.00 0.00 H new ATOM 0 HA VAL A 85 0.451 -9.163 11.085 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.217 -10.656 12.936 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.894 -9.459 14.776 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.747 -9.234 13.230 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.723 -7.931 13.880 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.553 -9.792 14.814 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.825 -8.278 13.918 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.482 -9.810 13.295 1.00 0.00 H new ATOM 1316 N ALA A 86 -2.093 -8.946 9.832 1.00 0.00 N ATOM 1317 CA ALA A 86 -3.208 -9.451 9.041 1.00 0.00 C ATOM 1318 C ALA A 86 -2.767 -9.781 7.619 1.00 0.00 C ATOM 1319 O ALA A 86 -1.601 -9.607 7.263 1.00 0.00 O ATOM 1320 CB ALA A 86 -4.343 -8.436 9.020 1.00 0.00 C ATOM 0 H ALA A 86 -1.702 -8.065 9.497 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.564 -10.370 9.506 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.169 -8.826 8.426 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.684 -8.251 10.038 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -3.989 -7.503 8.581 1.00 0.00 H new ATOM 1326 N THR A 87 -3.706 -10.261 6.809 1.00 0.00 N ATOM 1327 CA THR A 87 -3.413 -10.619 5.427 1.00 0.00 C ATOM 1328 C THR A 87 -3.972 -9.580 4.460 1.00 0.00 C ATOM 1329 O THR A 87 -5.149 -9.620 4.104 1.00 0.00 O ATOM 1330 CB THR A 87 -3.992 -12.000 5.069 1.00 0.00 C ATOM 1331 OG1 THR A 87 -3.817 -12.904 6.166 1.00 0.00 O ATOM 1332 CG2 THR A 87 -3.318 -12.565 3.828 1.00 0.00 C ATOM 0 H THR A 87 -4.676 -10.411 7.087 1.00 0.00 H new ATOM 0 HA THR A 87 -2.328 -10.653 5.333 1.00 0.00 H new ATOM 0 HB THR A 87 -5.056 -11.881 4.863 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.189 -13.780 5.931 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.744 -13.541 3.595 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.478 -11.889 2.988 1.00 0.00 H new ATOM 0 HG23 THR A 87 -2.249 -12.670 4.011 1.00 0.00 H new ATOM 1340 N PHE A 88 -3.119 -8.652 4.039 1.00 0.00 N ATOM 1341 CA PHE A 88 -3.528 -7.602 3.113 1.00 0.00 C ATOM 1342 C PHE A 88 -3.298 -8.032 1.667 1.00 0.00 C ATOM 1343 O PHE A 88 -2.158 -8.139 1.214 1.00 0.00 O ATOM 1344 CB PHE A 88 -2.760 -6.311 3.402 1.00 0.00 C ATOM 1345 CG PHE A 88 -3.413 -5.445 4.442 1.00 0.00 C ATOM 1346 CD1 PHE A 88 -3.946 -6.004 5.592 1.00 0.00 C ATOM 1347 CD2 PHE A 88 -3.492 -4.073 4.270 1.00 0.00 C ATOM 1348 CE1 PHE A 88 -4.547 -5.210 6.550 1.00 0.00 C ATOM 1349 CE2 PHE A 88 -4.092 -3.274 5.225 1.00 0.00 C ATOM 1350 CZ PHE A 88 -4.619 -3.843 6.367 1.00 0.00 C ATOM 0 H PHE A 88 -2.141 -8.606 4.324 1.00 0.00 H new ATOM 0 HA PHE A 88 -4.594 -7.422 3.254 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -1.752 -6.563 3.731 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -2.660 -5.742 2.478 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -3.891 -7.072 5.741 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -3.080 -3.622 3.379 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -4.960 -5.658 7.441 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -4.148 -2.206 5.078 1.00 0.00 H new ATOM 0 HZ PHE A 88 -5.087 -3.221 7.116 1.00 0.00 H new ATOM 1360 N TYR A 89 -4.388 -8.277 0.948 1.00 0.00 N ATOM 1361 CA TYR A 89 -4.305 -8.698 -0.445 1.00 0.00 C ATOM 1362 C TYR A 89 -4.355 -7.495 -1.382 1.00 0.00 C ATOM 1363 O TYR A 89 -4.783 -6.407 -0.992 1.00 0.00 O ATOM 1364 CB TYR A 89 -5.445 -9.664 -0.776 1.00 0.00 C ATOM 1365 CG TYR A 89 -5.383 -10.961 -0.001 1.00 0.00 C ATOM 1366 CD1 TYR A 89 -4.635 -12.036 -0.466 1.00 0.00 C ATOM 1367 CD2 TYR A 89 -6.072 -11.111 1.196 1.00 0.00 C ATOM 1368 CE1 TYR A 89 -4.577 -13.223 0.238 1.00 0.00 C ATOM 1369 CE2 TYR A 89 -6.019 -12.294 1.908 1.00 0.00 C ATOM 1370 CZ TYR A 89 -5.270 -13.347 1.425 1.00 0.00 C ATOM 1371 OH TYR A 89 -5.214 -14.527 2.130 1.00 0.00 O ATOM 0 H TYR A 89 -5.339 -8.191 1.307 1.00 0.00 H new ATOM 0 HA TYR A 89 -3.352 -9.207 -0.588 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.397 -9.173 -0.572 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.424 -9.886 -1.843 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -4.090 -11.942 -1.394 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -6.659 -10.289 1.577 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -3.993 -14.050 -0.138 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -6.561 -12.394 2.837 1.00 0.00 H new ATOM 0 HH TYR A 89 -5.756 -14.449 2.943 1.00 0.00 H new ATOM 1381 N LEU A 90 -3.916 -7.698 -2.619 1.00 0.00 N ATOM 1382 CA LEU A 90 -3.910 -6.631 -3.613 1.00 0.00 C ATOM 1383 C LEU A 90 -4.326 -7.160 -4.982 1.00 0.00 C ATOM 1384 O LEU A 90 -3.883 -8.227 -5.408 1.00 0.00 O ATOM 1385 CB LEU A 90 -2.521 -5.995 -3.701 1.00 0.00 C ATOM 1386 CG LEU A 90 -1.882 -5.594 -2.371 1.00 0.00 C ATOM 1387 CD1 LEU A 90 -0.678 -6.473 -2.071 1.00 0.00 C ATOM 1388 CD2 LEU A 90 -1.481 -4.126 -2.393 1.00 0.00 C ATOM 0 H LEU A 90 -3.560 -8.592 -2.958 1.00 0.00 H new ATOM 0 HA LEU A 90 -4.630 -5.874 -3.301 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.854 -6.694 -4.205 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -2.589 -5.108 -4.331 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.617 -5.737 -1.579 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.236 -6.173 -1.121 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -0.994 -7.515 -2.012 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.060 -6.362 -2.865 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -1.028 -3.858 -1.438 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.763 -3.957 -3.196 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.364 -3.510 -2.561 1.00 0.00 H new ATOM 1400 N PHE A 91 -5.179 -6.406 -5.668 1.00 0.00 N ATOM 1401 CA PHE A 91 -5.654 -6.799 -6.989 1.00 0.00 C ATOM 1402 C PHE A 91 -5.348 -5.717 -8.021 1.00 0.00 C ATOM 1403 O PHE A 91 -4.812 -4.660 -7.687 1.00 0.00 O ATOM 1404 CB PHE A 91 -7.159 -7.073 -6.953 1.00 0.00 C ATOM 1405 CG PHE A 91 -7.500 -8.514 -6.704 1.00 0.00 C ATOM 1406 CD1 PHE A 91 -7.221 -9.480 -7.657 1.00 0.00 C ATOM 1407 CD2 PHE A 91 -8.101 -8.902 -5.517 1.00 0.00 C ATOM 1408 CE1 PHE A 91 -7.533 -10.808 -7.430 1.00 0.00 C ATOM 1409 CE2 PHE A 91 -8.415 -10.228 -5.285 1.00 0.00 C ATOM 1410 CZ PHE A 91 -8.132 -11.182 -6.243 1.00 0.00 C ATOM 0 H PHE A 91 -5.555 -5.520 -5.331 1.00 0.00 H new ATOM 0 HA PHE A 91 -5.132 -7.711 -7.278 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -7.613 -6.461 -6.174 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -7.600 -6.762 -7.900 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -6.755 -9.193 -8.588 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -8.326 -8.160 -4.765 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -7.309 -11.552 -8.180 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.881 -10.518 -4.355 1.00 0.00 H new ATOM 0 HZ PHE A 91 -8.379 -12.218 -6.064 1.00 0.00 H new ATOM 1420 N ASP A 92 -5.691 -5.989 -9.275 1.00 0.00 N ATOM 1421 CA ASP A 92 -5.454 -5.040 -10.356 1.00 0.00 C ATOM 1422 C ASP A 92 -6.772 -4.507 -10.910 1.00 0.00 C ATOM 1423 O ASP A 92 -7.830 -4.691 -10.308 1.00 0.00 O ATOM 1424 CB ASP A 92 -4.647 -5.701 -11.475 1.00 0.00 C ATOM 1425 CG ASP A 92 -3.475 -4.849 -11.924 1.00 0.00 C ATOM 1426 OD1 ASP A 92 -2.460 -4.809 -11.199 1.00 0.00 O ATOM 1427 OD2 ASP A 92 -3.575 -4.222 -13.000 1.00 0.00 O ATOM 0 H ASP A 92 -6.134 -6.860 -9.568 1.00 0.00 H new ATOM 0 HA ASP A 92 -4.885 -4.202 -9.953 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -4.279 -6.668 -11.132 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -5.300 -5.893 -12.326 1.00 0.00 H new ATOM 1432 N ASP A 93 -6.699 -3.843 -12.059 1.00 0.00 N ATOM 1433 CA ASP A 93 -7.886 -3.283 -12.694 1.00 0.00 C ATOM 1434 C ASP A 93 -8.641 -4.353 -13.477 1.00 0.00 C ATOM 1435 O ASP A 93 -9.672 -4.076 -14.089 1.00 0.00 O ATOM 1436 CB ASP A 93 -7.498 -2.132 -13.623 1.00 0.00 C ATOM 1437 CG ASP A 93 -6.808 -2.613 -14.884 1.00 0.00 C ATOM 1438 OD1 ASP A 93 -5.567 -2.753 -14.865 1.00 0.00 O ATOM 1439 OD2 ASP A 93 -7.509 -2.850 -15.891 1.00 0.00 O ATOM 0 H ASP A 93 -5.831 -3.680 -12.569 1.00 0.00 H new ATOM 0 HA ASP A 93 -8.541 -2.903 -11.910 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -8.392 -1.570 -13.893 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -6.839 -1.446 -13.091 1.00 0.00 H new ATOM 1444 N ALA A 94 -8.119 -5.575 -13.453 1.00 0.00 N ATOM 1445 CA ALA A 94 -8.743 -6.686 -14.159 1.00 0.00 C ATOM 1446 C ALA A 94 -9.080 -7.825 -13.203 1.00 0.00 C ATOM 1447 O ALA A 94 -9.595 -8.863 -13.615 1.00 0.00 O ATOM 1448 CB ALA A 94 -7.833 -7.182 -15.273 1.00 0.00 C ATOM 0 H ALA A 94 -7.265 -5.820 -12.952 1.00 0.00 H new ATOM 0 HA ALA A 94 -9.674 -6.327 -14.598 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -8.312 -8.012 -15.792 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -7.647 -6.372 -15.978 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -6.887 -7.517 -14.848 1.00 0.00 H new ATOM 1454 N GLY A 95 -8.785 -7.623 -11.922 1.00 0.00 N ATOM 1455 CA GLY A 95 -9.062 -8.642 -10.927 1.00 0.00 C ATOM 1456 C GLY A 95 -7.947 -9.662 -10.815 1.00 0.00 C ATOM 1457 O GLY A 95 -8.195 -10.835 -10.538 1.00 0.00 O ATOM 0 H GLY A 95 -8.359 -6.772 -11.556 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -9.214 -8.167 -9.958 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -9.991 -9.151 -11.182 1.00 0.00 H new ATOM 1461 N GLU A 96 -6.714 -9.214 -11.031 1.00 0.00 N ATOM 1462 CA GLU A 96 -5.556 -10.098 -10.954 1.00 0.00 C ATOM 1463 C GLU A 96 -4.565 -9.606 -9.904 1.00 0.00 C ATOM 1464 O GLU A 96 -4.441 -8.405 -9.667 1.00 0.00 O ATOM 1465 CB GLU A 96 -4.868 -10.192 -12.317 1.00 0.00 C ATOM 1466 CG GLU A 96 -4.532 -8.840 -12.924 1.00 0.00 C ATOM 1467 CD GLU A 96 -4.240 -8.924 -14.410 1.00 0.00 C ATOM 1468 OE1 GLU A 96 -4.474 -9.999 -15.000 1.00 0.00 O ATOM 1469 OE2 GLU A 96 -3.779 -7.915 -14.982 1.00 0.00 O ATOM 0 H GLU A 96 -6.491 -8.245 -11.260 1.00 0.00 H new ATOM 0 HA GLU A 96 -5.905 -11.088 -10.662 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -3.951 -10.772 -12.212 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.514 -10.739 -13.004 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.364 -8.155 -12.759 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -3.667 -8.420 -12.411 1.00 0.00 H new ATOM 1476 N GLU A 97 -3.861 -10.544 -9.277 1.00 0.00 N ATOM 1477 CA GLU A 97 -2.882 -10.206 -8.251 1.00 0.00 C ATOM 1478 C GLU A 97 -1.562 -9.770 -8.882 1.00 0.00 C ATOM 1479 O GLU A 97 -0.586 -10.518 -8.883 1.00 0.00 O ATOM 1480 CB GLU A 97 -2.647 -11.401 -7.325 1.00 0.00 C ATOM 1481 CG GLU A 97 -2.180 -11.010 -5.933 1.00 0.00 C ATOM 1482 CD GLU A 97 -2.825 -11.846 -4.845 1.00 0.00 C ATOM 1483 OE1 GLU A 97 -4.043 -12.106 -4.939 1.00 0.00 O ATOM 1484 OE2 GLU A 97 -2.111 -12.241 -3.900 1.00 0.00 O ATOM 0 H GLU A 97 -3.951 -11.543 -9.462 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.278 -9.375 -7.667 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -3.571 -11.973 -7.242 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -1.905 -12.059 -7.776 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -1.097 -11.117 -5.874 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -2.407 -9.958 -5.760 1.00 0.00 H new ATOM 1491 N ASN A 98 -1.542 -8.554 -9.417 1.00 0.00 N ATOM 1492 CA ASN A 98 -0.343 -8.017 -10.052 1.00 0.00 C ATOM 1493 C ASN A 98 0.083 -6.709 -9.393 1.00 0.00 C ATOM 1494 O ASN A 98 -0.528 -6.263 -8.421 1.00 0.00 O ATOM 1495 CB ASN A 98 -0.589 -7.793 -11.545 1.00 0.00 C ATOM 1496 CG ASN A 98 -0.645 -9.093 -12.324 1.00 0.00 C ATOM 1497 OD1 ASN A 98 -1.506 -9.141 -13.333 1.00 0.00 O flip ATOM 1498 ND2 ASN A 98 0.079 -10.042 -12.022 1.00 0.00 N flip ATOM 0 H ASN A 98 -2.342 -7.921 -9.424 1.00 0.00 H new ATOM 0 HA ASN A 98 0.460 -8.743 -9.928 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -1.526 -7.252 -11.679 1.00 0.00 H new ATOM 0 HB3 ASN A 98 0.203 -7.164 -11.950 1.00 0.00 H new ATOM 0 HD21 ASN A 98 0.726 -9.960 -11.238 1.00 0.00 H new ATOM 0 HD22 ASN A 98 0.031 -10.910 -12.556 1.00 0.00 H new ATOM 1505 N PHE A 99 1.134 -6.098 -9.928 1.00 0.00 N ATOM 1506 CA PHE A 99 1.643 -4.841 -9.392 1.00 0.00 C ATOM 1507 C PHE A 99 1.569 -3.734 -10.439 1.00 0.00 C ATOM 1508 O PHE A 99 2.586 -3.152 -10.816 1.00 0.00 O ATOM 1509 CB PHE A 99 3.087 -5.012 -8.915 1.00 0.00 C ATOM 1510 CG PHE A 99 3.940 -5.808 -9.861 1.00 0.00 C ATOM 1511 CD1 PHE A 99 3.986 -7.190 -9.777 1.00 0.00 C ATOM 1512 CD2 PHE A 99 4.695 -5.173 -10.834 1.00 0.00 C ATOM 1513 CE1 PHE A 99 4.771 -7.924 -10.646 1.00 0.00 C ATOM 1514 CE2 PHE A 99 5.482 -5.903 -11.706 1.00 0.00 C ATOM 1515 CZ PHE A 99 5.519 -7.280 -11.612 1.00 0.00 C ATOM 0 H PHE A 99 1.650 -6.453 -10.733 1.00 0.00 H new ATOM 0 HA PHE A 99 1.019 -4.558 -8.544 1.00 0.00 H new ATOM 0 HB2 PHE A 99 3.534 -4.028 -8.776 1.00 0.00 H new ATOM 0 HB3 PHE A 99 3.084 -5.502 -7.941 1.00 0.00 H new ATOM 0 HD1 PHE A 99 3.402 -7.699 -9.024 1.00 0.00 H new ATOM 0 HD2 PHE A 99 4.669 -4.096 -10.912 1.00 0.00 H new ATOM 0 HE1 PHE A 99 4.799 -9.001 -10.570 1.00 0.00 H new ATOM 0 HE2 PHE A 99 6.067 -5.397 -12.460 1.00 0.00 H new ATOM 0 HZ PHE A 99 6.132 -7.852 -12.293 1.00 0.00 H new ATOM 1525 N SER A 100 0.357 -3.448 -10.906 1.00 0.00 N ATOM 1526 CA SER A 100 0.150 -2.415 -11.913 1.00 0.00 C ATOM 1527 C SER A 100 0.155 -1.028 -11.277 1.00 0.00 C ATOM 1528 O SER A 100 0.230 -0.893 -10.056 1.00 0.00 O ATOM 1529 CB SER A 100 -1.171 -2.646 -12.648 1.00 0.00 C ATOM 1530 OG SER A 100 -2.276 -2.297 -11.833 1.00 0.00 O ATOM 0 H SER A 100 -0.496 -3.918 -10.602 1.00 0.00 H new ATOM 0 HA SER A 100 0.970 -2.471 -12.629 1.00 0.00 H new ATOM 0 HB2 SER A 100 -1.189 -2.055 -13.564 1.00 0.00 H new ATOM 0 HB3 SER A 100 -1.249 -3.693 -12.943 1.00 0.00 H new ATOM 0 HG SER A 100 -3.106 -2.591 -12.263 1.00 0.00 H new ATOM 1536 N SER A 101 0.074 0.001 -12.115 1.00 0.00 N ATOM 1537 CA SER A 101 0.073 1.378 -11.636 1.00 0.00 C ATOM 1538 C SER A 101 -0.980 1.575 -10.550 1.00 0.00 C ATOM 1539 O SER A 101 -0.751 2.284 -9.570 1.00 0.00 O ATOM 1540 CB SER A 101 -0.187 2.343 -12.795 1.00 0.00 C ATOM 1541 OG SER A 101 0.762 3.395 -12.805 1.00 0.00 O ATOM 0 H SER A 101 0.008 -0.093 -13.129 1.00 0.00 H new ATOM 0 HA SER A 101 1.054 1.589 -11.209 1.00 0.00 H new ATOM 0 HB2 SER A 101 -0.144 1.801 -13.740 1.00 0.00 H new ATOM 0 HB3 SER A 101 -1.192 2.756 -12.710 1.00 0.00 H new ATOM 0 HG SER A 101 0.575 3.997 -13.556 1.00 0.00 H new ATOM 1547 N ARG A 102 -2.134 0.942 -10.732 1.00 0.00 N ATOM 1548 CA ARG A 102 -3.223 1.048 -9.769 1.00 0.00 C ATOM 1549 C ARG A 102 -3.690 -0.334 -9.322 1.00 0.00 C ATOM 1550 O ARG A 102 -4.183 -1.124 -10.128 1.00 0.00 O ATOM 1551 CB ARG A 102 -4.395 1.823 -10.375 1.00 0.00 C ATOM 1552 CG ARG A 102 -5.579 1.971 -9.433 1.00 0.00 C ATOM 1553 CD ARG A 102 -5.644 3.369 -8.837 1.00 0.00 C ATOM 1554 NE ARG A 102 -6.047 4.367 -9.824 1.00 0.00 N ATOM 1555 CZ ARG A 102 -7.294 4.508 -10.260 1.00 0.00 C ATOM 1556 NH1 ARG A 102 -8.255 3.719 -9.798 1.00 0.00 N ATOM 1557 NH2 ARG A 102 -7.583 5.439 -11.160 1.00 0.00 N ATOM 0 H ARG A 102 -2.339 0.350 -11.537 1.00 0.00 H new ATOM 0 HA ARG A 102 -2.852 1.587 -8.897 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -4.050 2.814 -10.670 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -4.724 1.316 -11.282 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -6.503 1.760 -9.972 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -5.502 1.236 -8.632 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -6.349 3.376 -8.006 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -4.669 3.635 -8.430 1.00 0.00 H new ATOM 0 HE ARG A 102 -5.332 4.990 -10.199 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -8.037 3.002 -9.106 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -9.212 3.830 -10.135 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -6.847 6.048 -11.518 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -8.541 5.546 -11.494 1.00 0.00 H new ATOM 1571 N MET A 103 -3.531 -0.620 -8.034 1.00 0.00 N ATOM 1572 CA MET A 103 -3.937 -1.906 -7.481 1.00 0.00 C ATOM 1573 C MET A 103 -4.791 -1.716 -6.231 1.00 0.00 C ATOM 1574 O MET A 103 -4.412 -0.987 -5.314 1.00 0.00 O ATOM 1575 CB MET A 103 -2.708 -2.753 -7.148 1.00 0.00 C ATOM 1576 CG MET A 103 -1.543 -1.945 -6.599 1.00 0.00 C ATOM 1577 SD MET A 103 -0.559 -2.868 -5.403 1.00 0.00 S ATOM 1578 CE MET A 103 0.925 -3.183 -6.356 1.00 0.00 C ATOM 0 H MET A 103 -3.124 0.022 -7.354 1.00 0.00 H new ATOM 0 HA MET A 103 -4.534 -2.423 -8.232 1.00 0.00 H new ATOM 0 HB2 MET A 103 -2.988 -3.513 -6.419 1.00 0.00 H new ATOM 0 HB3 MET A 103 -2.384 -3.277 -8.047 1.00 0.00 H new ATOM 0 HG2 MET A 103 -0.904 -1.630 -7.424 1.00 0.00 H new ATOM 0 HG3 MET A 103 -1.924 -1.039 -6.128 1.00 0.00 H new ATOM 0 HE1 MET A 103 1.049 -4.257 -6.493 1.00 0.00 H new ATOM 0 HE2 MET A 103 0.841 -2.701 -7.330 1.00 0.00 H new ATOM 0 HE3 MET A 103 1.789 -2.783 -5.826 1.00 0.00 H new ATOM 1588 N TYR A 104 -5.944 -2.375 -6.202 1.00 0.00 N ATOM 1589 CA TYR A 104 -6.853 -2.275 -5.066 1.00 0.00 C ATOM 1590 C TYR A 104 -6.392 -3.170 -3.920 1.00 0.00 C ATOM 1591 O TYR A 104 -6.129 -4.358 -4.112 1.00 0.00 O ATOM 1592 CB TYR A 104 -8.273 -2.658 -5.487 1.00 0.00 C ATOM 1593 CG TYR A 104 -8.829 -1.794 -6.597 1.00 0.00 C ATOM 1594 CD1 TYR A 104 -9.325 -0.524 -6.334 1.00 0.00 C ATOM 1595 CD2 TYR A 104 -8.856 -2.249 -7.910 1.00 0.00 C ATOM 1596 CE1 TYR A 104 -9.835 0.268 -7.345 1.00 0.00 C ATOM 1597 CE2 TYR A 104 -9.362 -1.464 -8.928 1.00 0.00 C ATOM 1598 CZ TYR A 104 -9.851 -0.206 -8.640 1.00 0.00 C ATOM 1599 OH TYR A 104 -10.356 0.580 -9.650 1.00 0.00 O ATOM 0 H TYR A 104 -6.271 -2.984 -6.952 1.00 0.00 H new ATOM 0 HA TYR A 104 -6.850 -1.241 -4.720 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -8.279 -3.699 -5.810 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -8.931 -2.590 -4.621 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -9.312 -0.149 -5.321 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -8.475 -3.233 -8.138 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -10.219 1.253 -7.122 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -9.375 -1.833 -9.943 1.00 0.00 H new ATOM 0 HH TYR A 104 -10.293 0.099 -10.501 1.00 0.00 H new ATOM 1609 N CYS A 105 -6.297 -2.591 -2.728 1.00 0.00 N ATOM 1610 CA CYS A 105 -5.868 -3.335 -1.549 1.00 0.00 C ATOM 1611 C CYS A 105 -7.066 -3.755 -0.705 1.00 0.00 C ATOM 1612 O CYS A 105 -7.663 -2.937 -0.005 1.00 0.00 O ATOM 1613 CB CYS A 105 -4.908 -2.491 -0.709 1.00 0.00 C ATOM 1614 SG CYS A 105 -4.331 -3.307 0.797 1.00 0.00 S ATOM 0 H CYS A 105 -6.511 -1.609 -2.553 1.00 0.00 H new ATOM 0 HA CYS A 105 -5.351 -4.234 -1.886 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -4.045 -2.227 -1.320 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -5.404 -1.559 -0.437 1.00 0.00 H new ATOM 0 HG CYS A 105 -3.524 -2.515 1.438 1.00 0.00 H new ATOM 1620 N SER A 106 -7.415 -5.035 -0.778 1.00 0.00 N ATOM 1621 CA SER A 106 -8.547 -5.563 -0.024 1.00 0.00 C ATOM 1622 C SER A 106 -8.070 -6.439 1.131 1.00 0.00 C ATOM 1623 O SER A 106 -6.898 -6.811 1.200 1.00 0.00 O ATOM 1624 CB SER A 106 -9.467 -6.369 -0.943 1.00 0.00 C ATOM 1625 OG SER A 106 -9.404 -5.891 -2.276 1.00 0.00 O ATOM 0 H SER A 106 -6.931 -5.726 -1.351 1.00 0.00 H new ATOM 0 HA SER A 106 -9.103 -4.720 0.387 1.00 0.00 H new ATOM 0 HB2 SER A 106 -9.182 -7.421 -0.917 1.00 0.00 H new ATOM 0 HB3 SER A 106 -10.493 -6.308 -0.580 1.00 0.00 H new ATOM 0 HG SER A 106 -10.150 -5.276 -2.439 1.00 0.00 H new ATOM 1631 N PHE A 107 -8.986 -6.763 2.037 1.00 0.00 N ATOM 1632 CA PHE A 107 -8.660 -7.593 3.191 1.00 0.00 C ATOM 1633 C PHE A 107 -8.958 -9.062 2.905 1.00 0.00 C ATOM 1634 O PHE A 107 -8.172 -9.945 3.251 1.00 0.00 O ATOM 1635 CB PHE A 107 -9.449 -7.130 4.418 1.00 0.00 C ATOM 1636 CG PHE A 107 -8.636 -7.113 5.681 1.00 0.00 C ATOM 1637 CD1 PHE A 107 -8.214 -8.297 6.265 1.00 0.00 C ATOM 1638 CD2 PHE A 107 -8.294 -5.913 6.284 1.00 0.00 C ATOM 1639 CE1 PHE A 107 -7.467 -8.283 7.428 1.00 0.00 C ATOM 1640 CE2 PHE A 107 -7.547 -5.894 7.446 1.00 0.00 C ATOM 1641 CZ PHE A 107 -7.132 -7.080 8.019 1.00 0.00 C ATOM 0 H PHE A 107 -9.960 -6.464 1.995 1.00 0.00 H new ATOM 0 HA PHE A 107 -7.594 -7.489 3.393 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -9.839 -6.129 4.233 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -10.308 -7.786 4.557 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -8.471 -9.240 5.807 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -8.615 -4.982 5.840 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -7.145 -9.212 7.875 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -7.288 -4.952 7.906 1.00 0.00 H new ATOM 0 HZ PHE A 107 -6.547 -7.067 8.927 1.00 0.00 H new ATOM 1651 N TYR A 108 -10.098 -9.316 2.272 1.00 0.00 N ATOM 1652 CA TYR A 108 -10.502 -10.678 1.942 1.00 0.00 C ATOM 1653 C TYR A 108 -9.567 -11.286 0.901 1.00 0.00 C ATOM 1654 O TYR A 108 -8.934 -10.585 0.112 1.00 0.00 O ATOM 1655 CB TYR A 108 -11.940 -10.693 1.423 1.00 0.00 C ATOM 1656 CG TYR A 108 -12.108 -10.011 0.084 1.00 0.00 C ATOM 1657 CD1 TYR A 108 -12.180 -8.626 -0.007 1.00 0.00 C ATOM 1658 CD2 TYR A 108 -12.197 -10.750 -1.089 1.00 0.00 C ATOM 1659 CE1 TYR A 108 -12.334 -7.997 -1.227 1.00 0.00 C ATOM 1660 CE2 TYR A 108 -12.349 -10.130 -2.314 1.00 0.00 C ATOM 1661 CZ TYR A 108 -12.418 -8.753 -2.378 1.00 0.00 C ATOM 1662 OH TYR A 108 -12.572 -8.132 -3.596 1.00 0.00 O ATOM 0 H TYR A 108 -10.759 -8.597 1.977 1.00 0.00 H new ATOM 0 HA TYR A 108 -10.444 -11.278 2.850 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -12.276 -11.726 1.340 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -12.586 -10.205 2.153 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -12.114 -8.031 0.892 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -12.146 -11.828 -1.042 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -12.388 -6.920 -1.280 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -12.413 -10.719 -3.217 1.00 0.00 H new ATOM 0 HH TYR A 108 -12.613 -8.808 -4.305 1.00 0.00 H new ATOM 1672 N PRO A 109 -9.477 -12.625 0.899 1.00 0.00 N ATOM 1673 CA PRO A 109 -8.624 -13.359 -0.040 1.00 0.00 C ATOM 1674 C PRO A 109 -9.145 -13.293 -1.471 1.00 0.00 C ATOM 1675 O PRO A 109 -10.274 -12.875 -1.728 1.00 0.00 O ATOM 1676 CB PRO A 109 -8.677 -14.797 0.483 1.00 0.00 C ATOM 1677 CG PRO A 109 -9.970 -14.885 1.216 1.00 0.00 C ATOM 1678 CD PRO A 109 -10.203 -13.524 1.811 1.00 0.00 C ATOM 0 HA PRO A 109 -7.617 -12.944 -0.086 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -8.635 -15.517 -0.334 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -7.834 -15.011 1.140 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -10.782 -15.161 0.543 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -9.927 -15.648 1.993 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -11.265 -13.281 1.854 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -9.819 -13.459 2.829 1.00 0.00 H new ATOM 1686 N PRO A 110 -8.305 -13.715 -2.428 1.00 0.00 N ATOM 1687 CA PRO A 110 -8.661 -13.715 -3.850 1.00 0.00 C ATOM 1688 C PRO A 110 -9.721 -14.758 -4.183 1.00 0.00 C ATOM 1689 O PRO A 110 -10.723 -14.455 -4.832 1.00 0.00 O ATOM 1690 CB PRO A 110 -7.340 -14.053 -4.546 1.00 0.00 C ATOM 1691 CG PRO A 110 -6.558 -14.807 -3.527 1.00 0.00 C ATOM 1692 CD PRO A 110 -6.944 -14.227 -2.195 1.00 0.00 C ATOM 0 HA PRO A 110 -9.092 -12.764 -4.162 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -7.506 -14.653 -5.441 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -6.815 -13.151 -4.860 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -6.786 -15.872 -3.570 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -5.487 -14.703 -3.702 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.928 -14.981 -1.408 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -6.263 -13.433 -1.890 1.00 0.00 H new ATOM 1700 N ASP A 111 -9.495 -15.988 -3.735 1.00 0.00 N ATOM 1701 CA ASP A 111 -10.432 -17.077 -3.985 1.00 0.00 C ATOM 1702 C ASP A 111 -9.910 -18.388 -3.404 1.00 0.00 C ATOM 1703 O ASP A 111 -10.684 -19.226 -2.945 1.00 0.00 O ATOM 1704 CB ASP A 111 -10.680 -17.233 -5.486 1.00 0.00 C ATOM 1705 CG ASP A 111 -12.087 -16.836 -5.885 1.00 0.00 C ATOM 1706 OD1 ASP A 111 -13.046 -17.397 -5.314 1.00 0.00 O ATOM 1707 OD2 ASP A 111 -12.231 -15.965 -6.769 1.00 0.00 O ATOM 0 H ASP A 111 -8.671 -16.256 -3.197 1.00 0.00 H new ATOM 0 HA ASP A 111 -11.373 -16.832 -3.494 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -9.964 -16.622 -6.035 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -10.502 -18.269 -5.775 1.00 0.00 H new ATOM 1712 N GLU A 112 -8.591 -18.557 -3.431 1.00 0.00 N ATOM 1713 CA GLU A 112 -7.966 -19.767 -2.910 1.00 0.00 C ATOM 1714 C GLU A 112 -8.066 -19.818 -1.388 1.00 0.00 C ATOM 1715 O GLU A 112 -8.965 -20.452 -0.836 1.00 0.00 O ATOM 1716 CB GLU A 112 -6.499 -19.834 -3.338 1.00 0.00 C ATOM 1717 CG GLU A 112 -5.699 -20.897 -2.603 1.00 0.00 C ATOM 1718 CD GLU A 112 -4.704 -20.305 -1.623 1.00 0.00 C ATOM 1719 OE1 GLU A 112 -5.074 -19.350 -0.908 1.00 0.00 O ATOM 1720 OE2 GLU A 112 -3.557 -20.796 -1.572 1.00 0.00 O ATOM 0 H GLU A 112 -7.936 -17.872 -3.808 1.00 0.00 H new ATOM 0 HA GLU A 112 -8.497 -20.626 -3.321 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -6.450 -20.030 -4.409 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -6.036 -18.862 -3.171 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -6.383 -21.556 -2.067 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -5.167 -21.512 -3.328 1.00 0.00 H new