USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 837 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 42 SER OG : rot 180:sc= 0.85 USER MOD Set 1.2: A 80 SER OG : rot -154:sc= 0.998 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.153 K(o=-0.15,f=-0.89) USER MOD Single : A 25 SER OG : rot 77:sc= 0.72 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -160:sc= 1.18 (180deg=0.799) USER MOD Single : A 57 MET CE :methyl -141:sc= -0.275 (180deg=-1.15) USER MOD Single : A 67 GLN : amide:sc= -0.207 X(o=-0.21,f=-0.23) USER MOD Single : A 71 GLN : amide:sc= -1.5! K(o=-1.5!,f=-0.38) USER MOD Single : A 79 GLN : amide:sc= -4.19! C(o=-4.2!,f=-5.3!) USER MOD Single : A 88 ASN : amide:sc= -0.016 K(o=-0.016,f=-0.63) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc=-0.00659 USER MOD Single : A 102 LYS NZ :NH3+ 136:sc= -0.0826 (180deg=-0.498) USER MOD Single : A 108 SER OG : rot 180:sc= -0.103 USER MOD Single : A 111 HIS : no HD1:sc= 1.2 K(o=1.2,f=-5!) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 122 SER OG : rot 80:sc= 0.502 USER MOD ----------------------------------------------------------------- ATOM 125 N LEU A 10 15.902 2.557 5.966 1.00 0.00 N ATOM 126 CA LEU A 10 14.570 2.061 6.277 1.00 0.00 C ATOM 127 C LEU A 10 14.050 1.275 5.077 1.00 0.00 C ATOM 128 O LEU A 10 13.464 0.202 5.222 1.00 0.00 O ATOM 129 CB LEU A 10 13.636 3.238 6.623 1.00 0.00 C ATOM 130 CG LEU A 10 12.387 2.902 7.455 1.00 0.00 C ATOM 131 CD1 LEU A 10 11.370 2.112 6.645 1.00 0.00 C ATOM 132 CD2 LEU A 10 12.775 2.134 8.711 1.00 0.00 C ATOM 0 HA LEU A 10 14.605 1.402 7.145 1.00 0.00 H new ATOM 0 HB2 LEU A 10 14.216 3.985 7.165 1.00 0.00 H new ATOM 0 HB3 LEU A 10 13.311 3.701 5.691 1.00 0.00 H new ATOM 0 HG LEU A 10 11.921 3.844 7.746 1.00 0.00 H new ATOM 0 HD11 LEU A 10 10.501 1.893 7.266 1.00 0.00 H new ATOM 0 HD12 LEU A 10 11.059 2.698 5.780 1.00 0.00 H new ATOM 0 HD13 LEU A 10 11.820 1.178 6.308 1.00 0.00 H new ATOM 0 HD21 LEU A 10 11.879 1.904 9.288 1.00 0.00 H new ATOM 0 HD22 LEU A 10 13.274 1.206 8.431 1.00 0.00 H new ATOM 0 HD23 LEU A 10 13.450 2.741 9.315 1.00 0.00 H new ATOM 144 N TRP A 11 14.307 1.808 3.888 1.00 0.00 N ATOM 145 CA TRP A 11 13.933 1.142 2.646 1.00 0.00 C ATOM 146 C TRP A 11 14.699 -0.175 2.502 1.00 0.00 C ATOM 147 O TRP A 11 14.196 -1.138 1.929 1.00 0.00 O ATOM 148 CB TRP A 11 14.216 2.058 1.448 1.00 0.00 C ATOM 149 CG TRP A 11 13.676 1.543 0.146 1.00 0.00 C ATOM 150 CD1 TRP A 11 14.299 0.689 -0.719 1.00 0.00 C ATOM 151 CD2 TRP A 11 12.410 1.860 -0.446 1.00 0.00 C ATOM 152 NE1 TRP A 11 13.494 0.446 -1.805 1.00 0.00 N ATOM 153 CE2 TRP A 11 12.332 1.157 -1.664 1.00 0.00 C ATOM 154 CE3 TRP A 11 11.334 2.669 -0.067 1.00 0.00 C ATOM 155 CZ2 TRP A 11 11.223 1.234 -2.501 1.00 0.00 C ATOM 156 CZ3 TRP A 11 10.233 2.743 -0.900 1.00 0.00 C ATOM 157 CH2 TRP A 11 10.186 2.031 -2.106 1.00 0.00 C ATOM 0 H TRP A 11 14.776 2.705 3.758 1.00 0.00 H new ATOM 0 HA TRP A 11 12.866 0.923 2.672 1.00 0.00 H new ATOM 0 HB2 TRP A 11 13.786 3.040 1.645 1.00 0.00 H new ATOM 0 HB3 TRP A 11 15.293 2.194 1.354 1.00 0.00 H new ATOM 0 HD1 TRP A 11 15.282 0.266 -0.571 1.00 0.00 H new ATOM 0 HE1 TRP A 11 13.724 -0.165 -2.589 1.00 0.00 H new ATOM 0 HE3 TRP A 11 11.363 3.225 0.858 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 11.183 0.684 -3.429 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 9.394 3.361 -0.616 1.00 0.00 H new ATOM 0 HH2 TRP A 11 9.313 2.114 -2.736 1.00 0.00 H new ATOM 168 N GLN A 12 15.914 -0.210 3.042 1.00 0.00 N ATOM 169 CA GLN A 12 16.748 -1.411 3.020 1.00 0.00 C ATOM 170 C GLN A 12 16.024 -2.593 3.668 1.00 0.00 C ATOM 171 O GLN A 12 16.213 -3.748 3.277 1.00 0.00 O ATOM 172 CB GLN A 12 18.069 -1.140 3.746 1.00 0.00 C ATOM 173 CG GLN A 12 18.957 -2.362 3.890 1.00 0.00 C ATOM 174 CD GLN A 12 20.222 -2.070 4.667 1.00 0.00 C ATOM 175 OE1 GLN A 12 20.756 -0.962 4.615 1.00 0.00 O ATOM 176 NE2 GLN A 12 20.690 -3.054 5.415 1.00 0.00 N ATOM 0 H GLN A 12 16.348 0.588 3.505 1.00 0.00 H new ATOM 0 HA GLN A 12 16.954 -1.668 1.981 1.00 0.00 H new ATOM 0 HB2 GLN A 12 18.616 -0.368 3.206 1.00 0.00 H new ATOM 0 HB3 GLN A 12 17.852 -0.743 4.738 1.00 0.00 H new ATOM 0 HG2 GLN A 12 18.401 -3.154 4.391 1.00 0.00 H new ATOM 0 HG3 GLN A 12 19.220 -2.735 2.900 1.00 0.00 H new ATOM 0 HE21 GLN A 12 20.214 -3.956 5.427 1.00 0.00 H new ATOM 0 HE22 GLN A 12 21.527 -2.911 5.980 1.00 0.00 H new ATOM 185 N ARG A 13 15.175 -2.292 4.646 1.00 0.00 N ATOM 186 CA ARG A 13 14.404 -3.315 5.342 1.00 0.00 C ATOM 187 C ARG A 13 13.471 -4.043 4.380 1.00 0.00 C ATOM 188 O ARG A 13 13.143 -5.216 4.581 1.00 0.00 O ATOM 189 CB ARG A 13 13.594 -2.689 6.476 1.00 0.00 C ATOM 190 CG ARG A 13 14.445 -2.137 7.608 1.00 0.00 C ATOM 191 CD ARG A 13 15.296 -3.224 8.244 1.00 0.00 C ATOM 192 NE ARG A 13 15.851 -2.807 9.529 1.00 0.00 N ATOM 193 CZ ARG A 13 15.513 -3.367 10.692 1.00 0.00 C ATOM 194 NH1 ARG A 13 14.648 -4.376 10.715 1.00 0.00 N ATOM 195 NH2 ARG A 13 16.043 -2.926 11.822 1.00 0.00 N ATOM 0 H ARG A 13 15.004 -1.342 4.975 1.00 0.00 H new ATOM 0 HA ARG A 13 15.104 -4.039 5.760 1.00 0.00 H new ATOM 0 HB2 ARG A 13 12.980 -1.885 6.070 1.00 0.00 H new ATOM 0 HB3 ARG A 13 12.912 -3.438 6.879 1.00 0.00 H new ATOM 0 HG2 ARG A 13 15.089 -1.345 7.227 1.00 0.00 H new ATOM 0 HG3 ARG A 13 13.801 -1.688 8.364 1.00 0.00 H new ATOM 0 HD2 ARG A 13 14.692 -4.121 8.384 1.00 0.00 H new ATOM 0 HD3 ARG A 13 16.109 -3.490 7.568 1.00 0.00 H new ATOM 0 HE ARG A 13 16.533 -2.048 9.538 1.00 0.00 H new ATOM 0 HH11 ARG A 13 14.244 -4.721 9.844 1.00 0.00 H new ATOM 0 HH12 ARG A 13 14.389 -4.805 11.603 1.00 0.00 H new ATOM 0 HH21 ARG A 13 16.712 -2.156 11.805 1.00 0.00 H new ATOM 0 HH22 ARG A 13 15.783 -3.356 12.709 1.00 0.00 H new ATOM 209 N LEU A 14 13.060 -3.345 3.331 1.00 0.00 N ATOM 210 CA LEU A 14 12.137 -3.897 2.348 1.00 0.00 C ATOM 211 C LEU A 14 12.844 -4.917 1.463 1.00 0.00 C ATOM 212 O LEU A 14 12.240 -5.869 0.973 1.00 0.00 O ATOM 213 CB LEU A 14 11.544 -2.773 1.498 1.00 0.00 C ATOM 214 CG LEU A 14 10.951 -1.608 2.296 1.00 0.00 C ATOM 215 CD1 LEU A 14 10.304 -0.599 1.363 1.00 0.00 C ATOM 216 CD2 LEU A 14 9.947 -2.115 3.320 1.00 0.00 C ATOM 0 H LEU A 14 13.354 -2.388 3.137 1.00 0.00 H new ATOM 0 HA LEU A 14 11.328 -4.404 2.874 1.00 0.00 H new ATOM 0 HB2 LEU A 14 12.322 -2.385 0.840 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.766 -3.191 0.860 1.00 0.00 H new ATOM 0 HG LEU A 14 11.760 -1.111 2.831 1.00 0.00 H new ATOM 0 HD11 LEU A 14 9.888 0.222 1.947 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.052 -0.210 0.672 1.00 0.00 H new ATOM 0 HD13 LEU A 14 9.507 -1.084 0.799 1.00 0.00 H new ATOM 0 HD21 LEU A 14 9.537 -1.272 3.876 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.139 -2.639 2.809 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.444 -2.798 4.009 1.00 0.00 H new ATOM 228 N LEU A 15 14.136 -4.712 1.271 1.00 0.00 N ATOM 229 CA LEU A 15 14.955 -5.658 0.528 1.00 0.00 C ATOM 230 C LEU A 15 15.203 -6.900 1.372 1.00 0.00 C ATOM 231 O LEU A 15 15.423 -7.992 0.846 1.00 0.00 O ATOM 232 CB LEU A 15 16.294 -5.032 0.123 1.00 0.00 C ATOM 233 CG LEU A 15 16.243 -4.021 -1.035 1.00 0.00 C ATOM 234 CD1 LEU A 15 15.523 -2.745 -0.629 1.00 0.00 C ATOM 235 CD2 LEU A 15 17.650 -3.705 -1.522 1.00 0.00 C ATOM 0 H LEU A 15 14.642 -3.898 1.619 1.00 0.00 H new ATOM 0 HA LEU A 15 14.418 -5.933 -0.380 1.00 0.00 H new ATOM 0 HB2 LEU A 15 16.718 -4.534 0.995 1.00 0.00 H new ATOM 0 HB3 LEU A 15 16.979 -5.834 -0.151 1.00 0.00 H new ATOM 0 HG LEU A 15 15.679 -4.475 -1.850 1.00 0.00 H new ATOM 0 HD11 LEU A 15 15.506 -2.053 -1.471 1.00 0.00 H new ATOM 0 HD12 LEU A 15 14.501 -2.982 -0.333 1.00 0.00 H new ATOM 0 HD13 LEU A 15 16.045 -2.283 0.209 1.00 0.00 H new ATOM 0 HD21 LEU A 15 17.599 -2.988 -2.342 1.00 0.00 H new ATOM 0 HD22 LEU A 15 18.231 -3.280 -0.704 1.00 0.00 H new ATOM 0 HD23 LEU A 15 18.129 -4.620 -1.870 1.00 0.00 H new ATOM 247 N THR A 16 15.157 -6.720 2.689 1.00 0.00 N ATOM 248 CA THR A 16 15.388 -7.811 3.621 1.00 0.00 C ATOM 249 C THR A 16 14.296 -8.875 3.498 1.00 0.00 C ATOM 250 O THR A 16 14.596 -10.060 3.353 1.00 0.00 O ATOM 251 CB THR A 16 15.453 -7.295 5.073 1.00 0.00 C ATOM 252 OG1 THR A 16 16.378 -6.200 5.155 1.00 0.00 O ATOM 253 CG2 THR A 16 15.894 -8.397 6.027 1.00 0.00 C ATOM 0 H THR A 16 14.961 -5.823 3.133 1.00 0.00 H new ATOM 0 HA THR A 16 16.348 -8.261 3.367 1.00 0.00 H new ATOM 0 HB THR A 16 14.455 -6.964 5.362 1.00 0.00 H new ATOM 0 HG1 THR A 16 16.416 -5.873 6.078 1.00 0.00 H new ATOM 0 HG21 THR A 16 15.931 -8.005 7.043 1.00 0.00 H new ATOM 0 HG22 THR A 16 15.184 -9.223 5.982 1.00 0.00 H new ATOM 0 HG23 THR A 16 16.883 -8.753 5.739 1.00 0.00 H new ATOM 261 N ARG A 17 13.032 -8.448 3.549 1.00 0.00 N ATOM 262 CA ARG A 17 11.902 -9.371 3.403 1.00 0.00 C ATOM 263 C ARG A 17 10.563 -8.638 3.453 1.00 0.00 C ATOM 264 O ARG A 17 9.606 -9.050 2.800 1.00 0.00 O ATOM 265 CB ARG A 17 11.925 -10.467 4.481 1.00 0.00 C ATOM 266 CG ARG A 17 11.838 -9.946 5.906 1.00 0.00 C ATOM 267 CD ARG A 17 11.771 -11.083 6.913 1.00 0.00 C ATOM 268 NE ARG A 17 12.971 -11.918 6.879 1.00 0.00 N ATOM 269 CZ ARG A 17 13.203 -12.917 7.730 1.00 0.00 C ATOM 270 NH1 ARG A 17 12.291 -13.245 8.635 1.00 0.00 N ATOM 271 NH2 ARG A 17 14.337 -13.601 7.649 1.00 0.00 N ATOM 0 H ARG A 17 12.765 -7.474 3.690 1.00 0.00 H new ATOM 0 HA ARG A 17 12.009 -9.837 2.423 1.00 0.00 H new ATOM 0 HB2 ARG A 17 11.094 -11.150 4.305 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.842 -11.046 4.374 1.00 0.00 H new ATOM 0 HG2 ARG A 17 12.705 -9.321 6.119 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.956 -9.314 6.010 1.00 0.00 H new ATOM 0 HD2 ARG A 17 11.643 -10.673 7.915 1.00 0.00 H new ATOM 0 HD3 ARG A 17 10.895 -11.699 6.707 1.00 0.00 H new ATOM 0 HE ARG A 17 13.671 -11.725 6.163 1.00 0.00 H new ATOM 0 HH11 ARG A 17 11.410 -12.732 8.681 1.00 0.00 H new ATOM 0 HH12 ARG A 17 12.470 -14.010 9.286 1.00 0.00 H new ATOM 0 HH21 ARG A 17 15.027 -13.361 6.937 1.00 0.00 H new ATOM 0 HH22 ARG A 17 14.518 -14.366 8.298 1.00 0.00 H new ATOM 285 N GLY A 18 10.494 -7.557 4.226 1.00 0.00 N ATOM 286 CA GLY A 18 9.241 -6.837 4.384 1.00 0.00 C ATOM 287 C GLY A 18 8.845 -6.081 3.133 1.00 0.00 C ATOM 288 O GLY A 18 9.668 -5.380 2.555 1.00 0.00 O ATOM 0 H GLY A 18 11.281 -7.167 4.745 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.451 -7.542 4.644 1.00 0.00 H new ATOM 0 HA3 GLY A 18 9.330 -6.137 5.215 1.00 0.00 H new ATOM 292 N TRP A 19 7.585 -6.228 2.718 1.00 0.00 N ATOM 293 CA TRP A 19 7.074 -5.570 1.513 1.00 0.00 C ATOM 294 C TRP A 19 7.809 -6.040 0.260 1.00 0.00 C ATOM 295 O TRP A 19 8.577 -7.004 0.290 1.00 0.00 O ATOM 296 CB TRP A 19 7.182 -4.046 1.631 1.00 0.00 C ATOM 297 CG TRP A 19 6.116 -3.420 2.480 1.00 0.00 C ATOM 298 CD1 TRP A 19 5.011 -4.028 3.002 1.00 0.00 C ATOM 299 CD2 TRP A 19 6.048 -2.049 2.883 1.00 0.00 C ATOM 300 NE1 TRP A 19 4.257 -3.115 3.699 1.00 0.00 N ATOM 301 CE2 TRP A 19 4.873 -1.894 3.641 1.00 0.00 C ATOM 302 CE3 TRP A 19 6.867 -0.938 2.675 1.00 0.00 C ATOM 303 CZ2 TRP A 19 4.500 -0.667 4.188 1.00 0.00 C ATOM 304 CZ3 TRP A 19 6.496 0.276 3.216 1.00 0.00 C ATOM 305 CH2 TRP A 19 5.323 0.403 3.963 1.00 0.00 C ATOM 0 H TRP A 19 6.895 -6.802 3.203 1.00 0.00 H new ATOM 0 HA TRP A 19 6.024 -5.847 1.421 1.00 0.00 H new ATOM 0 HB2 TRP A 19 8.157 -3.793 2.046 1.00 0.00 H new ATOM 0 HB3 TRP A 19 7.138 -3.611 0.632 1.00 0.00 H new ATOM 0 HD1 TRP A 19 4.765 -5.073 2.884 1.00 0.00 H new ATOM 0 HE1 TRP A 19 3.381 -3.315 4.181 1.00 0.00 H new ATOM 0 HE3 TRP A 19 7.777 -1.027 2.100 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 3.595 -0.565 4.768 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 7.123 1.142 3.059 1.00 0.00 H new ATOM 0 HH2 TRP A 19 5.059 1.367 4.372 1.00 0.00 H new ATOM 316 N GLN A 20 7.516 -5.374 -0.847 1.00 0.00 N ATOM 317 CA GLN A 20 8.179 -5.615 -2.107 1.00 0.00 C ATOM 318 C GLN A 20 8.229 -4.323 -2.913 1.00 0.00 C ATOM 319 O GLN A 20 7.210 -3.653 -3.077 1.00 0.00 O ATOM 320 CB GLN A 20 7.431 -6.693 -2.887 1.00 0.00 C ATOM 321 CG GLN A 20 7.953 -8.103 -2.648 1.00 0.00 C ATOM 322 CD GLN A 20 9.351 -8.313 -3.202 1.00 0.00 C ATOM 323 OE1 GLN A 20 9.736 -7.704 -4.201 1.00 0.00 O ATOM 324 NE2 GLN A 20 10.126 -9.166 -2.550 1.00 0.00 N ATOM 0 H GLN A 20 6.804 -4.645 -0.890 1.00 0.00 H new ATOM 0 HA GLN A 20 9.197 -5.958 -1.921 1.00 0.00 H new ATOM 0 HB2 GLN A 20 6.376 -6.656 -2.617 1.00 0.00 H new ATOM 0 HB3 GLN A 20 7.496 -6.468 -3.952 1.00 0.00 H new ATOM 0 HG2 GLN A 20 7.956 -8.308 -1.577 1.00 0.00 H new ATOM 0 HG3 GLN A 20 7.273 -8.820 -3.108 1.00 0.00 H new ATOM 0 HE21 GLN A 20 9.770 -9.651 -1.726 1.00 0.00 H new ATOM 0 HE22 GLN A 20 11.079 -9.338 -2.871 1.00 0.00 H new ATOM 333 N PRO A 21 9.414 -3.931 -3.394 1.00 0.00 N ATOM 334 CA PRO A 21 9.573 -2.746 -4.226 1.00 0.00 C ATOM 335 C PRO A 21 9.219 -3.031 -5.682 1.00 0.00 C ATOM 336 O PRO A 21 9.949 -3.732 -6.388 1.00 0.00 O ATOM 337 CB PRO A 21 11.062 -2.388 -4.081 1.00 0.00 C ATOM 338 CG PRO A 21 11.669 -3.445 -3.204 1.00 0.00 C ATOM 339 CD PRO A 21 10.698 -4.592 -3.164 1.00 0.00 C ATOM 0 HA PRO A 21 8.911 -1.935 -3.921 1.00 0.00 H new ATOM 0 HB2 PRO A 21 11.552 -2.363 -5.054 1.00 0.00 H new ATOM 0 HB3 PRO A 21 11.182 -1.399 -3.638 1.00 0.00 H new ATOM 0 HG2 PRO A 21 12.632 -3.768 -3.599 1.00 0.00 H new ATOM 0 HG3 PRO A 21 11.850 -3.057 -2.201 1.00 0.00 H new ATOM 0 HD2 PRO A 21 10.915 -5.334 -3.932 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.721 -5.110 -2.205 1.00 0.00 H new ATOM 347 N VAL A 22 8.086 -2.501 -6.123 1.00 0.00 N ATOM 348 CA VAL A 22 7.618 -2.739 -7.478 1.00 0.00 C ATOM 349 C VAL A 22 8.097 -1.653 -8.430 1.00 0.00 C ATOM 350 O VAL A 22 8.880 -0.776 -8.050 1.00 0.00 O ATOM 351 CB VAL A 22 6.081 -2.851 -7.555 1.00 0.00 C ATOM 352 CG1 VAL A 22 5.622 -4.191 -7.006 1.00 0.00 C ATOM 353 CG2 VAL A 22 5.412 -1.698 -6.815 1.00 0.00 C ATOM 0 H VAL A 22 7.477 -1.905 -5.562 1.00 0.00 H new ATOM 0 HA VAL A 22 8.044 -3.695 -7.783 1.00 0.00 H new ATOM 0 HB VAL A 22 5.783 -2.789 -8.602 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.536 -4.256 -7.067 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.067 -4.996 -7.591 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.934 -4.284 -5.966 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.329 -1.801 -6.885 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.712 -1.716 -5.767 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.716 -0.752 -7.264 1.00 0.00 H new ATOM 363 N GLU A 23 7.605 -1.704 -9.656 1.00 0.00 N ATOM 364 CA GLU A 23 8.084 -0.842 -10.715 1.00 0.00 C ATOM 365 C GLU A 23 6.901 -0.239 -11.466 1.00 0.00 C ATOM 366 O GLU A 23 5.746 -0.532 -11.156 1.00 0.00 O ATOM 367 CB GLU A 23 8.972 -1.660 -11.656 1.00 0.00 C ATOM 368 CG GLU A 23 9.948 -0.854 -12.486 1.00 0.00 C ATOM 369 CD GLU A 23 9.522 -0.762 -13.928 1.00 0.00 C ATOM 370 OE1 GLU A 23 9.279 -1.817 -14.542 1.00 0.00 O ATOM 371 OE2 GLU A 23 9.376 0.366 -14.440 1.00 0.00 O ATOM 0 H GLU A 23 6.864 -2.344 -9.942 1.00 0.00 H new ATOM 0 HA GLU A 23 8.670 -0.024 -10.297 1.00 0.00 H new ATOM 0 HB2 GLU A 23 9.534 -2.382 -11.063 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.332 -2.230 -12.329 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.036 0.149 -12.069 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.936 -1.311 -12.428 1.00 0.00 H new ATOM 378 N ALA A 24 7.199 0.580 -12.458 1.00 0.00 N ATOM 379 CA ALA A 24 6.171 1.290 -13.211 1.00 0.00 C ATOM 380 C ALA A 24 5.802 0.541 -14.489 1.00 0.00 C ATOM 381 O ALA A 24 4.660 0.595 -14.942 1.00 0.00 O ATOM 382 CB ALA A 24 6.635 2.701 -13.542 1.00 0.00 C ATOM 0 H ALA A 24 8.152 0.774 -12.766 1.00 0.00 H new ATOM 0 HA ALA A 24 5.280 1.348 -12.586 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.857 3.217 -14.104 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.837 3.244 -12.618 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.544 2.654 -14.141 1.00 0.00 H new ATOM 388 N SER A 25 6.770 -0.147 -15.068 1.00 0.00 N ATOM 389 CA SER A 25 6.546 -0.894 -16.297 1.00 0.00 C ATOM 390 C SER A 25 6.120 -2.330 -15.997 1.00 0.00 C ATOM 391 O SER A 25 5.275 -2.894 -16.689 1.00 0.00 O ATOM 392 CB SER A 25 7.825 -0.892 -17.133 1.00 0.00 C ATOM 393 OG SER A 25 8.415 0.397 -17.145 1.00 0.00 O ATOM 0 H SER A 25 7.722 -0.205 -14.707 1.00 0.00 H new ATOM 0 HA SER A 25 5.742 -0.414 -16.854 1.00 0.00 H new ATOM 0 HB2 SER A 25 8.531 -1.617 -16.728 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.599 -1.203 -18.153 1.00 0.00 H new ATOM 0 HG SER A 25 8.869 0.557 -16.291 1.00 0.00 H new ATOM 399 N THR A 26 6.705 -2.918 -14.960 1.00 0.00 N ATOM 400 CA THR A 26 6.420 -4.305 -14.607 1.00 0.00 C ATOM 401 C THR A 26 5.027 -4.452 -13.988 1.00 0.00 C ATOM 402 O THR A 26 4.546 -5.566 -13.777 1.00 0.00 O ATOM 403 CB THR A 26 7.491 -4.851 -13.633 1.00 0.00 C ATOM 404 OG1 THR A 26 7.632 -6.267 -13.779 1.00 0.00 O ATOM 405 CG2 THR A 26 7.148 -4.533 -12.183 1.00 0.00 C ATOM 0 H THR A 26 7.379 -2.457 -14.349 1.00 0.00 H new ATOM 0 HA THR A 26 6.446 -4.888 -15.528 1.00 0.00 H new ATOM 0 HB THR A 26 8.431 -4.360 -13.886 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.314 -6.594 -13.156 1.00 0.00 H new ATOM 0 HG21 THR A 26 7.924 -4.933 -11.530 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.085 -3.453 -12.053 1.00 0.00 H new ATOM 0 HG23 THR A 26 6.190 -4.986 -11.928 1.00 0.00 H new ATOM 413 N VAL A 27 4.375 -3.321 -13.728 1.00 0.00 N ATOM 414 CA VAL A 27 3.078 -3.315 -13.060 1.00 0.00 C ATOM 415 C VAL A 27 2.041 -4.120 -13.847 1.00 0.00 C ATOM 416 O VAL A 27 1.189 -4.784 -13.254 1.00 0.00 O ATOM 417 CB VAL A 27 2.565 -1.870 -12.822 1.00 0.00 C ATOM 418 CG1 VAL A 27 2.240 -1.168 -14.135 1.00 0.00 C ATOM 419 CG2 VAL A 27 1.355 -1.872 -11.911 1.00 0.00 C ATOM 0 H VAL A 27 4.726 -2.395 -13.971 1.00 0.00 H new ATOM 0 HA VAL A 27 3.219 -3.791 -12.089 1.00 0.00 H new ATOM 0 HB VAL A 27 3.367 -1.315 -12.335 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.884 -0.159 -13.929 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.137 -1.118 -14.752 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.467 -1.725 -14.664 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.013 -0.848 -11.758 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.557 -2.457 -12.368 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.623 -2.312 -10.950 1.00 0.00 H new ATOM 429 N ASP A 28 2.135 -4.084 -15.177 1.00 0.00 N ATOM 430 CA ASP A 28 1.199 -4.817 -16.033 1.00 0.00 C ATOM 431 C ASP A 28 1.253 -6.302 -15.737 1.00 0.00 C ATOM 432 O ASP A 28 0.235 -6.928 -15.443 1.00 0.00 O ATOM 433 CB ASP A 28 1.523 -4.616 -17.518 1.00 0.00 C ATOM 434 CG ASP A 28 1.315 -3.200 -18.003 1.00 0.00 C ATOM 435 OD1 ASP A 28 2.278 -2.403 -17.949 1.00 0.00 O ATOM 436 OD2 ASP A 28 0.204 -2.887 -18.476 1.00 0.00 O ATOM 0 H ASP A 28 2.847 -3.558 -15.684 1.00 0.00 H new ATOM 0 HA ASP A 28 0.204 -4.425 -15.821 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.560 -4.902 -17.696 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.901 -5.288 -18.110 1.00 0.00 H new ATOM 441 N ASP A 29 2.457 -6.852 -15.799 1.00 0.00 N ATOM 442 CA ASP A 29 2.645 -8.281 -15.636 1.00 0.00 C ATOM 443 C ASP A 29 2.401 -8.699 -14.197 1.00 0.00 C ATOM 444 O ASP A 29 1.824 -9.753 -13.940 1.00 0.00 O ATOM 445 CB ASP A 29 4.051 -8.693 -16.062 1.00 0.00 C ATOM 446 CG ASP A 29 4.235 -10.194 -16.018 1.00 0.00 C ATOM 447 OD1 ASP A 29 3.559 -10.900 -16.793 1.00 0.00 O ATOM 448 OD2 ASP A 29 5.061 -10.675 -15.216 1.00 0.00 O ATOM 0 H ASP A 29 3.317 -6.328 -15.961 1.00 0.00 H new ATOM 0 HA ASP A 29 1.920 -8.786 -16.275 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.245 -8.333 -17.072 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.783 -8.218 -15.408 1.00 0.00 H new ATOM 453 N TRP A 30 2.832 -7.859 -13.264 1.00 0.00 N ATOM 454 CA TRP A 30 2.672 -8.147 -11.845 1.00 0.00 C ATOM 455 C TRP A 30 1.192 -8.269 -11.486 1.00 0.00 C ATOM 456 O TRP A 30 0.769 -9.275 -10.913 1.00 0.00 O ATOM 457 CB TRP A 30 3.339 -7.061 -10.992 1.00 0.00 C ATOM 458 CG TRP A 30 3.534 -7.466 -9.561 1.00 0.00 C ATOM 459 CD1 TRP A 30 4.513 -8.281 -9.072 1.00 0.00 C ATOM 460 CD2 TRP A 30 2.737 -7.076 -8.435 1.00 0.00 C ATOM 461 NE1 TRP A 30 4.375 -8.424 -7.713 1.00 0.00 N ATOM 462 CE2 TRP A 30 3.292 -7.693 -7.299 1.00 0.00 C ATOM 463 CE3 TRP A 30 1.612 -6.265 -8.277 1.00 0.00 C ATOM 464 CZ2 TRP A 30 2.758 -7.526 -6.024 1.00 0.00 C ATOM 465 CZ3 TRP A 30 1.083 -6.100 -7.010 1.00 0.00 C ATOM 466 CH2 TRP A 30 1.657 -6.726 -5.899 1.00 0.00 C ATOM 0 H TRP A 30 3.295 -6.973 -13.465 1.00 0.00 H new ATOM 0 HA TRP A 30 3.160 -9.098 -11.634 1.00 0.00 H new ATOM 0 HB2 TRP A 30 4.307 -6.811 -11.427 1.00 0.00 H new ATOM 0 HB3 TRP A 30 2.731 -6.157 -11.027 1.00 0.00 H new ATOM 0 HD1 TRP A 30 5.285 -8.746 -9.667 1.00 0.00 H new ATOM 0 HE1 TRP A 30 4.979 -8.983 -7.111 1.00 0.00 H new ATOM 0 HE3 TRP A 30 1.163 -5.775 -9.129 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 3.198 -8.011 -5.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 0.211 -5.477 -6.876 1.00 0.00 H new ATOM 0 HH2 TRP A 30 1.221 -6.574 -4.922 1.00 0.00 H new ATOM 477 N ILE A 31 0.405 -7.260 -11.856 1.00 0.00 N ATOM 478 CA ILE A 31 -1.022 -7.254 -11.544 1.00 0.00 C ATOM 479 C ILE A 31 -1.730 -8.415 -12.233 1.00 0.00 C ATOM 480 O ILE A 31 -2.563 -9.091 -11.634 1.00 0.00 O ATOM 481 CB ILE A 31 -1.693 -5.924 -11.961 1.00 0.00 C ATOM 482 CG1 ILE A 31 -1.089 -4.755 -11.179 1.00 0.00 C ATOM 483 CG2 ILE A 31 -3.202 -5.981 -11.747 1.00 0.00 C ATOM 484 CD1 ILE A 31 -1.177 -4.915 -9.678 1.00 0.00 C ATOM 0 H ILE A 31 0.730 -6.441 -12.369 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.113 -7.363 -10.463 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.507 -5.770 -13.024 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.043 -4.643 -11.462 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.598 -3.835 -11.468 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.648 -5.033 -12.048 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.624 -6.788 -12.346 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.413 -6.163 -10.693 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.729 -4.048 -9.193 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.223 -4.996 -9.381 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.643 -5.816 -9.376 1.00 0.00 H new ATOM 496 N LYS A 32 -1.375 -8.650 -13.485 1.00 0.00 N ATOM 497 CA LYS A 32 -1.965 -9.731 -14.263 1.00 0.00 C ATOM 498 C LYS A 32 -1.591 -11.097 -13.683 1.00 0.00 C ATOM 499 O LYS A 32 -2.379 -12.045 -13.743 1.00 0.00 O ATOM 500 CB LYS A 32 -1.511 -9.594 -15.725 1.00 0.00 C ATOM 501 CG LYS A 32 -1.964 -10.707 -16.668 1.00 0.00 C ATOM 502 CD LYS A 32 -0.984 -11.877 -16.696 1.00 0.00 C ATOM 503 CE LYS A 32 0.425 -11.428 -17.061 1.00 0.00 C ATOM 504 NZ LYS A 32 1.376 -12.567 -17.123 1.00 0.00 N ATOM 0 H LYS A 32 -0.676 -8.104 -13.989 1.00 0.00 H new ATOM 0 HA LYS A 32 -3.052 -9.660 -14.219 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.878 -8.643 -16.112 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.422 -9.547 -15.745 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -2.946 -11.065 -16.358 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -2.075 -10.304 -17.675 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.969 -12.362 -15.720 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -1.326 -12.620 -17.416 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.405 -10.920 -18.025 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.776 -10.703 -16.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.349 -12.212 -17.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.177 -13.228 -16.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.268 -13.060 -18.032 1.00 0.00 H new ATOM 518 N ARG A 33 -0.403 -11.191 -13.103 1.00 0.00 N ATOM 519 CA ARG A 33 0.101 -12.465 -12.608 1.00 0.00 C ATOM 520 C ARG A 33 -0.579 -12.847 -11.306 1.00 0.00 C ATOM 521 O ARG A 33 -1.037 -13.976 -11.138 1.00 0.00 O ATOM 522 CB ARG A 33 1.604 -12.380 -12.367 1.00 0.00 C ATOM 523 CG ARG A 33 2.268 -13.737 -12.189 1.00 0.00 C ATOM 524 CD ARG A 33 3.743 -13.609 -11.854 1.00 0.00 C ATOM 525 NE ARG A 33 4.511 -12.983 -12.927 1.00 0.00 N ATOM 526 CZ ARG A 33 5.696 -13.426 -13.349 1.00 0.00 C ATOM 527 NH1 ARG A 33 6.220 -14.541 -12.848 1.00 0.00 N ATOM 528 NH2 ARG A 33 6.354 -12.764 -14.284 1.00 0.00 N ATOM 0 H ARG A 33 0.229 -10.403 -12.964 1.00 0.00 H new ATOM 0 HA ARG A 33 -0.113 -13.222 -13.362 1.00 0.00 H new ATOM 0 HB2 ARG A 33 2.070 -11.864 -13.206 1.00 0.00 H new ATOM 0 HB3 ARG A 33 1.788 -11.775 -11.479 1.00 0.00 H new ATOM 0 HG2 ARG A 33 1.762 -14.287 -11.395 1.00 0.00 H new ATOM 0 HG3 ARG A 33 2.153 -14.320 -13.103 1.00 0.00 H new ATOM 0 HD2 ARG A 33 3.855 -13.022 -10.942 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.152 -14.598 -11.649 1.00 0.00 H new ATOM 0 HE ARG A 33 4.118 -12.158 -13.380 1.00 0.00 H new ATOM 0 HH11 ARG A 33 5.715 -15.066 -12.134 1.00 0.00 H new ATOM 0 HH12 ARG A 33 7.127 -14.871 -13.178 1.00 0.00 H new ATOM 0 HH21 ARG A 33 5.956 -11.914 -14.683 1.00 0.00 H new ATOM 0 HH22 ARG A 33 7.260 -13.103 -14.607 1.00 0.00 H new ATOM 542 N VAL A 34 -0.656 -11.893 -10.396 1.00 0.00 N ATOM 543 CA VAL A 34 -1.252 -12.142 -9.088 1.00 0.00 C ATOM 544 C VAL A 34 -2.770 -11.965 -9.124 1.00 0.00 C ATOM 545 O VAL A 34 -3.516 -12.865 -8.739 1.00 0.00 O ATOM 546 CB VAL A 34 -0.625 -11.251 -7.982 1.00 0.00 C ATOM 547 CG1 VAL A 34 0.830 -11.630 -7.759 1.00 0.00 C ATOM 548 CG2 VAL A 34 -0.734 -9.769 -8.318 1.00 0.00 C ATOM 0 H VAL A 34 -0.316 -10.941 -10.534 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.034 -13.180 -8.837 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.187 -11.425 -7.065 1.00 0.00 H new ATOM 0 HG11 VAL A 34 1.256 -10.997 -6.981 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.891 -12.674 -7.451 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.388 -11.492 -8.685 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.283 -9.181 -7.519 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.213 -9.569 -9.254 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.784 -9.496 -8.422 1.00 0.00 H new ATOM 558 N GLY A 35 -3.226 -10.830 -9.626 1.00 0.00 N ATOM 559 CA GLY A 35 -4.647 -10.541 -9.659 1.00 0.00 C ATOM 560 C GLY A 35 -5.098 -9.789 -8.425 1.00 0.00 C ATOM 561 O GLY A 35 -6.093 -9.061 -8.457 1.00 0.00 O ATOM 0 H GLY A 35 -2.634 -10.096 -10.015 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.877 -9.953 -10.547 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.206 -11.473 -9.740 1.00 0.00 H new ATOM 565 N ASP A 36 -4.361 -9.977 -7.341 1.00 0.00 N ATOM 566 CA ASP A 36 -4.642 -9.321 -6.077 1.00 0.00 C ATOM 567 C ASP A 36 -3.381 -8.645 -5.546 1.00 0.00 C ATOM 568 O ASP A 36 -2.284 -9.192 -5.653 1.00 0.00 O ATOM 569 CB ASP A 36 -5.159 -10.344 -5.057 1.00 0.00 C ATOM 570 CG ASP A 36 -4.253 -11.560 -4.929 1.00 0.00 C ATOM 571 OD1 ASP A 36 -4.412 -12.511 -5.721 1.00 0.00 O ATOM 572 OD2 ASP A 36 -3.377 -11.574 -4.040 1.00 0.00 O ATOM 0 H ASP A 36 -3.548 -10.592 -7.315 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.408 -8.563 -6.236 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.254 -9.863 -4.083 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.157 -10.670 -5.350 1.00 0.00 H new ATOM 577 N GLY A 37 -3.529 -7.452 -4.999 1.00 0.00 N ATOM 578 CA GLY A 37 -2.391 -6.753 -4.438 1.00 0.00 C ATOM 579 C GLY A 37 -2.607 -5.259 -4.369 1.00 0.00 C ATOM 580 O GLY A 37 -3.589 -4.741 -4.899 1.00 0.00 O ATOM 0 H GLY A 37 -4.416 -6.953 -4.932 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.192 -7.135 -3.437 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.507 -6.962 -5.041 1.00 0.00 H new ATOM 584 N VAL A 38 -1.693 -4.565 -3.703 1.00 0.00 N ATOM 585 CA VAL A 38 -1.769 -3.116 -3.575 1.00 0.00 C ATOM 586 C VAL A 38 -0.415 -2.469 -3.856 1.00 0.00 C ATOM 587 O VAL A 38 0.625 -2.954 -3.405 1.00 0.00 O ATOM 588 CB VAL A 38 -2.257 -2.687 -2.168 1.00 0.00 C ATOM 589 CG1 VAL A 38 -3.695 -3.122 -1.939 1.00 0.00 C ATOM 590 CG2 VAL A 38 -1.360 -3.258 -1.080 1.00 0.00 C ATOM 0 H VAL A 38 -0.887 -4.985 -3.241 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.494 -2.774 -4.314 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.209 -1.599 -2.119 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -4.016 -2.810 -0.945 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.338 -2.662 -2.689 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.764 -4.207 -2.019 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.726 -2.941 -0.103 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.369 -4.347 -1.135 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.342 -2.896 -1.221 1.00 0.00 H new ATOM 600 N ILE A 39 -0.435 -1.386 -4.624 1.00 0.00 N ATOM 601 CA ILE A 39 0.771 -0.608 -4.892 1.00 0.00 C ATOM 602 C ILE A 39 0.715 0.711 -4.119 1.00 0.00 C ATOM 603 O ILE A 39 -0.259 1.464 -4.225 1.00 0.00 O ATOM 604 CB ILE A 39 0.976 -0.306 -6.413 1.00 0.00 C ATOM 605 CG1 ILE A 39 1.430 -1.549 -7.199 1.00 0.00 C ATOM 606 CG2 ILE A 39 1.987 0.818 -6.609 1.00 0.00 C ATOM 607 CD1 ILE A 39 0.352 -2.593 -7.383 1.00 0.00 C ATOM 0 H ILE A 39 -1.276 -1.025 -5.074 1.00 0.00 H new ATOM 0 HA ILE A 39 1.617 -1.212 -4.564 1.00 0.00 H new ATOM 0 HB ILE A 39 0.006 0.003 -6.804 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.787 -1.235 -8.180 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.276 -2.003 -6.682 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.114 1.011 -7.674 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.627 1.721 -6.117 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.944 0.526 -6.176 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.754 -3.435 -7.946 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.010 -2.939 -6.407 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.486 -2.159 -7.928 1.00 0.00 H new ATOM 619 N LEU A 40 1.737 0.961 -3.313 1.00 0.00 N ATOM 620 CA LEU A 40 1.860 2.223 -2.593 1.00 0.00 C ATOM 621 C LEU A 40 2.480 3.270 -3.512 1.00 0.00 C ATOM 622 O LEU A 40 3.587 3.081 -4.020 1.00 0.00 O ATOM 623 CB LEU A 40 2.736 2.036 -1.349 1.00 0.00 C ATOM 624 CG LEU A 40 2.400 2.917 -0.135 1.00 0.00 C ATOM 625 CD1 LEU A 40 3.436 2.718 0.957 1.00 0.00 C ATOM 626 CD2 LEU A 40 2.312 4.390 -0.507 1.00 0.00 C ATOM 0 H LEU A 40 2.497 0.304 -3.140 1.00 0.00 H new ATOM 0 HA LEU A 40 0.871 2.556 -2.278 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.673 0.992 -1.041 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.772 2.223 -1.630 1.00 0.00 H new ATOM 0 HG LEU A 40 1.420 2.610 0.231 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.188 3.347 1.812 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.444 1.673 1.265 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.421 2.992 0.578 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.073 4.976 0.381 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.268 4.720 -0.913 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.532 4.530 -1.255 1.00 0.00 H new ATOM 638 N LEU A 41 1.765 4.363 -3.729 1.00 0.00 N ATOM 639 CA LEU A 41 2.274 5.449 -4.551 1.00 0.00 C ATOM 640 C LEU A 41 3.062 6.432 -3.700 1.00 0.00 C ATOM 641 O LEU A 41 2.506 7.064 -2.797 1.00 0.00 O ATOM 642 CB LEU A 41 1.133 6.177 -5.274 1.00 0.00 C ATOM 643 CG LEU A 41 0.653 5.529 -6.579 1.00 0.00 C ATOM 644 CD1 LEU A 41 0.083 4.141 -6.322 1.00 0.00 C ATOM 645 CD2 LEU A 41 -0.383 6.413 -7.261 1.00 0.00 C ATOM 0 H LEU A 41 0.832 4.521 -3.348 1.00 0.00 H new ATOM 0 HA LEU A 41 2.936 5.019 -5.303 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.285 6.251 -4.593 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.457 7.195 -5.493 1.00 0.00 H new ATOM 0 HG LEU A 41 1.512 5.424 -7.241 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.250 3.704 -7.264 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.852 3.508 -5.880 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.762 4.216 -5.638 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.714 5.939 -8.185 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.237 6.550 -6.598 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.059 7.383 -7.488 1.00 0.00 H new ATOM 657 N SER A 42 4.357 6.543 -3.994 1.00 0.00 N ATOM 658 CA SER A 42 5.247 7.456 -3.285 1.00 0.00 C ATOM 659 C SER A 42 5.402 7.071 -1.814 1.00 0.00 C ATOM 660 O SER A 42 5.017 5.981 -1.390 1.00 0.00 O ATOM 661 CB SER A 42 4.728 8.896 -3.391 1.00 0.00 C ATOM 662 OG SER A 42 4.703 9.347 -4.733 1.00 0.00 O ATOM 0 H SER A 42 4.816 6.004 -4.728 1.00 0.00 H new ATOM 0 HA SER A 42 6.227 7.386 -3.756 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.724 8.953 -2.969 1.00 0.00 H new ATOM 0 HB3 SER A 42 5.361 9.555 -2.797 1.00 0.00 H new ATOM 0 HG SER A 42 4.366 10.267 -4.763 1.00 0.00 H new ATOM 863 N VAL A 56 5.555 4.038 7.079 1.00 0.00 N ATOM 864 CA VAL A 56 4.775 3.271 8.039 1.00 0.00 C ATOM 865 C VAL A 56 3.379 3.860 8.209 1.00 0.00 C ATOM 866 O VAL A 56 3.197 4.925 8.798 1.00 0.00 O ATOM 867 CB VAL A 56 5.476 3.156 9.410 1.00 0.00 C ATOM 868 CG1 VAL A 56 6.669 2.218 9.314 1.00 0.00 C ATOM 869 CG2 VAL A 56 5.914 4.520 9.926 1.00 0.00 C ATOM 0 HA VAL A 56 4.686 2.264 7.631 1.00 0.00 H new ATOM 0 HB VAL A 56 4.758 2.746 10.121 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.154 2.146 10.287 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.331 1.230 9.003 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.378 2.605 8.583 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.404 4.403 10.893 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.610 4.970 9.218 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.042 5.164 10.037 1.00 0.00 H new ATOM 879 N MET A 57 2.405 3.147 7.659 1.00 0.00 N ATOM 880 CA MET A 57 1.005 3.565 7.660 1.00 0.00 C ATOM 881 C MET A 57 0.195 2.598 6.808 1.00 0.00 C ATOM 882 O MET A 57 -0.862 2.120 7.213 1.00 0.00 O ATOM 883 CB MET A 57 0.856 4.988 7.107 1.00 0.00 C ATOM 884 CG MET A 57 -0.563 5.530 7.169 1.00 0.00 C ATOM 885 SD MET A 57 -0.654 7.272 6.696 1.00 0.00 S ATOM 886 CE MET A 57 0.403 8.014 7.939 1.00 0.00 C ATOM 0 H MET A 57 2.564 2.253 7.194 1.00 0.00 H new ATOM 0 HA MET A 57 0.638 3.558 8.686 1.00 0.00 H new ATOM 0 HB2 MET A 57 1.513 5.654 7.665 1.00 0.00 H new ATOM 0 HB3 MET A 57 1.194 5.001 6.071 1.00 0.00 H new ATOM 0 HG2 MET A 57 -1.203 4.943 6.510 1.00 0.00 H new ATOM 0 HG3 MET A 57 -0.952 5.410 8.180 1.00 0.00 H new ATOM 0 HE1 MET A 57 -0.025 8.964 8.261 1.00 0.00 H new ATOM 0 HE2 MET A 57 0.484 7.344 8.795 1.00 0.00 H new ATOM 0 HE3 MET A 57 1.394 8.186 7.518 1.00 0.00 H new ATOM 896 N ILE A 58 0.725 2.294 5.628 1.00 0.00 N ATOM 897 CA ILE A 58 0.063 1.395 4.692 1.00 0.00 C ATOM 898 C ILE A 58 0.154 -0.050 5.186 1.00 0.00 C ATOM 899 O ILE A 58 -0.695 -0.887 4.873 1.00 0.00 O ATOM 900 CB ILE A 58 0.654 1.531 3.263 1.00 0.00 C ATOM 901 CG1 ILE A 58 0.257 2.880 2.643 1.00 0.00 C ATOM 902 CG2 ILE A 58 0.198 0.391 2.358 1.00 0.00 C ATOM 903 CD1 ILE A 58 0.977 4.081 3.225 1.00 0.00 C ATOM 0 H ILE A 58 1.617 2.660 5.296 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.989 1.677 4.639 1.00 0.00 H new ATOM 0 HB ILE A 58 1.739 1.481 3.351 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.450 2.842 1.571 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.816 3.021 2.769 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.631 0.519 1.366 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.526 -0.560 2.777 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.889 0.399 2.283 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.633 4.988 2.727 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.765 4.150 4.292 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.051 3.969 3.075 1.00 0.00 H new ATOM 915 N ALA A 59 1.173 -0.333 5.988 1.00 0.00 N ATOM 916 CA ALA A 59 1.294 -1.636 6.623 1.00 0.00 C ATOM 917 C ALA A 59 0.148 -1.835 7.609 1.00 0.00 C ATOM 918 O ALA A 59 -0.494 -2.886 7.633 1.00 0.00 O ATOM 919 CB ALA A 59 2.642 -1.775 7.319 1.00 0.00 C ATOM 0 H ALA A 59 1.924 0.320 6.212 1.00 0.00 H new ATOM 0 HA ALA A 59 1.236 -2.410 5.857 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.710 -2.757 7.787 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.442 -1.665 6.587 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.739 -1.002 8.082 1.00 0.00 H new ATOM 925 N GLU A 60 -0.112 -0.806 8.410 1.00 0.00 N ATOM 926 CA GLU A 60 -1.239 -0.798 9.326 1.00 0.00 C ATOM 927 C GLU A 60 -2.552 -0.849 8.551 1.00 0.00 C ATOM 928 O GLU A 60 -3.500 -1.508 8.964 1.00 0.00 O ATOM 929 CB GLU A 60 -1.205 0.447 10.220 1.00 0.00 C ATOM 930 CG GLU A 60 0.030 0.558 11.105 1.00 0.00 C ATOM 931 CD GLU A 60 1.229 1.154 10.392 1.00 0.00 C ATOM 932 OE1 GLU A 60 1.906 0.422 9.640 1.00 0.00 O ATOM 933 OE2 GLU A 60 1.496 2.358 10.588 1.00 0.00 O ATOM 0 H GLU A 60 0.454 0.042 8.440 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.168 -1.681 9.961 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.264 1.333 9.589 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.092 0.447 10.854 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.209 1.171 11.974 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.292 -0.433 11.476 1.00 0.00 H new ATOM 940 N LEU A 61 -2.580 -0.148 7.422 1.00 0.00 N ATOM 941 CA LEU A 61 -3.730 -0.153 6.519 1.00 0.00 C ATOM 942 C LEU A 61 -4.099 -1.589 6.145 1.00 0.00 C ATOM 943 O LEU A 61 -5.238 -2.024 6.318 1.00 0.00 O ATOM 944 CB LEU A 61 -3.377 0.629 5.243 1.00 0.00 C ATOM 945 CG LEU A 61 -4.484 1.502 4.635 1.00 0.00 C ATOM 946 CD1 LEU A 61 -5.782 0.728 4.473 1.00 0.00 C ATOM 947 CD2 LEU A 61 -4.690 2.751 5.472 1.00 0.00 C ATOM 0 H LEU A 61 -1.808 0.439 7.106 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.578 0.315 7.019 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.522 1.269 5.463 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.054 -0.085 4.486 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.165 1.804 3.637 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.542 1.378 4.040 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.617 -0.125 3.815 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.119 0.375 5.448 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.478 3.360 5.029 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.977 2.467 6.485 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.763 3.324 5.505 1.00 0.00 H new ATOM 959 N LEU A 62 -3.106 -2.320 5.654 1.00 0.00 N ATOM 960 CA LEU A 62 -3.316 -3.664 5.132 1.00 0.00 C ATOM 961 C LEU A 62 -3.653 -4.660 6.241 1.00 0.00 C ATOM 962 O LEU A 62 -4.477 -5.553 6.050 1.00 0.00 O ATOM 963 CB LEU A 62 -2.064 -4.139 4.398 1.00 0.00 C ATOM 964 CG LEU A 62 -2.259 -5.379 3.527 1.00 0.00 C ATOM 965 CD1 LEU A 62 -2.985 -5.011 2.246 1.00 0.00 C ATOM 966 CD2 LEU A 62 -0.926 -6.039 3.222 1.00 0.00 C ATOM 0 H LEU A 62 -2.139 -2.000 5.607 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.162 -3.618 4.446 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.698 -3.326 3.770 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.287 -4.348 5.133 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.869 -6.096 4.077 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.118 -5.903 1.634 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.960 -4.589 2.489 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.399 -4.276 1.694 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.090 -6.920 2.601 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.284 -5.335 2.692 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.446 -6.337 4.154 1.00 0.00 H new ATOM 978 N ARG A 63 -3.024 -4.503 7.402 1.00 0.00 N ATOM 979 CA ARG A 63 -3.162 -5.480 8.483 1.00 0.00 C ATOM 980 C ARG A 63 -4.524 -5.373 9.169 1.00 0.00 C ATOM 981 O ARG A 63 -4.839 -6.148 10.073 1.00 0.00 O ATOM 982 CB ARG A 63 -2.029 -5.318 9.502 1.00 0.00 C ATOM 983 CG ARG A 63 -2.134 -4.072 10.371 1.00 0.00 C ATOM 984 CD ARG A 63 -0.871 -3.856 11.189 1.00 0.00 C ATOM 985 NE ARG A 63 -0.520 -5.036 11.981 1.00 0.00 N ATOM 986 CZ ARG A 63 0.722 -5.498 12.117 1.00 0.00 C ATOM 987 NH1 ARG A 63 1.741 -4.858 11.556 1.00 0.00 N ATOM 988 NH2 ARG A 63 0.951 -6.587 12.836 1.00 0.00 N ATOM 0 H ARG A 63 -2.416 -3.714 7.620 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.094 -6.474 8.041 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -2.010 -6.196 10.148 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.079 -5.295 8.969 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.314 -3.201 9.740 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -2.990 -4.164 11.039 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.045 -3.609 10.522 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.011 -3.003 11.853 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.272 -5.534 12.457 1.00 0.00 H new ATOM 0 HH11 ARG A 63 1.575 -4.008 11.017 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.690 -5.216 11.664 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.176 -7.073 13.286 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.903 -6.939 12.939 1.00 0.00 H new ATOM 1002 N GLU A 64 -5.330 -4.415 8.733 1.00 0.00 N ATOM 1003 CA GLU A 64 -6.683 -4.271 9.239 1.00 0.00 C ATOM 1004 C GLU A 64 -7.644 -5.164 8.455 1.00 0.00 C ATOM 1005 O GLU A 64 -8.835 -5.233 8.765 1.00 0.00 O ATOM 1006 CB GLU A 64 -7.129 -2.810 9.159 1.00 0.00 C ATOM 1007 CG GLU A 64 -6.363 -1.883 10.092 1.00 0.00 C ATOM 1008 CD GLU A 64 -6.760 -2.027 11.551 1.00 0.00 C ATOM 1009 OE1 GLU A 64 -6.675 -3.147 12.098 1.00 0.00 O ATOM 1010 OE2 GLU A 64 -7.145 -1.009 12.168 1.00 0.00 O ATOM 0 H GLU A 64 -5.067 -3.726 8.028 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.696 -4.582 10.284 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.010 -2.459 8.134 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.192 -2.751 9.394 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.296 -2.082 9.993 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.525 -0.851 9.780 1.00 0.00 H new ATOM 1017 N PHE A 65 -7.122 -5.845 7.434 1.00 0.00 N ATOM 1018 CA PHE A 65 -7.922 -6.774 6.640 1.00 0.00 C ATOM 1019 C PHE A 65 -7.524 -8.220 6.921 1.00 0.00 C ATOM 1020 O PHE A 65 -6.566 -8.734 6.347 1.00 0.00 O ATOM 1021 CB PHE A 65 -7.779 -6.493 5.142 1.00 0.00 C ATOM 1022 CG PHE A 65 -9.061 -6.078 4.485 1.00 0.00 C ATOM 1023 CD1 PHE A 65 -9.995 -7.027 4.105 1.00 0.00 C ATOM 1024 CD2 PHE A 65 -9.332 -4.743 4.246 1.00 0.00 C ATOM 1025 CE1 PHE A 65 -11.176 -6.654 3.495 1.00 0.00 C ATOM 1026 CE2 PHE A 65 -10.511 -4.360 3.635 1.00 0.00 C ATOM 1027 CZ PHE A 65 -11.435 -5.317 3.262 1.00 0.00 C ATOM 0 H PHE A 65 -6.149 -5.770 7.139 1.00 0.00 H new ATOM 0 HA PHE A 65 -8.962 -6.626 6.929 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -7.036 -5.709 4.997 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.400 -7.387 4.647 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -9.797 -8.073 4.288 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -8.614 -3.991 4.540 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -11.895 -7.405 3.201 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -10.710 -3.315 3.449 1.00 0.00 H new ATOM 0 HZ PHE A 65 -12.359 -5.020 2.789 1.00 0.00 H new ATOM 1037 N PRO A 66 -8.253 -8.893 7.818 1.00 0.00 N ATOM 1038 CA PRO A 66 -8.028 -10.295 8.132 1.00 0.00 C ATOM 1039 C PRO A 66 -8.908 -11.215 7.291 1.00 0.00 C ATOM 1040 O PRO A 66 -9.089 -12.387 7.616 1.00 0.00 O ATOM 1041 CB PRO A 66 -8.427 -10.359 9.602 1.00 0.00 C ATOM 1042 CG PRO A 66 -9.516 -9.343 9.750 1.00 0.00 C ATOM 1043 CD PRO A 66 -9.346 -8.336 8.632 1.00 0.00 C ATOM 0 HA PRO A 66 -7.008 -10.623 7.930 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -8.776 -11.355 9.874 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -7.582 -10.130 10.251 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -10.495 -9.818 9.694 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -9.455 -8.853 10.722 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -10.261 -8.226 8.051 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -9.093 -7.349 9.018 1.00 0.00 H new ATOM 1051 N GLN A 67 -9.461 -10.667 6.215 1.00 0.00 N ATOM 1052 CA GLN A 67 -10.416 -11.393 5.390 1.00 0.00 C ATOM 1053 C GLN A 67 -9.693 -12.300 4.397 1.00 0.00 C ATOM 1054 O GLN A 67 -9.795 -13.520 4.472 1.00 0.00 O ATOM 1055 CB GLN A 67 -11.327 -10.405 4.646 1.00 0.00 C ATOM 1056 CG GLN A 67 -12.734 -10.933 4.373 1.00 0.00 C ATOM 1057 CD GLN A 67 -12.775 -12.071 3.370 1.00 0.00 C ATOM 1058 OE1 GLN A 67 -12.680 -13.243 3.731 1.00 0.00 O ATOM 1059 NE2 GLN A 67 -12.931 -11.729 2.103 1.00 0.00 N ATOM 0 H GLN A 67 -9.263 -9.719 5.894 1.00 0.00 H new ATOM 0 HA GLN A 67 -11.029 -12.019 6.039 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -11.402 -9.488 5.230 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -10.860 -10.141 3.697 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -13.174 -11.271 5.311 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -13.355 -10.115 4.007 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -13.006 -10.745 1.846 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -12.977 -12.449 1.382 1.00 0.00 H new ATOM 1068 N PHE A 68 -8.949 -11.706 3.473 1.00 0.00 N ATOM 1069 CA PHE A 68 -8.304 -12.480 2.424 1.00 0.00 C ATOM 1070 C PHE A 68 -6.838 -12.098 2.263 1.00 0.00 C ATOM 1071 O PHE A 68 -6.436 -10.977 2.570 1.00 0.00 O ATOM 1072 CB PHE A 68 -9.063 -12.349 1.090 1.00 0.00 C ATOM 1073 CG PHE A 68 -9.162 -10.959 0.503 1.00 0.00 C ATOM 1074 CD1 PHE A 68 -9.453 -9.849 1.287 1.00 0.00 C ATOM 1075 CD2 PHE A 68 -9.008 -10.779 -0.862 1.00 0.00 C ATOM 1076 CE1 PHE A 68 -9.586 -8.597 0.719 1.00 0.00 C ATOM 1077 CE2 PHE A 68 -9.133 -9.528 -1.433 1.00 0.00 C ATOM 1078 CZ PHE A 68 -9.425 -8.437 -0.642 1.00 0.00 C ATOM 0 H PHE A 68 -8.779 -10.701 3.429 1.00 0.00 H new ATOM 0 HA PHE A 68 -8.335 -13.527 2.726 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -8.579 -12.995 0.357 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -10.074 -12.731 1.234 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -9.577 -9.967 2.353 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -8.787 -11.630 -1.489 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -9.816 -7.744 1.340 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -9.002 -9.404 -2.498 1.00 0.00 H new ATOM 0 HZ PHE A 68 -9.528 -7.458 -1.087 1.00 0.00 H new ATOM 1088 N ASP A 69 -6.055 -13.055 1.785 1.00 0.00 N ATOM 1089 CA ASP A 69 -4.612 -12.899 1.658 1.00 0.00 C ATOM 1090 C ASP A 69 -4.227 -12.424 0.265 1.00 0.00 C ATOM 1091 O ASP A 69 -4.647 -13.002 -0.739 1.00 0.00 O ATOM 1092 CB ASP A 69 -3.919 -14.226 1.979 1.00 0.00 C ATOM 1093 CG ASP A 69 -2.454 -14.242 1.587 1.00 0.00 C ATOM 1094 OD1 ASP A 69 -1.669 -13.439 2.132 1.00 0.00 O ATOM 1095 OD2 ASP A 69 -2.072 -15.088 0.750 1.00 0.00 O ATOM 0 H ASP A 69 -6.402 -13.962 1.474 1.00 0.00 H new ATOM 0 HA ASP A 69 -4.285 -12.140 2.368 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.005 -14.425 3.047 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -4.436 -15.034 1.461 1.00 0.00 H new ATOM 1100 N TRP A 70 -3.426 -11.371 0.225 1.00 0.00 N ATOM 1101 CA TRP A 70 -2.964 -10.785 -1.024 1.00 0.00 C ATOM 1102 C TRP A 70 -1.576 -10.172 -0.848 1.00 0.00 C ATOM 1103 O TRP A 70 -1.008 -10.206 0.245 1.00 0.00 O ATOM 1104 CB TRP A 70 -3.962 -9.739 -1.551 1.00 0.00 C ATOM 1105 CG TRP A 70 -4.437 -8.717 -0.551 1.00 0.00 C ATOM 1106 CD1 TRP A 70 -4.082 -8.596 0.763 1.00 0.00 C ATOM 1107 CD2 TRP A 70 -5.372 -7.662 -0.806 1.00 0.00 C ATOM 1108 NE1 TRP A 70 -4.750 -7.547 1.340 1.00 0.00 N ATOM 1109 CE2 TRP A 70 -5.543 -6.953 0.398 1.00 0.00 C ATOM 1110 CE3 TRP A 70 -6.084 -7.251 -1.936 1.00 0.00 C ATOM 1111 CZ2 TRP A 70 -6.396 -5.859 0.501 1.00 0.00 C ATOM 1112 CZ3 TRP A 70 -6.928 -6.162 -1.831 1.00 0.00 C ATOM 1113 CH2 TRP A 70 -7.078 -5.476 -0.621 1.00 0.00 C ATOM 0 H TRP A 70 -3.077 -10.898 1.059 1.00 0.00 H new ATOM 0 HA TRP A 70 -2.897 -11.581 -1.765 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -3.500 -9.213 -2.386 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -4.832 -10.263 -1.947 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -3.377 -9.235 1.274 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -4.669 -7.257 2.314 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -5.977 -7.775 -2.874 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -6.516 -5.330 1.435 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -7.482 -5.835 -2.698 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -7.745 -4.628 -0.572 1.00 0.00 H new ATOM 1124 N GLN A 71 -1.031 -9.620 -1.924 1.00 0.00 N ATOM 1125 CA GLN A 71 0.318 -9.063 -1.896 1.00 0.00 C ATOM 1126 C GLN A 71 0.305 -7.565 -1.613 1.00 0.00 C ATOM 1127 O GLN A 71 -0.622 -6.854 -1.997 1.00 0.00 O ATOM 1128 CB GLN A 71 1.052 -9.323 -3.220 1.00 0.00 C ATOM 1129 CG GLN A 71 1.443 -10.780 -3.446 1.00 0.00 C ATOM 1130 CD GLN A 71 0.270 -11.671 -3.809 1.00 0.00 C ATOM 1131 OE1 GLN A 71 0.248 -12.848 -3.462 1.00 0.00 O ATOM 1132 NE2 GLN A 71 -0.692 -11.129 -4.539 1.00 0.00 N ATOM 0 H GLN A 71 -1.500 -9.545 -2.827 1.00 0.00 H new ATOM 0 HA GLN A 71 0.847 -9.566 -1.086 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.417 -8.998 -4.044 1.00 0.00 H new ATOM 0 HB3 GLN A 71 1.952 -8.709 -3.250 1.00 0.00 H new ATOM 0 HG2 GLN A 71 2.187 -10.829 -4.241 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.916 -11.165 -2.543 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.637 -10.146 -4.807 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -1.489 -11.694 -4.833 1.00 0.00 H new ATOM 1141 N VAL A 72 1.347 -7.096 -0.941 1.00 0.00 N ATOM 1142 CA VAL A 72 1.523 -5.674 -0.680 1.00 0.00 C ATOM 1143 C VAL A 72 2.866 -5.212 -1.237 1.00 0.00 C ATOM 1144 O VAL A 72 3.884 -5.879 -1.048 1.00 0.00 O ATOM 1145 CB VAL A 72 1.436 -5.354 0.832 1.00 0.00 C ATOM 1146 CG1 VAL A 72 2.439 -6.175 1.627 1.00 0.00 C ATOM 1147 CG2 VAL A 72 1.634 -3.863 1.091 1.00 0.00 C ATOM 0 H VAL A 72 2.089 -7.685 -0.564 1.00 0.00 H new ATOM 0 HA VAL A 72 0.715 -5.138 -1.177 1.00 0.00 H new ATOM 0 HB VAL A 72 0.436 -5.626 1.168 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.354 -5.928 2.685 1.00 0.00 H new ATOM 0 HG12 VAL A 72 2.235 -7.236 1.484 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.448 -5.950 1.282 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.568 -3.668 2.161 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.615 -3.557 0.726 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.861 -3.298 0.571 1.00 0.00 H new ATOM 1157 N ALA A 73 2.865 -4.094 -1.945 1.00 0.00 N ATOM 1158 CA ALA A 73 4.082 -3.591 -2.556 1.00 0.00 C ATOM 1159 C ALA A 73 4.146 -2.070 -2.507 1.00 0.00 C ATOM 1160 O ALA A 73 3.121 -1.396 -2.386 1.00 0.00 O ATOM 1161 CB ALA A 73 4.179 -4.080 -3.988 1.00 0.00 C ATOM 0 H ALA A 73 2.038 -3.520 -2.110 1.00 0.00 H new ATOM 0 HA ALA A 73 4.930 -3.973 -1.987 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.094 -3.699 -4.441 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.194 -5.170 -4.000 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.318 -3.723 -4.554 1.00 0.00 H new ATOM 1167 N VAL A 74 5.355 -1.534 -2.602 1.00 0.00 N ATOM 1168 CA VAL A 74 5.575 -0.094 -2.532 1.00 0.00 C ATOM 1169 C VAL A 74 6.512 0.344 -3.652 1.00 0.00 C ATOM 1170 O VAL A 74 7.217 -0.488 -4.232 1.00 0.00 O ATOM 1171 CB VAL A 74 6.158 0.317 -1.158 1.00 0.00 C ATOM 1172 CG1 VAL A 74 5.225 -0.125 -0.044 1.00 0.00 C ATOM 1173 CG2 VAL A 74 7.552 -0.268 -0.964 1.00 0.00 C ATOM 0 H VAL A 74 6.207 -2.080 -2.729 1.00 0.00 H new ATOM 0 HA VAL A 74 4.613 0.404 -2.652 1.00 0.00 H new ATOM 0 HB VAL A 74 6.246 1.403 -1.127 1.00 0.00 H new ATOM 0 HG11 VAL A 74 5.643 0.168 0.919 1.00 0.00 H new ATOM 0 HG12 VAL A 74 4.252 0.347 -0.176 1.00 0.00 H new ATOM 0 HG13 VAL A 74 5.110 -1.208 -0.074 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.941 0.034 0.008 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.500 -1.356 -1.012 1.00 0.00 H new ATOM 0 HG23 VAL A 74 8.213 0.099 -1.749 1.00 0.00 H new ATOM 1183 N ALA A 75 6.523 1.633 -3.964 1.00 0.00 N ATOM 1184 CA ALA A 75 7.337 2.137 -5.059 1.00 0.00 C ATOM 1185 C ALA A 75 8.105 3.392 -4.661 1.00 0.00 C ATOM 1186 O ALA A 75 7.722 4.103 -3.733 1.00 0.00 O ATOM 1187 CB ALA A 75 6.472 2.414 -6.279 1.00 0.00 C ATOM 0 H ALA A 75 5.980 2.345 -3.476 1.00 0.00 H new ATOM 0 HA ALA A 75 8.067 1.367 -5.307 1.00 0.00 H new ATOM 0 HB1 ALA A 75 7.096 2.791 -7.090 1.00 0.00 H new ATOM 0 HB2 ALA A 75 5.983 1.492 -6.595 1.00 0.00 H new ATOM 0 HB3 ALA A 75 5.716 3.158 -6.028 1.00 0.00 H new ATOM 1193 N ASP A 76 9.190 3.645 -5.387 1.00 0.00 N ATOM 1194 CA ASP A 76 10.042 4.813 -5.164 1.00 0.00 C ATOM 1195 C ASP A 76 9.312 6.109 -5.529 1.00 0.00 C ATOM 1196 O ASP A 76 8.428 6.109 -6.389 1.00 0.00 O ATOM 1197 CB ASP A 76 11.327 4.665 -5.994 1.00 0.00 C ATOM 1198 CG ASP A 76 12.224 5.887 -5.931 1.00 0.00 C ATOM 1199 OD1 ASP A 76 13.018 6.005 -4.980 1.00 0.00 O ATOM 1200 OD2 ASP A 76 12.140 6.737 -6.840 1.00 0.00 O ATOM 0 H ASP A 76 9.506 3.045 -6.149 1.00 0.00 H new ATOM 0 HA ASP A 76 10.296 4.868 -4.105 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.882 3.796 -5.640 1.00 0.00 H new ATOM 0 HB3 ASP A 76 11.060 4.471 -7.033 1.00 0.00 H new ATOM 1205 N LEU A 77 9.692 7.204 -4.872 1.00 0.00 N ATOM 1206 CA LEU A 77 9.056 8.509 -5.070 1.00 0.00 C ATOM 1207 C LEU A 77 9.131 8.951 -6.535 1.00 0.00 C ATOM 1208 O LEU A 77 8.129 9.378 -7.111 1.00 0.00 O ATOM 1209 CB LEU A 77 9.719 9.549 -4.148 1.00 0.00 C ATOM 1210 CG LEU A 77 9.035 10.923 -4.062 1.00 0.00 C ATOM 1211 CD1 LEU A 77 9.359 11.588 -2.732 1.00 0.00 C ATOM 1212 CD2 LEU A 77 9.477 11.827 -5.205 1.00 0.00 C ATOM 0 H LEU A 77 10.448 7.213 -4.188 1.00 0.00 H new ATOM 0 HA LEU A 77 8.000 8.424 -4.813 1.00 0.00 H new ATOM 0 HB2 LEU A 77 9.771 9.130 -3.143 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.745 9.699 -4.485 1.00 0.00 H new ATOM 0 HG LEU A 77 7.959 10.768 -4.139 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.869 12.560 -2.683 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.003 10.960 -1.915 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.437 11.720 -2.644 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.978 12.792 -5.119 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.556 11.971 -5.158 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.214 11.365 -6.157 1.00 0.00 H new ATOM 1224 N GLU A 78 10.310 8.832 -7.137 1.00 0.00 N ATOM 1225 CA GLU A 78 10.501 9.217 -8.532 1.00 0.00 C ATOM 1226 C GLU A 78 9.713 8.296 -9.447 1.00 0.00 C ATOM 1227 O GLU A 78 9.159 8.725 -10.460 1.00 0.00 O ATOM 1228 CB GLU A 78 11.982 9.165 -8.908 1.00 0.00 C ATOM 1229 CG GLU A 78 12.667 10.520 -8.913 1.00 0.00 C ATOM 1230 CD GLU A 78 12.549 11.244 -7.592 1.00 0.00 C ATOM 1231 OE1 GLU A 78 13.223 10.832 -6.623 1.00 0.00 O ATOM 1232 OE2 GLU A 78 11.789 12.229 -7.520 1.00 0.00 O ATOM 0 H GLU A 78 11.148 8.472 -6.681 1.00 0.00 H new ATOM 0 HA GLU A 78 10.141 10.239 -8.653 1.00 0.00 H new ATOM 0 HB2 GLU A 78 12.501 8.510 -8.208 1.00 0.00 H new ATOM 0 HB3 GLU A 78 12.080 8.717 -9.897 1.00 0.00 H new ATOM 0 HG2 GLU A 78 13.721 10.387 -9.156 1.00 0.00 H new ATOM 0 HG3 GLU A 78 12.234 11.137 -9.700 1.00 0.00 H new ATOM 1239 N GLN A 79 9.658 7.028 -9.074 1.00 0.00 N ATOM 1240 CA GLN A 79 8.955 6.033 -9.863 1.00 0.00 C ATOM 1241 C GLN A 79 7.458 6.301 -9.831 1.00 0.00 C ATOM 1242 O GLN A 79 6.774 6.163 -10.843 1.00 0.00 O ATOM 1243 CB GLN A 79 9.251 4.635 -9.332 1.00 0.00 C ATOM 1244 CG GLN A 79 9.431 3.601 -10.427 1.00 0.00 C ATOM 1245 CD GLN A 79 9.700 2.216 -9.882 1.00 0.00 C ATOM 1246 OE1 GLN A 79 10.444 1.443 -10.473 1.00 0.00 O ATOM 1247 NE2 GLN A 79 9.077 1.886 -8.762 1.00 0.00 N ATOM 0 H GLN A 79 10.094 6.664 -8.227 1.00 0.00 H new ATOM 0 HA GLN A 79 9.300 6.096 -10.895 1.00 0.00 H new ATOM 0 HB2 GLN A 79 10.154 4.669 -8.723 1.00 0.00 H new ATOM 0 HB3 GLN A 79 8.437 4.323 -8.678 1.00 0.00 H new ATOM 0 HG2 GLN A 79 8.535 3.575 -11.048 1.00 0.00 H new ATOM 0 HG3 GLN A 79 10.257 3.900 -11.072 1.00 0.00 H new ATOM 0 HE21 GLN A 79 8.466 2.560 -8.301 1.00 0.00 H new ATOM 0 HE22 GLN A 79 9.208 0.958 -8.360 1.00 0.00 H new ATOM 1256 N SER A 80 6.965 6.703 -8.665 1.00 0.00 N ATOM 1257 CA SER A 80 5.556 7.019 -8.479 1.00 0.00 C ATOM 1258 C SER A 80 5.103 8.139 -9.415 1.00 0.00 C ATOM 1259 O SER A 80 3.942 8.184 -9.820 1.00 0.00 O ATOM 1260 CB SER A 80 5.314 7.407 -7.022 1.00 0.00 C ATOM 1261 OG SER A 80 3.950 7.691 -6.774 1.00 0.00 O ATOM 0 H SER A 80 7.531 6.818 -7.824 1.00 0.00 H new ATOM 0 HA SER A 80 4.967 6.135 -8.725 1.00 0.00 H new ATOM 0 HB2 SER A 80 5.641 6.596 -6.371 1.00 0.00 H new ATOM 0 HB3 SER A 80 5.918 8.279 -6.773 1.00 0.00 H new ATOM 0 HG SER A 80 3.877 8.305 -6.014 1.00 0.00 H new ATOM 1267 N GLU A 81 6.022 9.034 -9.767 1.00 0.00 N ATOM 1268 CA GLU A 81 5.722 10.114 -10.698 1.00 0.00 C ATOM 1269 C GLU A 81 5.308 9.529 -12.048 1.00 0.00 C ATOM 1270 O GLU A 81 4.343 9.974 -12.667 1.00 0.00 O ATOM 1271 CB GLU A 81 6.945 11.019 -10.870 1.00 0.00 C ATOM 1272 CG GLU A 81 6.639 12.362 -11.514 1.00 0.00 C ATOM 1273 CD GLU A 81 5.846 13.270 -10.599 1.00 0.00 C ATOM 1274 OE1 GLU A 81 6.373 13.641 -9.528 1.00 0.00 O ATOM 1275 OE2 GLU A 81 4.699 13.625 -10.940 1.00 0.00 O ATOM 0 H GLU A 81 6.981 9.031 -9.420 1.00 0.00 H new ATOM 0 HA GLU A 81 4.901 10.710 -10.299 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.396 11.191 -9.893 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.686 10.498 -11.476 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.573 12.852 -11.788 1.00 0.00 H new ATOM 0 HG3 GLU A 81 6.080 12.201 -12.436 1.00 0.00 H new ATOM 1282 N ALA A 82 6.037 8.506 -12.481 1.00 0.00 N ATOM 1283 CA ALA A 82 5.734 7.821 -13.730 1.00 0.00 C ATOM 1284 C ALA A 82 4.547 6.879 -13.554 1.00 0.00 C ATOM 1285 O ALA A 82 3.804 6.611 -14.504 1.00 0.00 O ATOM 1286 CB ALA A 82 6.953 7.056 -14.221 1.00 0.00 C ATOM 0 H ALA A 82 6.845 8.133 -11.982 1.00 0.00 H new ATOM 0 HA ALA A 82 5.468 8.568 -14.477 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.712 6.549 -15.155 1.00 0.00 H new ATOM 0 HB2 ALA A 82 7.776 7.751 -14.387 1.00 0.00 H new ATOM 0 HB3 ALA A 82 7.246 6.319 -13.473 1.00 0.00 H new ATOM 1292 N ILE A 83 4.376 6.379 -12.339 1.00 0.00 N ATOM 1293 CA ILE A 83 3.259 5.499 -12.012 1.00 0.00 C ATOM 1294 C ILE A 83 1.936 6.258 -12.094 1.00 0.00 C ATOM 1295 O ILE A 83 1.008 5.823 -12.775 1.00 0.00 O ATOM 1296 CB ILE A 83 3.432 4.874 -10.609 1.00 0.00 C ATOM 1297 CG1 ILE A 83 4.632 3.921 -10.607 1.00 0.00 C ATOM 1298 CG2 ILE A 83 2.169 4.144 -10.173 1.00 0.00 C ATOM 1299 CD1 ILE A 83 4.902 3.277 -9.265 1.00 0.00 C ATOM 0 H ILE A 83 5.001 6.569 -11.556 1.00 0.00 H new ATOM 0 HA ILE A 83 3.246 4.691 -12.744 1.00 0.00 H new ATOM 0 HB ILE A 83 3.614 5.677 -9.895 1.00 0.00 H new ATOM 0 HG12 ILE A 83 4.463 3.139 -11.347 1.00 0.00 H new ATOM 0 HG13 ILE A 83 5.520 4.470 -10.921 1.00 0.00 H new ATOM 0 HG21 ILE A 83 2.320 3.715 -9.183 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.336 4.846 -10.141 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.945 3.348 -10.883 1.00 0.00 H new ATOM 0 HD11 ILE A 83 5.766 2.617 -9.345 1.00 0.00 H new ATOM 0 HD12 ILE A 83 5.104 4.051 -8.524 1.00 0.00 H new ATOM 0 HD13 ILE A 83 4.031 2.699 -8.957 1.00 0.00 H new ATOM 1311 N GLY A 84 1.866 7.405 -11.428 1.00 0.00 N ATOM 1312 CA GLY A 84 0.674 8.233 -11.498 1.00 0.00 C ATOM 1313 C GLY A 84 0.396 8.691 -12.916 1.00 0.00 C ATOM 1314 O GLY A 84 -0.748 8.901 -13.304 1.00 0.00 O ATOM 0 H GLY A 84 2.612 7.777 -10.841 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -0.182 7.673 -11.122 1.00 0.00 H new ATOM 0 HA3 GLY A 84 0.795 9.102 -10.851 1.00 0.00 H new ATOM 1318 N ASP A 85 1.460 8.818 -13.691 1.00 0.00 N ATOM 1319 CA ASP A 85 1.373 9.216 -15.094 1.00 0.00 C ATOM 1320 C ASP A 85 0.744 8.105 -15.921 1.00 0.00 C ATOM 1321 O ASP A 85 -0.052 8.348 -16.831 1.00 0.00 O ATOM 1322 CB ASP A 85 2.775 9.517 -15.621 1.00 0.00 C ATOM 1323 CG ASP A 85 2.805 9.802 -17.109 1.00 0.00 C ATOM 1324 OD1 ASP A 85 2.276 10.850 -17.532 1.00 0.00 O ATOM 1325 OD2 ASP A 85 3.375 8.980 -17.859 1.00 0.00 O ATOM 0 H ASP A 85 2.413 8.649 -13.368 1.00 0.00 H new ATOM 0 HA ASP A 85 0.750 10.107 -15.173 1.00 0.00 H new ATOM 0 HB2 ASP A 85 3.181 10.375 -15.085 1.00 0.00 H new ATOM 0 HB3 ASP A 85 3.426 8.670 -15.407 1.00 0.00 H new ATOM 1330 N ARG A 86 1.119 6.885 -15.576 1.00 0.00 N ATOM 1331 CA ARG A 86 0.661 5.683 -16.266 1.00 0.00 C ATOM 1332 C ARG A 86 -0.864 5.609 -16.348 1.00 0.00 C ATOM 1333 O ARG A 86 -1.427 5.518 -17.440 1.00 0.00 O ATOM 1334 CB ARG A 86 1.205 4.439 -15.555 1.00 0.00 C ATOM 1335 CG ARG A 86 0.676 3.136 -16.124 1.00 0.00 C ATOM 1336 CD ARG A 86 1.121 2.927 -17.561 1.00 0.00 C ATOM 1337 NE ARG A 86 0.344 1.877 -18.208 1.00 0.00 N ATOM 1338 CZ ARG A 86 0.711 0.601 -18.261 1.00 0.00 C ATOM 1339 NH1 ARG A 86 1.849 0.202 -17.703 1.00 0.00 N ATOM 1340 NH2 ARG A 86 -0.062 -0.281 -18.876 1.00 0.00 N ATOM 0 H ARG A 86 1.756 6.695 -14.802 1.00 0.00 H new ATOM 0 HA ARG A 86 1.041 5.725 -17.287 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.293 4.440 -15.621 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.949 4.494 -14.497 1.00 0.00 H new ATOM 0 HG2 ARG A 86 1.023 2.304 -15.511 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.413 3.134 -16.077 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.012 3.858 -18.117 1.00 0.00 H new ATOM 0 HD3 ARG A 86 2.179 2.665 -17.582 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.538 2.139 -18.648 1.00 0.00 H new ATOM 0 HH11 ARG A 86 2.449 0.877 -17.229 1.00 0.00 H new ATOM 0 HH12 ARG A 86 2.123 -0.780 -17.749 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -0.936 0.020 -19.307 1.00 0.00 H new ATOM 0 HH22 ARG A 86 0.217 -1.261 -18.919 1.00 0.00 H new ATOM 1354 N PHE A 87 -1.530 5.641 -15.199 1.00 0.00 N ATOM 1355 CA PHE A 87 -2.990 5.481 -15.171 1.00 0.00 C ATOM 1356 C PHE A 87 -3.665 6.832 -15.245 1.00 0.00 C ATOM 1357 O PHE A 87 -4.868 6.920 -15.491 1.00 0.00 O ATOM 1358 CB PHE A 87 -3.458 4.777 -13.898 1.00 0.00 C ATOM 1359 CG PHE A 87 -2.445 3.854 -13.306 1.00 0.00 C ATOM 1360 CD1 PHE A 87 -2.323 2.549 -13.743 1.00 0.00 C ATOM 1361 CD2 PHE A 87 -1.615 4.303 -12.306 1.00 0.00 C ATOM 1362 CE1 PHE A 87 -1.378 1.705 -13.187 1.00 0.00 C ATOM 1363 CE2 PHE A 87 -0.672 3.475 -11.749 1.00 0.00 C ATOM 1364 CZ PHE A 87 -0.552 2.171 -12.184 1.00 0.00 C ATOM 0 H PHE A 87 -1.096 5.774 -14.285 1.00 0.00 H new ATOM 0 HA PHE A 87 -3.262 4.871 -16.033 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -3.726 5.530 -13.156 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.363 4.212 -14.120 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -2.971 2.184 -14.526 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -1.706 5.320 -11.954 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.287 0.687 -13.536 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.023 3.845 -10.969 1.00 0.00 H new ATOM 0 HZ PHE A 87 0.185 1.518 -11.741 1.00 0.00 H new ATOM 1374 N ASN A 88 -2.867 7.863 -14.990 1.00 0.00 N ATOM 1375 CA ASN A 88 -3.324 9.256 -15.002 1.00 0.00 C ATOM 1376 C ASN A 88 -4.025 9.580 -13.685 1.00 0.00 C ATOM 1377 O ASN A 88 -5.242 9.759 -13.620 1.00 0.00 O ATOM 1378 CB ASN A 88 -4.226 9.549 -16.213 1.00 0.00 C ATOM 1379 CG ASN A 88 -4.653 11.003 -16.307 1.00 0.00 C ATOM 1380 OD1 ASN A 88 -3.935 11.906 -15.876 1.00 0.00 O ATOM 1381 ND2 ASN A 88 -5.820 11.243 -16.887 1.00 0.00 N ATOM 0 H ASN A 88 -1.877 7.759 -14.767 1.00 0.00 H new ATOM 0 HA ASN A 88 -2.454 9.905 -15.101 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -3.698 9.273 -17.126 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -5.114 8.920 -16.156 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -6.151 12.202 -16.989 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -6.387 10.468 -17.232 1.00 0.00 H new ATOM 1388 N VAL A 89 -3.227 9.610 -12.625 1.00 0.00 N ATOM 1389 CA VAL A 89 -3.719 9.864 -11.281 1.00 0.00 C ATOM 1390 C VAL A 89 -2.890 10.967 -10.619 1.00 0.00 C ATOM 1391 O VAL A 89 -1.721 11.166 -10.958 1.00 0.00 O ATOM 1392 CB VAL A 89 -3.654 8.581 -10.411 1.00 0.00 C ATOM 1393 CG1 VAL A 89 -4.326 8.789 -9.064 1.00 0.00 C ATOM 1394 CG2 VAL A 89 -4.278 7.396 -11.135 1.00 0.00 C ATOM 0 H VAL A 89 -2.220 9.458 -12.675 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.759 10.181 -11.358 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.601 8.363 -10.234 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -4.262 7.871 -8.480 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -3.825 9.595 -8.528 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.373 9.050 -9.216 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.219 6.511 -10.502 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.323 7.614 -11.357 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.740 7.214 -12.065 1.00 0.00 H new ATOM 1404 N ARG A 90 -3.510 11.687 -9.694 1.00 0.00 N ATOM 1405 CA ARG A 90 -2.839 12.748 -8.954 1.00 0.00 C ATOM 1406 C ARG A 90 -1.828 12.171 -7.961 1.00 0.00 C ATOM 1407 O ARG A 90 -2.004 11.061 -7.456 1.00 0.00 O ATOM 1408 CB ARG A 90 -3.875 13.597 -8.214 1.00 0.00 C ATOM 1409 CG ARG A 90 -4.726 12.799 -7.237 1.00 0.00 C ATOM 1410 CD ARG A 90 -5.776 13.666 -6.564 1.00 0.00 C ATOM 1411 NE ARG A 90 -6.531 12.925 -5.556 1.00 0.00 N ATOM 1412 CZ ARG A 90 -7.180 13.497 -4.545 1.00 0.00 C ATOM 1413 NH1 ARG A 90 -7.171 14.818 -4.398 1.00 0.00 N ATOM 1414 NH2 ARG A 90 -7.846 12.751 -3.676 1.00 0.00 N ATOM 0 H ARG A 90 -4.488 11.553 -9.436 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.297 13.373 -9.664 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -3.362 14.392 -7.672 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.527 14.078 -8.943 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -5.215 11.981 -7.765 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.084 12.351 -6.478 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -5.293 14.524 -6.097 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -6.461 14.056 -7.317 1.00 0.00 H new ATOM 0 HE ARG A 90 -6.562 11.908 -5.632 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -6.664 15.402 -5.063 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.671 15.248 -3.620 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -7.862 11.737 -3.781 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.343 13.191 -2.902 1.00 0.00 H new ATOM 1428 N ARG A 91 -0.774 12.926 -7.677 1.00 0.00 N ATOM 1429 CA ARG A 91 0.257 12.468 -6.757 1.00 0.00 C ATOM 1430 C ARG A 91 -0.042 12.876 -5.323 1.00 0.00 C ATOM 1431 O ARG A 91 0.309 13.977 -4.890 1.00 0.00 O ATOM 1432 CB ARG A 91 1.638 12.991 -7.147 1.00 0.00 C ATOM 1433 CG ARG A 91 2.475 11.994 -7.921 1.00 0.00 C ATOM 1434 CD ARG A 91 3.952 12.338 -7.835 1.00 0.00 C ATOM 1435 NE ARG A 91 4.441 12.327 -6.452 1.00 0.00 N ATOM 1436 CZ ARG A 91 5.721 12.497 -6.113 1.00 0.00 C ATOM 1437 NH1 ARG A 91 6.637 12.725 -7.049 1.00 0.00 N ATOM 1438 NH2 ARG A 91 6.091 12.458 -4.838 1.00 0.00 N ATOM 0 H ARG A 91 -0.612 13.854 -8.069 1.00 0.00 H new ATOM 0 HA ARG A 91 0.258 11.380 -6.823 1.00 0.00 H new ATOM 0 HB2 ARG A 91 1.518 13.893 -7.747 1.00 0.00 H new ATOM 0 HB3 ARG A 91 2.176 13.278 -6.243 1.00 0.00 H new ATOM 0 HG2 ARG A 91 2.308 10.991 -7.528 1.00 0.00 H new ATOM 0 HG3 ARG A 91 2.161 11.983 -8.965 1.00 0.00 H new ATOM 0 HD2 ARG A 91 4.525 11.625 -8.427 1.00 0.00 H new ATOM 0 HD3 ARG A 91 4.121 13.323 -8.271 1.00 0.00 H new ATOM 0 HE ARG A 91 3.762 12.181 -5.705 1.00 0.00 H new ATOM 0 HH11 ARG A 91 6.363 12.771 -8.030 1.00 0.00 H new ATOM 0 HH12 ARG A 91 7.614 12.854 -6.786 1.00 0.00 H new ATOM 0 HH21 ARG A 91 5.395 12.297 -4.110 1.00 0.00 H new ATOM 0 HH22 ARG A 91 7.071 12.589 -4.587 1.00 0.00 H new ATOM 1452 N PHE A 92 -0.704 11.988 -4.603 1.00 0.00 N ATOM 1453 CA PHE A 92 -0.951 12.157 -3.179 1.00 0.00 C ATOM 1454 C PHE A 92 -0.786 10.811 -2.493 1.00 0.00 C ATOM 1455 O PHE A 92 -0.970 9.776 -3.133 1.00 0.00 O ATOM 1456 CB PHE A 92 -2.363 12.707 -2.926 1.00 0.00 C ATOM 1457 CG PHE A 92 -2.534 14.151 -3.307 1.00 0.00 C ATOM 1458 CD1 PHE A 92 -2.144 15.157 -2.438 1.00 0.00 C ATOM 1459 CD2 PHE A 92 -3.079 14.503 -4.532 1.00 0.00 C ATOM 1460 CE1 PHE A 92 -2.297 16.487 -2.783 1.00 0.00 C ATOM 1461 CE2 PHE A 92 -3.235 15.831 -4.882 1.00 0.00 C ATOM 1462 CZ PHE A 92 -2.843 16.825 -4.007 1.00 0.00 C ATOM 0 H PHE A 92 -1.088 11.125 -4.989 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.237 12.875 -2.775 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.081 12.107 -3.485 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -2.604 12.590 -1.869 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -1.716 14.899 -1.481 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.385 13.730 -5.221 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.990 17.262 -2.096 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.663 16.091 -5.839 1.00 0.00 H new ATOM 0 HZ PHE A 92 -2.963 17.863 -4.278 1.00 0.00 H new ATOM 1472 N PRO A 93 -0.413 10.799 -1.202 1.00 0.00 N ATOM 1473 CA PRO A 93 -0.268 9.560 -0.433 1.00 0.00 C ATOM 1474 C PRO A 93 -1.533 8.709 -0.489 1.00 0.00 C ATOM 1475 O PRO A 93 -2.536 9.010 0.165 1.00 0.00 O ATOM 1476 CB PRO A 93 0.007 10.037 1.002 1.00 0.00 C ATOM 1477 CG PRO A 93 -0.322 11.493 1.011 1.00 0.00 C ATOM 1478 CD PRO A 93 -0.095 11.980 -0.392 1.00 0.00 C ATOM 0 HA PRO A 93 0.526 8.926 -0.827 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -0.606 9.492 1.720 1.00 0.00 H new ATOM 0 HB3 PRO A 93 1.048 9.869 1.278 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -1.355 11.657 1.318 1.00 0.00 H new ATOM 0 HG3 PRO A 93 0.310 12.031 1.717 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -0.740 12.824 -0.637 1.00 0.00 H new ATOM 0 HD3 PRO A 93 0.933 12.310 -0.544 1.00 0.00 H new ATOM 1486 N ALA A 94 -1.485 7.662 -1.297 1.00 0.00 N ATOM 1487 CA ALA A 94 -2.639 6.817 -1.517 1.00 0.00 C ATOM 1488 C ALA A 94 -2.218 5.382 -1.773 1.00 0.00 C ATOM 1489 O ALA A 94 -1.074 5.111 -2.146 1.00 0.00 O ATOM 1490 CB ALA A 94 -3.452 7.333 -2.694 1.00 0.00 C ATOM 0 H ALA A 94 -0.652 7.379 -1.813 1.00 0.00 H new ATOM 0 HA ALA A 94 -3.254 6.843 -0.617 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -4.317 6.688 -2.849 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -3.789 8.349 -2.486 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -2.834 7.332 -3.592 1.00 0.00 H new ATOM 1496 N THR A 95 -3.145 4.468 -1.571 1.00 0.00 N ATOM 1497 CA THR A 95 -2.906 3.067 -1.840 1.00 0.00 C ATOM 1498 C THR A 95 -3.886 2.573 -2.897 1.00 0.00 C ATOM 1499 O THR A 95 -5.103 2.723 -2.743 1.00 0.00 O ATOM 1500 CB THR A 95 -3.050 2.228 -0.555 1.00 0.00 C ATOM 1501 OG1 THR A 95 -2.236 2.793 0.478 1.00 0.00 O ATOM 1502 CG2 THR A 95 -2.640 0.778 -0.791 1.00 0.00 C ATOM 0 H THR A 95 -4.079 4.675 -1.218 1.00 0.00 H new ATOM 0 HA THR A 95 -1.886 2.954 -2.208 1.00 0.00 H new ATOM 0 HB THR A 95 -4.098 2.241 -0.255 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.329 2.261 1.296 1.00 0.00 H new ATOM 0 HG21 THR A 95 -2.753 0.213 0.134 1.00 0.00 H new ATOM 0 HG22 THR A 95 -3.274 0.342 -1.563 1.00 0.00 H new ATOM 0 HG23 THR A 95 -1.599 0.742 -1.113 1.00 0.00 H new ATOM 1510 N LEU A 96 -3.365 2.017 -3.979 1.00 0.00 N ATOM 1511 CA LEU A 96 -4.215 1.514 -5.038 1.00 0.00 C ATOM 1512 C LEU A 96 -4.518 0.042 -4.807 1.00 0.00 C ATOM 1513 O LEU A 96 -3.611 -0.776 -4.657 1.00 0.00 O ATOM 1514 CB LEU A 96 -3.561 1.713 -6.404 1.00 0.00 C ATOM 1515 CG LEU A 96 -3.292 3.166 -6.804 1.00 0.00 C ATOM 1516 CD1 LEU A 96 -2.755 3.233 -8.226 1.00 0.00 C ATOM 1517 CD2 LEU A 96 -4.553 4.008 -6.674 1.00 0.00 C ATOM 0 H LEU A 96 -2.365 1.905 -4.144 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.149 2.076 -5.025 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.616 1.171 -6.417 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.199 1.259 -7.162 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.541 3.572 -6.126 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.569 4.272 -8.496 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.825 2.669 -8.291 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -3.487 2.806 -8.912 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -4.336 5.036 -6.964 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -5.329 3.604 -7.324 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -4.899 3.988 -5.641 1.00 0.00 H new ATOM 1529 N VAL A 97 -5.796 -0.283 -4.768 1.00 0.00 N ATOM 1530 CA VAL A 97 -6.236 -1.643 -4.514 1.00 0.00 C ATOM 1531 C VAL A 97 -6.518 -2.363 -5.822 1.00 0.00 C ATOM 1532 O VAL A 97 -7.451 -2.011 -6.550 1.00 0.00 O ATOM 1533 CB VAL A 97 -7.502 -1.667 -3.631 1.00 0.00 C ATOM 1534 CG1 VAL A 97 -7.961 -3.092 -3.371 1.00 0.00 C ATOM 1535 CG2 VAL A 97 -7.256 -0.937 -2.321 1.00 0.00 C ATOM 0 H VAL A 97 -6.555 0.383 -4.910 1.00 0.00 H new ATOM 0 HA VAL A 97 -5.433 -2.154 -3.984 1.00 0.00 H new ATOM 0 HB VAL A 97 -8.296 -1.151 -4.170 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -8.854 -3.078 -2.747 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.188 -3.580 -4.319 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -7.170 -3.642 -2.861 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -8.160 -0.965 -1.713 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.441 -1.421 -1.782 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -6.990 0.100 -2.527 1.00 0.00 H new ATOM 1545 N PHE A 98 -5.704 -3.362 -6.116 1.00 0.00 N ATOM 1546 CA PHE A 98 -5.861 -4.143 -7.326 1.00 0.00 C ATOM 1547 C PHE A 98 -6.453 -5.501 -6.991 1.00 0.00 C ATOM 1548 O PHE A 98 -5.849 -6.305 -6.283 1.00 0.00 O ATOM 1549 CB PHE A 98 -4.514 -4.314 -8.035 1.00 0.00 C ATOM 1550 CG PHE A 98 -3.907 -3.018 -8.494 1.00 0.00 C ATOM 1551 CD1 PHE A 98 -3.195 -2.222 -7.612 1.00 0.00 C ATOM 1552 CD2 PHE A 98 -4.049 -2.597 -9.805 1.00 0.00 C ATOM 1553 CE1 PHE A 98 -2.636 -1.031 -8.029 1.00 0.00 C ATOM 1554 CE2 PHE A 98 -3.488 -1.405 -10.226 1.00 0.00 C ATOM 1555 CZ PHE A 98 -2.784 -0.621 -9.337 1.00 0.00 C ATOM 0 H PHE A 98 -4.923 -3.651 -5.527 1.00 0.00 H new ATOM 0 HA PHE A 98 -6.538 -3.615 -7.997 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -3.818 -4.812 -7.360 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -4.647 -4.969 -8.896 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -3.076 -2.537 -6.586 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -4.603 -3.205 -10.505 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -2.083 -0.420 -7.331 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -3.602 -1.088 -11.252 1.00 0.00 H new ATOM 0 HZ PHE A 98 -2.350 0.312 -9.664 1.00 0.00 H new ATOM 1565 N THR A 99 -7.654 -5.731 -7.470 1.00 0.00 N ATOM 1566 CA THR A 99 -8.321 -7.003 -7.287 1.00 0.00 C ATOM 1567 C THR A 99 -9.089 -7.323 -8.557 1.00 0.00 C ATOM 1568 O THR A 99 -9.507 -6.409 -9.265 1.00 0.00 O ATOM 1569 CB THR A 99 -9.285 -6.974 -6.083 1.00 0.00 C ATOM 1570 OG1 THR A 99 -8.707 -6.201 -5.022 1.00 0.00 O ATOM 1571 CG2 THR A 99 -9.568 -8.384 -5.573 1.00 0.00 C ATOM 0 H THR A 99 -8.196 -5.045 -7.996 1.00 0.00 H new ATOM 0 HA THR A 99 -7.573 -7.769 -7.083 1.00 0.00 H new ATOM 0 HB THR A 99 -10.223 -6.524 -6.410 1.00 0.00 H new ATOM 0 HG1 THR A 99 -9.321 -6.183 -4.259 1.00 0.00 H new ATOM 0 HG21 THR A 99 -10.250 -8.334 -4.724 1.00 0.00 H new ATOM 0 HG22 THR A 99 -10.022 -8.975 -6.369 1.00 0.00 H new ATOM 0 HG23 THR A 99 -8.634 -8.852 -5.261 1.00 0.00 H new ATOM 1579 N ASP A 100 -9.239 -8.613 -8.859 1.00 0.00 N ATOM 1580 CA ASP A 100 -9.886 -9.060 -10.101 1.00 0.00 C ATOM 1581 C ASP A 100 -8.988 -8.740 -11.295 1.00 0.00 C ATOM 1582 O ASP A 100 -9.377 -8.877 -12.453 1.00 0.00 O ATOM 1583 CB ASP A 100 -11.261 -8.387 -10.267 1.00 0.00 C ATOM 1584 CG ASP A 100 -12.143 -9.046 -11.311 1.00 0.00 C ATOM 1585 OD1 ASP A 100 -12.578 -10.191 -11.087 1.00 0.00 O ATOM 1586 OD2 ASP A 100 -12.415 -8.417 -12.358 1.00 0.00 O ATOM 0 H ASP A 100 -8.920 -9.374 -8.259 1.00 0.00 H new ATOM 0 HA ASP A 100 -10.039 -10.138 -10.051 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -11.779 -8.398 -9.308 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -11.113 -7.341 -10.537 1.00 0.00 H new ATOM 1591 N GLY A 101 -7.765 -8.330 -10.991 1.00 0.00 N ATOM 1592 CA GLY A 101 -6.858 -7.865 -12.018 1.00 0.00 C ATOM 1593 C GLY A 101 -7.136 -6.423 -12.396 1.00 0.00 C ATOM 1594 O GLY A 101 -6.470 -5.855 -13.264 1.00 0.00 O ATOM 0 H GLY A 101 -7.384 -8.312 -10.045 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.831 -7.958 -11.666 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -6.951 -8.498 -12.901 1.00 0.00 H new ATOM 1598 N LYS A 102 -8.123 -5.829 -11.737 1.00 0.00 N ATOM 1599 CA LYS A 102 -8.524 -4.466 -12.034 1.00 0.00 C ATOM 1600 C LYS A 102 -8.155 -3.524 -10.897 1.00 0.00 C ATOM 1601 O LYS A 102 -8.105 -3.926 -9.733 1.00 0.00 O ATOM 1602 CB LYS A 102 -10.032 -4.403 -12.269 1.00 0.00 C ATOM 1603 CG LYS A 102 -10.508 -5.231 -13.448 1.00 0.00 C ATOM 1604 CD LYS A 102 -9.893 -4.751 -14.750 1.00 0.00 C ATOM 1605 CE LYS A 102 -10.492 -5.470 -15.946 1.00 0.00 C ATOM 1606 NZ LYS A 102 -11.964 -5.267 -16.036 1.00 0.00 N ATOM 0 H LYS A 102 -8.660 -6.274 -10.992 1.00 0.00 H new ATOM 0 HA LYS A 102 -7.996 -4.151 -12.934 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -10.544 -4.743 -11.369 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -10.322 -3.364 -12.427 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -10.250 -6.278 -13.287 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -11.595 -5.178 -13.516 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -10.050 -3.677 -14.854 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -8.816 -4.915 -14.727 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -10.019 -5.110 -16.860 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -10.276 -6.536 -15.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -12.227 -5.064 -17.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -12.453 -6.128 -15.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -12.242 -4.467 -15.432 1.00 0.00 H new ATOM 1620 N LEU A 103 -7.879 -2.274 -11.242 1.00 0.00 N ATOM 1621 CA LEU A 103 -7.725 -1.233 -10.240 1.00 0.00 C ATOM 1622 C LEU A 103 -9.097 -0.905 -9.667 1.00 0.00 C ATOM 1623 O LEU A 103 -9.872 -0.152 -10.260 1.00 0.00 O ATOM 1624 CB LEU A 103 -7.069 0.013 -10.844 1.00 0.00 C ATOM 1625 CG LEU A 103 -6.840 1.169 -9.867 1.00 0.00 C ATOM 1626 CD1 LEU A 103 -6.018 0.710 -8.674 1.00 0.00 C ATOM 1627 CD2 LEU A 103 -6.158 2.335 -10.569 1.00 0.00 C ATOM 0 H LEU A 103 -7.758 -1.959 -12.204 1.00 0.00 H new ATOM 0 HA LEU A 103 -7.072 -1.585 -9.442 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -6.109 -0.274 -11.274 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -7.692 0.370 -11.664 1.00 0.00 H new ATOM 0 HG LEU A 103 -7.811 1.506 -9.503 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -5.867 1.547 -7.992 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -6.546 -0.090 -8.155 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.051 0.343 -9.018 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -6.003 3.147 -9.859 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -5.195 2.010 -10.963 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.786 2.684 -11.388 1.00 0.00 H new ATOM 1639 N ARG A 104 -9.394 -1.501 -8.527 1.00 0.00 N ATOM 1640 CA ARG A 104 -10.736 -1.482 -7.976 1.00 0.00 C ATOM 1641 C ARG A 104 -10.895 -0.389 -6.924 1.00 0.00 C ATOM 1642 O ARG A 104 -11.967 0.197 -6.783 1.00 0.00 O ATOM 1643 CB ARG A 104 -11.045 -2.855 -7.375 1.00 0.00 C ATOM 1644 CG ARG A 104 -12.454 -2.998 -6.824 1.00 0.00 C ATOM 1645 CD ARG A 104 -13.520 -2.794 -7.892 1.00 0.00 C ATOM 1646 NE ARG A 104 -13.390 -3.735 -9.006 1.00 0.00 N ATOM 1647 CZ ARG A 104 -14.006 -4.918 -9.066 1.00 0.00 C ATOM 1648 NH1 ARG A 104 -14.721 -5.355 -8.034 1.00 0.00 N ATOM 1649 NH2 ARG A 104 -13.898 -5.666 -10.160 1.00 0.00 N ATOM 0 H ARG A 104 -8.716 -2.009 -7.960 1.00 0.00 H new ATOM 0 HA ARG A 104 -11.441 -1.261 -8.777 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -10.888 -3.616 -8.139 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -10.333 -3.056 -6.574 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -12.570 -3.988 -6.384 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -12.603 -2.274 -6.023 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -14.506 -2.905 -7.441 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -13.456 -1.775 -8.273 1.00 0.00 H new ATOM 0 HE ARG A 104 -12.790 -3.470 -9.787 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -14.801 -4.786 -7.191 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -15.190 -6.259 -8.085 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -13.345 -5.336 -10.951 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -14.368 -6.570 -10.208 1.00 0.00 H new ATOM 1663 N GLY A 105 -9.829 -0.116 -6.189 1.00 0.00 N ATOM 1664 CA GLY A 105 -9.911 0.867 -5.128 1.00 0.00 C ATOM 1665 C GLY A 105 -8.755 1.843 -5.136 1.00 0.00 C ATOM 1666 O GLY A 105 -7.643 1.494 -5.525 1.00 0.00 O ATOM 0 H GLY A 105 -8.915 -0.553 -6.306 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -10.846 1.419 -5.223 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -9.940 0.354 -4.167 1.00 0.00 H new ATOM 1670 N ALA A 106 -9.027 3.069 -4.717 1.00 0.00 N ATOM 1671 CA ALA A 106 -7.999 4.091 -4.579 1.00 0.00 C ATOM 1672 C ALA A 106 -8.287 4.941 -3.348 1.00 0.00 C ATOM 1673 O ALA A 106 -9.134 5.835 -3.385 1.00 0.00 O ATOM 1674 CB ALA A 106 -7.932 4.959 -5.829 1.00 0.00 C ATOM 0 H ALA A 106 -9.963 3.384 -4.463 1.00 0.00 H new ATOM 0 HA ALA A 106 -7.030 3.606 -4.457 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -7.158 5.716 -5.705 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -7.696 4.336 -6.692 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -8.894 5.446 -5.986 1.00 0.00 H new ATOM 1680 N LEU A 107 -7.604 4.643 -2.251 1.00 0.00 N ATOM 1681 CA LEU A 107 -7.888 5.298 -0.980 1.00 0.00 C ATOM 1682 C LEU A 107 -6.705 6.133 -0.506 1.00 0.00 C ATOM 1683 O LEU A 107 -5.550 5.723 -0.628 1.00 0.00 O ATOM 1684 CB LEU A 107 -8.256 4.270 0.101 1.00 0.00 C ATOM 1685 CG LEU A 107 -9.653 3.645 0.000 1.00 0.00 C ATOM 1686 CD1 LEU A 107 -10.727 4.723 -0.046 1.00 0.00 C ATOM 1687 CD2 LEU A 107 -9.761 2.723 -1.206 1.00 0.00 C ATOM 0 H LEU A 107 -6.852 3.955 -2.215 1.00 0.00 H new ATOM 0 HA LEU A 107 -8.738 5.960 -1.146 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -7.520 3.467 0.074 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -8.167 4.751 1.075 1.00 0.00 H new ATOM 0 HG LEU A 107 -9.812 3.043 0.894 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -11.709 4.255 -0.118 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -10.677 5.325 0.861 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -10.565 5.361 -0.915 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -10.763 2.296 -1.249 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.569 3.291 -2.116 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -9.028 1.921 -1.117 1.00 0.00 H new ATOM 1699 N SER A 108 -7.008 7.308 0.026 1.00 0.00 N ATOM 1700 CA SER A 108 -5.998 8.197 0.574 1.00 0.00 C ATOM 1701 C SER A 108 -6.251 8.438 2.063 1.00 0.00 C ATOM 1702 O SER A 108 -5.697 9.365 2.655 1.00 0.00 O ATOM 1703 CB SER A 108 -6.015 9.528 -0.186 1.00 0.00 C ATOM 1704 OG SER A 108 -5.863 9.316 -1.582 1.00 0.00 O ATOM 0 H SER A 108 -7.959 7.670 0.089 1.00 0.00 H new ATOM 0 HA SER A 108 -5.019 7.732 0.461 1.00 0.00 H new ATOM 0 HB2 SER A 108 -6.952 10.050 0.007 1.00 0.00 H new ATOM 0 HB3 SER A 108 -5.213 10.170 0.178 1.00 0.00 H new ATOM 0 HG SER A 108 -5.878 10.178 -2.047 1.00 0.00 H new ATOM 1710 N GLY A 109 -7.081 7.587 2.661 1.00 0.00 N ATOM 1711 CA GLY A 109 -7.433 7.741 4.062 1.00 0.00 C ATOM 1712 C GLY A 109 -6.269 7.457 4.994 1.00 0.00 C ATOM 1713 O GLY A 109 -5.245 6.921 4.572 1.00 0.00 O ATOM 0 H GLY A 109 -7.518 6.790 2.198 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -7.790 8.756 4.233 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -8.257 7.069 4.301 1.00 0.00 H new ATOM 1717 N ILE A 110 -6.427 7.824 6.262 1.00 0.00 N ATOM 1718 CA ILE A 110 -5.379 7.625 7.258 1.00 0.00 C ATOM 1719 C ILE A 110 -5.605 6.312 8.005 1.00 0.00 C ATOM 1720 O ILE A 110 -4.916 5.324 7.767 1.00 0.00 O ATOM 1721 CB ILE A 110 -5.308 8.788 8.285 1.00 0.00 C ATOM 1722 CG1 ILE A 110 -5.110 10.141 7.590 1.00 0.00 C ATOM 1723 CG2 ILE A 110 -4.175 8.550 9.275 1.00 0.00 C ATOM 1724 CD1 ILE A 110 -6.379 10.738 7.014 1.00 0.00 C ATOM 0 H ILE A 110 -7.273 8.262 6.625 1.00 0.00 H new ATOM 0 HA ILE A 110 -4.432 7.596 6.718 1.00 0.00 H new ATOM 0 HB ILE A 110 -6.258 8.814 8.818 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -4.683 10.845 8.305 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -4.382 10.021 6.788 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -4.137 9.373 9.989 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -4.348 7.615 9.808 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -3.228 8.492 8.738 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -6.150 11.693 6.541 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -6.797 10.057 6.273 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -7.103 10.894 7.813 1.00 0.00 H new ATOM 1736 N HIS A 111 -6.580 6.307 8.906 1.00 0.00 N ATOM 1737 CA HIS A 111 -6.927 5.102 9.652 1.00 0.00 C ATOM 1738 C HIS A 111 -8.427 5.100 9.974 1.00 0.00 C ATOM 1739 O HIS A 111 -9.108 4.105 9.733 1.00 0.00 O ATOM 1740 CB HIS A 111 -6.088 4.973 10.931 1.00 0.00 C ATOM 1741 CG HIS A 111 -5.965 3.563 11.437 1.00 0.00 C ATOM 1742 ND1 HIS A 111 -4.771 3.018 11.858 1.00 0.00 N ATOM 1743 CD2 HIS A 111 -6.891 2.582 11.584 1.00 0.00 C ATOM 1744 CE1 HIS A 111 -4.965 1.768 12.239 1.00 0.00 C ATOM 1745 NE2 HIS A 111 -6.244 1.480 12.085 1.00 0.00 N ATOM 0 H HIS A 111 -7.145 7.124 9.138 1.00 0.00 H new ATOM 0 HA HIS A 111 -6.701 4.236 9.030 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -5.090 5.369 10.741 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -6.534 5.591 11.710 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -7.943 2.655 11.350 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -4.206 1.096 12.613 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -6.680 0.584 12.303 1.00 0.00 H new ATOM 1754 N PRO A 112 -8.980 6.203 10.528 1.00 0.00 N ATOM 1755 CA PRO A 112 -10.431 6.372 10.647 1.00 0.00 C ATOM 1756 C PRO A 112 -11.036 6.784 9.303 1.00 0.00 C ATOM 1757 O PRO A 112 -11.657 7.840 9.183 1.00 0.00 O ATOM 1758 CB PRO A 112 -10.592 7.500 11.682 1.00 0.00 C ATOM 1759 CG PRO A 112 -9.218 7.774 12.206 1.00 0.00 C ATOM 1760 CD PRO A 112 -8.273 7.344 11.126 1.00 0.00 C ATOM 0 HA PRO A 112 -10.938 5.454 10.944 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -11.021 8.392 11.225 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -11.264 7.200 12.486 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -9.092 8.832 12.437 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -9.034 7.222 13.128 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -8.096 8.138 10.401 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -7.301 7.056 11.527 1.00 0.00 H new ATOM 1768 N TRP A 113 -10.836 5.939 8.297 1.00 0.00 N ATOM 1769 CA TRP A 113 -11.226 6.252 6.927 1.00 0.00 C ATOM 1770 C TRP A 113 -12.742 6.241 6.738 1.00 0.00 C ATOM 1771 O TRP A 113 -13.270 7.054 5.980 1.00 0.00 O ATOM 1772 CB TRP A 113 -10.554 5.280 5.947 1.00 0.00 C ATOM 1773 CG TRP A 113 -10.628 3.837 6.362 1.00 0.00 C ATOM 1774 CD1 TRP A 113 -11.739 3.042 6.395 1.00 0.00 C ATOM 1775 CD2 TRP A 113 -9.538 3.016 6.796 1.00 0.00 C ATOM 1776 NE1 TRP A 113 -11.408 1.783 6.828 1.00 0.00 N ATOM 1777 CE2 TRP A 113 -10.064 1.741 7.079 1.00 0.00 C ATOM 1778 CE3 TRP A 113 -8.170 3.234 6.973 1.00 0.00 C ATOM 1779 CZ2 TRP A 113 -9.270 0.691 7.526 1.00 0.00 C ATOM 1780 CZ3 TRP A 113 -7.383 2.190 7.421 1.00 0.00 C ATOM 1781 CH2 TRP A 113 -7.934 0.933 7.693 1.00 0.00 C ATOM 0 H TRP A 113 -10.401 5.023 8.407 1.00 0.00 H new ATOM 0 HA TRP A 113 -10.885 7.266 6.717 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -11.020 5.389 4.968 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -9.507 5.561 5.835 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -12.734 3.359 6.120 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -12.058 1.005 6.944 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -7.735 4.200 6.764 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -9.693 -0.281 7.734 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -6.324 2.347 7.564 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -7.292 0.138 8.042 1.00 0.00 H new ATOM 1792 N ALA A 114 -13.420 5.312 7.420 1.00 0.00 N ATOM 1793 CA ALA A 114 -14.880 5.153 7.335 1.00 0.00 C ATOM 1794 C ALA A 114 -15.335 4.638 5.962 1.00 0.00 C ATOM 1795 O ALA A 114 -16.019 3.620 5.876 1.00 0.00 O ATOM 1796 CB ALA A 114 -15.595 6.454 7.682 1.00 0.00 C ATOM 0 H ALA A 114 -12.972 4.646 8.049 1.00 0.00 H new ATOM 0 HA ALA A 114 -15.154 4.397 8.070 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -16.673 6.307 7.611 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -15.336 6.752 8.698 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -15.289 7.235 6.986 1.00 0.00 H new ATOM 1802 N GLU A 115 -14.934 5.330 4.899 1.00 0.00 N ATOM 1803 CA GLU A 115 -15.385 5.031 3.540 1.00 0.00 C ATOM 1804 C GLU A 115 -15.173 3.567 3.160 1.00 0.00 C ATOM 1805 O GLU A 115 -16.045 2.953 2.548 1.00 0.00 O ATOM 1806 CB GLU A 115 -14.656 5.924 2.540 1.00 0.00 C ATOM 1807 CG GLU A 115 -14.893 7.405 2.767 1.00 0.00 C ATOM 1808 CD GLU A 115 -14.143 8.270 1.779 1.00 0.00 C ATOM 1809 OE1 GLU A 115 -12.959 8.579 2.032 1.00 0.00 O ATOM 1810 OE2 GLU A 115 -14.738 8.654 0.747 1.00 0.00 O ATOM 0 H GLU A 115 -14.286 6.116 4.954 1.00 0.00 H new ATOM 0 HA GLU A 115 -16.457 5.227 3.511 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -13.586 5.722 2.597 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -14.976 5.663 1.531 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -15.960 7.615 2.692 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -14.587 7.667 3.780 1.00 0.00 H new ATOM 1817 N LEU A 116 -14.021 3.012 3.527 1.00 0.00 N ATOM 1818 CA LEU A 116 -13.690 1.634 3.171 1.00 0.00 C ATOM 1819 C LEU A 116 -14.736 0.644 3.668 1.00 0.00 C ATOM 1820 O LEU A 116 -14.996 -0.356 3.006 1.00 0.00 O ATOM 1821 CB LEU A 116 -12.310 1.239 3.697 1.00 0.00 C ATOM 1822 CG LEU A 116 -11.143 1.581 2.773 1.00 0.00 C ATOM 1823 CD1 LEU A 116 -9.819 1.264 3.445 1.00 0.00 C ATOM 1824 CD2 LEU A 116 -11.268 0.815 1.466 1.00 0.00 C ATOM 0 H LEU A 116 -13.303 3.493 4.069 1.00 0.00 H new ATOM 0 HA LEU A 116 -13.678 1.592 2.082 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -12.150 1.730 4.657 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -12.303 0.165 3.884 1.00 0.00 H new ATOM 0 HG LEU A 116 -11.172 2.649 2.559 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -9.000 1.514 2.771 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -9.727 1.848 4.361 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -9.779 0.202 3.686 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -10.431 1.067 0.815 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -11.260 -0.256 1.670 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -12.203 1.084 0.975 1.00 0.00 H new ATOM 1836 N LEU A 117 -15.349 0.937 4.812 1.00 0.00 N ATOM 1837 CA LEU A 117 -16.362 0.051 5.388 1.00 0.00 C ATOM 1838 C LEU A 117 -17.534 -0.120 4.429 1.00 0.00 C ATOM 1839 O LEU A 117 -18.110 -1.201 4.325 1.00 0.00 O ATOM 1840 CB LEU A 117 -16.865 0.583 6.741 1.00 0.00 C ATOM 1841 CG LEU A 117 -15.931 0.364 7.942 1.00 0.00 C ATOM 1842 CD1 LEU A 117 -15.578 -1.110 8.086 1.00 0.00 C ATOM 1843 CD2 LEU A 117 -14.671 1.207 7.818 1.00 0.00 C ATOM 0 H LEU A 117 -15.164 1.778 5.359 1.00 0.00 H new ATOM 0 HA LEU A 117 -15.895 -0.920 5.554 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -17.051 1.652 6.642 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -17.823 0.112 6.961 1.00 0.00 H new ATOM 0 HG LEU A 117 -16.460 0.681 8.840 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -14.916 -1.244 8.942 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -16.489 -1.689 8.238 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -15.076 -1.454 7.182 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -14.029 1.031 8.681 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -14.138 0.933 6.908 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -14.942 2.262 7.776 1.00 0.00 H new ATOM 1855 N THR A 118 -17.872 0.948 3.723 1.00 0.00 N ATOM 1856 CA THR A 118 -18.946 0.911 2.745 1.00 0.00 C ATOM 1857 C THR A 118 -18.427 0.461 1.376 1.00 0.00 C ATOM 1858 O THR A 118 -19.098 -0.282 0.652 1.00 0.00 O ATOM 1859 CB THR A 118 -19.614 2.297 2.613 1.00 0.00 C ATOM 1860 OG1 THR A 118 -19.938 2.798 3.917 1.00 0.00 O ATOM 1861 CG2 THR A 118 -20.880 2.220 1.773 1.00 0.00 C ATOM 0 H THR A 118 -17.415 1.855 3.811 1.00 0.00 H new ATOM 0 HA THR A 118 -19.685 0.191 3.096 1.00 0.00 H new ATOM 0 HB THR A 118 -18.913 2.968 2.117 1.00 0.00 H new ATOM 0 HG1 THR A 118 -20.360 3.678 3.834 1.00 0.00 H new ATOM 0 HG21 THR A 118 -21.328 3.211 1.698 1.00 0.00 H new ATOM 0 HG22 THR A 118 -20.633 1.857 0.775 1.00 0.00 H new ATOM 0 HG23 THR A 118 -21.587 1.537 2.243 1.00 0.00 H new ATOM 1869 N LEU A 119 -17.215 0.894 1.036 1.00 0.00 N ATOM 1870 CA LEU A 119 -16.650 0.625 -0.280 1.00 0.00 C ATOM 1871 C LEU A 119 -16.316 -0.850 -0.467 1.00 0.00 C ATOM 1872 O LEU A 119 -16.747 -1.463 -1.442 1.00 0.00 O ATOM 1873 CB LEU A 119 -15.396 1.475 -0.509 1.00 0.00 C ATOM 1874 CG LEU A 119 -15.629 2.988 -0.536 1.00 0.00 C ATOM 1875 CD1 LEU A 119 -14.321 3.726 -0.774 1.00 0.00 C ATOM 1876 CD2 LEU A 119 -16.649 3.352 -1.606 1.00 0.00 C ATOM 0 H LEU A 119 -16.608 1.432 1.654 1.00 0.00 H new ATOM 0 HA LEU A 119 -17.408 0.892 -1.016 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -14.675 1.249 0.276 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -14.942 1.177 -1.454 1.00 0.00 H new ATOM 0 HG LEU A 119 -16.023 3.292 0.434 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -14.507 4.800 -0.790 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -13.620 3.491 0.027 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -13.897 3.417 -1.730 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -16.802 4.431 -1.611 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -16.282 3.033 -2.582 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -17.594 2.852 -1.393 1.00 0.00 H new ATOM 1888 N MET A 120 -15.585 -1.438 0.475 1.00 0.00 N ATOM 1889 CA MET A 120 -15.175 -2.833 0.336 1.00 0.00 C ATOM 1890 C MET A 120 -16.377 -3.749 0.518 1.00 0.00 C ATOM 1891 O MET A 120 -16.433 -4.837 -0.045 1.00 0.00 O ATOM 1892 CB MET A 120 -14.041 -3.192 1.316 1.00 0.00 C ATOM 1893 CG MET A 120 -14.431 -3.228 2.791 1.00 0.00 C ATOM 1894 SD MET A 120 -15.209 -4.779 3.294 1.00 0.00 S ATOM 1895 CE MET A 120 -15.506 -4.455 5.027 1.00 0.00 C ATOM 0 H MET A 120 -15.268 -0.980 1.330 1.00 0.00 H new ATOM 0 HA MET A 120 -14.779 -2.975 -0.670 1.00 0.00 H new ATOM 0 HB2 MET A 120 -13.642 -4.168 1.040 1.00 0.00 H new ATOM 0 HB3 MET A 120 -13.234 -2.471 1.190 1.00 0.00 H new ATOM 0 HG2 MET A 120 -13.541 -3.064 3.398 1.00 0.00 H new ATOM 0 HG3 MET A 120 -15.114 -2.404 2.998 1.00 0.00 H new ATOM 0 HE1 MET A 120 -15.984 -5.322 5.482 1.00 0.00 H new ATOM 0 HE2 MET A 120 -14.558 -4.259 5.528 1.00 0.00 H new ATOM 0 HE3 MET A 120 -16.157 -3.586 5.128 1.00 0.00 H new ATOM 1905 N ARG A 121 -17.350 -3.266 1.280 1.00 0.00 N ATOM 1906 CA ARG A 121 -18.589 -3.989 1.525 1.00 0.00 C ATOM 1907 C ARG A 121 -19.269 -4.328 0.199 1.00 0.00 C ATOM 1908 O ARG A 121 -19.766 -5.436 -0.003 1.00 0.00 O ATOM 1909 CB ARG A 121 -19.511 -3.109 2.368 1.00 0.00 C ATOM 1910 CG ARG A 121 -20.567 -3.861 3.152 1.00 0.00 C ATOM 1911 CD ARG A 121 -21.458 -2.882 3.894 1.00 0.00 C ATOM 1912 NE ARG A 121 -22.183 -3.501 4.996 1.00 0.00 N ATOM 1913 CZ ARG A 121 -23.387 -3.110 5.402 1.00 0.00 C ATOM 1914 NH1 ARG A 121 -24.051 -2.172 4.733 1.00 0.00 N ATOM 1915 NH2 ARG A 121 -23.940 -3.672 6.468 1.00 0.00 N ATOM 0 H ARG A 121 -17.301 -2.360 1.746 1.00 0.00 H new ATOM 0 HA ARG A 121 -18.374 -4.918 2.054 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -18.902 -2.533 3.065 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -20.007 -2.394 1.712 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -21.167 -4.472 2.477 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -20.092 -4.541 3.859 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -20.849 -2.064 4.280 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -22.172 -2.446 3.195 1.00 0.00 H new ATOM 0 HE ARG A 121 -21.741 -4.280 5.484 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -23.637 -1.748 3.903 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -24.974 -1.877 5.050 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -23.442 -4.403 6.975 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -24.864 -3.373 6.781 1.00 0.00 H new ATOM 1929 N SER A 122 -19.288 -3.346 -0.690 1.00 0.00 N ATOM 1930 CA SER A 122 -19.861 -3.481 -2.003 1.00 0.00 C ATOM 1931 C SER A 122 -18.940 -4.267 -2.948 1.00 0.00 C ATOM 1932 O SER A 122 -19.407 -4.946 -3.862 1.00 0.00 O ATOM 1933 CB SER A 122 -20.109 -2.079 -2.542 1.00 0.00 C ATOM 1934 OG SER A 122 -20.792 -1.277 -1.585 1.00 0.00 O ATOM 0 H SER A 122 -18.897 -2.422 -0.508 1.00 0.00 H new ATOM 0 HA SER A 122 -20.793 -4.043 -1.940 1.00 0.00 H new ATOM 0 HB2 SER A 122 -19.159 -1.612 -2.801 1.00 0.00 H new ATOM 0 HB3 SER A 122 -20.696 -2.137 -3.459 1.00 0.00 H new ATOM 0 HG SER A 122 -20.152 -0.943 -0.922 1.00 0.00 H new ATOM 1940 N ILE A 123 -17.634 -4.164 -2.722 1.00 0.00 N ATOM 1941 CA ILE A 123 -16.648 -4.716 -3.651 1.00 0.00 C ATOM 1942 C ILE A 123 -16.334 -6.190 -3.379 1.00 0.00 C ATOM 1943 O ILE A 123 -16.376 -7.017 -4.290 1.00 0.00 O ATOM 1944 CB ILE A 123 -15.337 -3.903 -3.598 1.00 0.00 C ATOM 1945 CG1 ILE A 123 -15.571 -2.482 -4.119 1.00 0.00 C ATOM 1946 CG2 ILE A 123 -14.237 -4.592 -4.396 1.00 0.00 C ATOM 1947 CD1 ILE A 123 -14.365 -1.572 -3.981 1.00 0.00 C ATOM 0 H ILE A 123 -17.232 -3.704 -1.905 1.00 0.00 H new ATOM 0 HA ILE A 123 -17.094 -4.648 -4.643 1.00 0.00 H new ATOM 0 HB ILE A 123 -15.013 -3.844 -2.559 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -15.857 -2.533 -5.169 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -16.410 -2.041 -3.581 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -13.324 -4.000 -4.343 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -14.052 -5.582 -3.980 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -14.548 -4.688 -5.436 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -14.608 -0.584 -4.371 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -14.090 -1.489 -2.929 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -13.529 -1.988 -4.543 1.00 0.00 H new ATOM 1959 N VAL A 124 -16.030 -6.523 -2.134 1.00 0.00 N ATOM 1960 CA VAL A 124 -15.618 -7.874 -1.798 1.00 0.00 C ATOM 1961 C VAL A 124 -16.746 -8.594 -1.072 1.00 0.00 C ATOM 1962 O VAL A 124 -16.680 -8.870 0.128 1.00 0.00 O ATOM 1963 CB VAL A 124 -14.297 -7.913 -0.977 1.00 0.00 C ATOM 1964 CG1 VAL A 124 -13.129 -7.481 -1.846 1.00 0.00 C ATOM 1965 CG2 VAL A 124 -14.377 -7.037 0.265 1.00 0.00 C ATOM 0 H VAL A 124 -16.061 -5.879 -1.344 1.00 0.00 H new ATOM 0 HA VAL A 124 -15.406 -8.396 -2.731 1.00 0.00 H new ATOM 0 HB VAL A 124 -14.143 -8.941 -0.647 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -12.210 -7.512 -1.261 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -13.040 -8.155 -2.698 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -13.298 -6.465 -2.203 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -13.435 -7.092 0.810 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -14.566 -6.005 -0.029 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -15.187 -7.386 0.905 1.00 0.00 H new ATOM 1975 N ASP A 125 -17.801 -8.854 -1.834 1.00 0.00 N ATOM 1976 CA ASP A 125 -19.005 -9.504 -1.339 1.00 0.00 C ATOM 1977 C ASP A 125 -18.682 -10.789 -0.577 1.00 0.00 C ATOM 1978 O ASP A 125 -19.169 -10.982 0.539 1.00 0.00 O ATOM 1979 CB ASP A 125 -19.956 -9.781 -2.514 1.00 0.00 C ATOM 1980 CG ASP A 125 -19.457 -10.851 -3.470 1.00 0.00 C ATOM 1981 OD1 ASP A 125 -18.400 -10.646 -4.106 1.00 0.00 O ATOM 1982 OD2 ASP A 125 -20.121 -11.907 -3.584 1.00 0.00 O ATOM 0 H ASP A 125 -17.844 -8.616 -2.825 1.00 0.00 H new ATOM 0 HA ASP A 125 -19.495 -8.834 -0.632 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -20.926 -10.083 -2.120 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -20.112 -8.856 -3.069 1.00 0.00 H new