USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 583 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 55 SER OG : rot -120:sc= -0.238 USER MOD Set 1.2: A 83 THR OG1 : rot 85:sc= 1.06 USER MOD Set 2.1: A 29 MET CE :methyl 149:sc= -0.0943 (180deg=-0.0752) USER MOD Set 2.2: A 32 THR OG1 : rot 140:sc= -0.032 USER MOD Single : A 8 SER OG : rot 180:sc= 0.00581 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -1.09 X(o=-1.1,f=-1.1) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 160:sc= -2.53 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot -53:sc= 0.762 USER MOD Single : A 44 GLN : amide:sc=-0.000816 X(o=-0.00082,f=0) USER MOD Single : A 46 HIS : no HD1:sc= -0.39 X(o=-0.39,f=0.024) USER MOD Single : A 60 SER OG : rot 180:sc= 0.00306 USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 64 MET CE :methyl 154:sc= -0.409 (180deg=-0.464) USER MOD Single : A 65 THR OG1 : rot -150:sc= -1 USER MOD Single : A 66 HIS : no HE2:sc= -3.73! C(o=-3.7!,f=-9.5!) USER MOD Single : A 70 GLN : amide:sc= -0.0169 K(o=-0.017,f=-1.3!) USER MOD Single : A 71 ASN : amide:sc=-0.000886 X(o=-0.00089,f=0) USER MOD Single : A 72 LYS NZ :NH3+ -120:sc= -0.308 (180deg=-2.09!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot -24:sc= 0.413 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 MET CE :methyl -153:sc= -1.81 (180deg=-3.76!) USER MOD Single : A 85 GLN : amide:sc=-0.00393 X(o=-0.0039,f=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -4.751 -5.172 14.159 1.00 0.00 N ATOM 60 CA GLY A 7 -3.369 -5.592 14.319 1.00 0.00 C ATOM 61 C GLY A 7 -2.453 -4.846 13.346 1.00 0.00 C ATOM 62 O GLY A 7 -2.694 -4.844 12.140 1.00 0.00 O ATOM 0 HA2 GLY A 7 -3.045 -5.407 15.343 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.289 -6.666 14.148 1.00 0.00 H new ATOM 66 N SER A 8 -1.422 -4.232 13.907 1.00 0.00 N ATOM 67 CA SER A 8 -0.469 -3.484 13.104 1.00 0.00 C ATOM 68 C SER A 8 0.743 -4.360 12.780 1.00 0.00 C ATOM 69 O SER A 8 1.052 -5.295 13.517 1.00 0.00 O ATOM 70 CB SER A 8 -0.025 -2.208 13.823 1.00 0.00 C ATOM 71 OG SER A 8 0.177 -2.423 15.217 1.00 0.00 O ATOM 0 H SER A 8 -1.225 -4.237 14.908 1.00 0.00 H new ATOM 0 HA SER A 8 -0.958 -3.193 12.174 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.899 -1.842 13.375 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.777 -1.432 13.681 1.00 0.00 H new ATOM 0 HG SER A 8 0.461 -1.586 15.639 1.00 0.00 H new ATOM 77 N VAL A 9 1.397 -4.025 11.678 1.00 0.00 N ATOM 78 CA VAL A 9 2.568 -4.769 11.247 1.00 0.00 C ATOM 79 C VAL A 9 3.759 -3.815 11.132 1.00 0.00 C ATOM 80 O VAL A 9 3.582 -2.599 11.078 1.00 0.00 O ATOM 81 CB VAL A 9 2.267 -5.510 9.943 1.00 0.00 C ATOM 82 CG1 VAL A 9 1.389 -4.662 9.021 1.00 0.00 C ATOM 83 CG2 VAL A 9 3.560 -5.926 9.238 1.00 0.00 C ATOM 0 H VAL A 9 1.138 -3.248 11.070 1.00 0.00 H new ATOM 0 HA VAL A 9 2.830 -5.529 11.983 1.00 0.00 H new ATOM 0 HB VAL A 9 1.714 -6.416 10.192 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.190 -5.212 8.101 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.447 -4.438 9.521 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.904 -3.731 8.783 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.318 -6.451 8.314 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.150 -5.039 9.008 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.134 -6.585 9.890 1.00 0.00 H new ATOM 93 N SER A 10 4.946 -4.403 11.099 1.00 0.00 N ATOM 94 CA SER A 10 6.166 -3.621 10.991 1.00 0.00 C ATOM 95 C SER A 10 7.078 -4.219 9.918 1.00 0.00 C ATOM 96 O SER A 10 7.548 -5.347 10.056 1.00 0.00 O ATOM 97 CB SER A 10 6.898 -3.554 12.333 1.00 0.00 C ATOM 98 OG SER A 10 8.099 -2.792 12.249 1.00 0.00 O ATOM 0 H SER A 10 5.089 -5.412 11.145 1.00 0.00 H new ATOM 0 HA SER A 10 5.896 -2.605 10.704 1.00 0.00 H new ATOM 0 HB2 SER A 10 6.241 -3.113 13.083 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.132 -4.564 12.669 1.00 0.00 H new ATOM 0 HG SER A 10 8.536 -2.772 13.126 1.00 0.00 H new ATOM 104 N LEU A 11 7.301 -3.435 8.873 1.00 0.00 N ATOM 105 CA LEU A 11 8.148 -3.873 7.777 1.00 0.00 C ATOM 106 C LEU A 11 9.504 -3.171 7.874 1.00 0.00 C ATOM 107 O LEU A 11 9.590 -2.045 8.361 1.00 0.00 O ATOM 108 CB LEU A 11 7.441 -3.663 6.436 1.00 0.00 C ATOM 109 CG LEU A 11 5.950 -4.005 6.403 1.00 0.00 C ATOM 110 CD1 LEU A 11 5.339 -3.661 5.043 1.00 0.00 C ATOM 111 CD2 LEU A 11 5.715 -5.468 6.784 1.00 0.00 C ATOM 0 H LEU A 11 6.910 -2.500 8.762 1.00 0.00 H new ATOM 0 HA LEU A 11 8.337 -4.944 7.847 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.561 -2.620 6.144 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.948 -4.265 5.682 1.00 0.00 H new ATOM 0 HG LEU A 11 5.442 -3.393 7.148 1.00 0.00 H new ATOM 0 HD11 LEU A 11 4.279 -3.914 5.046 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.457 -2.595 4.850 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.845 -4.229 4.263 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.647 -5.685 6.753 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.238 -6.116 6.080 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.092 -5.647 7.791 1.00 0.00 H new ATOM 123 N VAL A 12 10.529 -3.866 7.403 1.00 0.00 N ATOM 124 CA VAL A 12 11.877 -3.323 7.431 1.00 0.00 C ATOM 125 C VAL A 12 12.390 -3.169 5.998 1.00 0.00 C ATOM 126 O VAL A 12 12.706 -4.159 5.339 1.00 0.00 O ATOM 127 CB VAL A 12 12.778 -4.204 8.298 1.00 0.00 C ATOM 128 CG1 VAL A 12 12.718 -5.664 7.844 1.00 0.00 C ATOM 129 CG2 VAL A 12 14.218 -3.688 8.293 1.00 0.00 C ATOM 0 H VAL A 12 10.453 -4.800 7.000 1.00 0.00 H new ATOM 0 HA VAL A 12 11.881 -2.332 7.885 1.00 0.00 H new ATOM 0 HB VAL A 12 12.408 -4.156 9.322 1.00 0.00 H new ATOM 0 HG11 VAL A 12 13.367 -6.269 8.477 1.00 0.00 H new ATOM 0 HG12 VAL A 12 11.694 -6.028 7.923 1.00 0.00 H new ATOM 0 HG13 VAL A 12 13.050 -5.737 6.808 1.00 0.00 H new ATOM 0 HG21 VAL A 12 14.838 -4.332 8.917 1.00 0.00 H new ATOM 0 HG22 VAL A 12 14.602 -3.692 7.273 1.00 0.00 H new ATOM 0 HG23 VAL A 12 14.242 -2.671 8.685 1.00 0.00 H new ATOM 139 N GLY A 13 12.456 -1.922 5.558 1.00 0.00 N ATOM 140 CA GLY A 13 12.925 -1.626 4.214 1.00 0.00 C ATOM 141 C GLY A 13 13.017 -0.116 3.986 1.00 0.00 C ATOM 142 O GLY A 13 12.333 0.659 4.652 1.00 0.00 O ATOM 0 H GLY A 13 12.193 -1.104 6.108 1.00 0.00 H new ATOM 0 HA2 GLY A 13 13.903 -2.081 4.058 1.00 0.00 H new ATOM 0 HA3 GLY A 13 12.247 -2.067 3.483 1.00 0.00 H new ATOM 146 N PRO A 14 13.891 0.266 3.016 1.00 0.00 N ATOM 147 CA PRO A 14 14.081 1.670 2.691 1.00 0.00 C ATOM 148 C PRO A 14 12.898 2.211 1.887 1.00 0.00 C ATOM 149 O PRO A 14 12.822 3.409 1.617 1.00 0.00 O ATOM 150 CB PRO A 14 15.393 1.722 1.926 1.00 0.00 C ATOM 151 CG PRO A 14 15.654 0.303 1.448 1.00 0.00 C ATOM 152 CD PRO A 14 14.718 -0.624 2.207 1.00 0.00 C ATOM 0 HA PRO A 14 14.126 2.305 3.576 1.00 0.00 H new ATOM 0 HB2 PRO A 14 15.327 2.412 1.084 1.00 0.00 H new ATOM 0 HB3 PRO A 14 16.203 2.074 2.564 1.00 0.00 H new ATOM 0 HG2 PRO A 14 15.482 0.224 0.375 1.00 0.00 H new ATOM 0 HG3 PRO A 14 16.693 0.025 1.625 1.00 0.00 H new ATOM 0 HD2 PRO A 14 14.110 -1.218 1.525 1.00 0.00 H new ATOM 0 HD3 PRO A 14 15.274 -1.324 2.831 1.00 0.00 H new ATOM 160 N ALA A 15 12.004 1.303 1.526 1.00 0.00 N ATOM 161 CA ALA A 15 10.828 1.675 0.757 1.00 0.00 C ATOM 162 C ALA A 15 10.229 0.423 0.112 1.00 0.00 C ATOM 163 O ALA A 15 9.029 0.175 0.228 1.00 0.00 O ATOM 164 CB ALA A 15 11.207 2.738 -0.276 1.00 0.00 C ATOM 0 H ALA A 15 12.070 0.310 1.752 1.00 0.00 H new ATOM 0 HA ALA A 15 10.067 2.109 1.406 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.325 3.016 -0.852 1.00 0.00 H new ATOM 0 HB2 ALA A 15 11.600 3.618 0.234 1.00 0.00 H new ATOM 0 HB3 ALA A 15 11.967 2.338 -0.947 1.00 0.00 H new ATOM 170 N PRO A 16 11.114 -0.351 -0.570 1.00 0.00 N ATOM 171 CA PRO A 16 10.685 -1.571 -1.233 1.00 0.00 C ATOM 172 C PRO A 16 10.436 -2.689 -0.219 1.00 0.00 C ATOM 173 O PRO A 16 11.252 -3.598 -0.079 1.00 0.00 O ATOM 174 CB PRO A 16 11.798 -1.897 -2.215 1.00 0.00 C ATOM 175 CG PRO A 16 13.014 -1.117 -1.741 1.00 0.00 C ATOM 176 CD PRO A 16 12.541 -0.088 -0.728 1.00 0.00 C ATOM 0 HA PRO A 16 9.734 -1.455 -1.753 1.00 0.00 H new ATOM 0 HB2 PRO A 16 12.003 -2.967 -2.232 1.00 0.00 H new ATOM 0 HB3 PRO A 16 11.521 -1.610 -3.229 1.00 0.00 H new ATOM 0 HG2 PRO A 16 13.746 -1.788 -1.291 1.00 0.00 H new ATOM 0 HG3 PRO A 16 13.505 -0.627 -2.582 1.00 0.00 H new ATOM 0 HD2 PRO A 16 13.070 -0.193 0.219 1.00 0.00 H new ATOM 0 HD3 PRO A 16 12.720 0.927 -1.082 1.00 0.00 H new ATOM 184 N TRP A 17 9.305 -2.584 0.464 1.00 0.00 N ATOM 185 CA TRP A 17 8.938 -3.575 1.461 1.00 0.00 C ATOM 186 C TRP A 17 8.594 -4.875 0.733 1.00 0.00 C ATOM 187 O TRP A 17 8.704 -5.959 1.304 1.00 0.00 O ATOM 188 CB TRP A 17 7.799 -3.066 2.346 1.00 0.00 C ATOM 189 CG TRP A 17 7.828 -1.556 2.592 1.00 0.00 C ATOM 190 CD1 TRP A 17 7.258 -0.590 1.859 1.00 0.00 C ATOM 191 CD2 TRP A 17 8.488 -0.874 3.679 1.00 0.00 C ATOM 192 NE1 TRP A 17 7.500 0.659 2.392 1.00 0.00 N ATOM 193 CE2 TRP A 17 8.272 0.481 3.535 1.00 0.00 C ATOM 194 CE3 TRP A 17 9.242 -1.386 4.750 1.00 0.00 C ATOM 195 CZ2 TRP A 17 8.777 1.437 4.424 1.00 0.00 C ATOM 196 CZ3 TRP A 17 9.739 -0.418 5.630 1.00 0.00 C ATOM 197 CH2 TRP A 17 9.531 0.950 5.499 1.00 0.00 C ATOM 0 H TRP A 17 8.631 -1.828 0.346 1.00 0.00 H new ATOM 0 HA TRP A 17 9.770 -3.766 2.139 1.00 0.00 H new ATOM 0 HB2 TRP A 17 6.848 -3.330 1.884 1.00 0.00 H new ATOM 0 HB3 TRP A 17 7.841 -3.581 3.306 1.00 0.00 H new ATOM 0 HD1 TRP A 17 6.681 -0.767 0.963 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.173 1.549 2.017 1.00 0.00 H new ATOM 0 HE3 TRP A 17 9.423 -2.442 4.883 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 8.595 2.493 4.288 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 10.326 -0.758 6.471 1.00 0.00 H new ATOM 0 HH2 TRP A 17 9.949 1.634 6.223 1.00 0.00 H new ATOM 208 N GLY A 18 8.185 -4.724 -0.519 1.00 0.00 N ATOM 209 CA GLY A 18 7.824 -5.873 -1.332 1.00 0.00 C ATOM 210 C GLY A 18 6.307 -5.967 -1.506 1.00 0.00 C ATOM 211 O GLY A 18 5.766 -7.057 -1.687 1.00 0.00 O ATOM 0 H GLY A 18 8.096 -3.823 -0.990 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.302 -5.796 -2.309 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.197 -6.785 -0.866 1.00 0.00 H new ATOM 215 N PHE A 19 5.664 -4.810 -1.444 1.00 0.00 N ATOM 216 CA PHE A 19 4.220 -4.748 -1.592 1.00 0.00 C ATOM 217 C PHE A 19 3.793 -3.438 -2.257 1.00 0.00 C ATOM 218 O PHE A 19 4.409 -2.396 -2.037 1.00 0.00 O ATOM 219 CB PHE A 19 3.622 -4.810 -0.185 1.00 0.00 C ATOM 220 CG PHE A 19 3.630 -3.471 0.554 1.00 0.00 C ATOM 221 CD1 PHE A 19 2.838 -2.453 0.125 1.00 0.00 C ATOM 222 CD2 PHE A 19 4.431 -3.298 1.640 1.00 0.00 C ATOM 223 CE1 PHE A 19 2.845 -1.209 0.811 1.00 0.00 C ATOM 224 CE2 PHE A 19 4.438 -2.055 2.326 1.00 0.00 C ATOM 225 CZ PHE A 19 3.645 -1.037 1.897 1.00 0.00 C ATOM 0 H PHE A 19 6.117 -3.908 -1.293 1.00 0.00 H new ATOM 0 HA PHE A 19 3.875 -5.572 -2.217 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.595 -5.169 -0.253 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.177 -5.541 0.403 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.203 -2.590 -0.738 1.00 0.00 H new ATOM 0 HD2 PHE A 19 5.061 -4.106 1.980 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.215 -0.400 0.470 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.073 -1.918 3.189 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.651 -0.092 2.419 1.00 0.00 H new ATOM 235 N ARG A 20 2.741 -3.533 -3.058 1.00 0.00 N ATOM 236 CA ARG A 20 2.225 -2.369 -3.756 1.00 0.00 C ATOM 237 C ARG A 20 0.887 -1.938 -3.153 1.00 0.00 C ATOM 238 O ARG A 20 0.339 -2.627 -2.293 1.00 0.00 O ATOM 239 CB ARG A 20 2.034 -2.660 -5.246 1.00 0.00 C ATOM 240 CG ARG A 20 3.360 -2.547 -6.001 1.00 0.00 C ATOM 241 CD ARG A 20 3.658 -1.093 -6.373 1.00 0.00 C ATOM 242 NE ARG A 20 4.546 -1.045 -7.556 1.00 0.00 N ATOM 243 CZ ARG A 20 5.262 0.029 -7.915 1.00 0.00 C ATOM 244 NH1 ARG A 20 5.198 1.151 -7.185 1.00 0.00 N ATOM 245 NH2 ARG A 20 6.041 -0.018 -9.004 1.00 0.00 N ATOM 0 H ARG A 20 2.233 -4.399 -3.238 1.00 0.00 H new ATOM 0 HA ARG A 20 2.954 -1.566 -3.644 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.622 -3.661 -5.375 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.311 -1.961 -5.667 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.168 -2.941 -5.385 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.321 -3.156 -6.904 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.728 -0.565 -6.584 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.130 -0.583 -5.533 1.00 0.00 H new ATOM 0 HE ARG A 20 4.617 -1.882 -8.134 1.00 0.00 H new ATOM 0 HH11 ARG A 20 4.604 1.187 -6.356 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.743 1.969 -7.458 1.00 0.00 H new ATOM 0 HH21 ARG A 20 6.089 -0.872 -9.560 1.00 0.00 H new ATOM 0 HH22 ARG A 20 6.586 0.800 -9.277 1.00 0.00 H new ATOM 259 N LEU A 21 0.399 -0.801 -3.626 1.00 0.00 N ATOM 260 CA LEU A 21 -0.865 -0.270 -3.144 1.00 0.00 C ATOM 261 C LEU A 21 -1.741 0.115 -4.338 1.00 0.00 C ATOM 262 O LEU A 21 -1.233 0.357 -5.432 1.00 0.00 O ATOM 263 CB LEU A 21 -0.624 0.879 -2.163 1.00 0.00 C ATOM 264 CG LEU A 21 0.041 0.502 -0.837 1.00 0.00 C ATOM 265 CD1 LEU A 21 0.321 1.745 0.009 1.00 0.00 C ATOM 266 CD2 LEU A 21 -0.796 -0.531 -0.080 1.00 0.00 C ATOM 0 H LEU A 21 0.856 -0.232 -4.339 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.408 -1.030 -2.582 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.005 1.628 -2.657 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.582 1.351 -1.945 1.00 0.00 H new ATOM 0 HG LEU A 21 1.003 0.039 -1.056 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.794 1.449 0.946 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.986 2.415 -0.537 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.616 2.259 0.222 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.302 -0.782 0.859 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.783 -0.118 0.129 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.900 -1.430 -0.687 1.00 0.00 H new ATOM 278 N GLN A 22 -3.041 0.158 -4.088 1.00 0.00 N ATOM 279 CA GLN A 22 -3.992 0.509 -5.129 1.00 0.00 C ATOM 280 C GLN A 22 -5.294 1.021 -4.508 1.00 0.00 C ATOM 281 O GLN A 22 -5.667 0.608 -3.411 1.00 0.00 O ATOM 282 CB GLN A 22 -4.256 -0.681 -6.054 1.00 0.00 C ATOM 283 CG GLN A 22 -4.883 -1.845 -5.284 1.00 0.00 C ATOM 284 CD GLN A 22 -5.495 -2.869 -6.242 1.00 0.00 C ATOM 285 OE1 GLN A 22 -6.090 -2.534 -7.253 1.00 0.00 O ATOM 286 NE2 GLN A 22 -5.316 -4.133 -5.868 1.00 0.00 N ATOM 0 H GLN A 22 -3.458 -0.044 -3.180 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.562 1.308 -5.733 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -4.919 -0.377 -6.864 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -3.321 -1.005 -6.512 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -4.125 -2.327 -4.666 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -5.652 -1.468 -4.610 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -4.808 -4.344 -5.009 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -5.687 -4.892 -6.440 1.00 0.00 H new ATOM 295 N GLY A 23 -5.949 1.912 -5.237 1.00 0.00 N ATOM 296 CA GLY A 23 -7.201 2.484 -4.771 1.00 0.00 C ATOM 297 C GLY A 23 -6.978 3.871 -4.165 1.00 0.00 C ATOM 298 O GLY A 23 -5.968 4.517 -4.439 1.00 0.00 O ATOM 0 H GLY A 23 -5.637 2.252 -6.147 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.904 2.555 -5.601 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.651 1.826 -4.027 1.00 0.00 H new ATOM 302 N GLY A 24 -7.939 4.288 -3.353 1.00 0.00 N ATOM 303 CA GLY A 24 -7.860 5.587 -2.706 1.00 0.00 C ATOM 304 C GLY A 24 -9.106 6.423 -3.002 1.00 0.00 C ATOM 305 O GLY A 24 -10.095 5.908 -3.520 1.00 0.00 O ATOM 0 H GLY A 24 -8.776 3.750 -3.129 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.753 5.455 -1.629 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.972 6.116 -3.052 1.00 0.00 H new ATOM 309 N LYS A 25 -9.017 7.701 -2.661 1.00 0.00 N ATOM 310 CA LYS A 25 -10.125 8.614 -2.885 1.00 0.00 C ATOM 311 C LYS A 25 -10.273 8.872 -4.386 1.00 0.00 C ATOM 312 O LYS A 25 -11.350 8.683 -4.949 1.00 0.00 O ATOM 313 CB LYS A 25 -9.945 9.887 -2.056 1.00 0.00 C ATOM 314 CG LYS A 25 -11.295 10.427 -1.579 1.00 0.00 C ATOM 315 CD LYS A 25 -11.164 11.101 -0.212 1.00 0.00 C ATOM 316 CE LYS A 25 -11.440 12.603 -0.313 1.00 0.00 C ATOM 317 NZ LYS A 25 -12.266 13.055 0.828 1.00 0.00 N ATOM 0 H LYS A 25 -8.195 8.125 -2.231 1.00 0.00 H new ATOM 0 HA LYS A 25 -11.060 8.169 -2.545 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.309 9.678 -1.196 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.437 10.645 -2.652 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.682 11.142 -2.305 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -12.016 9.612 -1.519 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.862 10.646 0.490 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.162 10.937 0.184 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.498 13.152 -0.328 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.952 12.823 -1.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.444 14.076 0.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.172 12.544 0.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.763 12.863 1.718 1.00 0.00 H new ATOM 331 N ASP A 26 -9.175 9.301 -4.991 1.00 0.00 N ATOM 332 CA ASP A 26 -9.168 9.587 -6.415 1.00 0.00 C ATOM 333 C ASP A 26 -9.541 8.320 -7.187 1.00 0.00 C ATOM 334 O ASP A 26 -9.911 8.389 -8.358 1.00 0.00 O ATOM 335 CB ASP A 26 -7.781 10.034 -6.881 1.00 0.00 C ATOM 336 CG ASP A 26 -7.611 10.138 -8.398 1.00 0.00 C ATOM 337 OD1 ASP A 26 -8.278 11.017 -8.985 1.00 0.00 O ATOM 338 OD2 ASP A 26 -6.818 9.336 -8.937 1.00 0.00 O ATOM 0 H ASP A 26 -8.284 9.457 -4.520 1.00 0.00 H new ATOM 0 HA ASP A 26 -9.885 10.386 -6.602 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -7.561 11.006 -6.438 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -7.041 9.333 -6.495 1.00 0.00 H new ATOM 343 N PHE A 27 -9.431 7.193 -6.500 1.00 0.00 N ATOM 344 CA PHE A 27 -9.752 5.912 -7.107 1.00 0.00 C ATOM 345 C PHE A 27 -11.181 5.486 -6.765 1.00 0.00 C ATOM 346 O PHE A 27 -11.739 4.598 -7.409 1.00 0.00 O ATOM 347 CB PHE A 27 -8.775 4.886 -6.528 1.00 0.00 C ATOM 348 CG PHE A 27 -7.363 4.973 -7.112 1.00 0.00 C ATOM 349 CD1 PHE A 27 -6.682 6.149 -7.071 1.00 0.00 C ATOM 350 CD2 PHE A 27 -6.790 3.874 -7.671 1.00 0.00 C ATOM 351 CE1 PHE A 27 -5.372 6.230 -7.613 1.00 0.00 C ATOM 352 CE2 PHE A 27 -5.480 3.955 -8.213 1.00 0.00 C ATOM 353 CZ PHE A 27 -4.798 5.131 -8.172 1.00 0.00 C ATOM 0 H PHE A 27 -9.124 7.140 -5.529 1.00 0.00 H new ATOM 0 HA PHE A 27 -9.672 5.984 -8.192 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -8.719 5.022 -5.448 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -9.169 3.885 -6.704 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.137 7.022 -6.626 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -7.331 2.940 -7.703 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.831 7.164 -7.581 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.025 3.082 -8.658 1.00 0.00 H new ATOM 0 HZ PHE A 27 -3.801 5.192 -8.583 1.00 0.00 H new ATOM 363 N ASN A 28 -11.734 6.140 -5.754 1.00 0.00 N ATOM 364 CA ASN A 28 -13.087 5.840 -5.319 1.00 0.00 C ATOM 365 C ASN A 28 -13.123 4.439 -4.707 1.00 0.00 C ATOM 366 O ASN A 28 -14.059 3.677 -4.946 1.00 0.00 O ATOM 367 CB ASN A 28 -14.062 5.867 -6.498 1.00 0.00 C ATOM 368 CG ASN A 28 -15.342 6.622 -6.134 1.00 0.00 C ATOM 369 OD1 ASN A 28 -16.160 6.170 -5.350 1.00 0.00 O ATOM 370 ND2 ASN A 28 -15.469 7.796 -6.746 1.00 0.00 N ATOM 0 H ASN A 28 -11.269 6.877 -5.224 1.00 0.00 H new ATOM 0 HA ASN A 28 -13.382 6.594 -4.589 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -13.587 6.342 -7.356 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -14.309 4.847 -6.794 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -16.289 8.377 -6.570 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -14.747 8.115 -7.391 1.00 0.00 H new ATOM 377 N MET A 29 -12.094 4.142 -3.928 1.00 0.00 N ATOM 378 CA MET A 29 -11.996 2.845 -3.279 1.00 0.00 C ATOM 379 C MET A 29 -11.004 2.888 -2.115 1.00 0.00 C ATOM 380 O MET A 29 -10.217 3.826 -2.000 1.00 0.00 O ATOM 381 CB MET A 29 -11.543 1.797 -4.298 1.00 0.00 C ATOM 382 CG MET A 29 -10.017 1.708 -4.351 1.00 0.00 C ATOM 383 SD MET A 29 -9.517 0.528 -5.593 1.00 0.00 S ATOM 384 CE MET A 29 -8.876 -0.770 -4.549 1.00 0.00 C ATOM 0 H MET A 29 -11.320 4.777 -3.731 1.00 0.00 H new ATOM 0 HA MET A 29 -12.978 2.581 -2.885 1.00 0.00 H new ATOM 0 HB2 MET A 29 -11.959 0.825 -4.034 1.00 0.00 H new ATOM 0 HB3 MET A 29 -11.930 2.052 -5.284 1.00 0.00 H new ATOM 0 HG2 MET A 29 -9.595 2.687 -4.577 1.00 0.00 H new ATOM 0 HG3 MET A 29 -9.628 1.410 -3.377 1.00 0.00 H new ATOM 0 HE1 MET A 29 -9.031 -1.735 -5.032 1.00 0.00 H new ATOM 0 HE2 MET A 29 -7.810 -0.613 -4.386 1.00 0.00 H new ATOM 0 HE3 MET A 29 -9.396 -0.756 -3.591 1.00 0.00 H new ATOM 394 N PRO A 30 -11.076 1.833 -1.259 1.00 0.00 N ATOM 395 CA PRO A 30 -10.194 1.742 -0.108 1.00 0.00 C ATOM 396 C PRO A 30 -8.779 1.345 -0.532 1.00 0.00 C ATOM 397 O PRO A 30 -8.589 0.746 -1.590 1.00 0.00 O ATOM 398 CB PRO A 30 -10.848 0.720 0.808 1.00 0.00 C ATOM 399 CG PRO A 30 -11.818 -0.061 -0.063 1.00 0.00 C ATOM 400 CD PRO A 30 -11.996 0.704 -1.364 1.00 0.00 C ATOM 0 HA PRO A 30 -10.071 2.696 0.404 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -10.103 0.060 1.251 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -11.369 1.210 1.630 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -11.434 -1.062 -0.258 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -12.776 -0.180 0.444 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -11.760 0.080 -2.226 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -13.025 1.042 -1.487 1.00 0.00 H new ATOM 408 N LEU A 31 -7.822 1.695 0.315 1.00 0.00 N ATOM 409 CA LEU A 31 -6.429 1.383 0.041 1.00 0.00 C ATOM 410 C LEU A 31 -6.186 -0.107 0.293 1.00 0.00 C ATOM 411 O LEU A 31 -6.339 -0.583 1.417 1.00 0.00 O ATOM 412 CB LEU A 31 -5.506 2.301 0.844 1.00 0.00 C ATOM 413 CG LEU A 31 -5.403 3.746 0.352 1.00 0.00 C ATOM 414 CD1 LEU A 31 -5.405 4.727 1.525 1.00 0.00 C ATOM 415 CD2 LEU A 31 -4.181 3.932 -0.550 1.00 0.00 C ATOM 0 H LEU A 31 -7.984 2.192 1.191 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.195 1.572 -1.007 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.850 2.314 1.878 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.506 1.867 0.846 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.284 3.965 -0.251 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.331 5.747 1.147 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.330 4.616 2.090 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.555 4.519 2.175 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.131 4.968 -0.886 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.277 3.687 0.007 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.263 3.274 -1.415 1.00 0.00 H new ATOM 427 N THR A 32 -5.811 -0.801 -0.772 1.00 0.00 N ATOM 428 CA THR A 32 -5.545 -2.226 -0.680 1.00 0.00 C ATOM 429 C THR A 32 -4.148 -2.544 -1.219 1.00 0.00 C ATOM 430 O THR A 32 -3.515 -1.699 -1.849 1.00 0.00 O ATOM 431 CB THR A 32 -6.663 -2.964 -1.418 1.00 0.00 C ATOM 432 OG1 THR A 32 -7.092 -2.039 -2.414 1.00 0.00 O ATOM 433 CG2 THR A 32 -7.902 -3.174 -0.546 1.00 0.00 C ATOM 0 H THR A 32 -5.685 -0.403 -1.703 1.00 0.00 H new ATOM 0 HA THR A 32 -5.543 -2.562 0.357 1.00 0.00 H new ATOM 0 HB THR A 32 -6.294 -3.930 -1.762 1.00 0.00 H new ATOM 0 HG1 THR A 32 -7.271 -2.518 -3.250 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.665 -3.702 -1.118 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.634 -3.763 0.331 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.292 -2.207 -0.229 1.00 0.00 H new ATOM 441 N ILE A 33 -3.709 -3.765 -0.950 1.00 0.00 N ATOM 442 CA ILE A 33 -2.399 -4.204 -1.400 1.00 0.00 C ATOM 443 C ILE A 33 -2.472 -4.575 -2.882 1.00 0.00 C ATOM 444 O ILE A 33 -2.984 -5.636 -3.236 1.00 0.00 O ATOM 445 CB ILE A 33 -1.878 -5.333 -0.508 1.00 0.00 C ATOM 446 CG1 ILE A 33 -1.727 -4.864 0.940 1.00 0.00 C ATOM 447 CG2 ILE A 33 -0.574 -5.911 -1.062 1.00 0.00 C ATOM 448 CD1 ILE A 33 -0.859 -3.607 1.021 1.00 0.00 C ATOM 0 H ILE A 33 -4.237 -4.463 -0.427 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.673 -3.396 -1.309 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.614 -6.137 -0.510 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.710 -4.659 1.364 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.280 -5.658 1.539 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.225 -6.712 -0.410 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.748 -6.308 -2.062 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.181 -5.126 -1.109 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.768 -3.294 2.061 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.131 -3.822 0.618 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.321 -2.808 0.441 1.00 0.00 H new ATOM 460 N SER A 34 -1.952 -3.680 -3.709 1.00 0.00 N ATOM 461 CA SER A 34 -1.951 -3.899 -5.146 1.00 0.00 C ATOM 462 C SER A 34 -1.449 -5.310 -5.459 1.00 0.00 C ATOM 463 O SER A 34 -2.163 -6.107 -6.066 1.00 0.00 O ATOM 464 CB SER A 34 -1.089 -2.858 -5.862 1.00 0.00 C ATOM 465 OG SER A 34 -0.114 -3.462 -6.707 1.00 0.00 O ATOM 0 H SER A 34 -1.528 -2.801 -3.411 1.00 0.00 H new ATOM 0 HA SER A 34 -2.974 -3.795 -5.509 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.728 -2.204 -6.456 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.590 -2.231 -5.123 1.00 0.00 H new ATOM 0 HG SER A 34 0.191 -2.810 -7.372 1.00 0.00 H new ATOM 471 N SER A 35 -0.224 -5.577 -5.031 1.00 0.00 N ATOM 472 CA SER A 35 0.382 -6.877 -5.258 1.00 0.00 C ATOM 473 C SER A 35 1.434 -7.160 -4.184 1.00 0.00 C ATOM 474 O SER A 35 1.705 -6.310 -3.337 1.00 0.00 O ATOM 475 CB SER A 35 1.011 -6.956 -6.651 1.00 0.00 C ATOM 476 OG SER A 35 0.364 -7.921 -7.475 1.00 0.00 O ATOM 0 H SER A 35 0.366 -4.914 -4.528 1.00 0.00 H new ATOM 0 HA SER A 35 -0.401 -7.633 -5.199 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.958 -5.978 -7.129 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.067 -7.209 -6.558 1.00 0.00 H new ATOM 0 HG SER A 35 0.793 -7.940 -8.356 1.00 0.00 H new ATOM 482 N LEU A 36 1.999 -8.356 -4.254 1.00 0.00 N ATOM 483 CA LEU A 36 3.015 -8.761 -3.298 1.00 0.00 C ATOM 484 C LEU A 36 4.310 -9.089 -4.044 1.00 0.00 C ATOM 485 O LEU A 36 4.277 -9.472 -5.212 1.00 0.00 O ATOM 486 CB LEU A 36 2.502 -9.907 -2.424 1.00 0.00 C ATOM 487 CG LEU A 36 2.368 -9.604 -0.930 1.00 0.00 C ATOM 488 CD1 LEU A 36 3.693 -9.838 -0.201 1.00 0.00 C ATOM 489 CD2 LEU A 36 1.832 -8.189 -0.704 1.00 0.00 C ATOM 0 H LEU A 36 1.772 -9.058 -4.958 1.00 0.00 H new ATOM 0 HA LEU A 36 3.240 -7.944 -2.613 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.527 -10.216 -2.801 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.174 -10.757 -2.543 1.00 0.00 H new ATOM 0 HG LEU A 36 1.641 -10.296 -0.505 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.569 -9.615 0.859 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.995 -10.878 -0.320 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.460 -9.187 -0.622 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.746 -7.999 0.366 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.516 -7.466 -1.147 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.851 -8.093 -1.169 1.00 0.00 H new ATOM 501 N LYS A 37 5.420 -8.926 -3.338 1.00 0.00 N ATOM 502 CA LYS A 37 6.723 -9.200 -3.920 1.00 0.00 C ATOM 503 C LYS A 37 7.207 -10.574 -3.451 1.00 0.00 C ATOM 504 O LYS A 37 7.046 -10.928 -2.284 1.00 0.00 O ATOM 505 CB LYS A 37 7.699 -8.064 -3.606 1.00 0.00 C ATOM 506 CG LYS A 37 9.078 -8.344 -4.207 1.00 0.00 C ATOM 507 CD LYS A 37 9.499 -7.222 -5.158 1.00 0.00 C ATOM 508 CE LYS A 37 9.174 -7.582 -6.609 1.00 0.00 C ATOM 509 NZ LYS A 37 8.372 -6.511 -7.242 1.00 0.00 N ATOM 0 H LYS A 37 5.444 -8.608 -2.369 1.00 0.00 H new ATOM 0 HA LYS A 37 6.655 -9.239 -5.007 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.310 -7.126 -4.001 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.787 -7.943 -2.526 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.813 -8.444 -3.409 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.059 -9.293 -4.744 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.988 -6.299 -4.885 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.568 -7.036 -5.056 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.098 -7.732 -7.168 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.625 -8.523 -6.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.160 -6.772 -8.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 7.482 -6.387 -6.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.909 -5.620 -7.227 1.00 0.00 H new ATOM 523 N ASP A 38 7.791 -11.310 -4.385 1.00 0.00 N ATOM 524 CA ASP A 38 8.299 -12.637 -4.083 1.00 0.00 C ATOM 525 C ASP A 38 9.146 -12.576 -2.810 1.00 0.00 C ATOM 526 O ASP A 38 10.106 -11.810 -2.735 1.00 0.00 O ATOM 527 CB ASP A 38 9.185 -13.159 -5.216 1.00 0.00 C ATOM 528 CG ASP A 38 8.469 -14.034 -6.246 1.00 0.00 C ATOM 529 OD1 ASP A 38 8.084 -15.161 -5.864 1.00 0.00 O ATOM 530 OD2 ASP A 38 8.321 -13.557 -7.392 1.00 0.00 O ATOM 0 H ASP A 38 7.924 -11.012 -5.352 1.00 0.00 H new ATOM 0 HA ASP A 38 7.446 -13.304 -3.956 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.629 -12.307 -5.731 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.004 -13.732 -4.782 1.00 0.00 H new ATOM 535 N GLY A 39 8.762 -13.394 -1.841 1.00 0.00 N ATOM 536 CA GLY A 39 9.474 -13.442 -0.576 1.00 0.00 C ATOM 537 C GLY A 39 9.849 -12.036 -0.103 1.00 0.00 C ATOM 538 O GLY A 39 11.020 -11.753 0.146 1.00 0.00 O ATOM 0 H GLY A 39 7.966 -14.029 -1.907 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.853 -13.929 0.176 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.375 -14.045 -0.685 1.00 0.00 H new ATOM 542 N GLY A 40 8.833 -11.192 0.005 1.00 0.00 N ATOM 543 CA GLY A 40 9.042 -9.822 0.443 1.00 0.00 C ATOM 544 C GLY A 40 8.610 -9.641 1.900 1.00 0.00 C ATOM 545 O GLY A 40 7.882 -10.470 2.443 1.00 0.00 O ATOM 0 H GLY A 40 7.863 -11.430 -0.203 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.094 -9.559 0.336 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.477 -9.142 -0.195 1.00 0.00 H new ATOM 549 N LYS A 41 9.077 -8.550 2.490 1.00 0.00 N ATOM 550 CA LYS A 41 8.748 -8.249 3.873 1.00 0.00 C ATOM 551 C LYS A 41 7.245 -8.438 4.088 1.00 0.00 C ATOM 552 O LYS A 41 6.830 -9.151 5.000 1.00 0.00 O ATOM 553 CB LYS A 41 9.254 -6.856 4.253 1.00 0.00 C ATOM 554 CG LYS A 41 10.777 -6.845 4.391 1.00 0.00 C ATOM 555 CD LYS A 41 11.431 -6.136 3.203 1.00 0.00 C ATOM 556 CE LYS A 41 12.469 -7.037 2.531 1.00 0.00 C ATOM 557 NZ LYS A 41 12.501 -6.792 1.072 1.00 0.00 N ATOM 0 H LYS A 41 9.680 -7.864 2.036 1.00 0.00 H new ATOM 0 HA LYS A 41 9.256 -8.941 4.545 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.949 -6.135 3.495 1.00 0.00 H new ATOM 0 HB3 LYS A 41 8.798 -6.543 5.192 1.00 0.00 H new ATOM 0 HG2 LYS A 41 11.058 -6.344 5.317 1.00 0.00 H new ATOM 0 HG3 LYS A 41 11.147 -7.868 4.457 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.667 -5.852 2.479 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.907 -5.216 3.541 1.00 0.00 H new ATOM 0 HE2 LYS A 41 13.454 -6.849 2.959 1.00 0.00 H new ATOM 0 HE3 LYS A 41 12.231 -8.083 2.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.211 -7.412 0.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 11.565 -6.994 0.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 12.750 -5.798 0.892 1.00 0.00 H new ATOM 571 N ALA A 42 6.471 -7.786 3.233 1.00 0.00 N ATOM 572 CA ALA A 42 5.023 -7.873 3.318 1.00 0.00 C ATOM 573 C ALA A 42 4.613 -9.338 3.482 1.00 0.00 C ATOM 574 O ALA A 42 4.049 -9.717 4.507 1.00 0.00 O ATOM 575 CB ALA A 42 4.399 -7.228 2.079 1.00 0.00 C ATOM 0 H ALA A 42 6.819 -7.195 2.478 1.00 0.00 H new ATOM 0 HA ALA A 42 4.656 -7.329 4.188 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.313 -7.293 2.143 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.697 -6.181 2.025 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.742 -7.750 1.185 1.00 0.00 H new ATOM 581 N SER A 43 4.913 -10.121 2.456 1.00 0.00 N ATOM 582 CA SER A 43 4.583 -11.536 2.473 1.00 0.00 C ATOM 583 C SER A 43 5.011 -12.157 3.805 1.00 0.00 C ATOM 584 O SER A 43 4.234 -12.868 4.440 1.00 0.00 O ATOM 585 CB SER A 43 5.246 -12.271 1.307 1.00 0.00 C ATOM 586 OG SER A 43 6.662 -12.343 1.458 1.00 0.00 O ATOM 0 H SER A 43 5.381 -9.802 1.608 1.00 0.00 H new ATOM 0 HA SER A 43 3.503 -11.637 2.363 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.837 -13.279 1.234 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.006 -11.762 0.374 1.00 0.00 H new ATOM 0 HG SER A 43 7.022 -11.443 1.604 1.00 0.00 H new ATOM 592 N GLN A 44 6.245 -11.866 4.187 1.00 0.00 N ATOM 593 CA GLN A 44 6.786 -12.387 5.431 1.00 0.00 C ATOM 594 C GLN A 44 5.899 -11.977 6.608 1.00 0.00 C ATOM 595 O GLN A 44 5.895 -12.637 7.646 1.00 0.00 O ATOM 596 CB GLN A 44 8.227 -11.919 5.641 1.00 0.00 C ATOM 597 CG GLN A 44 9.220 -12.906 5.023 1.00 0.00 C ATOM 598 CD GLN A 44 10.652 -12.589 5.461 1.00 0.00 C ATOM 599 OE1 GLN A 44 11.044 -12.806 6.596 1.00 0.00 O ATOM 600 NE2 GLN A 44 11.408 -12.066 4.500 1.00 0.00 N ATOM 0 H GLN A 44 6.886 -11.276 3.657 1.00 0.00 H new ATOM 0 HA GLN A 44 6.798 -13.475 5.372 1.00 0.00 H new ATOM 0 HB2 GLN A 44 8.362 -10.934 5.194 1.00 0.00 H new ATOM 0 HB3 GLN A 44 8.428 -11.815 6.707 1.00 0.00 H new ATOM 0 HG2 GLN A 44 8.961 -13.922 5.321 1.00 0.00 H new ATOM 0 HG3 GLN A 44 9.151 -12.865 3.936 1.00 0.00 H new ATOM 0 HE21 GLN A 44 11.017 -11.910 3.571 1.00 0.00 H new ATOM 0 HE22 GLN A 44 12.379 -11.821 4.692 1.00 0.00 H new ATOM 609 N ALA A 45 5.168 -10.891 6.407 1.00 0.00 N ATOM 610 CA ALA A 45 4.279 -10.385 7.438 1.00 0.00 C ATOM 611 C ALA A 45 2.889 -10.997 7.253 1.00 0.00 C ATOM 612 O ALA A 45 1.903 -10.474 7.769 1.00 0.00 O ATOM 613 CB ALA A 45 4.254 -8.856 7.387 1.00 0.00 C ATOM 0 H ALA A 45 5.173 -10.347 5.544 1.00 0.00 H new ATOM 0 HA ALA A 45 4.637 -10.672 8.427 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.587 -8.477 8.161 1.00 0.00 H new ATOM 0 HB2 ALA A 45 5.260 -8.470 7.554 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.898 -8.530 6.410 1.00 0.00 H new ATOM 619 N HIS A 46 2.855 -12.096 6.514 1.00 0.00 N ATOM 620 CA HIS A 46 1.603 -12.785 6.253 1.00 0.00 C ATOM 621 C HIS A 46 0.582 -11.797 5.687 1.00 0.00 C ATOM 622 O HIS A 46 -0.600 -11.856 6.025 1.00 0.00 O ATOM 623 CB HIS A 46 1.103 -13.498 7.512 1.00 0.00 C ATOM 624 CG HIS A 46 1.991 -14.629 7.970 1.00 0.00 C ATOM 625 ND1 HIS A 46 1.503 -15.884 8.289 1.00 0.00 N ATOM 626 CD2 HIS A 46 3.341 -14.682 8.160 1.00 0.00 C ATOM 627 CE1 HIS A 46 2.521 -16.649 8.653 1.00 0.00 C ATOM 628 NE2 HIS A 46 3.659 -15.903 8.573 1.00 0.00 N ATOM 0 H HIS A 46 3.675 -12.527 6.087 1.00 0.00 H new ATOM 0 HA HIS A 46 1.760 -13.561 5.504 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.014 -12.770 8.318 1.00 0.00 H new ATOM 0 HB3 HIS A 46 0.103 -13.888 7.323 1.00 0.00 H new ATOM 0 HD2 HIS A 46 4.034 -13.869 8.001 1.00 0.00 H new ATOM 0 HE1 HIS A 46 2.460 -17.683 8.960 1.00 0.00 H new ATOM 0 HE2 HIS A 46 4.600 -16.229 8.794 1.00 0.00 H new ATOM 636 N VAL A 47 1.074 -10.910 4.835 1.00 0.00 N ATOM 637 CA VAL A 47 0.219 -9.910 4.218 1.00 0.00 C ATOM 638 C VAL A 47 -0.336 -10.461 2.903 1.00 0.00 C ATOM 639 O VAL A 47 0.418 -10.722 1.967 1.00 0.00 O ATOM 640 CB VAL A 47 0.991 -8.601 4.039 1.00 0.00 C ATOM 641 CG1 VAL A 47 0.283 -7.679 3.043 1.00 0.00 C ATOM 642 CG2 VAL A 47 1.200 -7.899 5.382 1.00 0.00 C ATOM 0 H VAL A 47 2.054 -10.863 4.557 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.632 -9.685 4.861 1.00 0.00 H new ATOM 0 HB VAL A 47 1.973 -8.844 3.632 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.852 -6.756 2.934 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.209 -8.176 2.076 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.717 -7.448 3.409 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.751 -6.972 5.226 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.232 -7.675 5.830 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.766 -8.550 6.048 1.00 0.00 H new ATOM 652 N ARG A 48 -1.651 -10.622 2.875 1.00 0.00 N ATOM 653 CA ARG A 48 -2.317 -11.137 1.690 1.00 0.00 C ATOM 654 C ARG A 48 -2.917 -9.988 0.877 1.00 0.00 C ATOM 655 O ARG A 48 -3.213 -8.926 1.421 1.00 0.00 O ATOM 656 CB ARG A 48 -3.426 -12.121 2.066 1.00 0.00 C ATOM 657 CG ARG A 48 -2.897 -13.556 2.103 1.00 0.00 C ATOM 658 CD ARG A 48 -3.366 -14.281 3.367 1.00 0.00 C ATOM 659 NE ARG A 48 -2.734 -13.676 4.561 1.00 0.00 N ATOM 660 CZ ARG A 48 -2.875 -14.149 5.807 1.00 0.00 C ATOM 661 NH1 ARG A 48 -3.628 -15.235 6.029 1.00 0.00 N ATOM 662 NH2 ARG A 48 -2.265 -13.536 6.830 1.00 0.00 N ATOM 0 H ARG A 48 -2.273 -10.405 3.654 1.00 0.00 H new ATOM 0 HA ARG A 48 -1.571 -11.660 1.091 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -3.837 -11.856 3.040 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -4.241 -12.049 1.346 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -3.240 -14.097 1.221 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -1.808 -13.547 2.068 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -4.451 -14.220 3.450 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -3.110 -15.339 3.306 1.00 0.00 H new ATOM 0 HE ARG A 48 -2.155 -12.847 4.427 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -4.093 -15.701 5.250 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -3.736 -15.596 6.977 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -1.693 -12.709 6.661 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -2.373 -13.896 7.778 1.00 0.00 H new ATOM 676 N ILE A 49 -3.078 -10.241 -0.414 1.00 0.00 N ATOM 677 CA ILE A 49 -3.638 -9.242 -1.308 1.00 0.00 C ATOM 678 C ILE A 49 -5.078 -8.939 -0.890 1.00 0.00 C ATOM 679 O ILE A 49 -5.817 -9.841 -0.499 1.00 0.00 O ATOM 680 CB ILE A 49 -3.501 -9.689 -2.765 1.00 0.00 C ATOM 681 CG1 ILE A 49 -2.032 -9.890 -3.141 1.00 0.00 C ATOM 682 CG2 ILE A 49 -4.205 -8.711 -3.707 1.00 0.00 C ATOM 683 CD1 ILE A 49 -1.192 -8.675 -2.743 1.00 0.00 C ATOM 0 H ILE A 49 -2.830 -11.123 -0.862 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.081 -8.308 -1.232 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.996 -10.654 -2.874 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.645 -10.781 -2.647 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.948 -10.059 -4.215 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.092 -9.052 -4.736 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.264 -8.662 -3.455 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.761 -7.721 -3.602 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.152 -8.845 -3.022 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.566 -7.790 -3.258 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.259 -8.524 -1.666 1.00 0.00 H new ATOM 695 N GLY A 50 -5.434 -7.666 -0.988 1.00 0.00 N ATOM 696 CA GLY A 50 -6.772 -7.234 -0.624 1.00 0.00 C ATOM 697 C GLY A 50 -6.780 -6.575 0.757 1.00 0.00 C ATOM 698 O GLY A 50 -7.758 -5.934 1.137 1.00 0.00 O ATOM 0 H GLY A 50 -4.819 -6.921 -1.314 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.146 -6.531 -1.368 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.447 -8.090 -0.626 1.00 0.00 H new ATOM 702 N ASP A 51 -5.678 -6.756 1.469 1.00 0.00 N ATOM 703 CA ASP A 51 -5.545 -6.188 2.800 1.00 0.00 C ATOM 704 C ASP A 51 -5.771 -4.676 2.729 1.00 0.00 C ATOM 705 O ASP A 51 -5.129 -3.985 1.940 1.00 0.00 O ATOM 706 CB ASP A 51 -4.145 -6.430 3.366 1.00 0.00 C ATOM 707 CG ASP A 51 -3.853 -7.876 3.771 1.00 0.00 C ATOM 708 OD1 ASP A 51 -4.780 -8.703 3.632 1.00 0.00 O ATOM 709 OD2 ASP A 51 -2.709 -8.122 4.212 1.00 0.00 O ATOM 0 H ASP A 51 -4.869 -7.288 1.150 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.282 -6.666 3.445 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.410 -6.121 2.622 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.006 -5.789 4.237 1.00 0.00 H new ATOM 714 N VAL A 52 -6.686 -4.207 3.564 1.00 0.00 N ATOM 715 CA VAL A 52 -7.005 -2.790 3.606 1.00 0.00 C ATOM 716 C VAL A 52 -6.167 -2.115 4.694 1.00 0.00 C ATOM 717 O VAL A 52 -6.067 -2.622 5.810 1.00 0.00 O ATOM 718 CB VAL A 52 -8.510 -2.598 3.806 1.00 0.00 C ATOM 719 CG1 VAL A 52 -8.852 -1.120 4.009 1.00 0.00 C ATOM 720 CG2 VAL A 52 -9.298 -3.188 2.635 1.00 0.00 C ATOM 0 H VAL A 52 -7.217 -4.783 4.217 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.753 -2.314 2.659 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.800 -3.136 4.709 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -9.928 -1.011 4.149 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -8.332 -0.744 4.890 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -8.541 -0.551 3.133 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -10.365 -3.038 2.802 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -9.002 -2.692 1.711 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -9.089 -4.255 2.557 1.00 0.00 H new ATOM 730 N VAL A 53 -5.585 -0.982 4.329 1.00 0.00 N ATOM 731 CA VAL A 53 -4.758 -0.232 5.260 1.00 0.00 C ATOM 732 C VAL A 53 -5.642 0.721 6.066 1.00 0.00 C ATOM 733 O VAL A 53 -6.067 1.758 5.559 1.00 0.00 O ATOM 734 CB VAL A 53 -3.638 0.486 4.503 1.00 0.00 C ATOM 735 CG1 VAL A 53 -2.755 1.287 5.463 1.00 0.00 C ATOM 736 CG2 VAL A 53 -2.805 -0.504 3.687 1.00 0.00 C ATOM 0 H VAL A 53 -5.670 -0.565 3.402 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.274 -0.904 5.969 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.099 1.187 3.807 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.967 1.788 4.901 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.361 2.031 5.980 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.307 0.613 6.194 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -2.016 0.032 3.159 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.358 -1.241 4.355 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.446 -1.010 2.965 1.00 0.00 H new ATOM 746 N LEU A 54 -5.892 0.336 7.309 1.00 0.00 N ATOM 747 CA LEU A 54 -6.717 1.144 8.191 1.00 0.00 C ATOM 748 C LEU A 54 -5.951 2.410 8.582 1.00 0.00 C ATOM 749 O LEU A 54 -6.526 3.496 8.634 1.00 0.00 O ATOM 750 CB LEU A 54 -7.190 0.317 9.389 1.00 0.00 C ATOM 751 CG LEU A 54 -8.093 -0.875 9.066 1.00 0.00 C ATOM 752 CD1 LEU A 54 -8.218 -1.810 10.270 1.00 0.00 C ATOM 753 CD2 LEU A 54 -9.459 -0.407 8.559 1.00 0.00 C ATOM 0 H LEU A 54 -5.538 -0.525 7.726 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.623 1.465 7.677 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.312 -0.051 9.921 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.724 0.977 10.073 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.630 -1.446 8.262 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -8.865 -2.649 10.014 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.231 -2.183 10.545 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -8.647 -1.265 11.111 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -10.081 -1.274 8.337 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.943 0.200 9.324 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -9.327 0.187 7.654 1.00 0.00 H new ATOM 765 N SER A 55 -4.666 2.227 8.847 1.00 0.00 N ATOM 766 CA SER A 55 -3.816 3.341 9.231 1.00 0.00 C ATOM 767 C SER A 55 -2.483 3.264 8.483 1.00 0.00 C ATOM 768 O SER A 55 -2.190 2.264 7.830 1.00 0.00 O ATOM 769 CB SER A 55 -3.576 3.355 10.742 1.00 0.00 C ATOM 770 OG SER A 55 -3.204 2.071 11.236 1.00 0.00 O ATOM 0 H SER A 55 -4.193 1.324 8.803 1.00 0.00 H new ATOM 0 HA SER A 55 -4.324 4.267 8.962 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.792 4.075 10.978 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.480 3.691 11.250 1.00 0.00 H new ATOM 0 HG SER A 55 -3.859 1.775 11.902 1.00 0.00 H new ATOM 776 N ILE A 56 -1.711 4.335 8.603 1.00 0.00 N ATOM 777 CA ILE A 56 -0.417 4.401 7.947 1.00 0.00 C ATOM 778 C ILE A 56 0.558 5.182 8.830 1.00 0.00 C ATOM 779 O ILE A 56 0.319 6.347 9.146 1.00 0.00 O ATOM 780 CB ILE A 56 -0.561 4.973 6.535 1.00 0.00 C ATOM 781 CG1 ILE A 56 -1.215 3.957 5.596 1.00 0.00 C ATOM 782 CG2 ILE A 56 0.787 5.462 6.001 1.00 0.00 C ATOM 783 CD1 ILE A 56 -1.527 4.588 4.237 1.00 0.00 C ATOM 0 H ILE A 56 -1.957 5.163 9.145 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.002 3.401 7.820 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.221 5.839 6.583 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.552 3.102 5.461 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.134 3.580 6.045 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.656 5.864 4.996 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.176 6.242 6.656 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.490 4.629 5.970 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.991 3.845 3.589 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.209 5.427 4.373 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.603 4.942 3.780 1.00 0.00 H new ATOM 795 N ASP A 57 1.637 4.509 9.203 1.00 0.00 N ATOM 796 CA ASP A 57 2.650 5.126 10.044 1.00 0.00 C ATOM 797 C ASP A 57 2.012 5.567 11.363 1.00 0.00 C ATOM 798 O ASP A 57 2.479 6.512 11.997 1.00 0.00 O ATOM 799 CB ASP A 57 3.246 6.363 9.370 1.00 0.00 C ATOM 800 CG ASP A 57 4.416 7.006 10.118 1.00 0.00 C ATOM 801 OD1 ASP A 57 5.057 6.276 10.904 1.00 0.00 O ATOM 802 OD2 ASP A 57 4.642 8.214 9.887 1.00 0.00 O ATOM 0 H ASP A 57 1.832 3.543 8.939 1.00 0.00 H new ATOM 0 HA ASP A 57 3.439 4.393 10.215 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.581 6.088 8.370 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.459 7.107 9.249 1.00 0.00 H new ATOM 807 N GLY A 58 0.954 4.862 11.737 1.00 0.00 N ATOM 808 CA GLY A 58 0.248 5.169 12.969 1.00 0.00 C ATOM 809 C GLY A 58 -0.754 6.306 12.757 1.00 0.00 C ATOM 810 O GLY A 58 -1.344 6.804 13.715 1.00 0.00 O ATOM 0 H GLY A 58 0.569 4.079 11.208 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.274 4.281 13.324 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.963 5.449 13.742 1.00 0.00 H new ATOM 814 N ILE A 59 -0.916 6.682 11.497 1.00 0.00 N ATOM 815 CA ILE A 59 -1.837 7.751 11.148 1.00 0.00 C ATOM 816 C ILE A 59 -3.084 7.151 10.497 1.00 0.00 C ATOM 817 O ILE A 59 -3.029 6.062 9.927 1.00 0.00 O ATOM 818 CB ILE A 59 -1.136 8.801 10.283 1.00 0.00 C ATOM 819 CG1 ILE A 59 0.197 9.223 10.906 1.00 0.00 C ATOM 820 CG2 ILE A 59 -2.052 9.998 10.024 1.00 0.00 C ATOM 821 CD1 ILE A 59 0.461 10.712 10.677 1.00 0.00 C ATOM 0 H ILE A 59 -0.425 6.266 10.705 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.167 8.278 12.044 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.912 8.352 9.315 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.186 9.012 11.975 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.007 8.636 10.474 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.530 10.729 9.407 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.951 9.663 9.507 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.329 10.456 10.973 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.414 10.986 11.129 1.00 0.00 H new ATOM 0 HD12 ILE A 59 0.496 10.915 9.607 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.338 11.297 11.132 1.00 0.00 H new ATOM 833 N SER A 60 -4.181 7.887 10.603 1.00 0.00 N ATOM 834 CA SER A 60 -5.440 7.442 10.031 1.00 0.00 C ATOM 835 C SER A 60 -5.359 7.468 8.503 1.00 0.00 C ATOM 836 O SER A 60 -5.064 8.504 7.911 1.00 0.00 O ATOM 837 CB SER A 60 -6.603 8.309 10.516 1.00 0.00 C ATOM 838 OG SER A 60 -7.678 8.332 9.581 1.00 0.00 O ATOM 0 H SER A 60 -4.224 8.789 11.077 1.00 0.00 H new ATOM 0 HA SER A 60 -5.623 6.420 10.361 1.00 0.00 H new ATOM 0 HB2 SER A 60 -6.963 7.931 11.473 1.00 0.00 H new ATOM 0 HB3 SER A 60 -6.250 9.326 10.688 1.00 0.00 H new ATOM 0 HG SER A 60 -8.401 8.895 9.928 1.00 0.00 H new ATOM 844 N ALA A 61 -5.627 6.314 7.909 1.00 0.00 N ATOM 845 CA ALA A 61 -5.589 6.192 6.461 1.00 0.00 C ATOM 846 C ALA A 61 -7.018 6.096 5.924 1.00 0.00 C ATOM 847 O ALA A 61 -7.269 5.407 4.936 1.00 0.00 O ATOM 848 CB ALA A 61 -4.738 4.981 6.074 1.00 0.00 C ATOM 0 H ALA A 61 -5.871 5.456 8.403 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.127 7.072 6.013 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -4.709 4.889 4.988 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -3.725 5.112 6.454 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -5.173 4.078 6.503 1.00 0.00 H new ATOM 854 N GLN A 62 -7.918 6.797 6.598 1.00 0.00 N ATOM 855 CA GLN A 62 -9.315 6.800 6.200 1.00 0.00 C ATOM 856 C GLN A 62 -9.638 8.066 5.403 1.00 0.00 C ATOM 857 O GLN A 62 -10.176 9.027 5.950 1.00 0.00 O ATOM 858 CB GLN A 62 -10.232 6.670 7.418 1.00 0.00 C ATOM 859 CG GLN A 62 -10.755 5.239 7.560 1.00 0.00 C ATOM 860 CD GLN A 62 -11.698 5.117 8.759 1.00 0.00 C ATOM 861 OE1 GLN A 62 -11.702 5.934 9.665 1.00 0.00 O ATOM 862 NE2 GLN A 62 -12.494 4.053 8.715 1.00 0.00 N ATOM 0 H GLN A 62 -7.707 7.367 7.417 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.492 5.936 5.559 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.688 6.953 8.319 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -11.071 7.360 7.322 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.279 4.947 6.650 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -9.917 4.552 7.680 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -12.440 3.408 7.927 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -13.159 3.882 9.469 1.00 0.00 H new ATOM 871 N GLY A 63 -9.296 8.025 4.124 1.00 0.00 N ATOM 872 CA GLY A 63 -9.542 9.156 3.246 1.00 0.00 C ATOM 873 C GLY A 63 -8.325 9.442 2.365 1.00 0.00 C ATOM 874 O GLY A 63 -8.458 9.624 1.156 1.00 0.00 O ATOM 0 H GLY A 63 -8.850 7.225 3.674 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.409 8.952 2.618 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.780 10.038 3.841 1.00 0.00 H new ATOM 878 N MET A 64 -7.165 9.473 3.005 1.00 0.00 N ATOM 879 CA MET A 64 -5.925 9.733 2.295 1.00 0.00 C ATOM 880 C MET A 64 -5.912 9.027 0.937 1.00 0.00 C ATOM 881 O MET A 64 -6.156 7.824 0.857 1.00 0.00 O ATOM 882 CB MET A 64 -4.743 9.246 3.135 1.00 0.00 C ATOM 883 CG MET A 64 -4.445 10.220 4.278 1.00 0.00 C ATOM 884 SD MET A 64 -2.701 10.200 4.657 1.00 0.00 S ATOM 885 CE MET A 64 -2.572 8.600 5.438 1.00 0.00 C ATOM 0 H MET A 64 -7.058 9.322 4.008 1.00 0.00 H new ATOM 0 HA MET A 64 -5.844 10.807 2.126 1.00 0.00 H new ATOM 0 HB2 MET A 64 -4.963 8.259 3.542 1.00 0.00 H new ATOM 0 HB3 MET A 64 -3.861 9.141 2.503 1.00 0.00 H new ATOM 0 HG2 MET A 64 -4.753 11.227 3.998 1.00 0.00 H new ATOM 0 HG3 MET A 64 -5.021 9.944 5.161 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.556 8.221 5.325 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.809 8.692 6.498 1.00 0.00 H new ATOM 0 HE3 MET A 64 -3.272 7.909 4.969 1.00 0.00 H new ATOM 895 N THR A 65 -5.624 9.805 -0.096 1.00 0.00 N ATOM 896 CA THR A 65 -5.575 9.269 -1.446 1.00 0.00 C ATOM 897 C THR A 65 -4.337 8.389 -1.626 1.00 0.00 C ATOM 898 O THR A 65 -3.468 8.348 -0.756 1.00 0.00 O ATOM 899 CB THR A 65 -5.633 10.445 -2.423 1.00 0.00 C ATOM 900 OG1 THR A 65 -4.518 11.254 -2.060 1.00 0.00 O ATOM 901 CG2 THR A 65 -6.844 11.349 -2.181 1.00 0.00 C ATOM 0 H THR A 65 -5.422 10.802 -0.025 1.00 0.00 H new ATOM 0 HA THR A 65 -6.427 8.620 -1.645 1.00 0.00 H new ATOM 0 HB THR A 65 -5.661 10.066 -3.445 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.716 12.193 -2.260 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.837 12.167 -2.901 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.760 10.770 -2.299 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.799 11.755 -1.170 1.00 0.00 H new ATOM 909 N HIS A 66 -4.295 7.707 -2.761 1.00 0.00 N ATOM 910 CA HIS A 66 -3.178 6.830 -3.067 1.00 0.00 C ATOM 911 C HIS A 66 -1.864 7.598 -2.904 1.00 0.00 C ATOM 912 O HIS A 66 -1.015 7.219 -2.099 1.00 0.00 O ATOM 913 CB HIS A 66 -3.336 6.213 -4.458 1.00 0.00 C ATOM 914 CG HIS A 66 -2.657 4.874 -4.616 1.00 0.00 C ATOM 915 ND1 HIS A 66 -2.064 4.469 -5.799 1.00 0.00 N ATOM 916 CD2 HIS A 66 -2.483 3.852 -3.729 1.00 0.00 C ATOM 917 CE1 HIS A 66 -1.560 3.257 -5.621 1.00 0.00 C ATOM 918 NE2 HIS A 66 -1.821 2.876 -4.338 1.00 0.00 N ATOM 0 H HIS A 66 -5.017 7.744 -3.480 1.00 0.00 H new ATOM 0 HA HIS A 66 -3.162 5.997 -2.364 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -4.398 6.098 -4.675 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -2.932 6.903 -5.199 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -2.022 5.012 -6.662 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -2.826 3.839 -2.705 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -1.035 2.673 -6.362 1.00 0.00 H new ATOM 926 N LEU A 67 -1.738 8.663 -3.682 1.00 0.00 N ATOM 927 CA LEU A 67 -0.542 9.487 -3.635 1.00 0.00 C ATOM 928 C LEU A 67 -0.230 9.841 -2.179 1.00 0.00 C ATOM 929 O LEU A 67 0.874 9.588 -1.699 1.00 0.00 O ATOM 930 CB LEU A 67 -0.696 10.707 -4.545 1.00 0.00 C ATOM 931 CG LEU A 67 0.280 11.858 -4.294 1.00 0.00 C ATOM 932 CD1 LEU A 67 1.728 11.398 -4.474 1.00 0.00 C ATOM 933 CD2 LEU A 67 -0.052 13.061 -5.179 1.00 0.00 C ATOM 0 H LEU A 67 -2.444 8.974 -4.349 1.00 0.00 H new ATOM 0 HA LEU A 67 0.316 8.937 -4.021 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.584 10.381 -5.579 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.712 11.088 -4.439 1.00 0.00 H new ATOM 0 HG LEU A 67 0.170 12.179 -3.258 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.401 12.235 -4.290 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.945 10.596 -3.769 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.871 11.035 -5.492 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.657 13.865 -4.981 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.013 12.770 -6.228 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.063 13.406 -4.960 1.00 0.00 H new ATOM 945 N GLU A 68 -1.221 10.420 -1.519 1.00 0.00 N ATOM 946 CA GLU A 68 -1.065 10.812 -0.128 1.00 0.00 C ATOM 947 C GLU A 68 -0.514 9.644 0.693 1.00 0.00 C ATOM 948 O GLU A 68 0.549 9.757 1.302 1.00 0.00 O ATOM 949 CB GLU A 68 -2.389 11.313 0.452 1.00 0.00 C ATOM 950 CG GLU A 68 -2.765 12.675 -0.136 1.00 0.00 C ATOM 951 CD GLU A 68 -2.578 13.788 0.897 1.00 0.00 C ATOM 952 OE1 GLU A 68 -3.026 13.578 2.045 1.00 0.00 O ATOM 953 OE2 GLU A 68 -1.992 14.824 0.514 1.00 0.00 O ATOM 0 H GLU A 68 -2.135 10.627 -1.921 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.351 11.634 -0.080 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.178 10.592 0.241 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.309 11.391 1.536 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.149 12.880 -1.012 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.802 12.656 -0.472 1.00 0.00 H new ATOM 960 N ALA A 69 -1.261 8.550 0.683 1.00 0.00 N ATOM 961 CA ALA A 69 -0.861 7.364 1.420 1.00 0.00 C ATOM 962 C ALA A 69 0.578 7.000 1.048 1.00 0.00 C ATOM 963 O ALA A 69 1.420 6.809 1.924 1.00 0.00 O ATOM 964 CB ALA A 69 -1.843 6.227 1.130 1.00 0.00 C ATOM 0 H ALA A 69 -2.141 8.460 0.176 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.887 7.552 2.493 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.543 5.337 1.683 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.845 6.525 1.438 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.841 6.008 0.062 1.00 0.00 H new ATOM 970 N GLN A 70 0.816 6.914 -0.253 1.00 0.00 N ATOM 971 CA GLN A 70 2.138 6.576 -0.751 1.00 0.00 C ATOM 972 C GLN A 70 3.187 7.517 -0.154 1.00 0.00 C ATOM 973 O GLN A 70 4.250 7.073 0.277 1.00 0.00 O ATOM 974 CB GLN A 70 2.174 6.615 -2.280 1.00 0.00 C ATOM 975 CG GLN A 70 1.469 5.395 -2.876 1.00 0.00 C ATOM 976 CD GLN A 70 2.459 4.255 -3.123 1.00 0.00 C ATOM 977 OE1 GLN A 70 3.220 3.860 -2.254 1.00 0.00 O ATOM 978 NE2 GLN A 70 2.407 3.750 -4.352 1.00 0.00 N ATOM 0 H GLN A 70 0.115 7.073 -0.977 1.00 0.00 H new ATOM 0 HA GLN A 70 2.373 5.558 -0.440 1.00 0.00 H new ATOM 0 HB2 GLN A 70 1.694 7.527 -2.636 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.208 6.645 -2.622 1.00 0.00 H new ATOM 0 HG2 GLN A 70 0.683 5.059 -2.200 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.986 5.672 -3.813 1.00 0.00 H new ATOM 0 HE21 GLN A 70 1.746 4.128 -5.031 1.00 0.00 H new ATOM 0 HE22 GLN A 70 3.028 2.985 -4.616 1.00 0.00 H new ATOM 987 N ASN A 71 2.850 8.798 -0.147 1.00 0.00 N ATOM 988 CA ASN A 71 3.750 9.805 0.390 1.00 0.00 C ATOM 989 C ASN A 71 4.211 9.378 1.785 1.00 0.00 C ATOM 990 O ASN A 71 5.410 9.323 2.056 1.00 0.00 O ATOM 991 CB ASN A 71 3.048 11.159 0.518 1.00 0.00 C ATOM 992 CG ASN A 71 3.709 12.206 -0.379 1.00 0.00 C ATOM 993 OD1 ASN A 71 4.806 12.676 -0.125 1.00 0.00 O ATOM 994 ND2 ASN A 71 2.983 12.545 -1.441 1.00 0.00 N ATOM 0 H ASN A 71 1.967 9.162 -0.504 1.00 0.00 H new ATOM 0 HA ASN A 71 4.595 9.900 -0.291 1.00 0.00 H new ATOM 0 HB2 ASN A 71 1.997 11.055 0.248 1.00 0.00 H new ATOM 0 HB3 ASN A 71 3.079 11.492 1.555 1.00 0.00 H new ATOM 0 HD21 ASN A 71 3.338 13.237 -2.101 1.00 0.00 H new ATOM 0 HD22 ASN A 71 2.072 12.113 -1.595 1.00 0.00 H new ATOM 1001 N LYS A 72 3.236 9.087 2.633 1.00 0.00 N ATOM 1002 CA LYS A 72 3.527 8.667 3.993 1.00 0.00 C ATOM 1003 C LYS A 72 4.541 7.521 3.962 1.00 0.00 C ATOM 1004 O LYS A 72 5.647 7.652 4.486 1.00 0.00 O ATOM 1005 CB LYS A 72 2.235 8.324 4.737 1.00 0.00 C ATOM 1006 CG LYS A 72 1.376 9.573 4.948 1.00 0.00 C ATOM 1007 CD LYS A 72 2.021 10.515 5.966 1.00 0.00 C ATOM 1008 CE LYS A 72 1.260 10.493 7.293 1.00 0.00 C ATOM 1009 NZ LYS A 72 -0.003 11.257 7.180 1.00 0.00 N ATOM 0 H LYS A 72 2.243 9.134 2.404 1.00 0.00 H new ATOM 0 HA LYS A 72 3.983 9.483 4.554 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.671 7.582 4.171 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.474 7.876 5.701 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.244 10.093 3.999 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.384 9.283 5.293 1.00 0.00 H new ATOM 0 HD2 LYS A 72 3.058 10.222 6.132 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.037 11.530 5.569 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.045 9.463 7.578 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.880 10.919 8.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.002 12.039 7.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.092 11.641 6.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.808 10.629 7.378 1.00 0.00 H new ATOM 1023 N ILE A 73 4.129 6.425 3.343 1.00 0.00 N ATOM 1024 CA ILE A 73 4.987 5.257 3.237 1.00 0.00 C ATOM 1025 C ILE A 73 6.379 5.693 2.775 1.00 0.00 C ATOM 1026 O ILE A 73 7.387 5.180 3.258 1.00 0.00 O ATOM 1027 CB ILE A 73 4.344 4.199 2.339 1.00 0.00 C ATOM 1028 CG1 ILE A 73 3.050 3.667 2.957 1.00 0.00 C ATOM 1029 CG2 ILE A 73 5.332 3.075 2.022 1.00 0.00 C ATOM 1030 CD1 ILE A 73 1.906 3.691 1.941 1.00 0.00 C ATOM 0 H ILE A 73 3.212 6.321 2.909 1.00 0.00 H new ATOM 0 HA ILE A 73 5.108 4.783 4.211 1.00 0.00 H new ATOM 0 HB ILE A 73 4.078 4.671 1.393 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.205 2.648 3.312 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.783 4.270 3.825 1.00 0.00 H new ATOM 0 HG21 ILE A 73 4.849 2.336 1.382 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.200 3.488 1.509 1.00 0.00 H new ATOM 0 HG23 ILE A 73 5.651 2.599 2.949 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.998 3.308 2.406 1.00 0.00 H new ATOM 0 HD12 ILE A 73 1.738 4.715 1.606 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.166 3.068 1.085 1.00 0.00 H new ATOM 1042 N LYS A 74 6.390 6.637 1.845 1.00 0.00 N ATOM 1043 CA LYS A 74 7.642 7.148 1.312 1.00 0.00 C ATOM 1044 C LYS A 74 8.475 7.735 2.454 1.00 0.00 C ATOM 1045 O LYS A 74 9.684 7.519 2.519 1.00 0.00 O ATOM 1046 CB LYS A 74 7.376 8.135 0.174 1.00 0.00 C ATOM 1047 CG LYS A 74 8.048 7.673 -1.121 1.00 0.00 C ATOM 1048 CD LYS A 74 7.517 8.455 -2.323 1.00 0.00 C ATOM 1049 CE LYS A 74 6.336 7.730 -2.971 1.00 0.00 C ATOM 1050 NZ LYS A 74 6.808 6.821 -4.039 1.00 0.00 N ATOM 0 H LYS A 74 5.552 7.061 1.447 1.00 0.00 H new ATOM 0 HA LYS A 74 8.227 6.341 0.872 1.00 0.00 H new ATOM 0 HB2 LYS A 74 6.302 8.232 0.016 1.00 0.00 H new ATOM 0 HB3 LYS A 74 7.748 9.122 0.449 1.00 0.00 H new ATOM 0 HG2 LYS A 74 9.127 7.807 -1.043 1.00 0.00 H new ATOM 0 HG3 LYS A 74 7.869 6.608 -1.268 1.00 0.00 H new ATOM 0 HD2 LYS A 74 7.207 9.451 -2.005 1.00 0.00 H new ATOM 0 HD3 LYS A 74 8.313 8.588 -3.056 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.792 7.162 -2.216 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.639 8.458 -3.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 5.994 6.337 -4.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 7.307 7.371 -4.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 7.455 6.115 -3.633 1.00 0.00 H new ATOM 1064 N ALA A 75 7.795 8.466 3.325 1.00 0.00 N ATOM 1065 CA ALA A 75 8.458 9.086 4.460 1.00 0.00 C ATOM 1066 C ALA A 75 9.186 8.010 5.269 1.00 0.00 C ATOM 1067 O ALA A 75 10.221 8.281 5.877 1.00 0.00 O ATOM 1068 CB ALA A 75 7.429 9.848 5.297 1.00 0.00 C ATOM 0 H ALA A 75 6.792 8.643 3.268 1.00 0.00 H new ATOM 0 HA ALA A 75 9.203 9.807 4.124 1.00 0.00 H new ATOM 0 HB1 ALA A 75 7.925 10.313 6.149 1.00 0.00 H new ATOM 0 HB2 ALA A 75 6.960 10.618 4.685 1.00 0.00 H new ATOM 0 HB3 ALA A 75 6.667 9.156 5.655 1.00 0.00 H new ATOM 1106 N SER A 79 11.379 1.788 8.740 1.00 0.00 N ATOM 1107 CA SER A 79 10.364 0.772 8.960 1.00 0.00 C ATOM 1108 C SER A 79 8.988 1.314 8.568 1.00 0.00 C ATOM 1109 O SER A 79 8.804 2.525 8.449 1.00 0.00 O ATOM 1110 CB SER A 79 10.356 0.308 10.418 1.00 0.00 C ATOM 1111 OG SER A 79 10.648 1.373 11.318 1.00 0.00 O ATOM 0 HA SER A 79 10.600 -0.089 8.334 1.00 0.00 H new ATOM 0 HB2 SER A 79 9.380 -0.113 10.659 1.00 0.00 H new ATOM 0 HB3 SER A 79 11.088 -0.489 10.549 1.00 0.00 H new ATOM 0 HG SER A 79 11.153 2.069 10.848 1.00 0.00 H new ATOM 1117 N LEU A 80 8.056 0.392 8.376 1.00 0.00 N ATOM 1118 CA LEU A 80 6.703 0.762 8.000 1.00 0.00 C ATOM 1119 C LEU A 80 5.722 0.218 9.040 1.00 0.00 C ATOM 1120 O LEU A 80 5.634 -0.992 9.243 1.00 0.00 O ATOM 1121 CB LEU A 80 6.400 0.305 6.571 1.00 0.00 C ATOM 1122 CG LEU A 80 5.312 1.088 5.833 1.00 0.00 C ATOM 1123 CD1 LEU A 80 5.788 2.503 5.497 1.00 0.00 C ATOM 1124 CD2 LEU A 80 4.839 0.331 4.591 1.00 0.00 C ATOM 0 H LEU A 80 8.212 -0.611 8.474 1.00 0.00 H new ATOM 0 HA LEU A 80 6.593 1.846 7.994 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.320 0.363 5.989 1.00 0.00 H new ATOM 0 HB3 LEU A 80 6.108 -0.745 6.601 1.00 0.00 H new ATOM 0 HG LEU A 80 4.452 1.187 6.496 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.996 3.038 4.973 1.00 0.00 H new ATOM 0 HD12 LEU A 80 6.036 3.032 6.417 1.00 0.00 H new ATOM 0 HD13 LEU A 80 6.672 2.448 4.861 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.066 0.909 4.085 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.680 0.180 3.915 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.433 -0.636 4.887 1.00 0.00 H new ATOM 1136 N ASN A 81 5.008 1.138 9.673 1.00 0.00 N ATOM 1137 CA ASN A 81 4.037 0.766 10.687 1.00 0.00 C ATOM 1138 C ASN A 81 2.632 1.117 10.195 1.00 0.00 C ATOM 1139 O ASN A 81 2.249 2.286 10.181 1.00 0.00 O ATOM 1140 CB ASN A 81 4.284 1.526 11.992 1.00 0.00 C ATOM 1141 CG ASN A 81 5.021 0.648 13.006 1.00 0.00 C ATOM 1142 OD1 ASN A 81 4.464 0.194 13.993 1.00 0.00 O ATOM 1143 ND2 ASN A 81 6.300 0.436 12.710 1.00 0.00 N ATOM 0 H ASN A 81 5.083 2.141 9.503 1.00 0.00 H new ATOM 0 HA ASN A 81 4.134 -0.304 10.869 1.00 0.00 H new ATOM 0 HB2 ASN A 81 4.869 2.423 11.790 1.00 0.00 H new ATOM 0 HB3 ASN A 81 3.333 1.853 12.412 1.00 0.00 H new ATOM 0 HD21 ASN A 81 6.878 -0.137 13.325 1.00 0.00 H new ATOM 0 HD22 ASN A 81 6.703 0.846 11.868 1.00 0.00 H new ATOM 1150 N MET A 82 1.901 0.083 9.803 1.00 0.00 N ATOM 1151 CA MET A 82 0.547 0.268 9.311 1.00 0.00 C ATOM 1152 C MET A 82 -0.382 -0.827 9.839 1.00 0.00 C ATOM 1153 O MET A 82 0.071 -1.916 10.187 1.00 0.00 O ATOM 1154 CB MET A 82 0.551 0.239 7.781 1.00 0.00 C ATOM 1155 CG MET A 82 1.677 1.110 7.219 1.00 0.00 C ATOM 1156 SD MET A 82 1.520 1.242 5.446 1.00 0.00 S ATOM 1157 CE MET A 82 1.740 -0.468 4.987 1.00 0.00 C ATOM 0 H MET A 82 2.221 -0.885 9.816 1.00 0.00 H new ATOM 0 HA MET A 82 0.181 1.232 9.664 1.00 0.00 H new ATOM 0 HB2 MET A 82 0.672 -0.787 7.433 1.00 0.00 H new ATOM 0 HB3 MET A 82 -0.409 0.592 7.404 1.00 0.00 H new ATOM 0 HG2 MET A 82 1.641 2.102 7.670 1.00 0.00 H new ATOM 0 HG3 MET A 82 2.644 0.678 7.476 1.00 0.00 H new ATOM 0 HE1 MET A 82 2.143 -0.524 3.976 1.00 0.00 H new ATOM 0 HE2 MET A 82 2.432 -0.945 5.681 1.00 0.00 H new ATOM 0 HE3 MET A 82 0.779 -0.981 5.023 1.00 0.00 H new ATOM 1167 N THR A 83 -1.665 -0.499 9.883 1.00 0.00 N ATOM 1168 CA THR A 83 -2.662 -1.441 10.363 1.00 0.00 C ATOM 1169 C THR A 83 -3.423 -2.058 9.188 1.00 0.00 C ATOM 1170 O THR A 83 -3.577 -1.427 8.144 1.00 0.00 O ATOM 1171 CB THR A 83 -3.567 -0.707 11.354 1.00 0.00 C ATOM 1172 OG1 THR A 83 -2.659 -0.044 12.229 1.00 0.00 O ATOM 1173 CG2 THR A 83 -4.333 -1.665 12.269 1.00 0.00 C ATOM 0 H THR A 83 -2.037 0.406 9.594 1.00 0.00 H new ATOM 0 HA THR A 83 -2.197 -2.278 10.883 1.00 0.00 H new ATOM 0 HB THR A 83 -4.275 -0.085 10.806 1.00 0.00 H new ATOM 0 HG1 THR A 83 -2.396 0.815 11.838 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.960 -1.092 12.952 1.00 0.00 H new ATOM 0 HG22 THR A 83 -4.960 -2.321 11.665 1.00 0.00 H new ATOM 0 HG23 THR A 83 -3.626 -2.265 12.842 1.00 0.00 H new ATOM 1181 N LEU A 84 -3.878 -3.285 9.398 1.00 0.00 N ATOM 1182 CA LEU A 84 -4.619 -3.994 8.369 1.00 0.00 C ATOM 1183 C LEU A 84 -6.015 -4.335 8.895 1.00 0.00 C ATOM 1184 O LEU A 84 -6.248 -4.318 10.102 1.00 0.00 O ATOM 1185 CB LEU A 84 -3.830 -5.212 7.884 1.00 0.00 C ATOM 1186 CG LEU A 84 -2.402 -4.939 7.407 1.00 0.00 C ATOM 1187 CD1 LEU A 84 -1.743 -6.220 6.891 1.00 0.00 C ATOM 1188 CD2 LEU A 84 -2.377 -3.821 6.362 1.00 0.00 C ATOM 0 H LEU A 84 -3.748 -3.806 10.265 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.754 -3.361 7.492 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.788 -5.940 8.695 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.382 -5.676 7.067 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.816 -4.596 8.260 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.729 -5.999 6.558 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.709 -6.959 7.691 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.321 -6.616 6.056 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.350 -3.647 6.040 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.982 -4.112 5.503 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.780 -2.907 6.797 1.00 0.00 H new ATOM 1200 N GLN A 85 -6.906 -4.637 7.962 1.00 0.00 N ATOM 1201 CA GLN A 85 -8.273 -4.981 8.316 1.00 0.00 C ATOM 1202 C GLN A 85 -8.534 -6.464 8.044 1.00 0.00 C ATOM 1203 O GLN A 85 -8.420 -6.919 6.907 1.00 0.00 O ATOM 1204 CB GLN A 85 -9.273 -4.101 7.565 1.00 0.00 C ATOM 1205 CG GLN A 85 -10.676 -4.711 7.600 1.00 0.00 C ATOM 1206 CD GLN A 85 -11.664 -3.860 6.800 1.00 0.00 C ATOM 1207 OE1 GLN A 85 -11.620 -3.791 5.583 1.00 0.00 O ATOM 1208 NE2 GLN A 85 -12.556 -3.218 7.549 1.00 0.00 N ATOM 0 H GLN A 85 -6.708 -4.651 6.961 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.409 -4.798 9.382 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -9.294 -3.107 8.011 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.951 -3.980 6.531 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.647 -5.721 7.192 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -11.015 -4.794 8.633 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -12.537 -3.319 8.564 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -13.259 -2.624 7.109 1.00 0.00 H new ATOM 1217 N ARG A 86 -8.880 -7.176 9.106 1.00 0.00 N ATOM 1218 CA ARG A 86 -9.159 -8.598 8.995 1.00 0.00 C ATOM 1219 C ARG A 86 -10.551 -8.821 8.402 1.00 0.00 C ATOM 1220 O ARG A 86 -11.446 -7.996 8.580 1.00 0.00 O ATOM 1221 CB ARG A 86 -9.078 -9.283 10.361 1.00 0.00 C ATOM 1222 CG ARG A 86 -10.378 -9.097 11.145 1.00 0.00 C ATOM 1223 CD ARG A 86 -10.639 -7.617 11.432 1.00 0.00 C ATOM 1224 NE ARG A 86 -11.738 -7.477 12.414 1.00 0.00 N ATOM 1225 CZ ARG A 86 -11.586 -7.627 13.737 1.00 0.00 C ATOM 1226 NH1 ARG A 86 -10.382 -7.921 14.244 1.00 0.00 N ATOM 1227 NH2 ARG A 86 -12.640 -7.482 14.552 1.00 0.00 N ATOM 0 H ARG A 86 -8.974 -6.795 10.048 1.00 0.00 H new ATOM 0 HA ARG A 86 -8.407 -9.033 8.338 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -8.879 -10.346 10.227 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.244 -8.871 10.929 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -11.211 -9.514 10.579 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -10.323 -9.649 12.083 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -9.734 -7.148 11.818 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -10.898 -7.099 10.508 1.00 0.00 H new ATOM 0 HE ARG A 86 -12.669 -7.252 12.062 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -9.580 -8.031 13.623 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -10.267 -8.035 15.251 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -13.557 -7.258 14.165 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -12.525 -7.596 15.559 1.00 0.00 H new