USER MOD reduce.3.24.130724 H: found=0, std=0, add=1017, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1013 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 100 SER OG : rot -152:sc= 0.297 USER MOD Set 1.2: A 101 THR OG1 : rot 73:sc= 1.26 USER MOD Set 2.1: A 23 MET CE :methyl 138:sc= -0.151 (180deg=-0.295) USER MOD Set 2.2: A 53 MET CE :methyl -155:sc= -0.508 (180deg=-2.3!) USER MOD Set 3.1: A 35 ASN : amide:sc= 1.13 K(o=2.4,f=-6.6!) USER MOD Set 3.2: A 38 LYS NZ :NH3+ 174:sc= 1.27 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= 0.24 K(o=0.24,f=-0.98) USER MOD Single : A 14 LYS NZ :NH3+ -164:sc= -0.0144 (180deg=-0.194) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -170:sc= -0.109 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -1.53 K(o=-1.5,f=-2.4) USER MOD Single : A 48 THR OG1 : rot 102:sc= 0.0887 USER MOD Single : A 56 SER OG : rot -30:sc= 0.243 USER MOD Single : A 57 THR OG1 : rot -41:sc= 0.0624 USER MOD Single : A 58 LYS NZ :NH3+ -166:sc= 1.04 (180deg=0.81) USER MOD Single : A 60 ASN : amide:sc= -0.0823 K(o=-0.082,f=-4.2!) USER MOD Single : A 61 MET CE :methyl -159:sc= -0.0945 (180deg=-0.759) USER MOD Single : A 67 ASN : amide:sc= -0.0754 X(o=-0.075,f=-0.0041) USER MOD Single : A 69 HIS : no HD1:sc=-0.00143 X(o=-0.0014,f=0) USER MOD Single : A 70 HIS : no HD1:sc= -0.0239 X(o=-0.024,f=-0.035) USER MOD Single : A 72 ASN : amide:sc= -0.0467 K(o=-0.047,f=-2!) USER MOD Single : A 74 MET CE :methyl 176:sc= 0 (180deg=-0.034) USER MOD Single : A 78 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0153) USER MOD Single : A 79 LYS NZ :NH3+ 144:sc= 0.98 (180deg=-2.27!) USER MOD Single : A 80 HIS : no HD1:sc= -0.881 K(o=-0.88,f=-2.3!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 GLN : amide:sc= -0.126 K(o=-0.13,f=-2.4!) USER MOD Single : A 95 HIS : no HD1:sc= -0.0946 X(o=-0.095,f=-0.0051) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= 0.836 K(o=0.84,f=-7.6!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 THR OG1 : rot 95:sc= 1.31 USER MOD Single : A 116 THR OG1 : rot 85:sc= 1.27 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 HIS : no HD1:sc= -0.156 X(o=-0.16,f=-0.027) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 ASN : amide:sc= -0.0489 X(o=-0.049,f=-0.049) USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 131 MET CE :methyl -115:sc= -0.0777 (180deg=-1.96!) USER MOD ----------------------------------------------------------------- ATOM 113 N LEU A 8 1.899 5.662 10.247 1.00 0.00 N ATOM 114 CA LEU A 8 1.554 5.810 8.843 1.00 0.00 C ATOM 115 C LEU A 8 1.308 7.279 8.487 1.00 0.00 C ATOM 116 O LEU A 8 0.211 7.817 8.641 1.00 0.00 O ATOM 117 CB LEU A 8 0.411 4.831 8.561 1.00 0.00 C ATOM 118 CG LEU A 8 -0.231 4.833 7.174 1.00 0.00 C ATOM 119 CD1 LEU A 8 -1.330 5.885 7.050 1.00 0.00 C ATOM 120 CD2 LEU A 8 0.791 4.958 6.046 1.00 0.00 C ATOM 0 HA LEU A 8 2.371 5.544 8.173 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.783 3.824 8.752 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.376 5.023 9.290 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.700 3.855 7.063 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.757 5.849 6.048 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.110 5.684 7.784 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.909 6.874 7.230 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.275 4.954 5.086 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.343 5.891 6.157 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.485 4.118 6.089 1.00 0.00 H new ATOM 132 N SER A 9 2.362 7.954 8.037 1.00 0.00 N ATOM 133 CA SER A 9 2.284 9.372 7.724 1.00 0.00 C ATOM 134 C SER A 9 1.397 9.613 6.487 1.00 0.00 C ATOM 135 O SER A 9 0.671 10.614 6.459 1.00 0.00 O ATOM 136 CB SER A 9 3.705 9.919 7.546 1.00 0.00 C ATOM 137 OG SER A 9 4.016 10.944 8.469 1.00 0.00 O ATOM 0 H SER A 9 3.280 7.538 7.882 1.00 0.00 H new ATOM 0 HA SER A 9 1.811 9.911 8.545 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.420 9.104 7.660 1.00 0.00 H new ATOM 0 HB3 SER A 9 3.818 10.303 6.532 1.00 0.00 H new ATOM 0 HG SER A 9 4.932 11.257 8.314 1.00 0.00 H new ATOM 143 N LEU A 10 1.403 8.699 5.502 1.00 0.00 N ATOM 144 CA LEU A 10 0.679 8.871 4.237 1.00 0.00 C ATOM 145 C LEU A 10 -0.824 9.173 4.423 1.00 0.00 C ATOM 146 O LEU A 10 -1.464 8.705 5.362 1.00 0.00 O ATOM 147 CB LEU A 10 0.919 7.707 3.246 1.00 0.00 C ATOM 148 CG LEU A 10 2.276 7.581 2.493 1.00 0.00 C ATOM 149 CD1 LEU A 10 2.100 6.849 1.157 1.00 0.00 C ATOM 150 CD2 LEU A 10 2.932 8.931 2.189 1.00 0.00 C ATOM 0 H LEU A 10 1.913 7.818 5.564 1.00 0.00 H new ATOM 0 HA LEU A 10 1.110 9.764 3.784 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.769 6.779 3.797 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.135 7.760 2.491 1.00 0.00 H new ATOM 0 HG LEU A 10 2.921 7.021 3.170 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.064 6.775 0.653 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.708 5.848 1.339 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.403 7.402 0.528 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.873 8.768 1.664 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.266 9.527 1.565 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.124 9.460 3.122 1.00 0.00 H new ATOM 162 N ASN A 11 -1.412 9.957 3.514 1.00 0.00 N ATOM 163 CA ASN A 11 -2.766 10.523 3.621 1.00 0.00 C ATOM 164 C ASN A 11 -3.861 9.509 3.247 1.00 0.00 C ATOM 165 O ASN A 11 -4.684 9.723 2.351 1.00 0.00 O ATOM 166 CB ASN A 11 -2.837 11.804 2.775 1.00 0.00 C ATOM 167 CG ASN A 11 -4.200 12.502 2.775 1.00 0.00 C ATOM 168 OD1 ASN A 11 -4.981 12.419 3.722 1.00 0.00 O ATOM 169 ND2 ASN A 11 -4.519 13.206 1.704 1.00 0.00 N ATOM 0 H ASN A 11 -0.942 10.227 2.650 1.00 0.00 H new ATOM 0 HA ASN A 11 -2.961 10.776 4.663 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -2.086 12.505 3.140 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -2.571 11.558 1.747 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -5.418 13.686 1.658 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -3.866 13.270 0.923 1.00 0.00 H new ATOM 176 N PHE A 12 -3.862 8.352 3.906 1.00 0.00 N ATOM 177 CA PHE A 12 -4.715 7.237 3.537 1.00 0.00 C ATOM 178 C PHE A 12 -6.183 7.481 3.844 1.00 0.00 C ATOM 179 O PHE A 12 -7.019 7.029 3.065 1.00 0.00 O ATOM 180 CB PHE A 12 -4.209 5.951 4.190 1.00 0.00 C ATOM 181 CG PHE A 12 -3.170 5.272 3.326 1.00 0.00 C ATOM 182 CD1 PHE A 12 -3.587 4.593 2.166 1.00 0.00 C ATOM 183 CD2 PHE A 12 -1.798 5.412 3.595 1.00 0.00 C ATOM 184 CE1 PHE A 12 -2.636 4.085 1.266 1.00 0.00 C ATOM 185 CE2 PHE A 12 -0.852 4.863 2.714 1.00 0.00 C ATOM 186 CZ PHE A 12 -1.269 4.230 1.542 1.00 0.00 C ATOM 0 H PHE A 12 -3.267 8.166 4.713 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.657 7.130 2.454 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.781 6.179 5.166 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.045 5.272 4.359 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -4.641 4.462 1.967 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.471 5.941 4.478 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.957 3.584 0.364 1.00 0.00 H new ATOM 0 HE2 PHE A 12 0.201 4.931 2.944 1.00 0.00 H new ATOM 0 HZ PHE A 12 -0.536 3.851 0.845 1.00 0.00 H new ATOM 196 N GLY A 13 -6.524 8.184 4.929 1.00 0.00 N ATOM 197 CA GLY A 13 -7.915 8.379 5.334 1.00 0.00 C ATOM 198 C GLY A 13 -8.749 8.980 4.203 1.00 0.00 C ATOM 199 O GLY A 13 -9.755 8.404 3.785 1.00 0.00 O ATOM 0 H GLY A 13 -5.846 8.631 5.546 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.344 7.424 5.636 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -7.953 9.035 6.204 1.00 0.00 H new ATOM 203 N LYS A 14 -8.292 10.107 3.648 1.00 0.00 N ATOM 204 CA LYS A 14 -8.987 10.764 2.546 1.00 0.00 C ATOM 205 C LYS A 14 -9.060 9.860 1.326 1.00 0.00 C ATOM 206 O LYS A 14 -10.151 9.651 0.808 1.00 0.00 O ATOM 207 CB LYS A 14 -8.317 12.111 2.211 1.00 0.00 C ATOM 208 CG LYS A 14 -9.110 13.283 2.800 1.00 0.00 C ATOM 209 CD LYS A 14 -10.374 13.587 1.975 1.00 0.00 C ATOM 210 CE LYS A 14 -10.098 14.413 0.712 1.00 0.00 C ATOM 211 NZ LYS A 14 -9.618 15.775 1.026 1.00 0.00 N ATOM 0 H LYS A 14 -7.440 10.582 3.948 1.00 0.00 H new ATOM 0 HA LYS A 14 -10.011 10.967 2.860 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -7.300 12.122 2.603 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.243 12.225 1.130 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.393 13.052 3.827 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -8.477 14.169 2.836 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -10.846 12.647 1.689 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -11.087 14.123 2.602 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -9.355 13.900 0.101 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -11.009 14.479 0.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -9.703 16.376 0.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -10.191 16.176 1.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -8.622 15.732 1.322 1.00 0.00 H new ATOM 225 N ALA A 15 -7.929 9.325 0.862 1.00 0.00 N ATOM 226 CA ALA A 15 -7.903 8.494 -0.336 1.00 0.00 C ATOM 227 C ALA A 15 -8.832 7.277 -0.199 1.00 0.00 C ATOM 228 O ALA A 15 -9.531 6.926 -1.149 1.00 0.00 O ATOM 229 CB ALA A 15 -6.460 8.070 -0.593 1.00 0.00 C ATOM 0 H ALA A 15 -7.018 9.455 1.302 1.00 0.00 H new ATOM 0 HA ALA A 15 -8.274 9.066 -1.186 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.418 7.447 -1.486 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.841 8.955 -0.739 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.089 7.505 0.262 1.00 0.00 H new ATOM 235 N LEU A 16 -8.879 6.648 0.981 1.00 0.00 N ATOM 236 CA LEU A 16 -9.787 5.546 1.291 1.00 0.00 C ATOM 237 C LEU A 16 -11.233 5.996 1.181 1.00 0.00 C ATOM 238 O LEU A 16 -12.017 5.253 0.594 1.00 0.00 O ATOM 239 CB LEU A 16 -9.557 5.036 2.724 1.00 0.00 C ATOM 240 CG LEU A 16 -8.409 4.031 2.847 1.00 0.00 C ATOM 241 CD1 LEU A 16 -8.039 3.836 4.307 1.00 0.00 C ATOM 242 CD2 LEU A 16 -8.800 2.644 2.337 1.00 0.00 C ATOM 0 H LEU A 16 -8.272 6.899 1.762 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.586 4.750 0.574 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.353 5.887 3.374 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.474 4.571 3.086 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.588 4.439 2.257 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.221 3.119 4.383 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.726 4.789 4.734 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.903 3.460 4.854 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.954 1.965 2.444 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -9.643 2.268 2.916 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.082 2.709 1.286 1.00 0.00 H new ATOM 254 N ASP A 17 -11.578 7.175 1.709 1.00 0.00 N ATOM 255 CA ASP A 17 -12.922 7.765 1.652 1.00 0.00 C ATOM 256 C ASP A 17 -13.334 8.094 0.209 1.00 0.00 C ATOM 257 O ASP A 17 -14.477 8.447 -0.053 1.00 0.00 O ATOM 258 CB ASP A 17 -12.985 9.038 2.524 1.00 0.00 C ATOM 259 CG ASP A 17 -14.390 9.455 3.013 1.00 0.00 C ATOM 260 OD1 ASP A 17 -15.436 8.945 2.556 1.00 0.00 O ATOM 261 OD2 ASP A 17 -14.441 10.311 3.929 1.00 0.00 O ATOM 0 H ASP A 17 -10.909 7.765 2.204 1.00 0.00 H new ATOM 0 HA ASP A 17 -13.624 7.027 2.041 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -12.348 8.889 3.396 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -12.559 9.865 1.956 1.00 0.00 H new ATOM 266 N GLU A 18 -12.429 8.016 -0.764 1.00 0.00 N ATOM 267 CA GLU A 18 -12.719 8.286 -2.167 1.00 0.00 C ATOM 268 C GLU A 18 -12.821 6.952 -2.901 1.00 0.00 C ATOM 269 O GLU A 18 -13.824 6.664 -3.549 1.00 0.00 O ATOM 270 CB GLU A 18 -11.623 9.197 -2.740 1.00 0.00 C ATOM 271 CG GLU A 18 -11.405 10.487 -1.944 1.00 0.00 C ATOM 272 CD GLU A 18 -12.123 11.686 -2.528 1.00 0.00 C ATOM 273 OE1 GLU A 18 -11.595 12.293 -3.486 1.00 0.00 O ATOM 274 OE2 GLU A 18 -13.202 12.062 -2.015 1.00 0.00 O ATOM 0 H GLU A 18 -11.457 7.759 -0.595 1.00 0.00 H new ATOM 0 HA GLU A 18 -13.668 8.809 -2.289 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -10.686 8.642 -2.776 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -11.880 9.455 -3.767 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.744 10.334 -0.919 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.337 10.700 -1.898 1.00 0.00 H new ATOM 281 N CYS A 19 -11.836 6.076 -2.700 1.00 0.00 N ATOM 282 CA CYS A 19 -11.842 4.704 -3.177 1.00 0.00 C ATOM 283 C CYS A 19 -13.123 3.967 -2.778 1.00 0.00 C ATOM 284 O CYS A 19 -13.768 3.334 -3.610 1.00 0.00 O ATOM 285 CB CYS A 19 -10.582 4.013 -2.638 1.00 0.00 C ATOM 286 SG CYS A 19 -9.158 4.226 -3.724 1.00 0.00 S ATOM 0 H CYS A 19 -10.989 6.315 -2.184 1.00 0.00 H new ATOM 0 HA CYS A 19 -11.828 4.689 -4.267 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -10.346 4.413 -1.652 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -10.782 2.949 -2.511 1.00 0.00 H new ATOM 291 N LYS A 20 -13.551 4.092 -1.522 1.00 0.00 N ATOM 292 CA LYS A 20 -14.768 3.456 -1.030 1.00 0.00 C ATOM 293 C LYS A 20 -16.020 3.971 -1.726 1.00 0.00 C ATOM 294 O LYS A 20 -17.056 3.316 -1.621 1.00 0.00 O ATOM 295 CB LYS A 20 -14.867 3.605 0.496 1.00 0.00 C ATOM 296 CG LYS A 20 -15.025 5.050 0.982 1.00 0.00 C ATOM 297 CD LYS A 20 -16.447 5.580 1.110 1.00 0.00 C ATOM 298 CE LYS A 20 -17.150 4.930 2.301 1.00 0.00 C ATOM 299 NZ LYS A 20 -18.520 5.443 2.423 1.00 0.00 N ATOM 0 H LYS A 20 -13.060 4.640 -0.816 1.00 0.00 H new ATOM 0 HA LYS A 20 -14.704 2.395 -1.272 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.715 3.020 0.852 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -13.973 3.178 0.949 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -14.542 5.136 1.955 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -14.481 5.700 0.297 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -16.429 6.663 1.236 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -17.003 5.375 0.195 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -17.169 3.848 2.175 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -16.595 5.134 3.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -18.988 4.994 3.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -18.494 6.473 2.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -19.050 5.226 1.555 1.00 0.00 H new ATOM 313 N LYS A 21 -15.969 5.124 -2.395 1.00 0.00 N ATOM 314 CA LYS A 21 -17.043 5.608 -3.238 1.00 0.00 C ATOM 315 C LYS A 21 -16.882 4.952 -4.607 1.00 0.00 C ATOM 316 O LYS A 21 -17.791 4.252 -5.033 1.00 0.00 O ATOM 317 CB LYS A 21 -17.086 7.150 -3.265 1.00 0.00 C ATOM 318 CG LYS A 21 -17.179 7.706 -1.830 1.00 0.00 C ATOM 319 CD LYS A 21 -17.234 9.238 -1.741 1.00 0.00 C ATOM 320 CE LYS A 21 -17.351 9.619 -0.256 1.00 0.00 C ATOM 321 NZ LYS A 21 -17.155 11.057 0.018 1.00 0.00 N ATOM 0 H LYS A 21 -15.165 5.751 -2.360 1.00 0.00 H new ATOM 0 HA LYS A 21 -18.019 5.327 -2.842 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -16.193 7.537 -3.756 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -17.942 7.487 -3.849 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -18.068 7.295 -1.352 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -16.319 7.353 -1.261 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -16.338 9.678 -2.179 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -18.085 9.623 -2.302 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -18.335 9.322 0.107 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -16.616 9.049 0.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -17.249 11.232 1.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -16.206 11.344 -0.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -17.871 11.609 -0.495 1.00 0.00 H new ATOM 335 N GLU A 22 -15.717 5.073 -5.251 1.00 0.00 N ATOM 336 CA GLU A 22 -15.493 4.579 -6.617 1.00 0.00 C ATOM 337 C GLU A 22 -15.747 3.079 -6.791 1.00 0.00 C ATOM 338 O GLU A 22 -16.127 2.659 -7.887 1.00 0.00 O ATOM 339 CB GLU A 22 -14.064 4.892 -7.091 1.00 0.00 C ATOM 340 CG GLU A 22 -13.871 6.392 -7.318 1.00 0.00 C ATOM 341 CD GLU A 22 -12.503 6.717 -7.918 1.00 0.00 C ATOM 342 OE1 GLU A 22 -12.281 6.503 -9.132 1.00 0.00 O ATOM 343 OE2 GLU A 22 -11.663 7.311 -7.200 1.00 0.00 O ATOM 0 H GLU A 22 -14.897 5.519 -4.839 1.00 0.00 H new ATOM 0 HA GLU A 22 -16.226 5.107 -7.226 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.347 4.539 -6.350 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.859 4.353 -8.016 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -14.653 6.760 -7.982 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -13.984 6.918 -6.370 1.00 0.00 H new ATOM 350 N MET A 23 -15.524 2.260 -5.757 1.00 0.00 N ATOM 351 CA MET A 23 -15.841 0.832 -5.785 1.00 0.00 C ATOM 352 C MET A 23 -17.118 0.485 -5.014 1.00 0.00 C ATOM 353 O MET A 23 -17.509 -0.682 -4.999 1.00 0.00 O ATOM 354 CB MET A 23 -14.693 -0.047 -5.273 1.00 0.00 C ATOM 355 CG MET A 23 -13.343 0.593 -4.987 1.00 0.00 C ATOM 356 SD MET A 23 -11.972 -0.578 -4.989 1.00 0.00 S ATOM 357 CE MET A 23 -11.787 -0.775 -6.775 1.00 0.00 C ATOM 0 H MET A 23 -15.117 2.572 -4.875 1.00 0.00 H new ATOM 0 HA MET A 23 -16.003 0.615 -6.841 1.00 0.00 H new ATOM 0 HB2 MET A 23 -15.031 -0.526 -4.354 1.00 0.00 H new ATOM 0 HB3 MET A 23 -14.533 -0.838 -6.005 1.00 0.00 H new ATOM 0 HG2 MET A 23 -13.151 1.365 -5.732 1.00 0.00 H new ATOM 0 HG3 MET A 23 -13.384 1.089 -4.017 1.00 0.00 H new ATOM 0 HE1 MET A 23 -10.728 -0.781 -7.033 1.00 0.00 H new ATOM 0 HE2 MET A 23 -12.241 -1.716 -7.086 1.00 0.00 H new ATOM 0 HE3 MET A 23 -12.280 0.052 -7.285 1.00 0.00 H new ATOM 367 N THR A 24 -17.750 1.463 -4.366 1.00 0.00 N ATOM 368 CA THR A 24 -18.787 1.303 -3.351 1.00 0.00 C ATOM 369 C THR A 24 -18.406 0.186 -2.363 1.00 0.00 C ATOM 370 O THR A 24 -19.058 -0.859 -2.274 1.00 0.00 O ATOM 371 CB THR A 24 -20.173 1.183 -4.003 1.00 0.00 C ATOM 372 OG1 THR A 24 -20.270 2.090 -5.087 1.00 0.00 O ATOM 373 CG2 THR A 24 -21.274 1.523 -2.995 1.00 0.00 C ATOM 0 H THR A 24 -17.539 2.444 -4.547 1.00 0.00 H new ATOM 0 HA THR A 24 -18.859 2.199 -2.734 1.00 0.00 H new ATOM 0 HB THR A 24 -20.298 0.157 -4.350 1.00 0.00 H new ATOM 0 HG1 THR A 24 -21.154 2.010 -5.502 1.00 0.00 H new ATOM 0 HG21 THR A 24 -22.248 1.432 -3.476 1.00 0.00 H new ATOM 0 HG22 THR A 24 -21.220 0.835 -2.151 1.00 0.00 H new ATOM 0 HG23 THR A 24 -21.139 2.544 -2.639 1.00 0.00 H new ATOM 381 N LEU A 25 -17.301 0.402 -1.641 1.00 0.00 N ATOM 382 CA LEU A 25 -16.835 -0.479 -0.571 1.00 0.00 C ATOM 383 C LEU A 25 -17.646 -0.185 0.702 1.00 0.00 C ATOM 384 O LEU A 25 -18.679 0.493 0.660 1.00 0.00 O ATOM 385 CB LEU A 25 -15.307 -0.363 -0.337 1.00 0.00 C ATOM 386 CG LEU A 25 -14.414 -0.566 -1.581 1.00 0.00 C ATOM 387 CD1 LEU A 25 -12.955 -0.285 -1.210 1.00 0.00 C ATOM 388 CD2 LEU A 25 -14.498 -1.984 -2.156 1.00 0.00 C ATOM 0 H LEU A 25 -16.696 1.210 -1.789 1.00 0.00 H new ATOM 0 HA LEU A 25 -17.002 -1.515 -0.866 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -15.097 0.622 0.080 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -15.018 -1.096 0.416 1.00 0.00 H new ATOM 0 HG LEU A 25 -14.776 0.125 -2.342 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -12.323 -0.428 -2.086 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -12.861 0.742 -0.858 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -12.642 -0.969 -0.421 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -13.848 -2.062 -3.028 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -14.180 -2.702 -1.401 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -15.526 -2.197 -2.449 1.00 0.00 H new ATOM 400 N THR A 26 -17.218 -0.746 1.828 1.00 0.00 N ATOM 401 CA THR A 26 -17.831 -0.543 3.128 1.00 0.00 C ATOM 402 C THR A 26 -17.440 0.833 3.697 1.00 0.00 C ATOM 403 O THR A 26 -16.599 1.540 3.142 1.00 0.00 O ATOM 404 CB THR A 26 -17.388 -1.701 4.046 1.00 0.00 C ATOM 405 OG1 THR A 26 -15.979 -1.762 4.055 1.00 0.00 O ATOM 406 CG2 THR A 26 -17.923 -3.054 3.569 1.00 0.00 C ATOM 0 H THR A 26 -16.413 -1.371 1.858 1.00 0.00 H new ATOM 0 HA THR A 26 -18.918 -0.547 3.050 1.00 0.00 H new ATOM 0 HB THR A 26 -17.789 -1.506 5.041 1.00 0.00 H new ATOM 0 HG1 THR A 26 -15.690 -2.584 4.504 1.00 0.00 H new ATOM 0 HG21 THR A 26 -17.585 -3.838 4.246 1.00 0.00 H new ATOM 0 HG22 THR A 26 -19.013 -3.030 3.556 1.00 0.00 H new ATOM 0 HG23 THR A 26 -17.553 -3.258 2.564 1.00 0.00 H new ATOM 414 N ASP A 27 -18.028 1.213 4.836 1.00 0.00 N ATOM 415 CA ASP A 27 -17.471 2.241 5.720 1.00 0.00 C ATOM 416 C ASP A 27 -16.255 1.683 6.474 1.00 0.00 C ATOM 417 O ASP A 27 -15.312 2.424 6.748 1.00 0.00 O ATOM 418 CB ASP A 27 -18.546 2.713 6.717 1.00 0.00 C ATOM 419 CG ASP A 27 -18.197 4.022 7.434 1.00 0.00 C ATOM 420 OD1 ASP A 27 -17.618 4.925 6.794 1.00 0.00 O ATOM 421 OD2 ASP A 27 -18.663 4.246 8.574 1.00 0.00 O ATOM 0 H ASP A 27 -18.905 0.815 5.171 1.00 0.00 H new ATOM 0 HA ASP A 27 -17.150 3.092 5.119 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -19.489 2.842 6.185 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -18.704 1.933 7.462 1.00 0.00 H new ATOM 426 N ALA A 28 -16.266 0.366 6.756 1.00 0.00 N ATOM 427 CA ALA A 28 -15.335 -0.347 7.633 1.00 0.00 C ATOM 428 C ALA A 28 -13.874 -0.174 7.234 1.00 0.00 C ATOM 429 O ALA A 28 -13.024 -0.108 8.119 1.00 0.00 O ATOM 430 CB ALA A 28 -15.663 -1.847 7.658 1.00 0.00 C ATOM 0 H ALA A 28 -16.965 -0.257 6.353 1.00 0.00 H new ATOM 0 HA ALA A 28 -15.463 0.094 8.622 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -14.962 -2.362 8.314 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -16.678 -1.991 8.027 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -15.582 -2.254 6.650 1.00 0.00 H new ATOM 436 N ILE A 29 -13.584 -0.063 5.933 1.00 0.00 N ATOM 437 CA ILE A 29 -12.258 0.247 5.394 1.00 0.00 C ATOM 438 C ILE A 29 -11.567 1.408 6.130 1.00 0.00 C ATOM 439 O ILE A 29 -10.338 1.443 6.149 1.00 0.00 O ATOM 440 CB ILE A 29 -12.294 0.341 3.848 1.00 0.00 C ATOM 441 CG1 ILE A 29 -13.259 1.425 3.337 1.00 0.00 C ATOM 442 CG2 ILE A 29 -12.642 -1.008 3.195 1.00 0.00 C ATOM 443 CD1 ILE A 29 -12.514 2.746 3.331 1.00 0.00 C ATOM 0 H ILE A 29 -14.287 -0.190 5.206 1.00 0.00 H new ATOM 0 HA ILE A 29 -11.593 -0.590 5.604 1.00 0.00 H new ATOM 0 HB ILE A 29 -11.283 0.625 3.554 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -13.611 1.181 2.335 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -14.139 1.486 3.978 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -12.656 -0.895 2.111 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -11.894 -1.750 3.473 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -13.623 -1.336 3.538 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -13.175 3.535 2.972 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -12.183 2.982 4.342 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -11.648 2.672 2.674 1.00 0.00 H new ATOM 455 N ASN A 30 -12.311 2.324 6.766 1.00 0.00 N ATOM 456 CA ASN A 30 -11.736 3.477 7.451 1.00 0.00 C ATOM 457 C ASN A 30 -10.760 3.089 8.559 1.00 0.00 C ATOM 458 O ASN A 30 -9.825 3.842 8.846 1.00 0.00 O ATOM 459 CB ASN A 30 -12.840 4.318 8.096 1.00 0.00 C ATOM 460 CG ASN A 30 -12.272 5.651 8.552 1.00 0.00 C ATOM 461 OD1 ASN A 30 -12.062 5.892 9.740 1.00 0.00 O ATOM 462 ND2 ASN A 30 -11.962 6.533 7.621 1.00 0.00 N ATOM 0 H ASN A 30 -13.329 2.281 6.817 1.00 0.00 H new ATOM 0 HA ASN A 30 -11.198 4.036 6.685 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -13.648 4.482 7.383 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.267 3.785 8.945 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -11.544 7.426 7.883 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.141 6.322 6.639 1.00 0.00 H new ATOM 469 N GLU A 31 -10.991 1.935 9.187 1.00 0.00 N ATOM 470 CA GLU A 31 -10.119 1.372 10.212 1.00 0.00 C ATOM 471 C GLU A 31 -9.707 -0.059 9.876 1.00 0.00 C ATOM 472 O GLU A 31 -8.607 -0.467 10.239 1.00 0.00 O ATOM 473 CB GLU A 31 -10.780 1.432 11.596 1.00 0.00 C ATOM 474 CG GLU A 31 -11.002 2.872 12.077 1.00 0.00 C ATOM 475 CD GLU A 31 -10.942 2.967 13.601 1.00 0.00 C ATOM 476 OE1 GLU A 31 -11.935 2.656 14.294 1.00 0.00 O ATOM 477 OE2 GLU A 31 -9.882 3.380 14.133 1.00 0.00 O ATOM 0 H GLU A 31 -11.807 1.356 8.991 1.00 0.00 H new ATOM 0 HA GLU A 31 -9.216 1.982 10.237 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -11.737 0.912 11.561 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.156 0.903 12.317 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -10.245 3.524 11.640 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -11.970 3.229 11.727 1.00 0.00 H new ATOM 484 N ASP A 32 -10.520 -0.824 9.146 1.00 0.00 N ATOM 485 CA ASP A 32 -10.187 -2.216 8.853 1.00 0.00 C ATOM 486 C ASP A 32 -9.010 -2.319 7.883 1.00 0.00 C ATOM 487 O ASP A 32 -8.245 -3.281 7.934 1.00 0.00 O ATOM 488 CB ASP A 32 -11.402 -2.989 8.332 1.00 0.00 C ATOM 489 CG ASP A 32 -11.138 -4.493 8.406 1.00 0.00 C ATOM 490 OD1 ASP A 32 -11.067 -5.024 9.544 1.00 0.00 O ATOM 491 OD2 ASP A 32 -11.032 -5.144 7.343 1.00 0.00 O ATOM 0 H ASP A 32 -11.405 -0.506 8.751 1.00 0.00 H new ATOM 0 HA ASP A 32 -9.882 -2.678 9.792 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -12.283 -2.737 8.922 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -11.613 -2.699 7.303 1.00 0.00 H new ATOM 496 N PHE A 33 -8.804 -1.306 7.033 1.00 0.00 N ATOM 497 CA PHE A 33 -7.604 -1.202 6.208 1.00 0.00 C ATOM 498 C PHE A 33 -6.364 -1.176 7.101 1.00 0.00 C ATOM 499 O PHE A 33 -5.398 -1.885 6.830 1.00 0.00 O ATOM 500 CB PHE A 33 -7.692 0.066 5.354 1.00 0.00 C ATOM 501 CG PHE A 33 -6.535 0.326 4.407 1.00 0.00 C ATOM 502 CD1 PHE A 33 -6.497 -0.301 3.147 1.00 0.00 C ATOM 503 CD2 PHE A 33 -5.557 1.283 4.735 1.00 0.00 C ATOM 504 CE1 PHE A 33 -5.510 0.055 2.210 1.00 0.00 C ATOM 505 CE2 PHE A 33 -4.588 1.657 3.788 1.00 0.00 C ATOM 506 CZ PHE A 33 -4.561 1.043 2.528 1.00 0.00 C ATOM 0 H PHE A 33 -9.464 -0.540 6.901 1.00 0.00 H new ATOM 0 HA PHE A 33 -7.528 -2.066 5.548 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -8.609 0.019 4.767 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -7.785 0.922 6.023 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -7.227 -1.057 2.899 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -5.551 1.732 5.717 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -5.481 -0.431 1.246 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -3.863 2.419 4.032 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.813 1.328 1.803 1.00 0.00 H new ATOM 516 N TYR A 34 -6.420 -0.386 8.171 1.00 0.00 N ATOM 517 CA TYR A 34 -5.360 -0.190 9.151 1.00 0.00 C ATOM 518 C TYR A 34 -5.166 -1.454 10.002 1.00 0.00 C ATOM 519 O TYR A 34 -4.037 -1.827 10.320 1.00 0.00 O ATOM 520 CB TYR A 34 -5.682 1.038 10.016 1.00 0.00 C ATOM 521 CG TYR A 34 -5.784 2.352 9.244 1.00 0.00 C ATOM 522 CD1 TYR A 34 -6.888 2.614 8.409 1.00 0.00 C ATOM 523 CD2 TYR A 34 -4.749 3.302 9.324 1.00 0.00 C ATOM 524 CE1 TYR A 34 -6.944 3.792 7.646 1.00 0.00 C ATOM 525 CE2 TYR A 34 -4.773 4.471 8.538 1.00 0.00 C ATOM 526 CZ TYR A 34 -5.895 4.735 7.721 1.00 0.00 C ATOM 527 OH TYR A 34 -5.979 5.905 7.035 1.00 0.00 O ATOM 0 H TYR A 34 -7.252 0.163 8.387 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.418 -0.006 8.635 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.624 0.863 10.535 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -4.911 1.140 10.780 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.699 1.903 8.355 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -3.923 3.132 9.999 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -7.790 3.977 7.001 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -3.941 5.159 8.560 1.00 0.00 H new ATOM 0 HH TYR A 34 -5.173 6.438 7.198 1.00 0.00 H new ATOM 537 N ASN A 35 -6.263 -2.142 10.346 1.00 0.00 N ATOM 538 CA ASN A 35 -6.245 -3.422 11.073 1.00 0.00 C ATOM 539 C ASN A 35 -5.320 -4.445 10.420 1.00 0.00 C ATOM 540 O ASN A 35 -4.701 -5.221 11.145 1.00 0.00 O ATOM 541 CB ASN A 35 -7.628 -4.097 11.189 1.00 0.00 C ATOM 542 CG ASN A 35 -8.564 -3.532 12.243 1.00 0.00 C ATOM 543 OD1 ASN A 35 -8.137 -2.885 13.196 1.00 0.00 O ATOM 544 ND2 ASN A 35 -9.852 -3.803 12.112 1.00 0.00 N ATOM 0 H ASN A 35 -7.205 -1.820 10.124 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.891 -3.143 12.065 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -8.123 -4.031 10.220 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -7.476 -5.156 11.398 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -10.516 -3.473 12.812 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -10.181 -4.342 11.311 1.00 0.00 H new ATOM 551 N PHE A 36 -5.225 -4.458 9.084 1.00 0.00 N ATOM 552 CA PHE A 36 -4.429 -5.429 8.333 1.00 0.00 C ATOM 553 C PHE A 36 -2.996 -5.543 8.873 1.00 0.00 C ATOM 554 O PHE A 36 -2.424 -6.633 8.890 1.00 0.00 O ATOM 555 CB PHE A 36 -4.446 -5.059 6.839 1.00 0.00 C ATOM 556 CG PHE A 36 -3.551 -5.873 5.913 1.00 0.00 C ATOM 557 CD1 PHE A 36 -3.456 -7.274 6.035 1.00 0.00 C ATOM 558 CD2 PHE A 36 -2.780 -5.218 4.930 1.00 0.00 C ATOM 559 CE1 PHE A 36 -2.549 -7.990 5.234 1.00 0.00 C ATOM 560 CE2 PHE A 36 -1.913 -5.943 4.097 1.00 0.00 C ATOM 561 CZ PHE A 36 -1.781 -7.330 4.261 1.00 0.00 C ATOM 0 H PHE A 36 -5.707 -3.784 8.489 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.878 -6.414 8.458 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.472 -5.146 6.481 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.164 -4.010 6.747 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.080 -7.798 6.744 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.857 -4.147 4.817 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.442 -9.056 5.368 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.348 -5.433 3.331 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.093 -7.887 3.643 1.00 0.00 H new ATOM 571 N TRP A 37 -2.421 -4.424 9.316 1.00 0.00 N ATOM 572 CA TRP A 37 -0.999 -4.311 9.609 1.00 0.00 C ATOM 573 C TRP A 37 -0.648 -4.697 11.042 1.00 0.00 C ATOM 574 O TRP A 37 0.532 -4.642 11.408 1.00 0.00 O ATOM 575 CB TRP A 37 -0.543 -2.870 9.373 1.00 0.00 C ATOM 576 CG TRP A 37 -1.252 -2.130 8.292 1.00 0.00 C ATOM 577 CD1 TRP A 37 -1.597 -2.623 7.082 1.00 0.00 C ATOM 578 CD2 TRP A 37 -1.692 -0.749 8.312 1.00 0.00 C ATOM 579 NE1 TRP A 37 -2.290 -1.661 6.385 1.00 0.00 N ATOM 580 CE2 TRP A 37 -2.294 -0.460 7.058 1.00 0.00 C ATOM 581 CE3 TRP A 37 -1.574 0.309 9.236 1.00 0.00 C ATOM 582 CZ2 TRP A 37 -2.685 0.837 6.706 1.00 0.00 C ATOM 583 CZ3 TRP A 37 -1.982 1.611 8.899 1.00 0.00 C ATOM 584 CH2 TRP A 37 -2.525 1.880 7.630 1.00 0.00 C ATOM 0 H TRP A 37 -2.940 -3.562 9.482 1.00 0.00 H new ATOM 0 HA TRP A 37 -0.488 -5.007 8.944 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -0.661 -2.315 10.304 1.00 0.00 H new ATOM 0 HB3 TRP A 37 0.522 -2.880 9.141 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.366 -3.614 6.720 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -2.743 -1.817 5.485 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -1.164 0.116 10.217 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -3.106 1.033 5.731 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -1.878 2.409 9.619 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -2.818 2.886 7.368 1.00 0.00 H new ATOM 595 N LYS A 38 -1.644 -5.006 11.867 1.00 0.00 N ATOM 596 CA LYS A 38 -1.452 -5.429 13.242 1.00 0.00 C ATOM 597 C LYS A 38 -0.919 -6.856 13.192 1.00 0.00 C ATOM 598 O LYS A 38 -1.325 -7.637 12.325 1.00 0.00 O ATOM 599 CB LYS A 38 -2.800 -5.306 13.967 1.00 0.00 C ATOM 600 CG LYS A 38 -3.244 -3.835 14.032 1.00 0.00 C ATOM 601 CD LYS A 38 -4.650 -3.651 14.606 1.00 0.00 C ATOM 602 CE LYS A 38 -4.988 -2.157 14.543 1.00 0.00 C ATOM 603 NZ LYS A 38 -6.346 -1.857 15.030 1.00 0.00 N ATOM 0 H LYS A 38 -2.625 -4.967 11.589 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.737 -4.817 13.792 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.554 -5.897 13.448 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.716 -5.712 14.975 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.534 -3.275 14.641 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.210 -3.408 13.030 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.375 -4.231 14.035 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.693 -4.010 15.634 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.263 -1.600 15.136 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -4.891 -1.810 13.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.484 -0.827 15.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.046 -2.281 14.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.467 -2.251 15.985 1.00 0.00 H new ATOM 617 N GLU A 39 0.015 -7.206 14.072 1.00 0.00 N ATOM 618 CA GLU A 39 0.546 -8.560 14.063 1.00 0.00 C ATOM 619 C GLU A 39 -0.531 -9.531 14.559 1.00 0.00 C ATOM 620 O GLU A 39 -1.272 -9.252 15.508 1.00 0.00 O ATOM 621 CB GLU A 39 1.862 -8.653 14.850 1.00 0.00 C ATOM 622 CG GLU A 39 3.024 -8.111 14.002 1.00 0.00 C ATOM 623 CD GLU A 39 4.384 -8.646 14.449 1.00 0.00 C ATOM 624 OE1 GLU A 39 4.679 -9.837 14.208 1.00 0.00 O ATOM 625 OE2 GLU A 39 5.192 -7.881 15.027 1.00 0.00 O ATOM 0 H GLU A 39 0.409 -6.588 14.781 1.00 0.00 H new ATOM 0 HA GLU A 39 0.802 -8.847 13.043 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.782 -8.084 15.777 1.00 0.00 H new ATOM 0 HB3 GLU A 39 2.056 -9.689 15.128 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.860 -8.376 12.958 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.031 -7.022 14.057 1.00 0.00 H new ATOM 632 N GLY A 40 -0.626 -10.682 13.895 1.00 0.00 N ATOM 633 CA GLY A 40 -1.551 -11.763 14.211 1.00 0.00 C ATOM 634 C GLY A 40 -2.984 -11.507 13.742 1.00 0.00 C ATOM 635 O GLY A 40 -3.882 -12.289 14.062 1.00 0.00 O ATOM 0 H GLY A 40 -0.036 -10.893 13.090 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.188 -12.684 13.754 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.555 -11.922 15.289 1.00 0.00 H new ATOM 639 N TYR A 41 -3.239 -10.412 13.032 1.00 0.00 N ATOM 640 CA TYR A 41 -4.503 -10.085 12.386 1.00 0.00 C ATOM 641 C TYR A 41 -4.409 -10.658 10.961 1.00 0.00 C ATOM 642 O TYR A 41 -3.544 -10.234 10.195 1.00 0.00 O ATOM 643 CB TYR A 41 -4.645 -8.550 12.412 1.00 0.00 C ATOM 644 CG TYR A 41 -5.837 -7.952 13.152 1.00 0.00 C ATOM 645 CD1 TYR A 41 -7.131 -7.916 12.590 1.00 0.00 C ATOM 646 CD2 TYR A 41 -5.608 -7.301 14.378 1.00 0.00 C ATOM 647 CE1 TYR A 41 -8.174 -7.235 13.247 1.00 0.00 C ATOM 648 CE2 TYR A 41 -6.627 -6.565 15.005 1.00 0.00 C ATOM 649 CZ TYR A 41 -7.925 -6.541 14.451 1.00 0.00 C ATOM 650 OH TYR A 41 -8.934 -5.857 15.060 1.00 0.00 O ATOM 0 H TYR A 41 -2.531 -9.692 12.885 1.00 0.00 H new ATOM 0 HA TYR A 41 -5.382 -10.504 12.875 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -3.737 -8.138 12.854 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -4.684 -8.201 11.380 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -7.322 -8.414 11.651 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -4.636 -7.368 14.843 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -9.169 -7.244 12.828 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -6.417 -6.017 15.912 1.00 0.00 H new ATOM 0 HH TYR A 41 -8.597 -5.436 15.878 1.00 0.00 H new ATOM 660 N GLU A 42 -5.234 -11.643 10.594 1.00 0.00 N ATOM 661 CA GLU A 42 -5.259 -12.260 9.272 1.00 0.00 C ATOM 662 C GLU A 42 -6.527 -11.796 8.543 1.00 0.00 C ATOM 663 O GLU A 42 -7.615 -12.342 8.746 1.00 0.00 O ATOM 664 CB GLU A 42 -5.183 -13.791 9.378 1.00 0.00 C ATOM 665 CG GLU A 42 -3.824 -14.366 8.965 1.00 0.00 C ATOM 666 CD GLU A 42 -3.911 -15.834 8.530 1.00 0.00 C ATOM 667 OE1 GLU A 42 -4.540 -16.684 9.208 1.00 0.00 O ATOM 668 OE2 GLU A 42 -3.399 -16.147 7.433 1.00 0.00 O ATOM 0 H GLU A 42 -5.923 -12.043 11.231 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.386 -11.949 8.698 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.397 -14.087 10.405 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.960 -14.230 8.751 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.416 -13.772 8.147 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.128 -14.279 9.800 1.00 0.00 H new ATOM 675 N ILE A 43 -6.414 -10.750 7.722 1.00 0.00 N ATOM 676 CA ILE A 43 -7.534 -10.115 7.043 1.00 0.00 C ATOM 677 C ILE A 43 -7.583 -10.683 5.625 1.00 0.00 C ATOM 678 O ILE A 43 -7.030 -10.101 4.690 1.00 0.00 O ATOM 679 CB ILE A 43 -7.382 -8.577 7.041 1.00 0.00 C ATOM 680 CG1 ILE A 43 -7.294 -7.882 8.413 1.00 0.00 C ATOM 681 CG2 ILE A 43 -8.608 -7.969 6.357 1.00 0.00 C ATOM 682 CD1 ILE A 43 -6.163 -8.321 9.317 1.00 0.00 C ATOM 0 H ILE A 43 -5.517 -10.314 7.509 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.470 -10.325 7.561 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.429 -8.411 6.538 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -7.202 -6.809 8.247 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -8.235 -8.044 8.939 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.518 -6.883 6.347 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.674 -8.337 5.333 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.508 -8.253 6.903 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.206 -7.762 10.251 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.258 -9.386 9.527 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.209 -8.132 8.824 1.00 0.00 H new ATOM 694 N LYS A 44 -8.229 -11.830 5.435 1.00 0.00 N ATOM 695 CA LYS A 44 -8.299 -12.471 4.121 1.00 0.00 C ATOM 696 C LYS A 44 -9.557 -12.056 3.347 1.00 0.00 C ATOM 697 O LYS A 44 -9.873 -12.685 2.335 1.00 0.00 O ATOM 698 CB LYS A 44 -8.109 -13.995 4.235 1.00 0.00 C ATOM 699 CG LYS A 44 -6.795 -14.340 4.965 1.00 0.00 C ATOM 700 CD LYS A 44 -6.330 -15.790 4.800 1.00 0.00 C ATOM 701 CE LYS A 44 -5.580 -15.983 3.479 1.00 0.00 C ATOM 702 NZ LYS A 44 -4.814 -17.246 3.433 1.00 0.00 N ATOM 0 H LYS A 44 -8.713 -12.338 6.175 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.465 -12.109 3.520 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.952 -14.430 4.772 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -8.102 -14.439 3.239 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -6.009 -13.678 4.602 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.921 -14.132 6.028 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.682 -16.064 5.633 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -7.191 -16.457 4.833 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.294 -15.967 2.656 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.899 -15.145 3.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.327 -17.324 2.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.112 -17.254 4.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.463 -18.050 3.549 1.00 0.00 H new ATOM 716 N ASN A 45 -10.297 -11.038 3.808 1.00 0.00 N ATOM 717 CA ASN A 45 -11.479 -10.576 3.087 1.00 0.00 C ATOM 718 C ASN A 45 -11.082 -9.814 1.819 1.00 0.00 C ATOM 719 O ASN A 45 -9.965 -9.327 1.687 1.00 0.00 O ATOM 720 CB ASN A 45 -12.420 -9.710 3.948 1.00 0.00 C ATOM 721 CG ASN A 45 -13.737 -9.538 3.187 1.00 0.00 C ATOM 722 OD1 ASN A 45 -14.308 -10.507 2.696 1.00 0.00 O ATOM 723 ND2 ASN A 45 -14.162 -8.328 2.884 1.00 0.00 N ATOM 0 H ASN A 45 -10.097 -10.527 4.668 1.00 0.00 H new ATOM 0 HA ASN A 45 -12.034 -11.474 2.815 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -12.597 -10.185 4.913 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -11.967 -8.739 4.149 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -14.953 -8.209 2.251 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -13.700 -7.511 3.282 1.00 0.00 H new ATOM 730 N ARG A 46 -12.033 -9.672 0.896 1.00 0.00 N ATOM 731 CA ARG A 46 -11.884 -9.012 -0.395 1.00 0.00 C ATOM 732 C ARG A 46 -11.451 -7.567 -0.195 1.00 0.00 C ATOM 733 O ARG A 46 -10.402 -7.168 -0.689 1.00 0.00 O ATOM 734 CB ARG A 46 -13.162 -9.093 -1.263 1.00 0.00 C ATOM 735 CG ARG A 46 -13.958 -10.367 -1.058 1.00 0.00 C ATOM 736 CD ARG A 46 -15.330 -10.399 -1.738 1.00 0.00 C ATOM 737 NE ARG A 46 -15.569 -9.393 -2.798 1.00 0.00 N ATOM 738 CZ ARG A 46 -16.521 -8.442 -2.795 1.00 0.00 C ATOM 739 NH1 ARG A 46 -17.318 -8.265 -1.750 1.00 0.00 N ATOM 740 NH2 ARG A 46 -16.690 -7.643 -3.839 1.00 0.00 N ATOM 0 H ARG A 46 -12.976 -10.034 1.039 1.00 0.00 H new ATOM 0 HA ARG A 46 -11.109 -9.547 -0.944 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -13.798 -8.237 -1.038 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -12.883 -9.015 -2.314 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -13.369 -11.207 -1.426 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -14.098 -10.520 0.012 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -15.473 -11.389 -2.170 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -16.094 -10.273 -0.970 1.00 0.00 H new ATOM 0 HE ARG A 46 -14.952 -9.424 -3.610 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -17.216 -8.856 -0.925 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -18.033 -7.537 -1.771 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -16.094 -7.744 -4.660 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -17.416 -6.927 -3.821 1.00 0.00 H new ATOM 754 N GLU A 47 -12.285 -6.787 0.500 1.00 0.00 N ATOM 755 CA GLU A 47 -12.307 -5.320 0.462 1.00 0.00 C ATOM 756 C GLU A 47 -10.959 -4.669 0.781 1.00 0.00 C ATOM 757 O GLU A 47 -10.680 -3.580 0.284 1.00 0.00 O ATOM 758 CB GLU A 47 -13.407 -4.811 1.406 1.00 0.00 C ATOM 759 CG GLU A 47 -14.810 -5.048 0.804 1.00 0.00 C ATOM 760 CD GLU A 47 -15.891 -5.470 1.804 1.00 0.00 C ATOM 761 OE1 GLU A 47 -15.610 -5.678 3.002 1.00 0.00 O ATOM 762 OE2 GLU A 47 -17.039 -5.703 1.357 1.00 0.00 O ATOM 0 H GLU A 47 -12.990 -7.174 1.128 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.524 -5.026 -0.565 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.330 -5.319 2.367 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.264 -3.747 1.596 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -15.134 -4.132 0.309 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -14.732 -5.816 0.034 1.00 0.00 H new ATOM 769 N THR A 48 -10.113 -5.352 1.541 1.00 0.00 N ATOM 770 CA THR A 48 -8.734 -5.005 1.827 1.00 0.00 C ATOM 771 C THR A 48 -7.934 -4.841 0.529 1.00 0.00 C ATOM 772 O THR A 48 -7.332 -3.793 0.291 1.00 0.00 O ATOM 773 CB THR A 48 -8.172 -6.116 2.733 1.00 0.00 C ATOM 774 OG1 THR A 48 -9.183 -6.507 3.645 1.00 0.00 O ATOM 775 CG2 THR A 48 -6.886 -5.714 3.463 1.00 0.00 C ATOM 0 H THR A 48 -10.393 -6.218 2.002 1.00 0.00 H new ATOM 0 HA THR A 48 -8.662 -4.045 2.339 1.00 0.00 H new ATOM 0 HB THR A 48 -7.887 -6.957 2.101 1.00 0.00 H new ATOM 0 HG1 THR A 48 -9.586 -7.349 3.346 1.00 0.00 H new ATOM 0 HG21 THR A 48 -6.545 -6.543 4.083 1.00 0.00 H new ATOM 0 HG22 THR A 48 -6.115 -5.466 2.733 1.00 0.00 H new ATOM 0 HG23 THR A 48 -7.081 -4.846 4.093 1.00 0.00 H new ATOM 783 N GLY A 49 -7.959 -5.860 -0.334 1.00 0.00 N ATOM 784 CA GLY A 49 -7.292 -5.841 -1.623 1.00 0.00 C ATOM 785 C GLY A 49 -7.920 -4.809 -2.537 1.00 0.00 C ATOM 786 O GLY A 49 -7.183 -4.104 -3.211 1.00 0.00 O ATOM 0 H GLY A 49 -8.453 -6.732 -0.146 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.234 -5.617 -1.487 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.353 -6.827 -2.084 1.00 0.00 H new ATOM 790 N CYS A 50 -9.253 -4.689 -2.547 1.00 0.00 N ATOM 791 CA CYS A 50 -9.969 -3.655 -3.275 1.00 0.00 C ATOM 792 C CYS A 50 -9.408 -2.274 -2.911 1.00 0.00 C ATOM 793 O CYS A 50 -9.020 -1.527 -3.805 1.00 0.00 O ATOM 794 CB CYS A 50 -11.480 -3.709 -2.991 1.00 0.00 C ATOM 795 SG CYS A 50 -12.473 -5.218 -3.288 1.00 0.00 S ATOM 0 H CYS A 50 -9.868 -5.323 -2.037 1.00 0.00 H new ATOM 0 HA CYS A 50 -9.826 -3.832 -4.341 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -11.611 -3.449 -1.941 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -11.938 -2.912 -3.577 1.00 0.00 H new ATOM 800 N ALA A 51 -9.330 -1.943 -1.612 1.00 0.00 N ATOM 801 CA ALA A 51 -8.778 -0.673 -1.158 1.00 0.00 C ATOM 802 C ALA A 51 -7.350 -0.511 -1.670 1.00 0.00 C ATOM 803 O ALA A 51 -7.076 0.515 -2.275 1.00 0.00 O ATOM 804 CB ALA A 51 -8.864 -0.515 0.374 1.00 0.00 C ATOM 0 H ALA A 51 -9.648 -2.550 -0.857 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.385 0.130 -1.577 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -8.441 0.446 0.665 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -9.907 -0.562 0.687 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.305 -1.318 0.855 1.00 0.00 H new ATOM 810 N ILE A 52 -6.452 -1.484 -1.476 1.00 0.00 N ATOM 811 CA ILE A 52 -5.068 -1.407 -1.958 1.00 0.00 C ATOM 812 C ILE A 52 -5.061 -1.113 -3.471 1.00 0.00 C ATOM 813 O ILE A 52 -4.470 -0.137 -3.908 1.00 0.00 O ATOM 814 CB ILE A 52 -4.308 -2.696 -1.550 1.00 0.00 C ATOM 815 CG1 ILE A 52 -4.171 -2.741 -0.009 1.00 0.00 C ATOM 816 CG2 ILE A 52 -2.911 -2.803 -2.189 1.00 0.00 C ATOM 817 CD1 ILE A 52 -3.610 -4.056 0.537 1.00 0.00 C ATOM 0 H ILE A 52 -6.665 -2.349 -0.979 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.532 -0.580 -1.492 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.891 -3.541 -1.916 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.524 -1.924 0.310 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.150 -2.565 0.436 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.432 -3.726 -1.864 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.007 -2.807 -3.275 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.304 -1.951 -1.881 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.547 -4.001 1.624 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.267 -4.878 0.252 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.616 -4.227 0.124 1.00 0.00 H new ATOM 829 N MET A 53 -5.763 -1.912 -4.264 1.00 0.00 N ATOM 830 CA MET A 53 -5.795 -1.869 -5.722 1.00 0.00 C ATOM 831 C MET A 53 -6.442 -0.593 -6.288 1.00 0.00 C ATOM 832 O MET A 53 -6.081 -0.136 -7.369 1.00 0.00 O ATOM 833 CB MET A 53 -6.547 -3.134 -6.133 1.00 0.00 C ATOM 834 CG MET A 53 -6.687 -3.378 -7.629 1.00 0.00 C ATOM 835 SD MET A 53 -8.228 -2.778 -8.355 1.00 0.00 S ATOM 836 CE MET A 53 -9.464 -3.535 -7.266 1.00 0.00 C ATOM 0 H MET A 53 -6.359 -2.649 -3.887 1.00 0.00 H new ATOM 0 HA MET A 53 -4.786 -1.837 -6.133 1.00 0.00 H new ATOM 0 HB2 MET A 53 -6.040 -3.992 -5.692 1.00 0.00 H new ATOM 0 HB3 MET A 53 -7.545 -3.095 -5.697 1.00 0.00 H new ATOM 0 HG2 MET A 53 -5.851 -2.900 -8.140 1.00 0.00 H new ATOM 0 HG3 MET A 53 -6.606 -4.449 -7.817 1.00 0.00 H new ATOM 0 HE1 MET A 53 -10.407 -3.640 -7.803 1.00 0.00 H new ATOM 0 HE2 MET A 53 -9.116 -4.518 -6.949 1.00 0.00 H new ATOM 0 HE3 MET A 53 -9.614 -2.903 -6.391 1.00 0.00 H new ATOM 846 N CYS A 54 -7.384 0.028 -5.578 1.00 0.00 N ATOM 847 CA CYS A 54 -7.840 1.373 -5.926 1.00 0.00 C ATOM 848 C CYS A 54 -6.800 2.409 -5.492 1.00 0.00 C ATOM 849 O CYS A 54 -6.522 3.381 -6.195 1.00 0.00 O ATOM 850 CB CYS A 54 -9.204 1.642 -5.292 1.00 0.00 C ATOM 851 SG CYS A 54 -9.782 3.349 -5.455 1.00 0.00 S ATOM 0 H CYS A 54 -7.844 -0.377 -4.762 1.00 0.00 H new ATOM 0 HA CYS A 54 -7.954 1.450 -7.007 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -9.939 0.978 -5.746 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -9.155 1.388 -4.233 1.00 0.00 H new ATOM 856 N LEU A 55 -6.201 2.230 -4.318 1.00 0.00 N ATOM 857 CA LEU A 55 -5.218 3.167 -3.799 1.00 0.00 C ATOM 858 C LEU A 55 -3.934 3.197 -4.622 1.00 0.00 C ATOM 859 O LEU A 55 -3.230 4.207 -4.586 1.00 0.00 O ATOM 860 CB LEU A 55 -4.945 2.875 -2.320 1.00 0.00 C ATOM 861 CG LEU A 55 -6.136 3.301 -1.442 1.00 0.00 C ATOM 862 CD1 LEU A 55 -5.988 2.698 -0.048 1.00 0.00 C ATOM 863 CD2 LEU A 55 -6.236 4.823 -1.355 1.00 0.00 C ATOM 0 H LEU A 55 -6.384 1.435 -3.705 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.640 4.168 -3.884 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.753 1.811 -2.186 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.047 3.404 -2.001 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.054 2.931 -1.898 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.832 3.001 0.571 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.965 1.611 -0.122 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.061 3.051 0.404 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.085 5.097 -0.729 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.321 5.223 -0.920 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.374 5.236 -2.354 1.00 0.00 H new ATOM 875 N SER A 56 -3.651 2.163 -5.415 1.00 0.00 N ATOM 876 CA SER A 56 -2.512 2.155 -6.313 1.00 0.00 C ATOM 877 C SER A 56 -2.698 3.122 -7.496 1.00 0.00 C ATOM 878 O SER A 56 -1.739 3.406 -8.211 1.00 0.00 O ATOM 879 CB SER A 56 -2.148 0.705 -6.664 1.00 0.00 C ATOM 880 OG SER A 56 -3.131 -0.016 -7.365 1.00 0.00 O ATOM 0 H SER A 56 -4.210 1.310 -5.448 1.00 0.00 H new ATOM 0 HA SER A 56 -1.632 2.563 -5.816 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.235 0.713 -7.259 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.922 0.172 -5.740 1.00 0.00 H new ATOM 0 HG SER A 56 -4.019 0.319 -7.121 1.00 0.00 H new ATOM 886 N THR A 57 -3.869 3.765 -7.633 1.00 0.00 N ATOM 887 CA THR A 57 -4.119 4.863 -8.574 1.00 0.00 C ATOM 888 C THR A 57 -4.482 6.152 -7.800 1.00 0.00 C ATOM 889 O THR A 57 -5.185 7.031 -8.306 1.00 0.00 O ATOM 890 CB THR A 57 -5.097 4.376 -9.670 1.00 0.00 C ATOM 891 OG1 THR A 57 -5.185 5.278 -10.750 1.00 0.00 O ATOM 892 CG2 THR A 57 -6.516 4.066 -9.191 1.00 0.00 C ATOM 0 H THR A 57 -4.689 3.527 -7.075 1.00 0.00 H new ATOM 0 HA THR A 57 -3.228 5.157 -9.129 1.00 0.00 H new ATOM 0 HB THR A 57 -4.649 3.435 -9.990 1.00 0.00 H new ATOM 0 HG1 THR A 57 -5.206 6.196 -10.408 1.00 0.00 H new ATOM 0 HG21 THR A 57 -7.120 3.733 -10.035 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.482 3.280 -8.437 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.959 4.964 -8.760 1.00 0.00 H new ATOM 900 N LYS A 58 -4.025 6.260 -6.539 1.00 0.00 N ATOM 901 CA LYS A 58 -4.278 7.390 -5.635 1.00 0.00 C ATOM 902 C LYS A 58 -2.999 7.900 -4.969 1.00 0.00 C ATOM 903 O LYS A 58 -3.103 8.619 -3.981 1.00 0.00 O ATOM 904 CB LYS A 58 -5.311 6.989 -4.562 1.00 0.00 C ATOM 905 CG LYS A 58 -6.700 6.666 -5.128 1.00 0.00 C ATOM 906 CD LYS A 58 -7.679 7.804 -4.945 1.00 0.00 C ATOM 907 CE LYS A 58 -8.979 7.405 -5.628 1.00 0.00 C ATOM 908 NZ LYS A 58 -8.906 7.584 -7.092 1.00 0.00 N ATOM 0 H LYS A 58 -3.449 5.536 -6.109 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.675 8.206 -6.239 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.939 6.120 -4.020 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.403 7.800 -3.839 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.611 6.434 -6.189 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.090 5.773 -4.638 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.847 7.999 -3.886 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.284 8.723 -5.379 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.205 6.363 -5.400 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -9.798 8.003 -5.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.863 7.534 -7.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.487 8.511 -7.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.316 6.833 -7.505 1.00 0.00 H new ATOM 922 N LEU A 59 -1.799 7.573 -5.455 1.00 0.00 N ATOM 923 CA LEU A 59 -0.527 8.015 -4.858 1.00 0.00 C ATOM 924 C LEU A 59 -0.522 9.534 -4.667 1.00 0.00 C ATOM 925 O LEU A 59 -0.180 10.019 -3.595 1.00 0.00 O ATOM 926 CB LEU A 59 0.684 7.615 -5.733 1.00 0.00 C ATOM 927 CG LEU A 59 0.661 6.194 -6.322 1.00 0.00 C ATOM 928 CD1 LEU A 59 1.852 5.964 -7.258 1.00 0.00 C ATOM 929 CD2 LEU A 59 0.637 5.116 -5.239 1.00 0.00 C ATOM 0 H LEU A 59 -1.677 6.988 -6.282 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.439 7.520 -3.891 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.760 8.325 -6.556 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.589 7.722 -5.134 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.263 6.113 -6.894 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.809 4.951 -7.659 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.814 6.681 -8.078 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.781 6.096 -6.704 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.621 4.131 -5.706 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.526 5.207 -4.615 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.253 5.239 -4.623 1.00 0.00 H new ATOM 941 N ASN A 60 -1.027 10.254 -5.668 1.00 0.00 N ATOM 942 CA ASN A 60 -1.242 11.702 -5.709 1.00 0.00 C ATOM 943 C ASN A 60 -2.108 12.246 -4.564 1.00 0.00 C ATOM 944 O ASN A 60 -2.069 13.443 -4.278 1.00 0.00 O ATOM 945 CB ASN A 60 -1.919 12.052 -7.047 1.00 0.00 C ATOM 946 CG ASN A 60 -3.301 11.414 -7.193 1.00 0.00 C ATOM 947 OD1 ASN A 60 -3.439 10.198 -7.075 1.00 0.00 O ATOM 948 ND2 ASN A 60 -4.342 12.172 -7.469 1.00 0.00 N ATOM 0 H ASN A 60 -1.319 9.808 -6.537 1.00 0.00 H new ATOM 0 HA ASN A 60 -0.262 12.167 -5.600 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.012 13.135 -7.130 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.283 11.723 -7.869 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.263 11.750 -7.585 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.227 13.181 -7.567 1.00 0.00 H new ATOM 955 N MET A 61 -2.915 11.408 -3.919 1.00 0.00 N ATOM 956 CA MET A 61 -3.686 11.757 -2.734 1.00 0.00 C ATOM 957 C MET A 61 -2.842 11.534 -1.483 1.00 0.00 C ATOM 958 O MET A 61 -2.936 12.312 -0.535 1.00 0.00 O ATOM 959 CB MET A 61 -4.935 10.863 -2.628 1.00 0.00 C ATOM 960 CG MET A 61 -5.823 10.855 -3.880 1.00 0.00 C ATOM 961 SD MET A 61 -6.745 12.381 -4.181 1.00 0.00 S ATOM 962 CE MET A 61 -7.868 12.299 -2.758 1.00 0.00 C ATOM 0 H MET A 61 -3.053 10.442 -4.216 1.00 0.00 H new ATOM 0 HA MET A 61 -3.980 12.803 -2.815 1.00 0.00 H new ATOM 0 HB2 MET A 61 -4.618 9.842 -2.417 1.00 0.00 H new ATOM 0 HB3 MET A 61 -5.531 11.194 -1.778 1.00 0.00 H new ATOM 0 HG2 MET A 61 -5.197 10.651 -4.748 1.00 0.00 H new ATOM 0 HG3 MET A 61 -6.532 10.031 -3.797 1.00 0.00 H new ATOM 0 HE1 MET A 61 -8.743 12.920 -2.949 1.00 0.00 H new ATOM 0 HE2 MET A 61 -8.183 11.267 -2.602 1.00 0.00 H new ATOM 0 HE3 MET A 61 -7.354 12.660 -1.867 1.00 0.00 H new ATOM 972 N LEU A 62 -2.128 10.399 -1.455 1.00 0.00 N ATOM 973 CA LEU A 62 -1.457 9.814 -0.300 1.00 0.00 C ATOM 974 C LEU A 62 -0.209 10.587 0.045 1.00 0.00 C ATOM 975 O LEU A 62 0.036 10.891 1.213 1.00 0.00 O ATOM 976 CB LEU A 62 -1.102 8.344 -0.592 1.00 0.00 C ATOM 977 CG LEU A 62 -2.324 7.509 -0.979 1.00 0.00 C ATOM 978 CD1 LEU A 62 -1.963 6.165 -1.589 1.00 0.00 C ATOM 979 CD2 LEU A 62 -3.199 7.316 0.252 1.00 0.00 C ATOM 0 H LEU A 62 -2.000 9.835 -2.295 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.134 9.860 0.553 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.369 8.304 -1.398 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.631 7.906 0.288 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.865 8.054 -1.752 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.875 5.623 -1.841 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.373 6.322 -2.492 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.382 5.584 -0.872 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.074 6.722 -0.013 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.630 6.800 1.025 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.521 8.288 0.626 1.00 0.00 H new ATOM 991 N ASP A 63 0.581 10.851 -0.981 1.00 0.00 N ATOM 992 CA ASP A 63 1.834 11.546 -0.963 1.00 0.00 C ATOM 993 C ASP A 63 1.614 13.033 -1.225 1.00 0.00 C ATOM 994 O ASP A 63 1.360 13.427 -2.370 1.00 0.00 O ATOM 995 CB ASP A 63 2.744 10.809 -1.944 1.00 0.00 C ATOM 996 CG ASP A 63 3.624 11.529 -2.926 1.00 0.00 C ATOM 997 OD1 ASP A 63 4.612 12.146 -2.450 1.00 0.00 O ATOM 998 OD2 ASP A 63 3.419 11.359 -4.143 1.00 0.00 O ATOM 0 H ASP A 63 0.330 10.554 -1.924 1.00 0.00 H new ATOM 0 HA ASP A 63 2.331 11.538 0.007 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.398 10.175 -1.346 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.103 10.147 -2.527 1.00 0.00 H new ATOM 1003 N PRO A 64 1.643 13.877 -0.173 1.00 0.00 N ATOM 1004 CA PRO A 64 1.486 15.306 -0.344 1.00 0.00 C ATOM 1005 C PRO A 64 2.665 15.938 -1.059 1.00 0.00 C ATOM 1006 O PRO A 64 2.471 16.930 -1.758 1.00 0.00 O ATOM 1007 CB PRO A 64 1.342 15.889 1.065 1.00 0.00 C ATOM 1008 CG PRO A 64 2.024 14.859 1.959 1.00 0.00 C ATOM 1009 CD PRO A 64 1.709 13.552 1.247 1.00 0.00 C ATOM 0 HA PRO A 64 0.616 15.515 -0.967 1.00 0.00 H new ATOM 0 HB2 PRO A 64 1.820 16.866 1.144 1.00 0.00 H new ATOM 0 HB3 PRO A 64 0.295 16.023 1.337 1.00 0.00 H new ATOM 0 HG2 PRO A 64 3.097 15.033 2.034 1.00 0.00 H new ATOM 0 HG3 PRO A 64 1.627 14.875 2.974 1.00 0.00 H new ATOM 0 HD2 PRO A 64 2.479 12.806 1.442 1.00 0.00 H new ATOM 0 HD3 PRO A 64 0.765 13.134 1.597 1.00 0.00 H new ATOM 1017 N GLU A 65 3.861 15.365 -0.941 1.00 0.00 N ATOM 1018 CA GLU A 65 4.969 15.801 -1.765 1.00 0.00 C ATOM 1019 C GLU A 65 4.711 15.443 -3.230 1.00 0.00 C ATOM 1020 O GLU A 65 5.329 16.057 -4.098 1.00 0.00 O ATOM 1021 CB GLU A 65 6.316 15.232 -1.315 1.00 0.00 C ATOM 1022 CG GLU A 65 6.655 15.445 0.159 1.00 0.00 C ATOM 1023 CD GLU A 65 7.980 14.763 0.501 1.00 0.00 C ATOM 1024 OE1 GLU A 65 8.016 13.508 0.526 1.00 0.00 O ATOM 1025 OE2 GLU A 65 8.995 15.471 0.721 1.00 0.00 O ATOM 0 H GLU A 65 4.079 14.610 -0.291 1.00 0.00 H new ATOM 0 HA GLU A 65 5.033 16.883 -1.652 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.327 14.162 -1.522 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.103 15.682 -1.920 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.721 16.512 0.374 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.858 15.042 0.785 1.00 0.00 H new ATOM 1032 N GLY A 66 3.838 14.475 -3.547 1.00 0.00 N ATOM 1033 CA GLY A 66 3.568 14.127 -4.939 1.00 0.00 C ATOM 1034 C GLY A 66 4.736 13.400 -5.628 1.00 0.00 C ATOM 1035 O GLY A 66 4.706 13.155 -6.835 1.00 0.00 O ATOM 0 H GLY A 66 3.315 13.928 -2.863 1.00 0.00 H new ATOM 0 HA2 GLY A 66 2.681 13.495 -4.982 1.00 0.00 H new ATOM 0 HA3 GLY A 66 3.338 15.036 -5.494 1.00 0.00 H new ATOM 1039 N ASN A 67 5.762 13.042 -4.854 1.00 0.00 N ATOM 1040 CA ASN A 67 7.039 12.456 -5.243 1.00 0.00 C ATOM 1041 C ASN A 67 6.941 10.979 -5.598 1.00 0.00 C ATOM 1042 O ASN A 67 7.854 10.439 -6.232 1.00 0.00 O ATOM 1043 CB ASN A 67 7.996 12.580 -4.039 1.00 0.00 C ATOM 1044 CG ASN A 67 8.749 13.896 -4.023 1.00 0.00 C ATOM 1045 OD1 ASN A 67 9.959 13.918 -3.839 1.00 0.00 O ATOM 1046 ND2 ASN A 67 8.069 15.016 -4.187 1.00 0.00 N ATOM 0 H ASN A 67 5.711 13.169 -3.843 1.00 0.00 H new ATOM 0 HA ASN A 67 7.387 12.987 -6.129 1.00 0.00 H new ATOM 0 HB2 ASN A 67 7.426 12.481 -3.115 1.00 0.00 H new ATOM 0 HB3 ASN A 67 8.711 11.757 -4.062 1.00 0.00 H new ATOM 0 HD21 ASN A 67 8.552 15.914 -4.161 1.00 0.00 H new ATOM 0 HD22 ASN A 67 7.061 14.983 -4.340 1.00 0.00 H new ATOM 1053 N LEU A 68 5.905 10.296 -5.122 1.00 0.00 N ATOM 1054 CA LEU A 68 5.710 8.870 -5.286 1.00 0.00 C ATOM 1055 C LEU A 68 4.979 8.663 -6.609 1.00 0.00 C ATOM 1056 O LEU A 68 3.756 8.796 -6.674 1.00 0.00 O ATOM 1057 CB LEU A 68 4.929 8.346 -4.072 1.00 0.00 C ATOM 1058 CG LEU A 68 4.670 6.835 -4.101 1.00 0.00 C ATOM 1059 CD1 LEU A 68 5.967 6.020 -4.042 1.00 0.00 C ATOM 1060 CD2 LEU A 68 3.785 6.499 -2.900 1.00 0.00 C ATOM 0 H LEU A 68 5.155 10.741 -4.594 1.00 0.00 H new ATOM 0 HA LEU A 68 6.646 8.313 -5.326 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.480 8.592 -3.165 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.973 8.867 -4.016 1.00 0.00 H new ATOM 0 HG LEU A 68 4.183 6.574 -5.041 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.730 4.956 -4.065 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.594 6.271 -4.898 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.501 6.252 -3.121 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.579 5.429 -2.888 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.298 6.780 -1.980 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.846 7.048 -2.975 1.00 0.00 H new ATOM 1072 N HIS A 69 5.723 8.401 -7.682 1.00 0.00 N ATOM 1073 CA HIS A 69 5.149 8.045 -8.975 1.00 0.00 C ATOM 1074 C HIS A 69 4.919 6.538 -9.038 1.00 0.00 C ATOM 1075 O HIS A 69 5.527 5.762 -8.296 1.00 0.00 O ATOM 1076 CB HIS A 69 6.101 8.447 -10.108 1.00 0.00 C ATOM 1077 CG HIS A 69 6.445 9.915 -10.223 1.00 0.00 C ATOM 1078 ND1 HIS A 69 7.531 10.411 -10.904 1.00 0.00 N ATOM 1079 CD2 HIS A 69 5.812 10.983 -9.642 1.00 0.00 C ATOM 1080 CE1 HIS A 69 7.563 11.742 -10.732 1.00 0.00 C ATOM 1081 NE2 HIS A 69 6.514 12.141 -9.996 1.00 0.00 N ATOM 0 H HIS A 69 6.743 8.430 -7.678 1.00 0.00 H new ATOM 0 HA HIS A 69 4.202 8.573 -9.091 1.00 0.00 H new ATOM 0 HB2 HIS A 69 7.030 7.889 -9.985 1.00 0.00 H new ATOM 0 HB3 HIS A 69 5.660 8.127 -11.052 1.00 0.00 H new ATOM 0 HD2 HIS A 69 4.929 10.939 -9.022 1.00 0.00 H new ATOM 0 HE1 HIS A 69 8.324 12.398 -11.129 1.00 0.00 H new ATOM 0 HE2 HIS A 69 6.275 13.100 -9.744 1.00 0.00 H new ATOM 1089 N HIS A 70 4.116 6.121 -10.018 1.00 0.00 N ATOM 1090 CA HIS A 70 3.932 4.706 -10.302 1.00 0.00 C ATOM 1091 C HIS A 70 5.163 4.200 -11.044 1.00 0.00 C ATOM 1092 O HIS A 70 5.609 4.841 -11.998 1.00 0.00 O ATOM 1093 CB HIS A 70 2.663 4.475 -11.123 1.00 0.00 C ATOM 1094 CG HIS A 70 2.233 3.029 -11.189 1.00 0.00 C ATOM 1095 ND1 HIS A 70 2.767 2.023 -11.973 1.00 0.00 N ATOM 1096 CD2 HIS A 70 1.244 2.471 -10.427 1.00 0.00 C ATOM 1097 CE1 HIS A 70 2.104 0.892 -11.683 1.00 0.00 C ATOM 1098 NE2 HIS A 70 1.146 1.123 -10.773 1.00 0.00 N ATOM 0 H HIS A 70 3.585 6.746 -10.625 1.00 0.00 H new ATOM 0 HA HIS A 70 3.815 4.155 -9.369 1.00 0.00 H new ATOM 0 HB2 HIS A 70 1.853 5.066 -10.696 1.00 0.00 H new ATOM 0 HB3 HIS A 70 2.825 4.842 -12.136 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.645 2.983 -9.688 1.00 0.00 H new ATOM 0 HE1 HIS A 70 2.313 -0.072 -12.122 1.00 0.00 H new ATOM 0 HE2 HIS A 70 0.477 0.446 -10.406 1.00 0.00 H new ATOM 1106 N GLY A 71 5.699 3.054 -10.640 1.00 0.00 N ATOM 1107 CA GLY A 71 6.856 2.405 -11.230 1.00 0.00 C ATOM 1108 C GLY A 71 8.154 3.174 -10.998 1.00 0.00 C ATOM 1109 O GLY A 71 9.197 2.734 -11.480 1.00 0.00 O ATOM 0 H GLY A 71 5.317 2.529 -9.853 1.00 0.00 H new ATOM 0 HA2 GLY A 71 6.955 1.402 -10.814 1.00 0.00 H new ATOM 0 HA3 GLY A 71 6.694 2.291 -12.302 1.00 0.00 H new ATOM 1113 N ASN A 72 8.132 4.311 -10.293 1.00 0.00 N ATOM 1114 CA ASN A 72 9.303 5.141 -10.041 1.00 0.00 C ATOM 1115 C ASN A 72 9.246 5.621 -8.595 1.00 0.00 C ATOM 1116 O ASN A 72 8.837 6.754 -8.321 1.00 0.00 O ATOM 1117 CB ASN A 72 9.389 6.315 -11.030 1.00 0.00 C ATOM 1118 CG ASN A 72 10.783 6.928 -11.033 1.00 0.00 C ATOM 1119 OD1 ASN A 72 11.561 6.802 -10.091 1.00 0.00 O ATOM 1120 ND2 ASN A 72 11.109 7.669 -12.076 1.00 0.00 N ATOM 0 H ASN A 72 7.279 4.683 -9.875 1.00 0.00 H new ATOM 0 HA ASN A 72 10.209 4.554 -10.194 1.00 0.00 H new ATOM 0 HB2 ASN A 72 9.138 5.969 -12.033 1.00 0.00 H new ATOM 0 HB3 ASN A 72 8.655 7.075 -10.762 1.00 0.00 H new ATOM 0 HD21 ASN A 72 12.012 8.142 -12.103 1.00 0.00 H new ATOM 0 HD22 ASN A 72 10.457 7.769 -12.854 1.00 0.00 H new ATOM 1127 N ALA A 73 9.638 4.741 -7.673 1.00 0.00 N ATOM 1128 CA ALA A 73 9.545 5.001 -6.247 1.00 0.00 C ATOM 1129 C ALA A 73 10.913 4.945 -5.575 1.00 0.00 C ATOM 1130 O ALA A 73 11.008 4.493 -4.439 1.00 0.00 O ATOM 1131 CB ALA A 73 8.536 4.066 -5.576 1.00 0.00 C ATOM 0 H ALA A 73 10.029 3.827 -7.901 1.00 0.00 H new ATOM 0 HA ALA A 73 9.174 6.018 -6.121 1.00 0.00 H new ATOM 0 HB1 ALA A 73 8.490 4.286 -4.509 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.552 4.214 -6.020 1.00 0.00 H new ATOM 0 HB3 ALA A 73 8.847 3.031 -5.720 1.00 0.00 H new ATOM 1137 N MET A 74 11.958 5.478 -6.197 1.00 0.00 N ATOM 1138 CA MET A 74 13.260 5.531 -5.561 1.00 0.00 C ATOM 1139 C MET A 74 13.441 6.793 -4.721 1.00 0.00 C ATOM 1140 O MET A 74 13.991 6.722 -3.626 1.00 0.00 O ATOM 1141 CB MET A 74 14.323 5.457 -6.663 1.00 0.00 C ATOM 1142 CG MET A 74 14.309 4.116 -7.398 1.00 0.00 C ATOM 1143 SD MET A 74 14.823 2.719 -6.372 1.00 0.00 S ATOM 1144 CE MET A 74 13.919 1.366 -7.173 1.00 0.00 C ATOM 0 H MET A 74 11.926 5.876 -7.135 1.00 0.00 H new ATOM 0 HA MET A 74 13.357 4.691 -4.873 1.00 0.00 H new ATOM 0 HB2 MET A 74 14.157 6.262 -7.379 1.00 0.00 H new ATOM 0 HB3 MET A 74 15.308 5.618 -6.225 1.00 0.00 H new ATOM 0 HG2 MET A 74 13.303 3.928 -7.774 1.00 0.00 H new ATOM 0 HG3 MET A 74 14.967 4.180 -8.265 1.00 0.00 H new ATOM 0 HE1 MET A 74 14.186 0.421 -6.701 1.00 0.00 H new ATOM 0 HE2 MET A 74 12.847 1.534 -7.070 1.00 0.00 H new ATOM 0 HE3 MET A 74 14.180 1.330 -8.231 1.00 0.00 H new ATOM 1154 N GLU A 75 13.012 7.961 -5.198 1.00 0.00 N ATOM 1155 CA GLU A 75 13.352 9.208 -4.535 1.00 0.00 C ATOM 1156 C GLU A 75 12.575 9.404 -3.229 1.00 0.00 C ATOM 1157 O GLU A 75 13.195 9.768 -2.229 1.00 0.00 O ATOM 1158 CB GLU A 75 13.231 10.395 -5.505 1.00 0.00 C ATOM 1159 CG GLU A 75 14.413 10.374 -6.492 1.00 0.00 C ATOM 1160 CD GLU A 75 14.480 11.592 -7.418 1.00 0.00 C ATOM 1161 OE1 GLU A 75 14.768 12.705 -6.935 1.00 0.00 O ATOM 1162 OE2 GLU A 75 14.299 11.411 -8.649 1.00 0.00 O ATOM 0 H GLU A 75 12.435 8.064 -6.033 1.00 0.00 H new ATOM 0 HA GLU A 75 14.399 9.155 -4.235 1.00 0.00 H new ATOM 0 HB2 GLU A 75 12.288 10.339 -6.049 1.00 0.00 H new ATOM 0 HB3 GLU A 75 13.224 11.333 -4.950 1.00 0.00 H new ATOM 0 HG2 GLU A 75 15.343 10.310 -5.927 1.00 0.00 H new ATOM 0 HG3 GLU A 75 14.347 9.472 -7.101 1.00 0.00 H new ATOM 1169 N PHE A 76 11.268 9.125 -3.189 1.00 0.00 N ATOM 1170 CA PHE A 76 10.526 9.166 -1.929 1.00 0.00 C ATOM 1171 C PHE A 76 11.048 8.106 -0.960 1.00 0.00 C ATOM 1172 O PHE A 76 11.205 8.426 0.220 1.00 0.00 O ATOM 1173 CB PHE A 76 9.006 9.130 -2.179 1.00 0.00 C ATOM 1174 CG PHE A 76 8.095 8.554 -1.100 1.00 0.00 C ATOM 1175 CD1 PHE A 76 7.958 7.158 -0.931 1.00 0.00 C ATOM 1176 CD2 PHE A 76 7.298 9.418 -0.326 1.00 0.00 C ATOM 1177 CE1 PHE A 76 7.045 6.629 -0.008 1.00 0.00 C ATOM 1178 CE2 PHE A 76 6.422 8.890 0.644 1.00 0.00 C ATOM 1179 CZ PHE A 76 6.301 7.494 0.803 1.00 0.00 C ATOM 0 H PHE A 76 10.710 8.872 -4.004 1.00 0.00 H new ATOM 0 HA PHE A 76 10.702 10.119 -1.431 1.00 0.00 H new ATOM 0 HB2 PHE A 76 8.680 10.152 -2.375 1.00 0.00 H new ATOM 0 HB3 PHE A 76 8.836 8.560 -3.093 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.566 6.488 -1.522 1.00 0.00 H new ATOM 0 HD2 PHE A 76 7.358 10.486 -0.475 1.00 0.00 H new ATOM 0 HE1 PHE A 76 6.916 5.560 0.077 1.00 0.00 H new ATOM 0 HE2 PHE A 76 5.843 9.556 1.266 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.634 7.092 1.551 1.00 0.00 H new ATOM 1189 N ALA A 77 11.376 6.901 -1.439 1.00 0.00 N ATOM 1190 CA ALA A 77 11.962 5.844 -0.613 1.00 0.00 C ATOM 1191 C ALA A 77 13.294 6.279 0.013 1.00 0.00 C ATOM 1192 O ALA A 77 13.488 6.132 1.228 1.00 0.00 O ATOM 1193 CB ALA A 77 12.123 4.565 -1.439 1.00 0.00 C ATOM 0 H ALA A 77 11.241 6.632 -2.414 1.00 0.00 H new ATOM 0 HA ALA A 77 11.281 5.642 0.214 1.00 0.00 H new ATOM 0 HB1 ALA A 77 12.560 3.783 -0.818 1.00 0.00 H new ATOM 0 HB2 ALA A 77 11.147 4.239 -1.800 1.00 0.00 H new ATOM 0 HB3 ALA A 77 12.777 4.761 -2.289 1.00 0.00 H new ATOM 1199 N LYS A 78 14.184 6.886 -0.782 1.00 0.00 N ATOM 1200 CA LYS A 78 15.495 7.359 -0.334 1.00 0.00 C ATOM 1201 C LYS A 78 15.388 8.285 0.865 1.00 0.00 C ATOM 1202 O LYS A 78 16.242 8.229 1.755 1.00 0.00 O ATOM 1203 CB LYS A 78 16.206 8.090 -1.476 1.00 0.00 C ATOM 1204 CG LYS A 78 17.302 7.259 -2.154 1.00 0.00 C ATOM 1205 CD LYS A 78 18.164 8.171 -3.036 1.00 0.00 C ATOM 1206 CE LYS A 78 17.371 8.657 -4.252 1.00 0.00 C ATOM 1207 NZ LYS A 78 18.017 9.808 -4.909 1.00 0.00 N ATOM 0 H LYS A 78 14.008 7.064 -1.771 1.00 0.00 H new ATOM 0 HA LYS A 78 16.070 6.483 -0.033 1.00 0.00 H new ATOM 0 HB2 LYS A 78 15.468 8.381 -2.224 1.00 0.00 H new ATOM 0 HB3 LYS A 78 16.647 9.009 -1.089 1.00 0.00 H new ATOM 0 HG2 LYS A 78 17.922 6.772 -1.401 1.00 0.00 H new ATOM 0 HG3 LYS A 78 16.854 6.470 -2.757 1.00 0.00 H new ATOM 0 HD2 LYS A 78 18.509 9.027 -2.455 1.00 0.00 H new ATOM 0 HD3 LYS A 78 19.052 7.632 -3.367 1.00 0.00 H new ATOM 0 HE2 LYS A 78 17.269 7.841 -4.968 1.00 0.00 H new ATOM 0 HE3 LYS A 78 16.364 8.935 -3.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 17.495 10.052 -5.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 18.015 10.623 -4.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 18.997 9.563 -5.154 1.00 0.00 H new ATOM 1221 N LYS A 79 14.351 9.123 0.918 1.00 0.00 N ATOM 1222 CA LYS A 79 14.158 10.043 2.034 1.00 0.00 C ATOM 1223 C LYS A 79 14.000 9.313 3.357 1.00 0.00 C ATOM 1224 O LYS A 79 14.439 9.828 4.382 1.00 0.00 O ATOM 1225 CB LYS A 79 12.965 10.954 1.783 1.00 0.00 C ATOM 1226 CG LYS A 79 13.263 11.864 0.582 1.00 0.00 C ATOM 1227 CD LYS A 79 12.312 13.049 0.486 1.00 0.00 C ATOM 1228 CE LYS A 79 10.942 12.714 -0.113 1.00 0.00 C ATOM 1229 NZ LYS A 79 10.114 11.858 0.760 1.00 0.00 N ATOM 0 H LYS A 79 13.631 9.181 0.197 1.00 0.00 H new ATOM 0 HA LYS A 79 15.058 10.653 2.104 1.00 0.00 H new ATOM 0 HB2 LYS A 79 12.073 10.358 1.590 1.00 0.00 H new ATOM 0 HB3 LYS A 79 12.761 11.556 2.668 1.00 0.00 H new ATOM 0 HG2 LYS A 79 14.287 12.231 0.656 1.00 0.00 H new ATOM 0 HG3 LYS A 79 13.200 11.279 -0.335 1.00 0.00 H new ATOM 0 HD2 LYS A 79 12.167 13.465 1.483 1.00 0.00 H new ATOM 0 HD3 LYS A 79 12.779 13.826 -0.119 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.405 13.641 -0.315 1.00 0.00 H new ATOM 0 HE3 LYS A 79 11.085 12.213 -1.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.116 12.136 0.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.222 10.864 0.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.420 11.970 1.748 1.00 0.00 H new ATOM 1243 N HIS A 80 13.421 8.112 3.349 1.00 0.00 N ATOM 1244 CA HIS A 80 13.241 7.328 4.561 1.00 0.00 C ATOM 1245 C HIS A 80 14.488 6.505 4.883 1.00 0.00 C ATOM 1246 O HIS A 80 14.595 5.910 5.956 1.00 0.00 O ATOM 1247 CB HIS A 80 11.965 6.500 4.418 1.00 0.00 C ATOM 1248 CG HIS A 80 10.794 7.365 4.000 1.00 0.00 C ATOM 1249 ND1 HIS A 80 9.965 7.144 2.923 1.00 0.00 N ATOM 1250 CD2 HIS A 80 10.503 8.614 4.484 1.00 0.00 C ATOM 1251 CE1 HIS A 80 9.183 8.221 2.777 1.00 0.00 C ATOM 1252 NE2 HIS A 80 9.472 9.145 3.706 1.00 0.00 N ATOM 0 H HIS A 80 13.067 7.661 2.505 1.00 0.00 H new ATOM 0 HA HIS A 80 13.115 7.981 5.425 1.00 0.00 H new ATOM 0 HB2 HIS A 80 12.120 5.713 3.680 1.00 0.00 H new ATOM 0 HB3 HIS A 80 11.739 6.010 5.365 1.00 0.00 H new ATOM 0 HD2 HIS A 80 10.985 9.101 5.319 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.424 8.331 2.016 1.00 0.00 H new ATOM 0 HE2 HIS A 80 9.027 10.055 3.821 1.00 0.00 H new ATOM 1260 N GLY A 81 15.480 6.531 3.996 1.00 0.00 N ATOM 1261 CA GLY A 81 16.729 5.800 4.093 1.00 0.00 C ATOM 1262 C GLY A 81 16.674 4.450 3.395 1.00 0.00 C ATOM 1263 O GLY A 81 17.595 3.655 3.590 1.00 0.00 O ATOM 0 H GLY A 81 15.425 7.094 3.147 1.00 0.00 H new ATOM 0 HA2 GLY A 81 17.530 6.397 3.657 1.00 0.00 H new ATOM 0 HA3 GLY A 81 16.978 5.651 5.144 1.00 0.00 H new ATOM 1267 N ALA A 82 15.636 4.190 2.597 1.00 0.00 N ATOM 1268 CA ALA A 82 15.572 3.017 1.742 1.00 0.00 C ATOM 1269 C ALA A 82 16.162 3.401 0.394 1.00 0.00 C ATOM 1270 O ALA A 82 15.568 4.164 -0.357 1.00 0.00 O ATOM 1271 CB ALA A 82 14.139 2.500 1.647 1.00 0.00 C ATOM 0 H ALA A 82 14.816 4.793 2.530 1.00 0.00 H new ATOM 0 HA ALA A 82 16.152 2.191 2.154 1.00 0.00 H new ATOM 0 HB1 ALA A 82 14.111 1.621 1.003 1.00 0.00 H new ATOM 0 HB2 ALA A 82 13.782 2.232 2.641 1.00 0.00 H new ATOM 0 HB3 ALA A 82 13.499 3.277 1.229 1.00 0.00 H new ATOM 1277 N ASP A 83 17.404 2.984 0.147 1.00 0.00 N ATOM 1278 CA ASP A 83 18.151 3.284 -1.070 1.00 0.00 C ATOM 1279 C ASP A 83 17.657 2.400 -2.209 1.00 0.00 C ATOM 1280 O ASP A 83 16.691 1.654 -2.081 1.00 0.00 O ATOM 1281 CB ASP A 83 19.647 3.045 -0.857 1.00 0.00 C ATOM 1282 CG ASP A 83 19.945 1.704 -0.206 1.00 0.00 C ATOM 1283 OD1 ASP A 83 19.995 0.697 -0.949 1.00 0.00 O ATOM 1284 OD2 ASP A 83 20.064 1.709 1.039 1.00 0.00 O ATOM 0 H ASP A 83 17.931 2.413 0.808 1.00 0.00 H new ATOM 0 HA ASP A 83 17.993 4.333 -1.322 1.00 0.00 H new ATOM 0 HB2 ASP A 83 20.159 3.098 -1.818 1.00 0.00 H new ATOM 0 HB3 ASP A 83 20.052 3.843 -0.235 1.00 0.00 H new ATOM 1289 N GLU A 84 18.344 2.477 -3.345 1.00 0.00 N ATOM 1290 CA GLU A 84 18.038 1.772 -4.571 1.00 0.00 C ATOM 1291 C GLU A 84 18.000 0.263 -4.340 1.00 0.00 C ATOM 1292 O GLU A 84 17.127 -0.395 -4.895 1.00 0.00 O ATOM 1293 CB GLU A 84 19.075 2.224 -5.619 1.00 0.00 C ATOM 1294 CG GLU A 84 19.566 1.114 -6.548 1.00 0.00 C ATOM 1295 CD GLU A 84 20.476 1.636 -7.654 1.00 0.00 C ATOM 1296 OE1 GLU A 84 19.967 2.364 -8.541 1.00 0.00 O ATOM 1297 OE2 GLU A 84 21.691 1.363 -7.621 1.00 0.00 O ATOM 0 H GLU A 84 19.172 3.066 -3.432 1.00 0.00 H new ATOM 0 HA GLU A 84 17.041 2.013 -4.941 1.00 0.00 H new ATOM 0 HB2 GLU A 84 18.638 3.019 -6.223 1.00 0.00 H new ATOM 0 HB3 GLU A 84 19.933 2.652 -5.101 1.00 0.00 H new ATOM 0 HG2 GLU A 84 20.103 0.367 -5.963 1.00 0.00 H new ATOM 0 HG3 GLU A 84 18.707 0.613 -6.995 1.00 0.00 H new ATOM 1304 N THR A 85 18.930 -0.302 -3.562 1.00 0.00 N ATOM 1305 CA THR A 85 18.994 -1.743 -3.355 1.00 0.00 C ATOM 1306 C THR A 85 17.901 -2.196 -2.378 1.00 0.00 C ATOM 1307 O THR A 85 17.252 -3.212 -2.622 1.00 0.00 O ATOM 1308 CB THR A 85 20.408 -2.110 -2.894 1.00 0.00 C ATOM 1309 OG1 THR A 85 21.338 -1.668 -3.875 1.00 0.00 O ATOM 1310 CG2 THR A 85 20.612 -3.613 -2.720 1.00 0.00 C ATOM 0 H THR A 85 19.649 0.224 -3.066 1.00 0.00 H new ATOM 0 HA THR A 85 18.799 -2.275 -4.286 1.00 0.00 H new ATOM 0 HB THR A 85 20.558 -1.631 -1.926 1.00 0.00 H new ATOM 0 HG1 THR A 85 22.247 -1.896 -3.590 1.00 0.00 H new ATOM 0 HG21 THR A 85 21.634 -3.806 -2.392 1.00 0.00 H new ATOM 0 HG22 THR A 85 19.914 -3.991 -1.973 1.00 0.00 H new ATOM 0 HG23 THR A 85 20.435 -4.117 -3.670 1.00 0.00 H new ATOM 1318 N MET A 86 17.644 -1.442 -1.306 1.00 0.00 N ATOM 1319 CA MET A 86 16.508 -1.652 -0.424 1.00 0.00 C ATOM 1320 C MET A 86 15.194 -1.594 -1.196 1.00 0.00 C ATOM 1321 O MET A 86 14.340 -2.449 -0.992 1.00 0.00 O ATOM 1322 CB MET A 86 16.567 -0.553 0.641 1.00 0.00 C ATOM 1323 CG MET A 86 17.756 -0.726 1.581 1.00 0.00 C ATOM 1324 SD MET A 86 17.590 0.194 3.138 1.00 0.00 S ATOM 1325 CE MET A 86 19.222 -0.127 3.835 1.00 0.00 C ATOM 0 H MET A 86 18.233 -0.657 -1.028 1.00 0.00 H new ATOM 0 HA MET A 86 16.554 -2.640 0.034 1.00 0.00 H new ATOM 0 HB2 MET A 86 16.630 0.420 0.154 1.00 0.00 H new ATOM 0 HB3 MET A 86 15.644 -0.561 1.220 1.00 0.00 H new ATOM 0 HG2 MET A 86 17.880 -1.785 1.806 1.00 0.00 H new ATOM 0 HG3 MET A 86 18.663 -0.400 1.071 1.00 0.00 H new ATOM 0 HE1 MET A 86 19.307 0.365 4.804 1.00 0.00 H new ATOM 0 HE2 MET A 86 19.359 -1.201 3.960 1.00 0.00 H new ATOM 0 HE3 MET A 86 19.987 0.261 3.163 1.00 0.00 H new ATOM 1335 N ALA A 87 15.036 -0.636 -2.106 1.00 0.00 N ATOM 1336 CA ALA A 87 13.903 -0.644 -3.012 1.00 0.00 C ATOM 1337 C ALA A 87 13.935 -1.917 -3.856 1.00 0.00 C ATOM 1338 O ALA A 87 12.967 -2.661 -3.840 1.00 0.00 O ATOM 1339 CB ALA A 87 13.896 0.626 -3.855 1.00 0.00 C ATOM 0 H ALA A 87 15.676 0.148 -2.231 1.00 0.00 H new ATOM 0 HA ALA A 87 12.970 -0.650 -2.449 1.00 0.00 H new ATOM 0 HB1 ALA A 87 13.041 0.609 -4.531 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.825 1.496 -3.202 1.00 0.00 H new ATOM 0 HB3 ALA A 87 14.817 0.683 -4.435 1.00 0.00 H new ATOM 1345 N GLN A 88 15.034 -2.228 -4.549 1.00 0.00 N ATOM 1346 CA GLN A 88 15.118 -3.337 -5.494 1.00 0.00 C ATOM 1347 C GLN A 88 14.744 -4.683 -4.867 1.00 0.00 C ATOM 1348 O GLN A 88 14.104 -5.503 -5.530 1.00 0.00 O ATOM 1349 CB GLN A 88 16.536 -3.386 -6.083 1.00 0.00 C ATOM 1350 CG GLN A 88 16.593 -3.979 -7.492 1.00 0.00 C ATOM 1351 CD GLN A 88 16.202 -2.913 -8.520 1.00 0.00 C ATOM 1352 OE1 GLN A 88 17.025 -2.097 -8.930 1.00 0.00 O ATOM 1353 NE2 GLN A 88 14.945 -2.851 -8.930 1.00 0.00 N ATOM 0 H GLN A 88 15.905 -1.704 -4.465 1.00 0.00 H new ATOM 0 HA GLN A 88 14.389 -3.160 -6.285 1.00 0.00 H new ATOM 0 HB2 GLN A 88 16.946 -2.376 -6.106 1.00 0.00 H new ATOM 0 HB3 GLN A 88 17.174 -3.975 -5.424 1.00 0.00 H new ATOM 0 HG2 GLN A 88 17.597 -4.348 -7.701 1.00 0.00 H new ATOM 0 HG3 GLN A 88 15.919 -4.832 -7.565 1.00 0.00 H new ATOM 0 HE21 GLN A 88 14.263 -3.529 -8.589 1.00 0.00 H new ATOM 0 HE22 GLN A 88 14.658 -2.125 -9.587 1.00 0.00 H new ATOM 1362 N GLN A 89 15.124 -4.881 -3.602 1.00 0.00 N ATOM 1363 CA GLN A 89 14.699 -5.974 -2.739 1.00 0.00 C ATOM 1364 C GLN A 89 13.170 -6.072 -2.738 1.00 0.00 C ATOM 1365 O GLN A 89 12.614 -7.124 -3.059 1.00 0.00 O ATOM 1366 CB GLN A 89 15.264 -5.734 -1.318 1.00 0.00 C ATOM 1367 CG GLN A 89 16.715 -6.184 -1.113 1.00 0.00 C ATOM 1368 CD GLN A 89 16.902 -7.699 -1.014 1.00 0.00 C ATOM 1369 OE1 GLN A 89 16.142 -8.501 -1.556 1.00 0.00 O ATOM 1370 NE2 GLN A 89 17.945 -8.143 -0.344 1.00 0.00 N ATOM 0 H GLN A 89 15.770 -4.247 -3.132 1.00 0.00 H new ATOM 0 HA GLN A 89 15.084 -6.925 -3.107 1.00 0.00 H new ATOM 0 HB2 GLN A 89 15.194 -4.670 -1.090 1.00 0.00 H new ATOM 0 HB3 GLN A 89 14.633 -6.256 -0.599 1.00 0.00 H new ATOM 0 HG2 GLN A 89 17.318 -5.810 -1.940 1.00 0.00 H new ATOM 0 HG3 GLN A 89 17.100 -5.723 -0.203 1.00 0.00 H new ATOM 0 HE21 GLN A 89 18.579 -7.484 0.108 1.00 0.00 H new ATOM 0 HE22 GLN A 89 18.119 -9.146 -0.277 1.00 0.00 H new ATOM 1379 N LEU A 90 12.486 -4.986 -2.375 1.00 0.00 N ATOM 1380 CA LEU A 90 11.031 -4.926 -2.331 1.00 0.00 C ATOM 1381 C LEU A 90 10.420 -5.045 -3.734 1.00 0.00 C ATOM 1382 O LEU A 90 9.408 -5.724 -3.862 1.00 0.00 O ATOM 1383 CB LEU A 90 10.555 -3.638 -1.638 1.00 0.00 C ATOM 1384 CG LEU A 90 11.074 -3.402 -0.203 1.00 0.00 C ATOM 1385 CD1 LEU A 90 10.678 -1.997 0.255 1.00 0.00 C ATOM 1386 CD2 LEU A 90 10.578 -4.418 0.838 1.00 0.00 C ATOM 0 H LEU A 90 12.937 -4.113 -2.100 1.00 0.00 H new ATOM 0 HA LEU A 90 10.686 -5.778 -1.746 1.00 0.00 H new ATOM 0 HB2 LEU A 90 10.852 -2.789 -2.253 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.465 -3.647 -1.611 1.00 0.00 H new ATOM 0 HG LEU A 90 12.156 -3.525 -0.259 1.00 0.00 H new ATOM 0 HD11 LEU A 90 11.043 -1.828 1.268 1.00 0.00 H new ATOM 0 HD12 LEU A 90 11.116 -1.258 -0.417 1.00 0.00 H new ATOM 0 HD13 LEU A 90 9.592 -1.902 0.240 1.00 0.00 H new ATOM 0 HD21 LEU A 90 10.995 -4.171 1.815 1.00 0.00 H new ATOM 0 HD22 LEU A 90 9.490 -4.385 0.889 1.00 0.00 H new ATOM 0 HD23 LEU A 90 10.897 -5.420 0.550 1.00 0.00 H new ATOM 1398 N ILE A 91 11.027 -4.456 -4.770 1.00 0.00 N ATOM 1399 CA ILE A 91 10.531 -4.518 -6.154 1.00 0.00 C ATOM 1400 C ILE A 91 10.447 -6.001 -6.570 1.00 0.00 C ATOM 1401 O ILE A 91 9.444 -6.446 -7.131 1.00 0.00 O ATOM 1402 CB ILE A 91 11.397 -3.706 -7.164 1.00 0.00 C ATOM 1403 CG1 ILE A 91 11.764 -2.243 -6.835 1.00 0.00 C ATOM 1404 CG2 ILE A 91 10.783 -3.686 -8.580 1.00 0.00 C ATOM 1405 CD1 ILE A 91 10.821 -1.461 -5.950 1.00 0.00 C ATOM 0 H ILE A 91 11.887 -3.916 -4.672 1.00 0.00 H new ATOM 0 HA ILE A 91 9.547 -4.050 -6.181 1.00 0.00 H new ATOM 0 HB ILE A 91 12.324 -4.275 -7.091 1.00 0.00 H new ATOM 0 HG12 ILE A 91 12.746 -2.243 -6.361 1.00 0.00 H new ATOM 0 HG13 ILE A 91 11.864 -1.703 -7.777 1.00 0.00 H new ATOM 0 HG21 ILE A 91 11.423 -3.108 -9.246 1.00 0.00 H new ATOM 0 HG22 ILE A 91 10.697 -4.706 -8.954 1.00 0.00 H new ATOM 0 HG23 ILE A 91 9.794 -3.230 -8.541 1.00 0.00 H new ATOM 0 HD11 ILE A 91 11.209 -0.452 -5.807 1.00 0.00 H new ATOM 0 HD12 ILE A 91 9.839 -1.409 -6.421 1.00 0.00 H new ATOM 0 HD13 ILE A 91 10.734 -1.957 -4.983 1.00 0.00 H new ATOM 1417 N ASP A 92 11.505 -6.787 -6.316 1.00 0.00 N ATOM 1418 CA ASP A 92 11.521 -8.205 -6.700 1.00 0.00 C ATOM 1419 C ASP A 92 10.418 -8.954 -5.965 1.00 0.00 C ATOM 1420 O ASP A 92 9.697 -9.747 -6.564 1.00 0.00 O ATOM 1421 CB ASP A 92 12.867 -8.883 -6.409 1.00 0.00 C ATOM 1422 CG ASP A 92 13.258 -9.840 -7.545 1.00 0.00 C ATOM 1423 OD1 ASP A 92 12.541 -10.838 -7.792 1.00 0.00 O ATOM 1424 OD2 ASP A 92 14.283 -9.587 -8.226 1.00 0.00 O ATOM 0 H ASP A 92 12.354 -6.467 -5.850 1.00 0.00 H new ATOM 0 HA ASP A 92 11.358 -8.241 -7.777 1.00 0.00 H new ATOM 0 HB2 ASP A 92 13.641 -8.125 -6.285 1.00 0.00 H new ATOM 0 HB3 ASP A 92 12.806 -9.433 -5.470 1.00 0.00 H new ATOM 1429 N ILE A 93 10.271 -8.683 -4.668 1.00 0.00 N ATOM 1430 CA ILE A 93 9.187 -9.194 -3.842 1.00 0.00 C ATOM 1431 C ILE A 93 7.810 -8.855 -4.416 1.00 0.00 C ATOM 1432 O ILE A 93 6.976 -9.761 -4.457 1.00 0.00 O ATOM 1433 CB ILE A 93 9.349 -8.701 -2.387 1.00 0.00 C ATOM 1434 CG1 ILE A 93 10.593 -9.381 -1.783 1.00 0.00 C ATOM 1435 CG2 ILE A 93 8.077 -8.985 -1.583 1.00 0.00 C ATOM 1436 CD1 ILE A 93 10.988 -8.865 -0.397 1.00 0.00 C ATOM 0 H ILE A 93 10.920 -8.087 -4.154 1.00 0.00 H new ATOM 0 HA ILE A 93 9.249 -10.282 -3.841 1.00 0.00 H new ATOM 0 HB ILE A 93 9.495 -7.621 -2.359 1.00 0.00 H new ATOM 0 HG12 ILE A 93 10.410 -10.454 -1.719 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.434 -9.241 -2.462 1.00 0.00 H new ATOM 0 HG21 ILE A 93 8.207 -8.632 -0.560 1.00 0.00 H new ATOM 0 HG22 ILE A 93 7.234 -8.468 -2.041 1.00 0.00 H new ATOM 0 HG23 ILE A 93 7.884 -10.058 -1.575 1.00 0.00 H new ATOM 0 HD11 ILE A 93 11.873 -9.398 -0.049 1.00 0.00 H new ATOM 0 HD12 ILE A 93 11.206 -7.799 -0.454 1.00 0.00 H new ATOM 0 HD13 ILE A 93 10.167 -9.030 0.300 1.00 0.00 H new ATOM 1448 N VAL A 94 7.542 -7.606 -4.812 1.00 0.00 N ATOM 1449 CA VAL A 94 6.237 -7.184 -5.320 1.00 0.00 C ATOM 1450 C VAL A 94 5.815 -8.147 -6.418 1.00 0.00 C ATOM 1451 O VAL A 94 4.711 -8.699 -6.378 1.00 0.00 O ATOM 1452 CB VAL A 94 6.285 -5.707 -5.795 1.00 0.00 C ATOM 1453 CG1 VAL A 94 5.200 -5.290 -6.814 1.00 0.00 C ATOM 1454 CG2 VAL A 94 6.174 -4.790 -4.578 1.00 0.00 C ATOM 0 H VAL A 94 8.232 -6.855 -4.788 1.00 0.00 H new ATOM 0 HA VAL A 94 5.487 -7.218 -4.529 1.00 0.00 H new ATOM 0 HB VAL A 94 7.236 -5.611 -6.319 1.00 0.00 H new ATOM 0 HG11 VAL A 94 5.330 -4.240 -7.075 1.00 0.00 H new ATOM 0 HG12 VAL A 94 5.291 -5.901 -7.712 1.00 0.00 H new ATOM 0 HG13 VAL A 94 4.213 -5.435 -6.375 1.00 0.00 H new ATOM 0 HG21 VAL A 94 6.207 -3.750 -4.902 1.00 0.00 H new ATOM 0 HG22 VAL A 94 5.232 -4.980 -4.064 1.00 0.00 H new ATOM 0 HG23 VAL A 94 7.004 -4.985 -3.899 1.00 0.00 H new ATOM 1464 N HIS A 95 6.731 -8.389 -7.347 1.00 0.00 N ATOM 1465 CA HIS A 95 6.550 -9.242 -8.492 1.00 0.00 C ATOM 1466 C HIS A 95 6.476 -10.701 -8.058 1.00 0.00 C ATOM 1467 O HIS A 95 5.597 -11.450 -8.479 1.00 0.00 O ATOM 1468 CB HIS A 95 7.746 -8.975 -9.399 1.00 0.00 C ATOM 1469 CG HIS A 95 7.813 -7.556 -9.920 1.00 0.00 C ATOM 1470 ND1 HIS A 95 8.960 -6.941 -10.359 1.00 0.00 N ATOM 1471 CD2 HIS A 95 6.807 -6.623 -9.963 1.00 0.00 C ATOM 1472 CE1 HIS A 95 8.652 -5.680 -10.693 1.00 0.00 C ATOM 1473 NE2 HIS A 95 7.335 -5.464 -10.542 1.00 0.00 N ATOM 0 H HIS A 95 7.661 -7.971 -7.312 1.00 0.00 H new ATOM 0 HA HIS A 95 5.617 -9.037 -9.017 1.00 0.00 H new ATOM 0 HB2 HIS A 95 8.662 -9.194 -8.851 1.00 0.00 H new ATOM 0 HB3 HIS A 95 7.709 -9.661 -10.245 1.00 0.00 H new ATOM 0 HD2 HIS A 95 5.794 -6.759 -9.614 1.00 0.00 H new ATOM 0 HE1 HIS A 95 9.362 -4.942 -11.035 1.00 0.00 H new ATOM 0 HE2 HIS A 95 6.821 -4.621 -10.799 1.00 0.00 H new ATOM 1481 N GLY A 96 7.375 -11.109 -7.170 1.00 0.00 N ATOM 1482 CA GLY A 96 7.403 -12.435 -6.574 1.00 0.00 C ATOM 1483 C GLY A 96 6.053 -12.835 -5.984 1.00 0.00 C ATOM 1484 O GLY A 96 5.693 -14.012 -5.979 1.00 0.00 O ATOM 0 H GLY A 96 8.127 -10.506 -6.836 1.00 0.00 H new ATOM 0 HA2 GLY A 96 7.697 -13.164 -7.329 1.00 0.00 H new ATOM 0 HA3 GLY A 96 8.161 -12.463 -5.792 1.00 0.00 H new ATOM 1488 N CYS A 97 5.293 -11.847 -5.526 1.00 0.00 N ATOM 1489 CA CYS A 97 4.009 -12.017 -4.890 1.00 0.00 C ATOM 1490 C CYS A 97 2.872 -11.949 -5.904 1.00 0.00 C ATOM 1491 O CYS A 97 1.918 -12.717 -5.765 1.00 0.00 O ATOM 1492 CB CYS A 97 3.879 -10.979 -3.780 1.00 0.00 C ATOM 1493 SG CYS A 97 4.948 -11.336 -2.358 1.00 0.00 S ATOM 0 H CYS A 97 5.574 -10.869 -5.595 1.00 0.00 H new ATOM 0 HA CYS A 97 3.939 -13.010 -4.445 1.00 0.00 H new ATOM 0 HB2 CYS A 97 4.127 -9.995 -4.178 1.00 0.00 H new ATOM 0 HB3 CYS A 97 2.842 -10.936 -3.448 1.00 0.00 H new ATOM 1498 N GLU A 98 2.977 -11.124 -6.953 1.00 0.00 N ATOM 1499 CA GLU A 98 2.064 -11.169 -8.097 1.00 0.00 C ATOM 1500 C GLU A 98 2.023 -12.587 -8.686 1.00 0.00 C ATOM 1501 O GLU A 98 0.978 -13.048 -9.160 1.00 0.00 O ATOM 1502 CB GLU A 98 2.518 -10.223 -9.211 1.00 0.00 C ATOM 1503 CG GLU A 98 2.345 -8.730 -8.931 1.00 0.00 C ATOM 1504 CD GLU A 98 2.812 -7.909 -10.142 1.00 0.00 C ATOM 1505 OE1 GLU A 98 3.960 -8.100 -10.611 1.00 0.00 O ATOM 1506 OE2 GLU A 98 1.987 -7.159 -10.715 1.00 0.00 O ATOM 0 H GLU A 98 3.698 -10.407 -7.031 1.00 0.00 H new ATOM 0 HA GLU A 98 1.082 -10.867 -7.734 1.00 0.00 H new ATOM 0 HB2 GLU A 98 3.571 -10.415 -9.417 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.966 -10.469 -10.118 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.299 -8.511 -8.715 1.00 0.00 H new ATOM 0 HG3 GLU A 98 2.919 -8.449 -8.048 1.00 0.00 H new ATOM 1513 N LYS A 99 3.180 -13.260 -8.671 1.00 0.00 N ATOM 1514 CA LYS A 99 3.411 -14.576 -9.249 1.00 0.00 C ATOM 1515 C LYS A 99 3.186 -15.728 -8.279 1.00 0.00 C ATOM 1516 O LYS A 99 2.875 -16.820 -8.768 1.00 0.00 O ATOM 1517 CB LYS A 99 4.861 -14.639 -9.736 1.00 0.00 C ATOM 1518 CG LYS A 99 5.065 -13.998 -11.124 1.00 0.00 C ATOM 1519 CD LYS A 99 6.273 -13.066 -11.219 1.00 0.00 C ATOM 1520 CE LYS A 99 7.533 -13.732 -10.659 1.00 0.00 C ATOM 1521 NZ LYS A 99 8.707 -12.843 -10.704 1.00 0.00 N ATOM 0 H LYS A 99 4.017 -12.877 -8.232 1.00 0.00 H new ATOM 0 HA LYS A 99 2.689 -14.696 -10.056 1.00 0.00 H new ATOM 0 HB2 LYS A 99 5.502 -14.135 -9.013 1.00 0.00 H new ATOM 0 HB3 LYS A 99 5.180 -15.681 -9.774 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.174 -14.791 -11.864 1.00 0.00 H new ATOM 0 HG3 LYS A 99 4.168 -13.438 -11.387 1.00 0.00 H new ATOM 0 HD2 LYS A 99 6.438 -12.786 -12.259 1.00 0.00 H new ATOM 0 HD3 LYS A 99 6.070 -12.147 -10.670 1.00 0.00 H new ATOM 0 HE2 LYS A 99 7.352 -14.037 -9.629 1.00 0.00 H new ATOM 0 HE3 LYS A 99 7.745 -14.638 -11.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 9.534 -13.339 -10.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 8.899 -12.571 -11.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 8.518 -11.990 -10.140 1.00 0.00 H new ATOM 1535 N SER A 100 3.372 -15.568 -6.965 1.00 0.00 N ATOM 1536 CA SER A 100 2.989 -16.626 -6.035 1.00 0.00 C ATOM 1537 C SER A 100 1.468 -16.771 -6.041 1.00 0.00 C ATOM 1538 O SER A 100 0.935 -17.878 -5.943 1.00 0.00 O ATOM 1539 CB SER A 100 3.531 -16.346 -4.627 1.00 0.00 C ATOM 1540 OG SER A 100 2.938 -15.220 -4.001 1.00 0.00 O ATOM 0 H SER A 100 3.775 -14.737 -6.533 1.00 0.00 H new ATOM 0 HA SER A 100 3.430 -17.570 -6.356 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.368 -17.225 -4.003 1.00 0.00 H new ATOM 0 HB3 SER A 100 4.608 -16.192 -4.686 1.00 0.00 H new ATOM 0 HG SER A 100 3.571 -14.830 -3.362 1.00 0.00 H new ATOM 1546 N THR A 101 0.776 -15.637 -6.136 1.00 0.00 N ATOM 1547 CA THR A 101 -0.666 -15.558 -6.014 1.00 0.00 C ATOM 1548 C THR A 101 -1.301 -16.138 -7.286 1.00 0.00 C ATOM 1549 O THR A 101 -0.847 -15.831 -8.397 1.00 0.00 O ATOM 1550 CB THR A 101 -1.050 -14.093 -5.754 1.00 0.00 C ATOM 1551 OG1 THR A 101 -0.303 -13.609 -4.649 1.00 0.00 O ATOM 1552 CG2 THR A 101 -2.530 -13.900 -5.424 1.00 0.00 C ATOM 0 H THR A 101 1.218 -14.733 -6.303 1.00 0.00 H new ATOM 0 HA THR A 101 -1.040 -16.146 -5.176 1.00 0.00 H new ATOM 0 HB THR A 101 -0.836 -13.551 -6.675 1.00 0.00 H new ATOM 0 HG1 THR A 101 0.630 -13.477 -4.918 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.730 -12.842 -5.252 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.138 -14.253 -6.257 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.780 -14.467 -4.527 1.00 0.00 H new ATOM 1560 N PRO A 102 -2.351 -16.969 -7.174 1.00 0.00 N ATOM 1561 CA PRO A 102 -3.070 -17.440 -8.343 1.00 0.00 C ATOM 1562 C PRO A 102 -3.786 -16.245 -8.967 1.00 0.00 C ATOM 1563 O PRO A 102 -4.396 -15.440 -8.260 1.00 0.00 O ATOM 1564 CB PRO A 102 -4.031 -18.512 -7.837 1.00 0.00 C ATOM 1565 CG PRO A 102 -4.282 -18.114 -6.382 1.00 0.00 C ATOM 1566 CD PRO A 102 -2.981 -17.444 -5.950 1.00 0.00 C ATOM 0 HA PRO A 102 -2.431 -17.869 -9.115 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -4.956 -18.526 -8.414 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -3.595 -19.508 -7.910 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -5.129 -17.433 -6.295 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -4.507 -18.983 -5.764 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -3.175 -16.619 -5.265 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -2.335 -18.148 -5.426 1.00 0.00 H new ATOM 1574 N ALA A 103 -3.695 -16.120 -10.289 1.00 0.00 N ATOM 1575 CA ALA A 103 -4.294 -15.056 -11.072 1.00 0.00 C ATOM 1576 C ALA A 103 -5.809 -15.199 -10.968 1.00 0.00 C ATOM 1577 O ALA A 103 -6.408 -16.026 -11.661 1.00 0.00 O ATOM 1578 CB ALA A 103 -3.790 -15.124 -12.519 1.00 0.00 C ATOM 0 H ALA A 103 -3.179 -16.788 -10.862 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.010 -14.074 -10.694 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -4.244 -14.322 -13.101 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.706 -15.013 -12.532 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -4.061 -16.086 -12.954 1.00 0.00 H new ATOM 1584 N ASN A 104 -6.397 -14.477 -10.018 1.00 0.00 N ATOM 1585 CA ASN A 104 -7.836 -14.392 -9.824 1.00 0.00 C ATOM 1586 C ASN A 104 -8.413 -13.516 -10.929 1.00 0.00 C ATOM 1587 O ASN A 104 -7.782 -12.531 -11.321 1.00 0.00 O ATOM 1588 CB ASN A 104 -8.150 -13.797 -8.442 1.00 0.00 C ATOM 1589 CG ASN A 104 -9.559 -14.130 -7.968 1.00 0.00 C ATOM 1590 OD1 ASN A 104 -10.548 -14.005 -8.675 1.00 0.00 O ATOM 1591 ND2 ASN A 104 -9.702 -14.614 -6.757 1.00 0.00 N ATOM 0 H ASN A 104 -5.869 -13.921 -9.345 1.00 0.00 H new ATOM 0 HA ASN A 104 -8.283 -15.385 -9.868 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -7.428 -14.172 -7.716 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -8.030 -12.714 -8.481 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -10.627 -14.879 -6.420 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -8.888 -14.725 -6.153 1.00 0.00 H new ATOM 1598 N ASP A 105 -9.628 -13.834 -11.363 1.00 0.00 N ATOM 1599 CA ASP A 105 -10.556 -12.943 -12.042 1.00 0.00 C ATOM 1600 C ASP A 105 -10.588 -11.575 -11.360 1.00 0.00 C ATOM 1601 O ASP A 105 -10.445 -10.547 -12.024 1.00 0.00 O ATOM 1602 CB ASP A 105 -11.952 -13.596 -12.052 1.00 0.00 C ATOM 1603 CG ASP A 105 -13.119 -12.608 -11.929 1.00 0.00 C ATOM 1604 OD1 ASP A 105 -13.294 -11.747 -12.820 1.00 0.00 O ATOM 1605 OD2 ASP A 105 -13.875 -12.720 -10.936 1.00 0.00 O ATOM 0 H ASP A 105 -10.010 -14.772 -11.243 1.00 0.00 H new ATOM 0 HA ASP A 105 -10.229 -12.783 -13.069 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -12.068 -14.162 -12.977 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -12.010 -14.311 -11.231 1.00 0.00 H new ATOM 1610 N ASP A 106 -10.709 -11.552 -10.034 1.00 0.00 N ATOM 1611 CA ASP A 106 -10.935 -10.322 -9.311 1.00 0.00 C ATOM 1612 C ASP A 106 -9.600 -9.667 -8.987 1.00 0.00 C ATOM 1613 O ASP A 106 -8.816 -10.239 -8.219 1.00 0.00 O ATOM 1614 CB ASP A 106 -11.650 -10.640 -8.004 1.00 0.00 C ATOM 1615 CG ASP A 106 -11.958 -9.367 -7.235 1.00 0.00 C ATOM 1616 OD1 ASP A 106 -11.803 -8.247 -7.768 1.00 0.00 O ATOM 1617 OD2 ASP A 106 -12.356 -9.492 -6.060 1.00 0.00 O ATOM 0 H ASP A 106 -10.652 -12.382 -9.444 1.00 0.00 H new ATOM 0 HA ASP A 106 -11.538 -9.649 -9.920 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -12.575 -11.178 -8.212 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -11.029 -11.297 -7.395 1.00 0.00 H new ATOM 1622 N LYS A 107 -9.329 -8.471 -9.520 1.00 0.00 N ATOM 1623 CA LYS A 107 -8.125 -7.745 -9.155 1.00 0.00 C ATOM 1624 C LYS A 107 -8.060 -7.458 -7.665 1.00 0.00 C ATOM 1625 O LYS A 107 -6.962 -7.443 -7.123 1.00 0.00 O ATOM 1626 CB LYS A 107 -7.989 -6.441 -9.962 1.00 0.00 C ATOM 1627 CG LYS A 107 -6.531 -6.298 -10.394 1.00 0.00 C ATOM 1628 CD LYS A 107 -6.293 -7.195 -11.614 1.00 0.00 C ATOM 1629 CE LYS A 107 -6.154 -6.338 -12.868 1.00 0.00 C ATOM 1630 NZ LYS A 107 -4.763 -5.886 -13.073 1.00 0.00 N ATOM 0 H LYS A 107 -9.925 -7.996 -10.198 1.00 0.00 H new ATOM 0 HA LYS A 107 -7.283 -8.392 -9.403 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -8.643 -6.463 -10.833 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -8.292 -5.586 -9.357 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -6.309 -5.259 -10.639 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -5.865 -6.583 -9.579 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -5.392 -7.791 -11.468 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -7.122 -7.894 -11.730 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -6.482 -6.909 -13.737 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -6.810 -5.471 -12.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -4.710 -5.307 -13.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -4.458 -5.320 -12.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -4.140 -6.713 -13.173 1.00 0.00 H new ATOM 1644 N CYS A 108 -9.193 -7.264 -6.995 1.00 0.00 N ATOM 1645 CA CYS A 108 -9.245 -7.021 -5.558 1.00 0.00 C ATOM 1646 C CYS A 108 -8.715 -8.228 -4.795 1.00 0.00 C ATOM 1647 O CYS A 108 -7.690 -8.137 -4.122 1.00 0.00 O ATOM 1648 CB CYS A 108 -10.676 -6.646 -5.173 1.00 0.00 C ATOM 1649 SG CYS A 108 -11.219 -6.809 -3.478 1.00 0.00 S ATOM 0 H CYS A 108 -10.110 -7.271 -7.441 1.00 0.00 H new ATOM 0 HA CYS A 108 -8.599 -6.186 -5.286 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -10.828 -5.606 -5.463 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -11.345 -7.249 -5.787 1.00 0.00 H new ATOM 1654 N ILE A 109 -9.406 -9.361 -4.885 1.00 0.00 N ATOM 1655 CA ILE A 109 -8.994 -10.600 -4.228 1.00 0.00 C ATOM 1656 C ILE A 109 -7.576 -11.020 -4.636 1.00 0.00 C ATOM 1657 O ILE A 109 -6.840 -11.509 -3.774 1.00 0.00 O ATOM 1658 CB ILE A 109 -10.065 -11.697 -4.455 1.00 0.00 C ATOM 1659 CG1 ILE A 109 -11.306 -11.302 -3.623 1.00 0.00 C ATOM 1660 CG2 ILE A 109 -9.552 -13.066 -3.972 1.00 0.00 C ATOM 1661 CD1 ILE A 109 -12.447 -12.307 -3.705 1.00 0.00 C ATOM 0 H ILE A 109 -10.271 -9.447 -5.418 1.00 0.00 H new ATOM 0 HA ILE A 109 -8.933 -10.433 -3.153 1.00 0.00 H new ATOM 0 HB ILE A 109 -10.300 -11.776 -5.516 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -11.011 -11.186 -2.580 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -11.665 -10.330 -3.962 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -10.319 -13.822 -4.140 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -8.652 -13.333 -4.525 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -9.322 -13.013 -2.908 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -13.282 -11.961 -3.095 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -12.771 -12.406 -4.741 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -12.106 -13.275 -3.337 1.00 0.00 H new ATOM 1673 N TRP A 110 -7.182 -10.827 -5.897 1.00 0.00 N ATOM 1674 CA TRP A 110 -5.802 -11.034 -6.320 1.00 0.00 C ATOM 1675 C TRP A 110 -4.870 -10.151 -5.487 1.00 0.00 C ATOM 1676 O TRP A 110 -4.017 -10.673 -4.773 1.00 0.00 O ATOM 1677 CB TRP A 110 -5.653 -10.790 -7.828 1.00 0.00 C ATOM 1678 CG TRP A 110 -4.264 -10.939 -8.362 1.00 0.00 C ATOM 1679 CD1 TRP A 110 -3.608 -12.112 -8.487 1.00 0.00 C ATOM 1680 CD2 TRP A 110 -3.344 -9.911 -8.837 1.00 0.00 C ATOM 1681 NE1 TRP A 110 -2.345 -11.888 -9.004 1.00 0.00 N ATOM 1682 CE2 TRP A 110 -2.137 -10.547 -9.264 1.00 0.00 C ATOM 1683 CE3 TRP A 110 -3.402 -8.504 -8.935 1.00 0.00 C ATOM 1684 CZ2 TRP A 110 -1.056 -9.823 -9.796 1.00 0.00 C ATOM 1685 CZ3 TRP A 110 -2.339 -7.771 -9.499 1.00 0.00 C ATOM 1686 CH2 TRP A 110 -1.178 -8.430 -9.936 1.00 0.00 C ATOM 0 H TRP A 110 -7.807 -10.526 -6.645 1.00 0.00 H new ATOM 0 HA TRP A 110 -5.518 -12.072 -6.145 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -6.306 -11.483 -8.358 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -6.006 -9.784 -8.054 1.00 0.00 H new ATOM 0 HD1 TRP A 110 -4.009 -13.079 -8.223 1.00 0.00 H new ATOM 0 HE1 TRP A 110 -1.655 -12.620 -9.172 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -4.275 -7.981 -8.572 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 -0.148 -10.328 -10.092 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -2.417 -6.698 -9.596 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -0.374 -7.863 -10.382 1.00 0.00 H new ATOM 1697 N THR A 111 -5.065 -8.835 -5.521 1.00 0.00 N ATOM 1698 CA THR A 111 -4.220 -7.856 -4.852 1.00 0.00 C ATOM 1699 C THR A 111 -4.146 -8.081 -3.341 1.00 0.00 C ATOM 1700 O THR A 111 -3.108 -7.807 -2.738 1.00 0.00 O ATOM 1701 CB THR A 111 -4.720 -6.445 -5.208 1.00 0.00 C ATOM 1702 OG1 THR A 111 -4.664 -6.241 -6.602 1.00 0.00 O ATOM 1703 CG2 THR A 111 -3.940 -5.319 -4.526 1.00 0.00 C ATOM 0 H THR A 111 -5.840 -8.410 -6.031 1.00 0.00 H new ATOM 0 HA THR A 111 -3.196 -7.973 -5.207 1.00 0.00 H new ATOM 0 HB THR A 111 -5.746 -6.402 -4.842 1.00 0.00 H new ATOM 0 HG1 THR A 111 -5.535 -6.453 -6.999 1.00 0.00 H new ATOM 0 HG21 THR A 111 -4.353 -4.356 -4.827 1.00 0.00 H new ATOM 0 HG22 THR A 111 -4.019 -5.425 -3.444 1.00 0.00 H new ATOM 0 HG23 THR A 111 -2.892 -5.373 -4.820 1.00 0.00 H new ATOM 1711 N LEU A 112 -5.191 -8.614 -2.695 1.00 0.00 N ATOM 1712 CA LEU A 112 -5.117 -8.963 -1.296 1.00 0.00 C ATOM 1713 C LEU A 112 -4.094 -10.081 -1.135 1.00 0.00 C ATOM 1714 O LEU A 112 -3.192 -9.950 -0.307 1.00 0.00 O ATOM 1715 CB LEU A 112 -6.515 -9.342 -0.788 1.00 0.00 C ATOM 1716 CG LEU A 112 -6.587 -9.669 0.709 1.00 0.00 C ATOM 1717 CD1 LEU A 112 -6.207 -11.125 0.946 1.00 0.00 C ATOM 1718 CD2 LEU A 112 -5.798 -8.695 1.594 1.00 0.00 C ATOM 0 H LEU A 112 -6.092 -8.808 -3.131 1.00 0.00 H new ATOM 0 HA LEU A 112 -4.785 -8.121 -0.689 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.199 -8.520 -1.000 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.870 -10.205 -1.352 1.00 0.00 H new ATOM 0 HG LEU A 112 -7.623 -9.531 1.020 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -6.261 -11.346 2.012 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -6.896 -11.774 0.405 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -5.191 -11.298 0.591 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.897 -8.991 2.638 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -4.746 -8.715 1.309 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.190 -7.686 1.464 1.00 0.00 H new ATOM 1730 N GLY A 113 -4.233 -11.167 -1.902 1.00 0.00 N ATOM 1731 CA GLY A 113 -3.284 -12.276 -1.899 1.00 0.00 C ATOM 1732 C GLY A 113 -1.847 -11.776 -2.063 1.00 0.00 C ATOM 1733 O GLY A 113 -0.991 -12.076 -1.230 1.00 0.00 O ATOM 0 H GLY A 113 -5.014 -11.299 -2.545 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -3.374 -12.832 -0.966 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -3.526 -12.967 -2.707 1.00 0.00 H new ATOM 1737 N VAL A 114 -1.605 -10.956 -3.088 1.00 0.00 N ATOM 1738 CA VAL A 114 -0.306 -10.359 -3.382 1.00 0.00 C ATOM 1739 C VAL A 114 0.205 -9.557 -2.171 1.00 0.00 C ATOM 1740 O VAL A 114 1.298 -9.829 -1.677 1.00 0.00 O ATOM 1741 CB VAL A 114 -0.411 -9.526 -4.674 1.00 0.00 C ATOM 1742 CG1 VAL A 114 0.920 -8.857 -4.999 1.00 0.00 C ATOM 1743 CG2 VAL A 114 -0.804 -10.399 -5.876 1.00 0.00 C ATOM 0 H VAL A 114 -2.329 -10.683 -3.753 1.00 0.00 H new ATOM 0 HA VAL A 114 0.439 -11.135 -3.560 1.00 0.00 H new ATOM 0 HB VAL A 114 -1.180 -8.774 -4.498 1.00 0.00 H new ATOM 0 HG11 VAL A 114 0.820 -8.275 -5.915 1.00 0.00 H new ATOM 0 HG12 VAL A 114 1.206 -8.198 -4.179 1.00 0.00 H new ATOM 0 HG13 VAL A 114 1.687 -9.620 -5.135 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -0.869 -9.779 -6.770 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -0.051 -11.173 -6.025 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -1.771 -10.865 -5.687 1.00 0.00 H new ATOM 1753 N ALA A 115 -0.579 -8.620 -1.629 1.00 0.00 N ATOM 1754 CA ALA A 115 -0.162 -7.800 -0.491 1.00 0.00 C ATOM 1755 C ALA A 115 0.171 -8.646 0.739 1.00 0.00 C ATOM 1756 O ALA A 115 1.148 -8.384 1.442 1.00 0.00 O ATOM 1757 CB ALA A 115 -1.262 -6.786 -0.160 1.00 0.00 C ATOM 0 H ALA A 115 -1.518 -8.410 -1.967 1.00 0.00 H new ATOM 0 HA ALA A 115 0.751 -7.275 -0.773 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -0.951 -6.175 0.688 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -1.438 -6.145 -1.024 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -2.181 -7.315 0.092 1.00 0.00 H new ATOM 1763 N THR A 116 -0.627 -9.681 0.993 1.00 0.00 N ATOM 1764 CA THR A 116 -0.450 -10.591 2.119 1.00 0.00 C ATOM 1765 C THR A 116 0.782 -11.494 1.913 1.00 0.00 C ATOM 1766 O THR A 116 1.294 -12.083 2.873 1.00 0.00 O ATOM 1767 CB THR A 116 -1.754 -11.387 2.293 1.00 0.00 C ATOM 1768 OG1 THR A 116 -2.882 -10.527 2.261 1.00 0.00 O ATOM 1769 CG2 THR A 116 -1.830 -12.117 3.629 1.00 0.00 C ATOM 0 H THR A 116 -1.430 -9.914 0.409 1.00 0.00 H new ATOM 0 HA THR A 116 -0.253 -10.036 3.036 1.00 0.00 H new ATOM 0 HB THR A 116 -1.758 -12.103 1.471 1.00 0.00 H new ATOM 0 HG1 THR A 116 -3.153 -10.378 1.331 1.00 0.00 H new ATOM 0 HG21 THR A 116 -2.773 -12.661 3.693 1.00 0.00 H new ATOM 0 HG22 THR A 116 -1.000 -12.819 3.708 1.00 0.00 H new ATOM 0 HG23 THR A 116 -1.772 -11.394 4.443 1.00 0.00 H new ATOM 1777 N CYS A 117 1.285 -11.609 0.680 1.00 0.00 N ATOM 1778 CA CYS A 117 2.601 -12.145 0.385 1.00 0.00 C ATOM 1779 C CYS A 117 3.683 -11.094 0.646 1.00 0.00 C ATOM 1780 O CYS A 117 4.653 -11.449 1.317 1.00 0.00 O ATOM 1781 CB CYS A 117 2.627 -12.733 -1.030 1.00 0.00 C ATOM 1782 SG CYS A 117 4.264 -13.141 -1.694 1.00 0.00 S ATOM 0 H CYS A 117 0.771 -11.323 -0.153 1.00 0.00 H new ATOM 0 HA CYS A 117 2.826 -12.971 1.060 1.00 0.00 H new ATOM 0 HB2 CYS A 117 2.019 -13.637 -1.037 1.00 0.00 H new ATOM 0 HB3 CYS A 117 2.150 -12.023 -1.705 1.00 0.00 H new ATOM 1787 N PHE A 118 3.548 -9.830 0.197 1.00 0.00 N ATOM 1788 CA PHE A 118 4.626 -8.850 0.349 1.00 0.00 C ATOM 1789 C PHE A 118 5.027 -8.735 1.832 1.00 0.00 C ATOM 1790 O PHE A 118 6.165 -8.977 2.229 1.00 0.00 O ATOM 1791 CB PHE A 118 4.191 -7.505 -0.275 1.00 0.00 C ATOM 1792 CG PHE A 118 5.225 -6.386 -0.280 1.00 0.00 C ATOM 1793 CD1 PHE A 118 6.540 -6.617 0.131 1.00 0.00 C ATOM 1794 CD2 PHE A 118 4.895 -5.102 -0.740 1.00 0.00 C ATOM 1795 CE1 PHE A 118 7.504 -5.608 0.071 1.00 0.00 C ATOM 1796 CE2 PHE A 118 5.829 -4.049 -0.706 1.00 0.00 C ATOM 1797 CZ PHE A 118 7.139 -4.304 -0.294 1.00 0.00 C ATOM 0 H PHE A 118 2.712 -9.473 -0.267 1.00 0.00 H new ATOM 0 HA PHE A 118 5.518 -9.175 -0.187 1.00 0.00 H new ATOM 0 HB2 PHE A 118 3.886 -7.691 -1.305 1.00 0.00 H new ATOM 0 HB3 PHE A 118 3.310 -7.151 0.260 1.00 0.00 H new ATOM 0 HD1 PHE A 118 6.816 -7.593 0.502 1.00 0.00 H new ATOM 0 HD2 PHE A 118 3.904 -4.918 -1.128 1.00 0.00 H new ATOM 0 HE1 PHE A 118 8.534 -5.833 0.306 1.00 0.00 H new ATOM 0 HE2 PHE A 118 5.535 -3.051 -0.996 1.00 0.00 H new ATOM 0 HZ PHE A 118 7.864 -3.504 -0.257 1.00 0.00 H new ATOM 1807 N LYS A 119 4.047 -8.453 2.674 1.00 0.00 N ATOM 1808 CA LYS A 119 4.109 -8.393 4.135 1.00 0.00 C ATOM 1809 C LYS A 119 4.970 -9.525 4.701 1.00 0.00 C ATOM 1810 O LYS A 119 5.905 -9.281 5.467 1.00 0.00 O ATOM 1811 CB LYS A 119 2.656 -8.453 4.646 1.00 0.00 C ATOM 1812 CG LYS A 119 2.325 -7.630 5.903 1.00 0.00 C ATOM 1813 CD LYS A 119 2.922 -8.166 7.209 1.00 0.00 C ATOM 1814 CE LYS A 119 4.255 -7.485 7.540 1.00 0.00 C ATOM 1815 NZ LYS A 119 4.842 -7.987 8.800 1.00 0.00 N ATOM 0 H LYS A 119 3.110 -8.242 2.331 1.00 0.00 H new ATOM 0 HA LYS A 119 4.584 -7.471 4.469 1.00 0.00 H new ATOM 0 HB2 LYS A 119 2.000 -8.122 3.841 1.00 0.00 H new ATOM 0 HB3 LYS A 119 2.411 -9.495 4.849 1.00 0.00 H new ATOM 0 HG2 LYS A 119 2.677 -6.609 5.753 1.00 0.00 H new ATOM 0 HG3 LYS A 119 1.241 -7.581 6.011 1.00 0.00 H new ATOM 0 HD2 LYS A 119 2.218 -8.005 8.025 1.00 0.00 H new ATOM 0 HD3 LYS A 119 3.073 -9.242 7.126 1.00 0.00 H new ATOM 0 HE2 LYS A 119 4.958 -7.650 6.723 1.00 0.00 H new ATOM 0 HE3 LYS A 119 4.102 -6.409 7.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 5.742 -7.498 8.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 4.184 -7.807 9.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 5.014 -9.010 8.720 1.00 0.00 H new ATOM 1829 N ALA A 120 4.634 -10.761 4.338 1.00 0.00 N ATOM 1830 CA ALA A 120 5.357 -11.950 4.780 1.00 0.00 C ATOM 1831 C ALA A 120 6.804 -11.961 4.269 1.00 0.00 C ATOM 1832 O ALA A 120 7.713 -12.228 5.047 1.00 0.00 O ATOM 1833 CB ALA A 120 4.610 -13.214 4.342 1.00 0.00 C ATOM 0 H ALA A 120 3.846 -10.966 3.724 1.00 0.00 H new ATOM 0 HA ALA A 120 5.404 -11.929 5.869 1.00 0.00 H new ATOM 0 HB1 ALA A 120 5.158 -14.095 4.677 1.00 0.00 H new ATOM 0 HB2 ALA A 120 3.613 -13.218 4.782 1.00 0.00 H new ATOM 0 HB3 ALA A 120 4.527 -13.230 3.255 1.00 0.00 H new ATOM 1839 N GLU A 121 7.054 -11.652 2.995 1.00 0.00 N ATOM 1840 CA GLU A 121 8.405 -11.595 2.438 1.00 0.00 C ATOM 1841 C GLU A 121 9.282 -10.568 3.154 1.00 0.00 C ATOM 1842 O GLU A 121 10.467 -10.824 3.361 1.00 0.00 O ATOM 1843 CB GLU A 121 8.355 -11.231 0.957 1.00 0.00 C ATOM 1844 CG GLU A 121 7.997 -12.385 0.024 1.00 0.00 C ATOM 1845 CD GLU A 121 9.142 -13.371 -0.218 1.00 0.00 C ATOM 1846 OE1 GLU A 121 10.184 -13.311 0.468 1.00 0.00 O ATOM 1847 OE2 GLU A 121 9.036 -14.176 -1.169 1.00 0.00 O ATOM 0 H GLU A 121 6.322 -11.434 2.319 1.00 0.00 H new ATOM 0 HA GLU A 121 8.840 -12.585 2.576 1.00 0.00 H new ATOM 0 HB2 GLU A 121 7.627 -10.432 0.819 1.00 0.00 H new ATOM 0 HB3 GLU A 121 9.326 -10.833 0.663 1.00 0.00 H new ATOM 0 HG2 GLU A 121 7.148 -12.926 0.442 1.00 0.00 H new ATOM 0 HG3 GLU A 121 7.675 -11.977 -0.934 1.00 0.00 H new ATOM 1854 N ILE A 122 8.738 -9.420 3.577 1.00 0.00 N ATOM 1855 CA ILE A 122 9.512 -8.481 4.381 1.00 0.00 C ATOM 1856 C ILE A 122 10.025 -9.180 5.649 1.00 0.00 C ATOM 1857 O ILE A 122 11.126 -8.874 6.101 1.00 0.00 O ATOM 1858 CB ILE A 122 8.719 -7.181 4.662 1.00 0.00 C ATOM 1859 CG1 ILE A 122 8.371 -6.465 3.345 1.00 0.00 C ATOM 1860 CG2 ILE A 122 9.477 -6.270 5.649 1.00 0.00 C ATOM 1861 CD1 ILE A 122 7.564 -5.174 3.539 1.00 0.00 C ATOM 0 H ILE A 122 7.782 -9.127 3.378 1.00 0.00 H new ATOM 0 HA ILE A 122 10.388 -8.160 3.818 1.00 0.00 H new ATOM 0 HB ILE A 122 7.777 -7.443 5.143 1.00 0.00 H new ATOM 0 HG12 ILE A 122 9.294 -6.230 2.815 1.00 0.00 H new ATOM 0 HG13 ILE A 122 7.803 -7.146 2.711 1.00 0.00 H new ATOM 0 HG21 ILE A 122 8.897 -5.365 5.828 1.00 0.00 H new ATOM 0 HG22 ILE A 122 9.625 -6.798 6.591 1.00 0.00 H new ATOM 0 HG23 ILE A 122 10.446 -6.003 5.227 1.00 0.00 H new ATOM 0 HD11 ILE A 122 7.356 -4.725 2.568 1.00 0.00 H new ATOM 0 HD12 ILE A 122 6.624 -5.404 4.041 1.00 0.00 H new ATOM 0 HD13 ILE A 122 8.138 -4.474 4.147 1.00 0.00 H new ATOM 1873 N HIS A 123 9.298 -10.152 6.219 1.00 0.00 N ATOM 1874 CA HIS A 123 9.789 -10.873 7.389 1.00 0.00 C ATOM 1875 C HIS A 123 11.012 -11.731 7.048 1.00 0.00 C ATOM 1876 O HIS A 123 11.885 -11.895 7.898 1.00 0.00 O ATOM 1877 CB HIS A 123 8.684 -11.730 8.029 1.00 0.00 C ATOM 1878 CG HIS A 123 8.943 -12.091 9.477 1.00 0.00 C ATOM 1879 ND1 HIS A 123 8.357 -13.135 10.157 1.00 0.00 N ATOM 1880 CD2 HIS A 123 9.751 -11.424 10.363 1.00 0.00 C ATOM 1881 CE1 HIS A 123 8.790 -13.090 11.428 1.00 0.00 C ATOM 1882 NE2 HIS A 123 9.673 -12.087 11.596 1.00 0.00 N ATOM 0 H HIS A 123 8.380 -10.450 5.890 1.00 0.00 H new ATOM 0 HA HIS A 123 10.097 -10.125 8.119 1.00 0.00 H new ATOM 0 HB2 HIS A 123 7.738 -11.192 7.963 1.00 0.00 H new ATOM 0 HB3 HIS A 123 8.570 -12.647 7.452 1.00 0.00 H new ATOM 0 HD2 HIS A 123 10.341 -10.545 10.149 1.00 0.00 H new ATOM 0 HE1 HIS A 123 8.473 -13.766 12.209 1.00 0.00 H new ATOM 0 HE2 HIS A 123 10.183 -11.856 12.449 1.00 0.00 H new ATOM 1890 N LYS A 124 11.116 -12.230 5.811 1.00 0.00 N ATOM 1891 CA LYS A 124 12.290 -12.966 5.351 1.00 0.00 C ATOM 1892 C LYS A 124 13.497 -12.042 5.178 1.00 0.00 C ATOM 1893 O LYS A 124 14.627 -12.538 5.186 1.00 0.00 O ATOM 1894 CB LYS A 124 11.992 -13.701 4.031 1.00 0.00 C ATOM 1895 CG LYS A 124 10.932 -14.811 4.156 1.00 0.00 C ATOM 1896 CD LYS A 124 10.629 -15.421 2.775 1.00 0.00 C ATOM 1897 CE LYS A 124 10.464 -16.943 2.797 1.00 0.00 C ATOM 1898 NZ LYS A 124 9.111 -17.388 3.192 1.00 0.00 N ATOM 0 H LYS A 124 10.387 -12.133 5.104 1.00 0.00 H new ATOM 0 HA LYS A 124 12.534 -13.703 6.116 1.00 0.00 H new ATOM 0 HB2 LYS A 124 11.657 -12.975 3.291 1.00 0.00 H new ATOM 0 HB3 LYS A 124 12.917 -14.137 3.653 1.00 0.00 H new ATOM 0 HG2 LYS A 124 11.287 -15.587 4.834 1.00 0.00 H new ATOM 0 HG3 LYS A 124 10.019 -14.403 4.589 1.00 0.00 H new ATOM 0 HD2 LYS A 124 9.718 -14.971 2.381 1.00 0.00 H new ATOM 0 HD3 LYS A 124 11.435 -15.162 2.088 1.00 0.00 H new ATOM 0 HE2 LYS A 124 10.693 -17.339 1.807 1.00 0.00 H new ATOM 0 HE3 LYS A 124 11.193 -17.369 3.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 9.072 -18.427 3.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 8.896 -17.040 4.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 8.412 -17.011 2.521 1.00 0.00 H new ATOM 1912 N LEU A 125 13.325 -10.727 4.994 1.00 0.00 N ATOM 1913 CA LEU A 125 14.463 -9.810 4.902 1.00 0.00 C ATOM 1914 C LEU A 125 15.184 -9.723 6.247 1.00 0.00 C ATOM 1915 O LEU A 125 14.639 -10.035 7.307 1.00 0.00 O ATOM 1916 CB LEU A 125 14.044 -8.395 4.459 1.00 0.00 C ATOM 1917 CG LEU A 125 13.630 -8.280 2.981 1.00 0.00 C ATOM 1918 CD1 LEU A 125 12.905 -6.952 2.734 1.00 0.00 C ATOM 1919 CD2 LEU A 125 14.880 -8.360 2.093 1.00 0.00 C ATOM 0 H LEU A 125 12.413 -10.278 4.907 1.00 0.00 H new ATOM 0 HA LEU A 125 15.132 -10.215 4.143 1.00 0.00 H new ATOM 0 HB2 LEU A 125 13.212 -8.065 5.082 1.00 0.00 H new ATOM 0 HB3 LEU A 125 14.872 -7.711 4.645 1.00 0.00 H new ATOM 0 HG LEU A 125 12.954 -9.099 2.736 1.00 0.00 H new ATOM 0 HD11 LEU A 125 12.618 -6.884 1.685 1.00 0.00 H new ATOM 0 HD12 LEU A 125 12.013 -6.903 3.358 1.00 0.00 H new ATOM 0 HD13 LEU A 125 13.568 -6.124 2.983 1.00 0.00 H new ATOM 0 HD21 LEU A 125 14.588 -8.279 1.046 1.00 0.00 H new ATOM 0 HD22 LEU A 125 15.558 -7.545 2.345 1.00 0.00 H new ATOM 0 HD23 LEU A 125 15.382 -9.313 2.257 1.00 0.00 H new ATOM 1931 N ASN A 126 16.423 -9.239 6.200 1.00 0.00 N ATOM 1932 CA ASN A 126 17.237 -8.914 7.376 1.00 0.00 C ATOM 1933 C ASN A 126 16.997 -7.495 7.889 1.00 0.00 C ATOM 1934 O ASN A 126 17.350 -7.171 9.020 1.00 0.00 O ATOM 1935 CB ASN A 126 18.709 -9.097 7.005 1.00 0.00 C ATOM 1936 CG ASN A 126 19.674 -8.840 8.159 1.00 0.00 C ATOM 1937 OD1 ASN A 126 19.610 -9.470 9.210 1.00 0.00 O ATOM 1938 ND2 ASN A 126 20.634 -7.949 7.978 1.00 0.00 N ATOM 0 H ASN A 126 16.905 -9.056 5.320 1.00 0.00 H new ATOM 0 HA ASN A 126 16.951 -9.585 8.186 1.00 0.00 H new ATOM 0 HB2 ASN A 126 18.858 -10.113 6.639 1.00 0.00 H new ATOM 0 HB3 ASN A 126 18.953 -8.424 6.183 1.00 0.00 H new ATOM 0 HD21 ASN A 126 21.322 -7.785 8.712 1.00 0.00 H new ATOM 0 HD22 ASN A 126 20.686 -7.426 7.104 1.00 0.00 H new ATOM 1945 N TRP A 127 16.378 -6.656 7.063 1.00 0.00 N ATOM 1946 CA TRP A 127 16.047 -5.271 7.376 1.00 0.00 C ATOM 1947 C TRP A 127 14.530 -5.091 7.366 1.00 0.00 C ATOM 1948 O TRP A 127 13.780 -6.035 7.101 1.00 0.00 O ATOM 1949 CB TRP A 127 16.762 -4.316 6.407 1.00 0.00 C ATOM 1950 CG TRP A 127 16.294 -4.361 4.985 1.00 0.00 C ATOM 1951 CD1 TRP A 127 16.539 -5.356 4.102 1.00 0.00 C ATOM 1952 CD2 TRP A 127 15.486 -3.381 4.264 1.00 0.00 C ATOM 1953 NE1 TRP A 127 15.937 -5.066 2.897 1.00 0.00 N ATOM 1954 CE2 TRP A 127 15.230 -3.889 2.959 1.00 0.00 C ATOM 1955 CE3 TRP A 127 14.938 -2.117 4.576 1.00 0.00 C ATOM 1956 CZ2 TRP A 127 14.413 -3.220 2.044 1.00 0.00 C ATOM 1957 CZ3 TRP A 127 14.167 -1.403 3.637 1.00 0.00 C ATOM 1958 CH2 TRP A 127 13.888 -1.963 2.378 1.00 0.00 C ATOM 0 H TRP A 127 16.084 -6.932 6.126 1.00 0.00 H new ATOM 0 HA TRP A 127 16.400 -5.023 8.377 1.00 0.00 H new ATOM 0 HB2 TRP A 127 16.644 -3.297 6.777 1.00 0.00 H new ATOM 0 HB3 TRP A 127 17.829 -4.540 6.426 1.00 0.00 H new ATOM 0 HD1 TRP A 127 17.119 -6.243 4.310 1.00 0.00 H new ATOM 0 HE1 TRP A 127 16.007 -5.651 2.064 1.00 0.00 H new ATOM 0 HE3 TRP A 127 15.113 -1.690 5.552 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 14.188 -3.667 1.087 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 13.789 -0.422 3.885 1.00 0.00 H new ATOM 0 HH2 TRP A 127 13.272 -1.427 1.671 1.00 0.00 H new ATOM 1969 N ALA A 128 14.085 -3.880 7.683 1.00 0.00 N ATOM 1970 CA ALA A 128 12.690 -3.489 7.804 1.00 0.00 C ATOM 1971 C ALA A 128 12.515 -2.107 7.165 1.00 0.00 C ATOM 1972 O ALA A 128 13.091 -1.147 7.685 1.00 0.00 O ATOM 1973 CB ALA A 128 12.311 -3.442 9.285 1.00 0.00 C ATOM 0 H ALA A 128 14.723 -3.107 7.872 1.00 0.00 H new ATOM 0 HA ALA A 128 12.044 -4.206 7.298 1.00 0.00 H new ATOM 0 HB1 ALA A 128 11.266 -3.149 9.384 1.00 0.00 H new ATOM 0 HB2 ALA A 128 12.456 -4.427 9.729 1.00 0.00 H new ATOM 0 HB3 ALA A 128 12.941 -2.716 9.799 1.00 0.00 H new ATOM 1979 N PRO A 129 11.766 -1.958 6.063 1.00 0.00 N ATOM 1980 CA PRO A 129 11.373 -0.642 5.570 1.00 0.00 C ATOM 1981 C PRO A 129 10.410 0.021 6.564 1.00 0.00 C ATOM 1982 O PRO A 129 9.695 -0.684 7.290 1.00 0.00 O ATOM 1983 CB PRO A 129 10.684 -0.888 4.216 1.00 0.00 C ATOM 1984 CG PRO A 129 10.757 -2.398 3.974 1.00 0.00 C ATOM 1985 CD PRO A 129 11.113 -3.014 5.315 1.00 0.00 C ATOM 0 HA PRO A 129 12.227 0.026 5.458 1.00 0.00 H new ATOM 0 HB2 PRO A 129 9.649 -0.546 4.237 1.00 0.00 H new ATOM 0 HB3 PRO A 129 11.185 -0.340 3.418 1.00 0.00 H new ATOM 0 HG2 PRO A 129 9.805 -2.782 3.608 1.00 0.00 H new ATOM 0 HG3 PRO A 129 11.508 -2.638 3.222 1.00 0.00 H new ATOM 0 HD2 PRO A 129 10.222 -3.369 5.833 1.00 0.00 H new ATOM 0 HD3 PRO A 129 11.773 -3.873 5.190 1.00 0.00 H new ATOM 1993 N SER A 130 10.281 1.350 6.534 1.00 0.00 N ATOM 1994 CA SER A 130 9.137 2.016 7.146 1.00 0.00 C ATOM 1995 C SER A 130 7.853 1.595 6.429 1.00 0.00 C ATOM 1996 O SER A 130 7.891 1.173 5.266 1.00 0.00 O ATOM 1997 CB SER A 130 9.287 3.536 7.063 1.00 0.00 C ATOM 1998 OG SER A 130 10.567 4.003 7.448 1.00 0.00 O ATOM 0 H SER A 130 10.952 1.980 6.094 1.00 0.00 H new ATOM 0 HA SER A 130 9.089 1.725 8.195 1.00 0.00 H new ATOM 0 HB2 SER A 130 9.085 3.857 6.041 1.00 0.00 H new ATOM 0 HB3 SER A 130 8.534 4.002 7.698 1.00 0.00 H new ATOM 0 HG SER A 130 10.596 4.979 7.370 1.00 0.00 H new ATOM 2004 N MET A 131 6.700 1.732 7.084 1.00 0.00 N ATOM 2005 CA MET A 131 5.428 1.470 6.441 1.00 0.00 C ATOM 2006 C MET A 131 5.241 2.450 5.290 1.00 0.00 C ATOM 2007 O MET A 131 4.959 2.017 4.182 1.00 0.00 O ATOM 2008 CB MET A 131 4.293 1.547 7.453 1.00 0.00 C ATOM 2009 CG MET A 131 4.243 0.275 8.309 1.00 0.00 C ATOM 2010 SD MET A 131 5.249 0.185 9.822 1.00 0.00 S ATOM 2011 CE MET A 131 6.766 -0.621 9.239 1.00 0.00 C ATOM 0 H MET A 131 6.629 2.023 8.059 1.00 0.00 H new ATOM 0 HA MET A 131 5.417 0.459 6.033 1.00 0.00 H new ATOM 0 HB2 MET A 131 4.429 2.418 8.094 1.00 0.00 H new ATOM 0 HB3 MET A 131 3.344 1.679 6.933 1.00 0.00 H new ATOM 0 HG2 MET A 131 3.204 0.113 8.595 1.00 0.00 H new ATOM 0 HG3 MET A 131 4.532 -0.561 7.672 1.00 0.00 H new ATOM 0 HE1 MET A 131 6.868 -1.595 9.718 1.00 0.00 H new ATOM 0 HE2 MET A 131 6.716 -0.752 8.158 1.00 0.00 H new ATOM 0 HE3 MET A 131 7.627 -0.001 9.490 1.00 0.00 H new ATOM 2021 N ASP A 132 5.496 3.740 5.512 1.00 0.00 N ATOM 2022 CA ASP A 132 5.443 4.778 4.480 1.00 0.00 C ATOM 2023 C ASP A 132 6.125 4.321 3.186 1.00 0.00 C ATOM 2024 O ASP A 132 5.558 4.494 2.110 1.00 0.00 O ATOM 2025 CB ASP A 132 6.081 6.075 4.996 1.00 0.00 C ATOM 2026 CG ASP A 132 5.166 6.846 5.946 1.00 0.00 C ATOM 2027 OD1 ASP A 132 4.878 6.327 7.054 1.00 0.00 O ATOM 2028 OD2 ASP A 132 4.772 7.976 5.595 1.00 0.00 O ATOM 0 H ASP A 132 5.750 4.100 6.432 1.00 0.00 H new ATOM 0 HA ASP A 132 4.394 4.967 4.250 1.00 0.00 H new ATOM 0 HB2 ASP A 132 7.013 5.837 5.509 1.00 0.00 H new ATOM 0 HB3 ASP A 132 6.337 6.711 4.149 1.00 0.00 H new ATOM 2033 N VAL A 133 7.291 3.667 3.282 1.00 0.00 N ATOM 2034 CA VAL A 133 7.962 3.076 2.130 1.00 0.00 C ATOM 2035 C VAL A 133 7.165 1.865 1.608 1.00 0.00 C ATOM 2036 O VAL A 133 6.603 1.946 0.526 1.00 0.00 O ATOM 2037 CB VAL A 133 9.429 2.718 2.473 1.00 0.00 C ATOM 2038 CG1 VAL A 133 10.147 2.059 1.291 1.00 0.00 C ATOM 2039 CG2 VAL A 133 10.253 3.947 2.892 1.00 0.00 C ATOM 0 H VAL A 133 7.790 3.536 4.162 1.00 0.00 H new ATOM 0 HA VAL A 133 7.998 3.809 1.324 1.00 0.00 H new ATOM 0 HB VAL A 133 9.363 2.022 3.309 1.00 0.00 H new ATOM 0 HG11 VAL A 133 11.173 1.824 1.574 1.00 0.00 H new ATOM 0 HG12 VAL A 133 9.627 1.141 1.015 1.00 0.00 H new ATOM 0 HG13 VAL A 133 10.152 2.742 0.442 1.00 0.00 H new ATOM 0 HG21 VAL A 133 11.273 3.640 3.121 1.00 0.00 H new ATOM 0 HG22 VAL A 133 10.266 4.671 2.077 1.00 0.00 H new ATOM 0 HG23 VAL A 133 9.804 4.402 3.775 1.00 0.00 H new ATOM 2049 N ALA A 134 7.089 0.739 2.337 1.00 0.00 N ATOM 2050 CA ALA A 134 6.548 -0.530 1.811 1.00 0.00 C ATOM 2051 C ALA A 134 5.065 -0.461 1.410 1.00 0.00 C ATOM 2052 O ALA A 134 4.568 -1.352 0.722 1.00 0.00 O ATOM 2053 CB ALA A 134 6.712 -1.629 2.861 1.00 0.00 C ATOM 0 H ALA A 134 7.400 0.681 3.307 1.00 0.00 H new ATOM 0 HA ALA A 134 7.116 -0.745 0.906 1.00 0.00 H new ATOM 0 HB1 ALA A 134 6.313 -2.566 2.473 1.00 0.00 H new ATOM 0 HB2 ALA A 134 7.769 -1.754 3.094 1.00 0.00 H new ATOM 0 HB3 ALA A 134 6.171 -1.351 3.766 1.00 0.00 H new ATOM 2059 N VAL A 135 4.324 0.536 1.881 1.00 0.00 N ATOM 2060 CA VAL A 135 2.952 0.819 1.491 1.00 0.00 C ATOM 2061 C VAL A 135 2.975 1.768 0.295 1.00 0.00 C ATOM 2062 O VAL A 135 2.206 1.573 -0.642 1.00 0.00 O ATOM 2063 CB VAL A 135 2.179 1.423 2.676 1.00 0.00 C ATOM 2064 CG1 VAL A 135 0.694 1.556 2.322 1.00 0.00 C ATOM 2065 CG2 VAL A 135 2.281 0.538 3.932 1.00 0.00 C ATOM 0 H VAL A 135 4.680 1.195 2.574 1.00 0.00 H new ATOM 0 HA VAL A 135 2.441 -0.100 1.205 1.00 0.00 H new ATOM 0 HB VAL A 135 2.622 2.397 2.881 1.00 0.00 H new ATOM 0 HG11 VAL A 135 0.155 1.984 3.167 1.00 0.00 H new ATOM 0 HG12 VAL A 135 0.584 2.206 1.454 1.00 0.00 H new ATOM 0 HG13 VAL A 135 0.285 0.572 2.092 1.00 0.00 H new ATOM 0 HG21 VAL A 135 1.722 0.998 4.747 1.00 0.00 H new ATOM 0 HG22 VAL A 135 1.866 -0.447 3.718 1.00 0.00 H new ATOM 0 HG23 VAL A 135 3.327 0.436 4.221 1.00 0.00 H new ATOM 2075 N GLY A 136 3.858 2.768 0.317 1.00 0.00 N ATOM 2076 CA GLY A 136 4.152 3.613 -0.817 1.00 0.00 C ATOM 2077 C GLY A 136 4.439 2.760 -2.064 1.00 0.00 C ATOM 2078 O GLY A 136 3.823 2.983 -3.104 1.00 0.00 O ATOM 0 H GLY A 136 4.396 3.010 1.149 1.00 0.00 H new ATOM 0 HA2 GLY A 136 3.311 4.278 -1.010 1.00 0.00 H new ATOM 0 HA3 GLY A 136 5.013 4.244 -0.595 1.00 0.00 H new ATOM 2082 N GLU A 137 5.312 1.755 -1.945 1.00 0.00 N ATOM 2083 CA GLU A 137 5.886 0.994 -3.051 1.00 0.00 C ATOM 2084 C GLU A 137 4.862 0.038 -3.650 1.00 0.00 C ATOM 2085 O GLU A 137 4.644 0.059 -4.855 1.00 0.00 O ATOM 2086 CB GLU A 137 7.128 0.224 -2.581 1.00 0.00 C ATOM 2087 CG GLU A 137 8.258 1.178 -2.159 1.00 0.00 C ATOM 2088 CD GLU A 137 9.588 0.843 -2.827 1.00 0.00 C ATOM 2089 OE1 GLU A 137 9.695 1.064 -4.051 1.00 0.00 O ATOM 2090 OE2 GLU A 137 10.500 0.407 -2.092 1.00 0.00 O ATOM 0 H GLU A 137 5.650 1.439 -1.036 1.00 0.00 H new ATOM 0 HA GLU A 137 6.183 1.698 -3.828 1.00 0.00 H new ATOM 0 HB2 GLU A 137 6.862 -0.420 -1.743 1.00 0.00 H new ATOM 0 HB3 GLU A 137 7.479 -0.425 -3.383 1.00 0.00 H new ATOM 0 HG2 GLU A 137 7.977 2.201 -2.409 1.00 0.00 H new ATOM 0 HG3 GLU A 137 8.379 1.136 -1.076 1.00 0.00 H new ATOM 2097 N ILE A 138 4.177 -0.760 -2.814 1.00 0.00 N ATOM 2098 CA ILE A 138 3.231 -1.758 -3.333 1.00 0.00 C ATOM 2099 C ILE A 138 2.169 -1.082 -4.208 1.00 0.00 C ATOM 2100 O ILE A 138 1.742 -1.615 -5.228 1.00 0.00 O ATOM 2101 CB ILE A 138 2.612 -2.606 -2.193 1.00 0.00 C ATOM 2102 CG1 ILE A 138 1.903 -3.848 -2.788 1.00 0.00 C ATOM 2103 CG2 ILE A 138 1.717 -1.811 -1.229 1.00 0.00 C ATOM 2104 CD1 ILE A 138 1.258 -4.831 -1.795 1.00 0.00 C ATOM 0 H ILE A 138 4.258 -0.735 -1.798 1.00 0.00 H new ATOM 0 HA ILE A 138 3.778 -2.457 -3.965 1.00 0.00 H new ATOM 0 HB ILE A 138 3.434 -2.943 -1.561 1.00 0.00 H new ATOM 0 HG12 ILE A 138 1.128 -3.500 -3.471 1.00 0.00 H new ATOM 0 HG13 ILE A 138 2.630 -4.399 -3.385 1.00 0.00 H new ATOM 0 HG21 ILE A 138 1.325 -2.479 -0.462 1.00 0.00 H new ATOM 0 HG22 ILE A 138 2.302 -1.021 -0.757 1.00 0.00 H new ATOM 0 HG23 ILE A 138 0.889 -1.368 -1.783 1.00 0.00 H new ATOM 0 HD11 ILE A 138 0.798 -5.653 -2.344 1.00 0.00 H new ATOM 0 HD12 ILE A 138 2.022 -5.225 -1.125 1.00 0.00 H new ATOM 0 HD13 ILE A 138 0.497 -4.312 -1.212 1.00 0.00 H new ATOM 2116 N LEU A 139 1.748 0.115 -3.810 1.00 0.00 N ATOM 2117 CA LEU A 139 0.762 0.902 -4.522 1.00 0.00 C ATOM 2118 C LEU A 139 1.361 1.588 -5.741 1.00 0.00 C ATOM 2119 O LEU A 139 0.706 1.748 -6.763 1.00 0.00 O ATOM 2120 CB LEU A 139 0.264 1.971 -3.568 1.00 0.00 C ATOM 2121 CG LEU A 139 -0.520 1.428 -2.360 1.00 0.00 C ATOM 2122 CD1 LEU A 139 -0.945 2.582 -1.463 1.00 0.00 C ATOM 2123 CD2 LEU A 139 -1.770 0.638 -2.729 1.00 0.00 C ATOM 0 H LEU A 139 2.094 0.569 -2.965 1.00 0.00 H new ATOM 0 HA LEU A 139 -0.038 0.245 -4.864 1.00 0.00 H new ATOM 0 HB2 LEU A 139 1.118 2.543 -3.205 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -0.373 2.664 -4.118 1.00 0.00 H new ATOM 0 HG LEU A 139 0.161 0.744 -1.855 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -1.500 2.194 -0.609 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -0.061 3.113 -1.110 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -1.579 3.267 -2.027 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -2.263 0.292 -1.821 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -2.452 1.277 -3.291 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -1.491 -0.220 -3.340 1.00 0.00 H new ATOM 2135 N ALA A 140 2.594 2.051 -5.623 1.00 0.00 N ATOM 2136 CA ALA A 140 3.362 2.516 -6.765 1.00 0.00 C ATOM 2137 C ALA A 140 3.518 1.458 -7.864 1.00 0.00 C ATOM 2138 O ALA A 140 3.938 1.837 -8.950 1.00 0.00 O ATOM 2139 CB ALA A 140 4.729 3.048 -6.325 1.00 0.00 C ATOM 0 H ALA A 140 3.090 2.115 -4.734 1.00 0.00 H new ATOM 0 HA ALA A 140 2.788 3.332 -7.204 1.00 0.00 H new ATOM 0 HB1 ALA A 140 5.285 3.390 -7.198 1.00 0.00 H new ATOM 0 HB2 ALA A 140 4.591 3.880 -5.634 1.00 0.00 H new ATOM 0 HB3 ALA A 140 5.286 2.253 -5.829 1.00 0.00 H new ATOM 2145 N GLU A 141 3.218 0.173 -7.653 1.00 0.00 N ATOM 2146 CA GLU A 141 3.522 -0.862 -8.632 1.00 0.00 C ATOM 2147 C GLU A 141 2.329 -1.716 -9.058 1.00 0.00 C ATOM 2148 O GLU A 141 2.196 -2.021 -10.247 1.00 0.00 O ATOM 2149 CB GLU A 141 4.636 -1.718 -8.031 1.00 0.00 C ATOM 2150 CG GLU A 141 5.978 -0.984 -8.104 1.00 0.00 C ATOM 2151 CD GLU A 141 7.078 -1.767 -7.439 1.00 0.00 C ATOM 2152 OE1 GLU A 141 7.240 -1.689 -6.202 1.00 0.00 O ATOM 2153 OE2 GLU A 141 7.848 -2.340 -8.239 1.00 0.00 O ATOM 0 H GLU A 141 2.763 -0.171 -6.808 1.00 0.00 H new ATOM 0 HA GLU A 141 3.829 -0.380 -9.560 1.00 0.00 H new ATOM 0 HB2 GLU A 141 4.401 -1.955 -6.993 1.00 0.00 H new ATOM 0 HB3 GLU A 141 4.704 -2.665 -8.566 1.00 0.00 H new ATOM 0 HG2 GLU A 141 6.238 -0.805 -9.147 1.00 0.00 H new ATOM 0 HG3 GLU A 141 5.886 -0.009 -7.626 1.00 0.00 H new ATOM 2160 N VAL A 142 1.530 -2.210 -8.111 1.00 0.00 N ATOM 2161 CA VAL A 142 0.646 -3.340 -8.363 1.00 0.00 C ATOM 2162 C VAL A 142 -0.622 -2.899 -9.086 1.00 0.00 C ATOM 2163 O VAL A 142 -0.915 -3.511 -10.140 1.00 0.00 O ATOM 2164 CB VAL A 142 0.478 -4.151 -7.058 1.00 0.00 C ATOM 2165 CG1 VAL A 142 -0.930 -4.182 -6.453 1.00 0.00 C ATOM 2166 CG2 VAL A 142 1.033 -5.558 -7.288 1.00 0.00 C ATOM 0 H VAL A 142 1.480 -1.841 -7.161 1.00 0.00 H new ATOM 0 HA VAL A 142 1.081 -4.045 -9.072 1.00 0.00 H new ATOM 0 HB VAL A 142 1.048 -3.622 -6.294 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -0.922 -4.781 -5.542 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -1.247 -3.166 -6.217 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -1.624 -4.621 -7.169 1.00 0.00 H new ATOM 0 HG21 VAL A 142 0.923 -6.146 -6.377 1.00 0.00 H new ATOM 0 HG22 VAL A 142 0.484 -6.038 -8.098 1.00 0.00 H new ATOM 0 HG23 VAL A 142 2.088 -5.494 -7.553 1.00 0.00 H new