USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 676 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 14 LYS NZ :NH3+ -165:sc=-0.00432 (180deg=-0.0937) USER MOD Set 1.2: A 100 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 80 ASN : amide:sc= -0.097 K(o=-0.91,f=-10!) USER MOD Set 2.2: A 83 MET CE :methyl -168:sc= -0.816 (180deg=-1.17) USER MOD Single : A 16 THR OG1 : rot 48:sc= 0.017 USER MOD Single : A 17 GLN :FLIP amide:sc= -0.465 F(o=-2.6!,f=-0.46) USER MOD Single : A 18 SER OG : rot 29:sc= 0.561 USER MOD Single : A 20 HIS : no HD1:sc= -0.995 X(o=-0.99,f=-0.83) USER MOD Single : A 23 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.246) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 164:sc= 1.21 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.0348 X(o=-0.035,f=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 149:sc= -1.85 (180deg=-3.18!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -143:sc= 0.675 USER MOD Single : A 59 LYS NZ :NH3+ -166:sc=-0.00334 (180deg=-0.11) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 147:sc= -0.678 (180deg=-1.93!) USER MOD Single : A 72 ASN : amide:sc= -0.28 K(o=-0.28,f=-4.6!) USER MOD Single : A 73 ASN : amide:sc= -0.54 X(o=-0.54,f=-0.083) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.0539 K(o=-0.054,f=-1.8!) USER MOD Single : A 92 SER OG : rot 21:sc= 0.154 USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.0791 USER MOD ----------------------------------------------------------------- ATOM 159 N LYS A 14 -17.840 -4.595 -13.354 1.00 0.00 N ATOM 160 CA LYS A 14 -16.694 -3.756 -13.027 1.00 0.00 C ATOM 161 C LYS A 14 -15.568 -3.954 -14.037 1.00 0.00 C ATOM 162 O LYS A 14 -15.261 -5.081 -14.427 1.00 0.00 O ATOM 163 CB LYS A 14 -16.189 -4.073 -11.617 1.00 0.00 C ATOM 164 CG LYS A 14 -17.135 -3.623 -10.517 1.00 0.00 C ATOM 165 CD LYS A 14 -16.846 -2.196 -10.082 1.00 0.00 C ATOM 166 CE LYS A 14 -15.811 -2.152 -8.968 1.00 0.00 C ATOM 167 NZ LYS A 14 -16.378 -2.601 -7.667 1.00 0.00 N ATOM 0 HA LYS A 14 -17.015 -2.715 -13.066 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -16.029 -5.148 -11.530 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -15.221 -3.594 -11.471 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -18.164 -3.696 -10.869 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -17.043 -4.291 -9.661 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -16.488 -1.620 -10.935 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -17.768 -1.724 -9.742 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -14.965 -2.785 -9.233 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -15.429 -1.136 -8.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -15.739 -2.323 -6.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -17.308 -2.159 -7.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -16.484 -3.636 -7.673 1.00 0.00 H new ATOM 181 N VAL A 15 -14.956 -2.851 -14.458 1.00 0.00 N ATOM 182 CA VAL A 15 -13.863 -2.904 -15.421 1.00 0.00 C ATOM 183 C VAL A 15 -12.534 -2.549 -14.764 1.00 0.00 C ATOM 184 O VAL A 15 -12.488 -1.775 -13.807 1.00 0.00 O ATOM 185 CB VAL A 15 -14.110 -1.949 -16.604 1.00 0.00 C ATOM 186 CG1 VAL A 15 -15.331 -2.387 -17.398 1.00 0.00 C ATOM 187 CG2 VAL A 15 -14.271 -0.520 -16.108 1.00 0.00 C ATOM 0 H VAL A 15 -15.199 -1.910 -14.147 1.00 0.00 H new ATOM 0 HA VAL A 15 -13.819 -3.927 -15.793 1.00 0.00 H new ATOM 0 HB VAL A 15 -13.245 -1.985 -17.266 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -15.490 -1.700 -18.230 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -15.172 -3.394 -17.784 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -16.208 -2.381 -16.750 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -14.445 0.142 -16.956 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -15.119 -0.465 -15.425 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -13.365 -0.212 -15.587 1.00 0.00 H new ATOM 197 N THR A 16 -11.451 -3.120 -15.285 1.00 0.00 N ATOM 198 CA THR A 16 -10.120 -2.864 -14.749 1.00 0.00 C ATOM 199 C THR A 16 -9.480 -1.655 -15.421 1.00 0.00 C ATOM 200 O THR A 16 -9.476 -1.546 -16.646 1.00 0.00 O ATOM 201 CB THR A 16 -9.199 -4.085 -14.928 1.00 0.00 C ATOM 202 OG1 THR A 16 -9.343 -4.618 -16.249 1.00 0.00 O ATOM 203 CG2 THR A 16 -9.522 -5.162 -13.903 1.00 0.00 C ATOM 0 H THR A 16 -11.470 -3.762 -16.077 1.00 0.00 H new ATOM 0 HA THR A 16 -10.241 -2.662 -13.685 1.00 0.00 H new ATOM 0 HB THR A 16 -8.169 -3.760 -14.778 1.00 0.00 H new ATOM 0 HG1 THR A 16 -9.298 -3.889 -16.903 1.00 0.00 H new ATOM 0 HG21 THR A 16 -8.859 -6.014 -14.049 1.00 0.00 H new ATOM 0 HG22 THR A 16 -9.383 -4.762 -12.899 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.557 -5.482 -14.026 1.00 0.00 H new ATOM 211 N GLN A 17 -8.938 -0.751 -14.611 1.00 0.00 N ATOM 212 CA GLN A 17 -8.294 0.450 -15.129 1.00 0.00 C ATOM 213 C GLN A 17 -6.881 0.592 -14.574 1.00 0.00 C ATOM 214 O GLN A 17 -6.679 0.615 -13.360 1.00 0.00 O ATOM 215 CB GLN A 17 -9.120 1.689 -14.777 1.00 0.00 C ATOM 216 CG GLN A 17 -9.099 2.034 -13.297 1.00 0.00 C ATOM 217 CD GLN A 17 -10.044 3.167 -12.949 1.00 0.00 C ATOM 218 OE1 GLN A 17 -10.721 3.046 -11.813 1.00 0.00 O flip ATOM 219 NE2 GLN A 17 -10.164 4.141 -13.692 1.00 0.00 N flip ATOM 0 H GLN A 17 -8.932 -0.828 -13.594 1.00 0.00 H new ATOM 0 HA GLN A 17 -8.231 0.360 -16.213 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.744 2.540 -15.345 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -10.152 1.528 -15.089 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.368 1.151 -12.718 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.085 2.309 -13.006 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -9.624 4.193 -14.556 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -10.803 4.896 -13.444 1.00 0.00 H new ATOM 228 N SER A 18 -5.905 0.688 -15.471 1.00 0.00 N ATOM 229 CA SER A 18 -4.510 0.824 -15.072 1.00 0.00 C ATOM 230 C SER A 18 -4.158 2.286 -14.815 1.00 0.00 C ATOM 231 O SER A 18 -4.316 3.137 -15.692 1.00 0.00 O ATOM 232 CB SER A 18 -3.590 0.248 -16.150 1.00 0.00 C ATOM 233 OG SER A 18 -3.597 1.058 -17.313 1.00 0.00 O ATOM 0 H SER A 18 -6.055 0.674 -16.480 1.00 0.00 H new ATOM 0 HA SER A 18 -4.367 0.266 -14.147 1.00 0.00 H new ATOM 0 HB2 SER A 18 -2.574 0.171 -15.763 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.911 -0.762 -16.405 1.00 0.00 H new ATOM 0 HG SER A 18 -3.781 1.988 -17.063 1.00 0.00 H new ATOM 239 N ILE A 19 -3.680 2.571 -13.608 1.00 0.00 N ATOM 240 CA ILE A 19 -3.305 3.929 -13.236 1.00 0.00 C ATOM 241 C ILE A 19 -1.849 3.994 -12.788 1.00 0.00 C ATOM 242 O ILE A 19 -1.516 3.607 -11.667 1.00 0.00 O ATOM 243 CB ILE A 19 -4.203 4.472 -12.109 1.00 0.00 C ATOM 244 CG1 ILE A 19 -5.672 4.439 -12.536 1.00 0.00 C ATOM 245 CG2 ILE A 19 -3.786 5.887 -11.736 1.00 0.00 C ATOM 246 CD1 ILE A 19 -6.638 4.385 -11.373 1.00 0.00 C ATOM 0 H ILE A 19 -3.543 1.879 -12.871 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.437 4.548 -14.124 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.085 3.836 -11.232 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.888 5.323 -13.136 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.837 3.572 -13.175 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.430 6.258 -10.938 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.751 5.883 -11.395 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.878 6.535 -12.607 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.661 4.364 -11.750 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.449 3.487 -10.785 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -6.501 5.265 -10.745 1.00 0.00 H new ATOM 258 N HIS A 20 -0.985 4.488 -13.670 1.00 0.00 N ATOM 259 CA HIS A 20 0.436 4.606 -13.363 1.00 0.00 C ATOM 260 C HIS A 20 0.781 6.026 -12.927 1.00 0.00 C ATOM 261 O HIS A 20 0.615 6.978 -13.690 1.00 0.00 O ATOM 262 CB HIS A 20 1.275 4.216 -14.581 1.00 0.00 C ATOM 263 CG HIS A 20 1.231 5.225 -15.686 1.00 0.00 C ATOM 264 ND1 HIS A 20 0.214 5.279 -16.616 1.00 0.00 N ATOM 265 CD2 HIS A 20 2.086 6.224 -16.008 1.00 0.00 C ATOM 266 CE1 HIS A 20 0.447 6.267 -17.462 1.00 0.00 C ATOM 267 NE2 HIS A 20 1.576 6.856 -17.115 1.00 0.00 N ATOM 0 H HIS A 20 -1.244 4.813 -14.602 1.00 0.00 H new ATOM 0 HA HIS A 20 0.663 3.927 -12.541 1.00 0.00 H new ATOM 0 HB2 HIS A 20 2.310 4.076 -14.269 1.00 0.00 H new ATOM 0 HB3 HIS A 20 0.924 3.257 -14.962 1.00 0.00 H new ATOM 0 HD2 HIS A 20 2.999 6.477 -15.490 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -0.180 6.545 -18.296 1.00 0.00 H new ATOM 0 HE2 HIS A 20 2.001 7.651 -17.592 1.00 0.00 H new ATOM 276 N ILE A 21 1.261 6.161 -11.695 1.00 0.00 N ATOM 277 CA ILE A 21 1.629 7.465 -11.157 1.00 0.00 C ATOM 278 C ILE A 21 3.133 7.696 -11.256 1.00 0.00 C ATOM 279 O ILE A 21 3.928 6.841 -10.868 1.00 0.00 O ATOM 280 CB ILE A 21 1.194 7.611 -9.687 1.00 0.00 C ATOM 281 CG1 ILE A 21 -0.222 7.064 -9.494 1.00 0.00 C ATOM 282 CG2 ILE A 21 1.269 9.068 -9.255 1.00 0.00 C ATOM 283 CD1 ILE A 21 -0.520 6.647 -8.071 1.00 0.00 C ATOM 0 H ILE A 21 1.404 5.383 -11.051 1.00 0.00 H new ATOM 0 HA ILE A 21 1.109 8.212 -11.757 1.00 0.00 H new ATOM 0 HB ILE A 21 1.874 7.032 -9.063 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.941 7.824 -9.799 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.365 6.207 -10.153 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.959 9.155 -8.214 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.293 9.426 -9.360 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.609 9.668 -9.882 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.541 6.270 -8.009 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.176 5.864 -7.768 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.410 7.506 -7.409 1.00 0.00 H new ATOM 295 N GLU A 22 3.515 8.857 -11.777 1.00 0.00 N ATOM 296 CA GLU A 22 4.925 9.200 -11.926 1.00 0.00 C ATOM 297 C GLU A 22 5.257 10.478 -11.161 1.00 0.00 C ATOM 298 O GLU A 22 4.593 11.503 -11.322 1.00 0.00 O ATOM 299 CB GLU A 22 5.277 9.371 -13.405 1.00 0.00 C ATOM 300 CG GLU A 22 6.717 9.012 -13.733 1.00 0.00 C ATOM 301 CD GLU A 22 7.238 9.746 -14.954 1.00 0.00 C ATOM 302 OE1 GLU A 22 7.478 10.967 -14.853 1.00 0.00 O ATOM 303 OE2 GLU A 22 7.405 9.099 -16.009 1.00 0.00 O ATOM 0 H GLU A 22 2.869 9.576 -12.103 1.00 0.00 H new ATOM 0 HA GLU A 22 5.518 8.385 -11.511 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.611 8.749 -14.003 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.094 10.405 -13.696 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.350 9.245 -12.876 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.790 7.938 -13.901 1.00 0.00 H new ATOM 310 N LYS A 23 6.290 10.410 -10.328 1.00 0.00 N ATOM 311 CA LYS A 23 6.713 11.560 -9.538 1.00 0.00 C ATOM 312 C LYS A 23 7.691 12.429 -10.322 1.00 0.00 C ATOM 313 O LYS A 23 8.318 11.969 -11.276 1.00 0.00 O ATOM 314 CB LYS A 23 7.361 11.096 -8.231 1.00 0.00 C ATOM 315 CG LYS A 23 6.359 10.762 -7.140 1.00 0.00 C ATOM 316 CD LYS A 23 6.015 11.985 -6.305 1.00 0.00 C ATOM 317 CE LYS A 23 4.630 11.868 -5.689 1.00 0.00 C ATOM 318 NZ LYS A 23 4.001 13.201 -5.481 1.00 0.00 N ATOM 0 H LYS A 23 6.850 9.570 -10.183 1.00 0.00 H new ATOM 0 HA LYS A 23 5.830 12.156 -9.307 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.974 10.217 -8.431 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.031 11.876 -7.871 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.451 10.360 -7.589 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.767 9.983 -6.496 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.756 12.108 -5.515 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.063 12.878 -6.929 1.00 0.00 H new ATOM 0 HE2 LYS A 23 3.995 11.264 -6.336 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.700 11.347 -4.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.967 13.097 -5.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.330 13.603 -4.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.266 13.836 -6.261 1.00 0.00 H new ATOM 332 N SER A 24 7.816 13.688 -9.913 1.00 0.00 N ATOM 333 CA SER A 24 8.716 14.622 -10.580 1.00 0.00 C ATOM 334 C SER A 24 10.081 14.640 -9.900 1.00 0.00 C ATOM 335 O SER A 24 11.107 14.393 -10.535 1.00 0.00 O ATOM 336 CB SER A 24 8.116 16.029 -10.580 1.00 0.00 C ATOM 337 OG SER A 24 8.945 16.937 -11.284 1.00 0.00 O ATOM 0 H SER A 24 7.306 14.084 -9.124 1.00 0.00 H new ATOM 0 HA SER A 24 8.846 14.290 -11.610 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.127 16.006 -11.037 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.985 16.372 -9.554 1.00 0.00 H new ATOM 0 HG SER A 24 8.539 17.829 -11.271 1.00 0.00 H new ATOM 343 N ASP A 25 10.086 14.933 -8.604 1.00 0.00 N ATOM 344 CA ASP A 25 11.324 14.983 -7.836 1.00 0.00 C ATOM 345 C ASP A 25 11.191 14.192 -6.538 1.00 0.00 C ATOM 346 O ASP A 25 10.853 14.747 -5.491 1.00 0.00 O ATOM 347 CB ASP A 25 11.701 16.432 -7.527 1.00 0.00 C ATOM 348 CG ASP A 25 13.198 16.625 -7.389 1.00 0.00 C ATOM 349 OD1 ASP A 25 13.771 16.129 -6.396 1.00 0.00 O ATOM 350 OD2 ASP A 25 13.798 17.271 -8.274 1.00 0.00 O ATOM 0 H ASP A 25 9.246 15.139 -8.063 1.00 0.00 H new ATOM 0 HA ASP A 25 12.113 14.531 -8.437 1.00 0.00 H new ATOM 0 HB2 ASP A 25 11.326 17.079 -8.320 1.00 0.00 H new ATOM 0 HB3 ASP A 25 11.211 16.743 -6.604 1.00 0.00 H new ATOM 355 N THR A 26 11.456 12.891 -6.613 1.00 0.00 N ATOM 356 CA THR A 26 11.363 12.024 -5.445 1.00 0.00 C ATOM 357 C THR A 26 11.914 12.714 -4.202 1.00 0.00 C ATOM 358 O THR A 26 11.268 12.735 -3.155 1.00 0.00 O ATOM 359 CB THR A 26 12.125 10.703 -5.665 1.00 0.00 C ATOM 360 OG1 THR A 26 13.443 10.973 -6.155 1.00 0.00 O ATOM 361 CG2 THR A 26 11.386 9.810 -6.650 1.00 0.00 C ATOM 0 H THR A 26 11.737 12.415 -7.470 1.00 0.00 H new ATOM 0 HA THR A 26 10.305 11.806 -5.297 1.00 0.00 H new ATOM 0 HB THR A 26 12.193 10.185 -4.708 1.00 0.00 H new ATOM 0 HG1 THR A 26 13.921 10.128 -6.290 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.943 8.883 -6.790 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.394 9.582 -6.261 1.00 0.00 H new ATOM 0 HG23 THR A 26 11.291 10.324 -7.607 1.00 0.00 H new ATOM 369 N ALA A 27 13.111 13.278 -4.325 1.00 0.00 N ATOM 370 CA ALA A 27 13.747 13.971 -3.212 1.00 0.00 C ATOM 371 C ALA A 27 12.712 14.672 -2.338 1.00 0.00 C ATOM 372 O ALA A 27 12.620 14.412 -1.139 1.00 0.00 O ATOM 373 CB ALA A 27 14.769 14.973 -3.729 1.00 0.00 C ATOM 0 H ALA A 27 13.660 13.268 -5.185 1.00 0.00 H new ATOM 0 HA ALA A 27 14.259 13.229 -2.599 1.00 0.00 H new ATOM 0 HB1 ALA A 27 15.236 15.483 -2.887 1.00 0.00 H new ATOM 0 HB2 ALA A 27 15.532 14.450 -4.305 1.00 0.00 H new ATOM 0 HB3 ALA A 27 14.271 15.704 -4.366 1.00 0.00 H new ATOM 379 N ALA A 28 11.934 15.561 -2.948 1.00 0.00 N ATOM 380 CA ALA A 28 10.905 16.298 -2.225 1.00 0.00 C ATOM 381 C ALA A 28 9.520 15.726 -2.508 1.00 0.00 C ATOM 382 O ALA A 28 8.788 15.363 -1.587 1.00 0.00 O ATOM 383 CB ALA A 28 10.954 17.773 -2.594 1.00 0.00 C ATOM 0 H ALA A 28 11.997 15.788 -3.940 1.00 0.00 H new ATOM 0 HA ALA A 28 11.101 16.195 -1.158 1.00 0.00 H new ATOM 0 HB1 ALA A 28 10.180 18.311 -2.047 1.00 0.00 H new ATOM 0 HB2 ALA A 28 11.931 18.181 -2.335 1.00 0.00 H new ATOM 0 HB3 ALA A 28 10.786 17.886 -3.665 1.00 0.00 H new ATOM 389 N ASP A 29 9.167 15.648 -3.786 1.00 0.00 N ATOM 390 CA ASP A 29 7.869 15.120 -4.190 1.00 0.00 C ATOM 391 C ASP A 29 7.655 13.717 -3.630 1.00 0.00 C ATOM 392 O ASP A 29 8.527 12.855 -3.735 1.00 0.00 O ATOM 393 CB ASP A 29 7.756 15.096 -5.715 1.00 0.00 C ATOM 394 CG ASP A 29 7.399 16.452 -6.291 1.00 0.00 C ATOM 395 OD1 ASP A 29 6.196 16.784 -6.327 1.00 0.00 O ATOM 396 OD2 ASP A 29 8.324 17.183 -6.704 1.00 0.00 O ATOM 0 H ASP A 29 9.761 15.944 -4.560 1.00 0.00 H new ATOM 0 HA ASP A 29 7.097 15.775 -3.787 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.702 14.761 -6.141 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.999 14.369 -6.009 1.00 0.00 H new ATOM 401 N THR A 30 6.488 13.496 -3.032 1.00 0.00 N ATOM 402 CA THR A 30 6.160 12.200 -2.453 1.00 0.00 C ATOM 403 C THR A 30 4.653 11.975 -2.425 1.00 0.00 C ATOM 404 O THR A 30 3.879 12.911 -2.221 1.00 0.00 O ATOM 405 CB THR A 30 6.713 12.067 -1.021 1.00 0.00 C ATOM 406 OG1 THR A 30 6.507 10.736 -0.537 1.00 0.00 O ATOM 407 CG2 THR A 30 6.041 13.062 -0.087 1.00 0.00 C ATOM 0 H THR A 30 5.755 14.198 -2.936 1.00 0.00 H new ATOM 0 HA THR A 30 6.626 11.445 -3.086 1.00 0.00 H new ATOM 0 HB THR A 30 7.781 12.281 -1.047 1.00 0.00 H new ATOM 0 HG1 THR A 30 6.863 10.660 0.373 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.448 12.949 0.918 1.00 0.00 H new ATOM 0 HG22 THR A 30 6.226 14.076 -0.442 1.00 0.00 H new ATOM 0 HG23 THR A 30 4.967 12.875 -0.067 1.00 0.00 H new ATOM 415 N TYR A 31 4.241 10.729 -2.631 1.00 0.00 N ATOM 416 CA TYR A 31 2.824 10.383 -2.632 1.00 0.00 C ATOM 417 C TYR A 31 2.178 10.732 -1.295 1.00 0.00 C ATOM 418 O TYR A 31 2.865 10.948 -0.297 1.00 0.00 O ATOM 419 CB TYR A 31 2.643 8.892 -2.925 1.00 0.00 C ATOM 420 CG TYR A 31 3.416 8.415 -4.134 1.00 0.00 C ATOM 421 CD1 TYR A 31 3.240 9.011 -5.376 1.00 0.00 C ATOM 422 CD2 TYR A 31 4.323 7.367 -4.032 1.00 0.00 C ATOM 423 CE1 TYR A 31 3.944 8.577 -6.483 1.00 0.00 C ATOM 424 CE2 TYR A 31 5.033 6.927 -5.133 1.00 0.00 C ATOM 425 CZ TYR A 31 4.839 7.535 -6.356 1.00 0.00 C ATOM 426 OH TYR A 31 5.543 7.101 -7.456 1.00 0.00 O ATOM 0 H TYR A 31 4.868 9.942 -2.799 1.00 0.00 H new ATOM 0 HA TYR A 31 2.334 10.963 -3.414 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.957 8.318 -2.053 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.583 8.686 -3.077 1.00 0.00 H new ATOM 0 HD1 TYR A 31 2.541 9.828 -5.478 1.00 0.00 H new ATOM 0 HD2 TYR A 31 4.476 6.888 -3.076 1.00 0.00 H new ATOM 0 HE1 TYR A 31 3.794 9.051 -7.442 1.00 0.00 H new ATOM 0 HE2 TYR A 31 5.735 6.112 -5.037 1.00 0.00 H new ATOM 0 HH TYR A 31 6.301 6.552 -7.164 1.00 0.00 H new ATOM 436 N GLY A 32 0.849 10.783 -1.283 1.00 0.00 N ATOM 437 CA GLY A 32 0.130 11.106 -0.064 1.00 0.00 C ATOM 438 C GLY A 32 -1.059 10.194 0.166 1.00 0.00 C ATOM 439 O GLY A 32 -1.941 10.503 0.967 1.00 0.00 O ATOM 0 H GLY A 32 0.258 10.606 -2.095 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.809 11.033 0.785 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.212 12.140 -0.111 1.00 0.00 H new ATOM 443 N PHE A 33 -1.085 9.069 -0.540 1.00 0.00 N ATOM 444 CA PHE A 33 -2.177 8.110 -0.411 1.00 0.00 C ATOM 445 C PHE A 33 -1.756 6.918 0.443 1.00 0.00 C ATOM 446 O PHE A 33 -0.712 6.309 0.207 1.00 0.00 O ATOM 447 CB PHE A 33 -2.627 7.629 -1.792 1.00 0.00 C ATOM 448 CG PHE A 33 -1.887 6.413 -2.273 1.00 0.00 C ATOM 449 CD1 PHE A 33 -0.545 6.490 -2.610 1.00 0.00 C ATOM 450 CD2 PHE A 33 -2.534 5.193 -2.388 1.00 0.00 C ATOM 451 CE1 PHE A 33 0.137 5.373 -3.053 1.00 0.00 C ATOM 452 CE2 PHE A 33 -1.857 4.072 -2.831 1.00 0.00 C ATOM 453 CZ PHE A 33 -0.519 4.162 -3.163 1.00 0.00 C ATOM 0 H PHE A 33 -0.363 8.798 -1.207 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.011 8.611 0.081 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.694 7.407 -1.761 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.490 8.436 -2.512 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.026 7.434 -2.525 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.580 5.117 -2.128 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.183 5.446 -3.313 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -2.373 3.127 -2.917 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.013 3.288 -3.508 1.00 0.00 H new ATOM 463 N SER A 34 -2.575 6.592 1.438 1.00 0.00 N ATOM 464 CA SER A 34 -2.287 5.476 2.331 1.00 0.00 C ATOM 465 C SER A 34 -3.093 4.242 1.937 1.00 0.00 C ATOM 466 O SER A 34 -4.025 4.325 1.135 1.00 0.00 O ATOM 467 CB SER A 34 -2.597 5.861 3.779 1.00 0.00 C ATOM 468 OG SER A 34 -1.600 6.721 4.303 1.00 0.00 O ATOM 0 H SER A 34 -3.443 7.085 1.646 1.00 0.00 H new ATOM 0 HA SER A 34 -1.227 5.238 2.245 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.568 6.353 3.828 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.664 4.962 4.391 1.00 0.00 H new ATOM 0 HG SER A 34 -1.822 6.954 5.229 1.00 0.00 H new ATOM 474 N LEU A 35 -2.729 3.099 2.506 1.00 0.00 N ATOM 475 CA LEU A 35 -3.417 1.846 2.216 1.00 0.00 C ATOM 476 C LEU A 35 -3.717 1.079 3.499 1.00 0.00 C ATOM 477 O LEU A 35 -2.815 0.789 4.286 1.00 0.00 O ATOM 478 CB LEU A 35 -2.572 0.982 1.277 1.00 0.00 C ATOM 479 CG LEU A 35 -2.598 1.374 -0.201 1.00 0.00 C ATOM 480 CD1 LEU A 35 -1.473 0.684 -0.956 1.00 0.00 C ATOM 481 CD2 LEU A 35 -3.946 1.033 -0.819 1.00 0.00 C ATOM 0 H LEU A 35 -1.961 3.014 3.171 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.362 2.084 1.728 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.538 1.010 1.622 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.909 -0.051 1.364 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.449 2.451 -0.274 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.507 0.975 -2.006 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.514 0.978 -0.529 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.590 -0.397 -0.875 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.947 1.319 -1.871 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.125 -0.039 -0.734 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.734 1.575 -0.295 1.00 0.00 H new ATOM 493 N SER A 36 -4.989 0.751 3.704 1.00 0.00 N ATOM 494 CA SER A 36 -5.407 0.018 4.893 1.00 0.00 C ATOM 495 C SER A 36 -5.658 -1.451 4.566 1.00 0.00 C ATOM 496 O SER A 36 -6.318 -1.774 3.579 1.00 0.00 O ATOM 497 CB SER A 36 -6.672 0.644 5.484 1.00 0.00 C ATOM 498 OG SER A 36 -7.025 0.022 6.708 1.00 0.00 O ATOM 0 H SER A 36 -5.748 0.981 3.062 1.00 0.00 H new ATOM 0 HA SER A 36 -4.603 0.076 5.627 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.512 1.710 5.647 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.494 0.550 4.774 1.00 0.00 H new ATOM 0 HG SER A 36 -7.835 0.441 7.066 1.00 0.00 H new ATOM 504 N SER A 37 -5.126 -2.336 5.403 1.00 0.00 N ATOM 505 CA SER A 37 -5.288 -3.771 5.202 1.00 0.00 C ATOM 506 C SER A 37 -6.574 -4.269 5.853 1.00 0.00 C ATOM 507 O SER A 37 -6.899 -3.894 6.980 1.00 0.00 O ATOM 508 CB SER A 37 -4.087 -4.526 5.775 1.00 0.00 C ATOM 509 OG SER A 37 -4.125 -4.545 7.191 1.00 0.00 O ATOM 0 H SER A 37 -4.579 -2.084 6.227 1.00 0.00 H new ATOM 0 HA SER A 37 -5.348 -3.958 4.130 1.00 0.00 H new ATOM 0 HB2 SER A 37 -4.080 -5.547 5.395 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.163 -4.055 5.439 1.00 0.00 H new ATOM 0 HG SER A 37 -3.348 -5.035 7.533 1.00 0.00 H new ATOM 515 N VAL A 38 -7.303 -5.118 5.135 1.00 0.00 N ATOM 516 CA VAL A 38 -8.554 -5.669 5.642 1.00 0.00 C ATOM 517 C VAL A 38 -8.678 -7.151 5.304 1.00 0.00 C ATOM 518 O VAL A 38 -8.753 -7.526 4.135 1.00 0.00 O ATOM 519 CB VAL A 38 -9.771 -4.920 5.069 1.00 0.00 C ATOM 520 CG1 VAL A 38 -11.061 -5.451 5.677 1.00 0.00 C ATOM 521 CG2 VAL A 38 -9.636 -3.423 5.308 1.00 0.00 C ATOM 0 H VAL A 38 -7.049 -5.439 4.201 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.538 -5.546 6.725 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.807 -5.092 3.993 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -11.910 -4.909 5.260 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -11.161 -6.512 5.450 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -11.038 -5.312 6.758 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.505 -2.909 4.897 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -9.573 -3.230 6.379 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -8.733 -3.057 4.820 1.00 0.00 H new ATOM 531 N GLU A 39 -8.700 -7.988 6.337 1.00 0.00 N ATOM 532 CA GLU A 39 -8.815 -9.429 6.149 1.00 0.00 C ATOM 533 C GLU A 39 -10.260 -9.887 6.323 1.00 0.00 C ATOM 534 O GLU A 39 -10.965 -9.421 7.217 1.00 0.00 O ATOM 535 CB GLU A 39 -7.911 -10.169 7.138 1.00 0.00 C ATOM 536 CG GLU A 39 -7.471 -11.540 6.652 1.00 0.00 C ATOM 537 CD GLU A 39 -8.415 -12.644 7.086 1.00 0.00 C ATOM 538 OE1 GLU A 39 -9.638 -12.492 6.886 1.00 0.00 O ATOM 539 OE2 GLU A 39 -7.930 -13.660 7.626 1.00 0.00 O ATOM 0 H GLU A 39 -8.640 -7.693 7.312 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.498 -9.663 5.133 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.027 -9.562 7.334 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -8.438 -10.281 8.086 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.404 -11.531 5.564 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.471 -11.752 7.031 1.00 0.00 H new ATOM 546 N GLU A 40 -10.692 -10.803 5.461 1.00 0.00 N ATOM 547 CA GLU A 40 -12.054 -11.322 5.519 1.00 0.00 C ATOM 548 C GLU A 40 -12.100 -12.779 5.066 1.00 0.00 C ATOM 549 O GLU A 40 -11.874 -13.083 3.895 1.00 0.00 O ATOM 550 CB GLU A 40 -12.984 -10.476 4.648 1.00 0.00 C ATOM 551 CG GLU A 40 -13.080 -9.026 5.090 1.00 0.00 C ATOM 552 CD GLU A 40 -13.937 -8.188 4.161 1.00 0.00 C ATOM 553 OE1 GLU A 40 -15.004 -8.677 3.735 1.00 0.00 O ATOM 554 OE2 GLU A 40 -13.540 -7.043 3.860 1.00 0.00 O ATOM 0 H GLU A 40 -10.120 -11.200 4.716 1.00 0.00 H new ATOM 0 HA GLU A 40 -12.392 -11.270 6.554 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.633 -10.510 3.617 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -13.981 -10.917 4.660 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.495 -8.984 6.097 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.079 -8.598 5.139 1.00 0.00 H new ATOM 561 N ASP A 41 -12.393 -13.674 6.003 1.00 0.00 N ATOM 562 CA ASP A 41 -12.470 -15.099 5.701 1.00 0.00 C ATOM 563 C ASP A 41 -11.111 -15.634 5.259 1.00 0.00 C ATOM 564 O ASP A 41 -11.029 -16.619 4.526 1.00 0.00 O ATOM 565 CB ASP A 41 -13.512 -15.356 4.612 1.00 0.00 C ATOM 566 CG ASP A 41 -14.894 -15.613 5.181 1.00 0.00 C ATOM 567 OD1 ASP A 41 -15.120 -16.720 5.712 1.00 0.00 O ATOM 568 OD2 ASP A 41 -15.749 -14.706 5.095 1.00 0.00 O ATOM 0 H ASP A 41 -12.581 -13.438 6.977 1.00 0.00 H new ATOM 0 HA ASP A 41 -12.769 -15.622 6.609 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -13.552 -14.497 3.942 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -13.204 -16.213 4.013 1.00 0.00 H new ATOM 573 N GLY A 42 -10.047 -14.978 5.711 1.00 0.00 N ATOM 574 CA GLY A 42 -8.706 -15.402 5.351 1.00 0.00 C ATOM 575 C GLY A 42 -8.099 -14.541 4.260 1.00 0.00 C ATOM 576 O GLY A 42 -6.881 -14.372 4.201 1.00 0.00 O ATOM 0 H GLY A 42 -10.089 -14.161 6.320 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.068 -15.367 6.234 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.733 -16.439 5.018 1.00 0.00 H new ATOM 580 N ILE A 43 -8.949 -13.998 3.396 1.00 0.00 N ATOM 581 CA ILE A 43 -8.489 -13.151 2.302 1.00 0.00 C ATOM 582 C ILE A 43 -8.140 -11.752 2.800 1.00 0.00 C ATOM 583 O ILE A 43 -8.987 -11.051 3.355 1.00 0.00 O ATOM 584 CB ILE A 43 -9.549 -13.039 1.192 1.00 0.00 C ATOM 585 CG1 ILE A 43 -9.903 -14.427 0.653 1.00 0.00 C ATOM 586 CG2 ILE A 43 -9.049 -12.141 0.070 1.00 0.00 C ATOM 587 CD1 ILE A 43 -10.959 -15.140 1.467 1.00 0.00 C ATOM 0 H ILE A 43 -9.960 -14.129 3.432 1.00 0.00 H new ATOM 0 HA ILE A 43 -7.596 -13.622 1.892 1.00 0.00 H new ATOM 0 HB ILE A 43 -10.450 -12.593 1.614 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -10.252 -14.330 -0.375 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -9.001 -15.039 0.627 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -9.810 -12.072 -0.707 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.842 -11.146 0.465 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -8.136 -12.561 -0.352 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -11.160 -16.117 1.027 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -10.605 -15.269 2.490 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -11.875 -14.549 1.472 1.00 0.00 H new ATOM 599 N ARG A 44 -6.890 -11.351 2.596 1.00 0.00 N ATOM 600 CA ARG A 44 -6.429 -10.036 3.023 1.00 0.00 C ATOM 601 C ARG A 44 -6.025 -9.185 1.822 1.00 0.00 C ATOM 602 O ARG A 44 -5.259 -9.628 0.965 1.00 0.00 O ATOM 603 CB ARG A 44 -5.248 -10.173 3.985 1.00 0.00 C ATOM 604 CG ARG A 44 -4.581 -8.849 4.323 1.00 0.00 C ATOM 605 CD ARG A 44 -3.476 -8.514 3.334 1.00 0.00 C ATOM 606 NE ARG A 44 -2.182 -9.042 3.760 1.00 0.00 N ATOM 607 CZ ARG A 44 -1.688 -10.202 3.341 1.00 0.00 C ATOM 608 NH1 ARG A 44 -2.376 -10.950 2.489 1.00 0.00 N ATOM 609 NH2 ARG A 44 -0.504 -10.615 3.773 1.00 0.00 N ATOM 0 H ARG A 44 -6.178 -11.919 2.137 1.00 0.00 H new ATOM 0 HA ARG A 44 -7.252 -9.540 3.538 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.593 -10.642 4.906 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.508 -10.841 3.545 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -5.326 -8.054 4.321 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.167 -8.895 5.330 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.730 -8.922 2.355 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.407 -7.432 3.221 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.628 -8.490 4.415 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.286 -10.635 2.154 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.995 -11.840 2.169 1.00 0.00 H new ATOM 0 HH21 ARG A 44 0.028 -10.042 4.428 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.126 -11.506 3.451 1.00 0.00 H new ATOM 623 N ARG A 45 -6.544 -7.963 1.767 1.00 0.00 N ATOM 624 CA ARG A 45 -6.238 -7.052 0.671 1.00 0.00 C ATOM 625 C ARG A 45 -6.013 -5.634 1.190 1.00 0.00 C ATOM 626 O ARG A 45 -6.236 -5.350 2.367 1.00 0.00 O ATOM 627 CB ARG A 45 -7.372 -7.056 -0.356 1.00 0.00 C ATOM 628 CG ARG A 45 -7.674 -8.434 -0.923 1.00 0.00 C ATOM 629 CD ARG A 45 -8.998 -8.450 -1.671 1.00 0.00 C ATOM 630 NE ARG A 45 -9.199 -9.700 -2.399 1.00 0.00 N ATOM 631 CZ ARG A 45 -10.090 -9.847 -3.374 1.00 0.00 C ATOM 632 NH1 ARG A 45 -10.855 -8.827 -3.737 1.00 0.00 N ATOM 633 NH2 ARG A 45 -10.214 -11.016 -3.990 1.00 0.00 N ATOM 0 H ARG A 45 -7.178 -7.581 2.469 1.00 0.00 H new ATOM 0 HA ARG A 45 -5.321 -7.396 0.191 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.274 -6.658 0.109 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -7.112 -6.384 -1.174 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -6.871 -8.736 -1.596 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -7.703 -9.163 -0.114 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.815 -8.306 -0.964 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -9.030 -7.614 -2.370 1.00 0.00 H new ATOM 0 HE ARG A 45 -8.624 -10.504 -2.145 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.761 -7.926 -3.268 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -11.538 -8.943 -4.486 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -9.625 -11.802 -3.715 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -10.898 -11.128 -4.738 1.00 0.00 H new ATOM 647 N LEU A 46 -5.570 -4.749 0.304 1.00 0.00 N ATOM 648 CA LEU A 46 -5.313 -3.361 0.671 1.00 0.00 C ATOM 649 C LEU A 46 -6.328 -2.429 0.018 1.00 0.00 C ATOM 650 O LEU A 46 -6.790 -2.680 -1.096 1.00 0.00 O ATOM 651 CB LEU A 46 -3.896 -2.958 0.262 1.00 0.00 C ATOM 652 CG LEU A 46 -2.803 -3.193 1.306 1.00 0.00 C ATOM 653 CD1 LEU A 46 -3.122 -2.444 2.590 1.00 0.00 C ATOM 654 CD2 LEU A 46 -2.640 -4.681 1.580 1.00 0.00 C ATOM 0 H LEU A 46 -5.381 -4.968 -0.674 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.410 -3.273 1.753 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.631 -3.506 -0.642 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.901 -1.899 0.003 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.861 -2.811 0.912 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.334 -2.623 3.321 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.188 -1.376 2.382 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.074 -2.795 2.989 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.858 -4.830 2.325 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.580 -5.087 1.954 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.365 -5.193 0.658 1.00 0.00 H new ATOM 666 N TYR A 47 -6.669 -1.351 0.716 1.00 0.00 N ATOM 667 CA TYR A 47 -7.630 -0.381 0.204 1.00 0.00 C ATOM 668 C TYR A 47 -7.176 1.045 0.502 1.00 0.00 C ATOM 669 O TYR A 47 -6.704 1.342 1.600 1.00 0.00 O ATOM 670 CB TYR A 47 -9.010 -0.627 0.815 1.00 0.00 C ATOM 671 CG TYR A 47 -9.516 -2.038 0.620 1.00 0.00 C ATOM 672 CD1 TYR A 47 -9.000 -3.091 1.366 1.00 0.00 C ATOM 673 CD2 TYR A 47 -10.509 -2.320 -0.310 1.00 0.00 C ATOM 674 CE1 TYR A 47 -9.459 -4.382 1.192 1.00 0.00 C ATOM 675 CE2 TYR A 47 -10.974 -3.607 -0.491 1.00 0.00 C ATOM 676 CZ TYR A 47 -10.446 -4.635 0.262 1.00 0.00 C ATOM 677 OH TYR A 47 -10.906 -5.920 0.084 1.00 0.00 O ATOM 0 H TYR A 47 -6.294 -1.127 1.638 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.692 -0.505 -0.877 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.970 -0.409 1.882 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -9.723 0.070 0.374 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -8.227 -2.896 2.094 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -10.924 -1.518 -0.902 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -9.048 -5.189 1.781 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -11.747 -3.808 -1.218 1.00 0.00 H new ATOM 0 HH TYR A 47 -11.601 -5.926 -0.607 1.00 0.00 H new ATOM 687 N VAL A 48 -7.322 1.924 -0.484 1.00 0.00 N ATOM 688 CA VAL A 48 -6.929 3.319 -0.328 1.00 0.00 C ATOM 689 C VAL A 48 -7.733 3.997 0.775 1.00 0.00 C ATOM 690 O VAL A 48 -8.952 4.128 0.678 1.00 0.00 O ATOM 691 CB VAL A 48 -7.115 4.105 -1.640 1.00 0.00 C ATOM 692 CG1 VAL A 48 -6.648 5.542 -1.473 1.00 0.00 C ATOM 693 CG2 VAL A 48 -6.373 3.422 -2.779 1.00 0.00 C ATOM 0 H VAL A 48 -7.710 1.695 -1.399 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.873 3.321 -0.058 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.177 4.121 -1.887 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.787 6.081 -2.410 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.229 6.024 -0.687 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.592 5.552 -1.202 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.515 3.990 -3.698 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.310 3.373 -2.543 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.762 2.413 -2.913 1.00 0.00 H new ATOM 703 N ASN A 49 -7.041 4.427 1.825 1.00 0.00 N ATOM 704 CA ASN A 49 -7.691 5.092 2.949 1.00 0.00 C ATOM 705 C ASN A 49 -7.893 6.576 2.660 1.00 0.00 C ATOM 706 O ASN A 49 -8.996 7.103 2.807 1.00 0.00 O ATOM 707 CB ASN A 49 -6.860 4.917 4.222 1.00 0.00 C ATOM 708 CG ASN A 49 -7.136 6.002 5.245 1.00 0.00 C ATOM 709 OD1 ASN A 49 -8.255 6.133 5.741 1.00 0.00 O ATOM 710 ND2 ASN A 49 -6.113 6.786 5.566 1.00 0.00 N ATOM 0 H ASN A 49 -6.030 4.327 1.921 1.00 0.00 H new ATOM 0 HA ASN A 49 -8.668 4.632 3.095 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -7.075 3.943 4.662 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -5.801 4.924 3.965 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -6.238 7.533 6.249 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -5.203 6.641 5.129 1.00 0.00 H new ATOM 717 N SER A 50 -6.821 7.244 2.247 1.00 0.00 N ATOM 718 CA SER A 50 -6.879 8.669 1.940 1.00 0.00 C ATOM 719 C SER A 50 -6.020 8.998 0.723 1.00 0.00 C ATOM 720 O SER A 50 -5.154 8.216 0.331 1.00 0.00 O ATOM 721 CB SER A 50 -6.415 9.491 3.144 1.00 0.00 C ATOM 722 OG SER A 50 -7.497 9.775 4.015 1.00 0.00 O ATOM 0 H SER A 50 -5.902 6.822 2.117 1.00 0.00 H new ATOM 0 HA SER A 50 -7.914 8.925 1.712 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.642 8.945 3.685 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.966 10.423 2.801 1.00 0.00 H new ATOM 0 HG SER A 50 -7.174 10.300 4.777 1.00 0.00 H new ATOM 728 N VAL A 51 -6.266 10.162 0.130 1.00 0.00 N ATOM 729 CA VAL A 51 -5.515 10.597 -1.042 1.00 0.00 C ATOM 730 C VAL A 51 -5.321 12.109 -1.040 1.00 0.00 C ATOM 731 O VAL A 51 -6.246 12.864 -0.742 1.00 0.00 O ATOM 732 CB VAL A 51 -6.221 10.182 -2.346 1.00 0.00 C ATOM 733 CG1 VAL A 51 -5.536 10.814 -3.548 1.00 0.00 C ATOM 734 CG2 VAL A 51 -6.253 8.667 -2.476 1.00 0.00 C ATOM 0 H VAL A 51 -6.980 10.821 0.442 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.541 10.109 -0.994 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.249 10.542 -2.313 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.049 10.510 -4.461 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.571 11.900 -3.457 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.497 10.486 -3.589 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -6.756 8.392 -3.403 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.234 8.281 -2.487 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.793 8.241 -1.630 1.00 0.00 H new ATOM 744 N LYS A 52 -4.112 12.545 -1.375 1.00 0.00 N ATOM 745 CA LYS A 52 -3.795 13.967 -1.415 1.00 0.00 C ATOM 746 C LYS A 52 -4.335 14.610 -2.688 1.00 0.00 C ATOM 747 O LYS A 52 -4.090 14.124 -3.791 1.00 0.00 O ATOM 748 CB LYS A 52 -2.281 14.176 -1.329 1.00 0.00 C ATOM 749 CG LYS A 52 -1.501 13.412 -2.384 1.00 0.00 C ATOM 750 CD LYS A 52 -0.162 14.071 -2.673 1.00 0.00 C ATOM 751 CE LYS A 52 0.800 13.105 -3.349 1.00 0.00 C ATOM 752 NZ LYS A 52 0.088 12.142 -4.234 1.00 0.00 N ATOM 0 H LYS A 52 -3.335 11.933 -1.623 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.271 14.443 -0.558 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.063 15.240 -1.427 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.936 13.870 -0.341 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.339 12.388 -2.048 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.086 13.357 -3.302 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.314 14.941 -3.311 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.276 14.431 -1.742 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.527 13.667 -3.935 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.358 12.557 -2.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.705 11.881 -5.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.158 11.289 -3.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.780 12.583 -4.599 1.00 0.00 H new ATOM 766 N GLU A 53 -5.071 15.706 -2.526 1.00 0.00 N ATOM 767 CA GLU A 53 -5.645 16.415 -3.664 1.00 0.00 C ATOM 768 C GLU A 53 -4.549 16.953 -4.579 1.00 0.00 C ATOM 769 O GLU A 53 -4.511 16.644 -5.771 1.00 0.00 O ATOM 770 CB GLU A 53 -6.532 17.564 -3.182 1.00 0.00 C ATOM 771 CG GLU A 53 -7.317 18.235 -4.296 1.00 0.00 C ATOM 772 CD GLU A 53 -8.111 19.433 -3.811 1.00 0.00 C ATOM 773 OE1 GLU A 53 -7.628 20.134 -2.898 1.00 0.00 O ATOM 774 OE2 GLU A 53 -9.216 19.668 -4.344 1.00 0.00 O ATOM 0 H GLU A 53 -5.283 16.121 -1.619 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.253 15.709 -4.230 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -7.229 17.185 -2.435 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.909 18.310 -2.687 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.629 18.553 -5.080 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -7.997 17.510 -4.744 1.00 0.00 H new ATOM 781 N THR A 54 -3.657 17.761 -4.013 1.00 0.00 N ATOM 782 CA THR A 54 -2.561 18.344 -4.777 1.00 0.00 C ATOM 783 C THR A 54 -1.453 17.325 -5.013 1.00 0.00 C ATOM 784 O THR A 54 -0.279 17.604 -4.773 1.00 0.00 O ATOM 785 CB THR A 54 -1.970 19.573 -4.061 1.00 0.00 C ATOM 786 OG1 THR A 54 -1.538 19.212 -2.744 1.00 0.00 O ATOM 787 CG2 THR A 54 -2.995 20.694 -3.974 1.00 0.00 C ATOM 0 H THR A 54 -3.673 18.026 -3.028 1.00 0.00 H new ATOM 0 HA THR A 54 -2.974 18.655 -5.736 1.00 0.00 H new ATOM 0 HB THR A 54 -1.116 19.927 -4.639 1.00 0.00 H new ATOM 0 HG1 THR A 54 -1.162 19.998 -2.296 1.00 0.00 H new ATOM 0 HG21 THR A 54 -2.555 21.551 -3.464 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.300 20.987 -4.979 1.00 0.00 H new ATOM 0 HG23 THR A 54 -3.866 20.349 -3.416 1.00 0.00 H new ATOM 795 N GLY A 55 -1.833 16.142 -5.486 1.00 0.00 N ATOM 796 CA GLY A 55 -0.858 15.099 -5.747 1.00 0.00 C ATOM 797 C GLY A 55 -0.927 14.585 -7.171 1.00 0.00 C ATOM 798 O GLY A 55 -1.084 15.362 -8.114 1.00 0.00 O ATOM 0 H GLY A 55 -2.799 15.887 -5.693 1.00 0.00 H new ATOM 0 HA2 GLY A 55 0.143 15.484 -5.551 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.022 14.271 -5.057 1.00 0.00 H new ATOM 802 N LEU A 56 -0.809 13.271 -7.330 1.00 0.00 N ATOM 803 CA LEU A 56 -0.858 12.653 -8.651 1.00 0.00 C ATOM 804 C LEU A 56 -1.931 11.570 -8.706 1.00 0.00 C ATOM 805 O LEU A 56 -2.537 11.335 -9.751 1.00 0.00 O ATOM 806 CB LEU A 56 0.504 12.055 -9.006 1.00 0.00 C ATOM 807 CG LEU A 56 1.704 12.995 -8.878 1.00 0.00 C ATOM 808 CD1 LEU A 56 3.005 12.223 -9.028 1.00 0.00 C ATOM 809 CD2 LEU A 56 1.620 14.109 -9.911 1.00 0.00 C ATOM 0 H LEU A 56 -0.679 12.613 -6.561 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.110 13.426 -9.378 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.676 11.189 -8.366 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.462 11.690 -10.032 1.00 0.00 H new ATOM 0 HG LEU A 56 1.685 13.445 -7.885 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.848 12.908 -8.934 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.068 11.462 -8.251 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.034 11.745 -10.007 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.481 14.768 -9.806 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.614 13.677 -10.912 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.705 14.680 -9.756 1.00 0.00 H new ATOM 821 N ALA A 57 -2.162 10.915 -7.573 1.00 0.00 N ATOM 822 CA ALA A 57 -3.165 9.860 -7.491 1.00 0.00 C ATOM 823 C ALA A 57 -4.574 10.433 -7.594 1.00 0.00 C ATOM 824 O ALA A 57 -5.425 9.891 -8.298 1.00 0.00 O ATOM 825 CB ALA A 57 -3.004 9.079 -6.195 1.00 0.00 C ATOM 0 H ALA A 57 -1.668 11.096 -6.699 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.014 9.183 -8.332 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -3.759 8.294 -6.147 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.011 8.630 -6.162 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.126 9.753 -5.347 1.00 0.00 H new ATOM 831 N SER A 58 -4.814 11.533 -6.887 1.00 0.00 N ATOM 832 CA SER A 58 -6.122 12.178 -6.896 1.00 0.00 C ATOM 833 C SER A 58 -6.523 12.574 -8.314 1.00 0.00 C ATOM 834 O SER A 58 -7.669 12.388 -8.723 1.00 0.00 O ATOM 835 CB SER A 58 -6.112 13.413 -5.993 1.00 0.00 C ATOM 836 OG SER A 58 -4.909 14.147 -6.147 1.00 0.00 O ATOM 0 H SER A 58 -4.120 11.996 -6.301 1.00 0.00 H new ATOM 0 HA SER A 58 -6.854 11.465 -6.516 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.964 14.050 -6.233 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.225 13.108 -4.953 1.00 0.00 H new ATOM 0 HG SER A 58 -4.636 14.513 -5.280 1.00 0.00 H new ATOM 842 N LYS A 59 -5.569 13.120 -9.061 1.00 0.00 N ATOM 843 CA LYS A 59 -5.820 13.542 -10.434 1.00 0.00 C ATOM 844 C LYS A 59 -5.793 12.349 -11.383 1.00 0.00 C ATOM 845 O LYS A 59 -6.651 12.217 -12.257 1.00 0.00 O ATOM 846 CB LYS A 59 -4.780 14.577 -10.869 1.00 0.00 C ATOM 847 CG LYS A 59 -3.358 14.042 -10.883 1.00 0.00 C ATOM 848 CD LYS A 59 -2.380 15.072 -11.424 1.00 0.00 C ATOM 849 CE LYS A 59 -2.496 15.210 -12.935 1.00 0.00 C ATOM 850 NZ LYS A 59 -1.940 14.025 -13.644 1.00 0.00 N ATOM 0 H LYS A 59 -4.615 13.281 -8.738 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.811 13.993 -10.474 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -5.033 14.937 -11.866 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.830 15.434 -10.198 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.066 13.757 -9.872 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.313 13.140 -11.494 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.569 16.037 -10.954 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.363 14.783 -11.161 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.543 15.339 -13.209 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.969 16.107 -13.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.818 14.249 -14.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.019 13.774 -13.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.594 13.223 -13.545 1.00 0.00 H new ATOM 864 N LYS A 60 -4.803 11.480 -11.206 1.00 0.00 N ATOM 865 CA LYS A 60 -4.666 10.295 -12.045 1.00 0.00 C ATOM 866 C LYS A 60 -5.967 9.501 -12.083 1.00 0.00 C ATOM 867 O LYS A 60 -6.469 9.163 -13.154 1.00 0.00 O ATOM 868 CB LYS A 60 -3.530 9.409 -11.529 1.00 0.00 C ATOM 869 CG LYS A 60 -2.159 9.819 -12.039 1.00 0.00 C ATOM 870 CD LYS A 60 -2.021 9.566 -13.531 1.00 0.00 C ATOM 871 CE LYS A 60 -0.636 9.942 -14.034 1.00 0.00 C ATOM 872 NZ LYS A 60 -0.656 10.344 -15.468 1.00 0.00 N ATOM 0 H LYS A 60 -4.084 11.574 -10.489 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.432 10.623 -13.058 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -3.526 9.436 -10.439 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -3.724 8.377 -11.822 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.994 10.876 -11.831 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.389 9.265 -11.502 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.213 8.514 -13.742 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.774 10.141 -14.070 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.241 10.761 -13.433 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.040 9.097 -13.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.307 10.593 -15.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -1.008 9.554 -16.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -1.281 11.167 -15.589 1.00 0.00 H new ATOM 886 N GLY A 61 -6.510 9.207 -10.905 1.00 0.00 N ATOM 887 CA GLY A 61 -7.750 8.456 -10.827 1.00 0.00 C ATOM 888 C GLY A 61 -7.851 7.635 -9.557 1.00 0.00 C ATOM 889 O GLY A 61 -8.178 6.448 -9.600 1.00 0.00 O ATOM 0 H GLY A 61 -6.114 9.475 -10.004 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -8.593 9.145 -10.878 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -7.826 7.795 -11.690 1.00 0.00 H new ATOM 893 N LEU A 62 -7.567 8.266 -8.422 1.00 0.00 N ATOM 894 CA LEU A 62 -7.626 7.585 -7.133 1.00 0.00 C ATOM 895 C LEU A 62 -8.445 8.390 -6.130 1.00 0.00 C ATOM 896 O LEU A 62 -8.475 9.620 -6.180 1.00 0.00 O ATOM 897 CB LEU A 62 -6.214 7.357 -6.590 1.00 0.00 C ATOM 898 CG LEU A 62 -5.545 6.042 -6.991 1.00 0.00 C ATOM 899 CD1 LEU A 62 -4.031 6.182 -6.960 1.00 0.00 C ATOM 900 CD2 LEU A 62 -5.997 4.913 -6.077 1.00 0.00 C ATOM 0 H LEU A 62 -7.294 9.247 -8.368 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.112 6.621 -7.280 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.581 8.180 -6.923 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.253 7.405 -5.502 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.846 5.800 -8.010 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.572 5.236 -7.248 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.723 6.962 -7.657 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.711 6.449 -5.953 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.511 3.985 -6.377 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.726 5.148 -5.048 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.078 4.796 -6.150 1.00 0.00 H new ATOM 912 N LYS A 63 -9.108 7.688 -5.217 1.00 0.00 N ATOM 913 CA LYS A 63 -9.926 8.336 -4.198 1.00 0.00 C ATOM 914 C LYS A 63 -9.993 7.486 -2.933 1.00 0.00 C ATOM 915 O LYS A 63 -9.746 6.281 -2.970 1.00 0.00 O ATOM 916 CB LYS A 63 -11.338 8.587 -4.732 1.00 0.00 C ATOM 917 CG LYS A 63 -11.498 9.933 -5.418 1.00 0.00 C ATOM 918 CD LYS A 63 -11.743 11.046 -4.412 1.00 0.00 C ATOM 919 CE LYS A 63 -13.220 11.174 -4.071 1.00 0.00 C ATOM 920 NZ LYS A 63 -13.644 10.172 -3.055 1.00 0.00 N ATOM 0 H LYS A 63 -9.095 6.670 -5.162 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.463 9.291 -3.949 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.597 7.796 -5.436 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -12.047 8.523 -3.906 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -10.602 10.156 -5.998 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -12.329 9.887 -6.121 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -11.175 10.848 -3.503 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -11.379 11.990 -4.817 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -13.420 12.178 -3.697 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -13.814 11.047 -4.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -14.389 10.580 -2.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -14.010 9.325 -3.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -12.829 9.910 -2.465 1.00 0.00 H new ATOM 934 N ALA A 64 -10.331 8.122 -1.816 1.00 0.00 N ATOM 935 CA ALA A 64 -10.435 7.423 -0.541 1.00 0.00 C ATOM 936 C ALA A 64 -11.641 6.491 -0.522 1.00 0.00 C ATOM 937 O ALA A 64 -12.748 6.900 -0.174 1.00 0.00 O ATOM 938 CB ALA A 64 -10.519 8.423 0.603 1.00 0.00 C ATOM 0 H ALA A 64 -10.537 9.120 -1.768 1.00 0.00 H new ATOM 0 HA ALA A 64 -9.539 6.816 -0.413 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.596 7.888 1.549 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.623 9.044 0.610 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.398 9.054 0.471 1.00 0.00 H new ATOM 944 N GLY A 65 -11.420 5.236 -0.900 1.00 0.00 N ATOM 945 CA GLY A 65 -12.499 4.266 -0.920 1.00 0.00 C ATOM 946 C GLY A 65 -12.397 3.308 -2.091 1.00 0.00 C ATOM 947 O GLY A 65 -13.411 2.885 -2.646 1.00 0.00 O ATOM 0 H GLY A 65 -10.513 4.874 -1.193 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.491 3.699 0.011 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -13.454 4.790 -0.966 1.00 0.00 H new ATOM 951 N ASP A 66 -11.169 2.967 -2.469 1.00 0.00 N ATOM 952 CA ASP A 66 -10.938 2.054 -3.582 1.00 0.00 C ATOM 953 C ASP A 66 -10.039 0.897 -3.158 1.00 0.00 C ATOM 954 O ASP A 66 -9.110 1.077 -2.371 1.00 0.00 O ATOM 955 CB ASP A 66 -10.308 2.801 -4.759 1.00 0.00 C ATOM 956 CG ASP A 66 -10.685 2.195 -6.097 1.00 0.00 C ATOM 957 OD1 ASP A 66 -10.370 1.007 -6.320 1.00 0.00 O ATOM 958 OD2 ASP A 66 -11.294 2.908 -6.921 1.00 0.00 O ATOM 0 H ASP A 66 -10.319 3.309 -2.021 1.00 0.00 H new ATOM 0 HA ASP A 66 -11.900 1.647 -3.893 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -10.623 3.844 -4.734 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.223 2.793 -4.652 1.00 0.00 H new ATOM 963 N GLU A 67 -10.323 -0.290 -3.684 1.00 0.00 N ATOM 964 CA GLU A 67 -9.540 -1.476 -3.358 1.00 0.00 C ATOM 965 C GLU A 67 -8.456 -1.718 -4.404 1.00 0.00 C ATOM 966 O GLU A 67 -8.678 -1.523 -5.599 1.00 0.00 O ATOM 967 CB GLU A 67 -10.450 -2.703 -3.258 1.00 0.00 C ATOM 968 CG GLU A 67 -10.979 -3.179 -4.600 1.00 0.00 C ATOM 969 CD GLU A 67 -12.103 -2.308 -5.127 1.00 0.00 C ATOM 970 OE1 GLU A 67 -13.143 -2.205 -4.442 1.00 0.00 O ATOM 971 OE2 GLU A 67 -11.944 -1.731 -6.222 1.00 0.00 O ATOM 0 H GLU A 67 -11.089 -0.456 -4.337 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.059 -1.308 -2.394 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.899 -3.516 -2.785 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.292 -2.468 -2.607 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.164 -3.191 -5.324 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.334 -4.205 -4.503 1.00 0.00 H new ATOM 978 N ILE A 68 -7.283 -2.142 -3.945 1.00 0.00 N ATOM 979 CA ILE A 68 -6.165 -2.410 -4.840 1.00 0.00 C ATOM 980 C ILE A 68 -6.007 -3.906 -5.090 1.00 0.00 C ATOM 981 O ILE A 68 -5.703 -4.671 -4.174 1.00 0.00 O ATOM 982 CB ILE A 68 -4.845 -1.853 -4.275 1.00 0.00 C ATOM 983 CG1 ILE A 68 -4.998 -0.370 -3.930 1.00 0.00 C ATOM 984 CG2 ILE A 68 -3.714 -2.057 -5.271 1.00 0.00 C ATOM 985 CD1 ILE A 68 -5.340 0.495 -5.122 1.00 0.00 C ATOM 0 H ILE A 68 -7.083 -2.307 -2.959 1.00 0.00 H new ATOM 0 HA ILE A 68 -6.388 -1.908 -5.782 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.600 -2.396 -3.362 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.777 -0.259 -3.176 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -4.070 -0.011 -3.485 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.788 -1.658 -4.857 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.593 -3.122 -5.471 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.949 -1.538 -6.200 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.433 1.533 -4.803 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.550 0.414 -5.869 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -6.284 0.162 -5.554 1.00 0.00 H new ATOM 997 N LEU A 69 -6.214 -4.317 -6.336 1.00 0.00 N ATOM 998 CA LEU A 69 -6.093 -5.722 -6.708 1.00 0.00 C ATOM 999 C LEU A 69 -4.628 -6.127 -6.837 1.00 0.00 C ATOM 1000 O LEU A 69 -4.194 -7.115 -6.245 1.00 0.00 O ATOM 1001 CB LEU A 69 -6.824 -5.986 -8.026 1.00 0.00 C ATOM 1002 CG LEU A 69 -8.211 -5.357 -8.161 1.00 0.00 C ATOM 1003 CD1 LEU A 69 -8.512 -5.037 -9.617 1.00 0.00 C ATOM 1004 CD2 LEU A 69 -9.274 -6.281 -7.585 1.00 0.00 C ATOM 0 H LEU A 69 -6.466 -3.697 -7.106 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.549 -6.321 -5.920 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.201 -5.622 -8.843 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.922 -7.064 -8.155 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.223 -4.425 -7.595 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.503 -4.590 -9.694 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.768 -4.337 -9.997 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.481 -5.954 -10.205 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.255 -5.817 -7.690 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.262 -7.229 -8.122 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.068 -6.459 -6.530 1.00 0.00 H new ATOM 1016 N GLU A 70 -3.872 -5.356 -7.612 1.00 0.00 N ATOM 1017 CA GLU A 70 -2.455 -5.635 -7.816 1.00 0.00 C ATOM 1018 C GLU A 70 -1.634 -4.350 -7.758 1.00 0.00 C ATOM 1019 O GLU A 70 -2.139 -3.265 -8.048 1.00 0.00 O ATOM 1020 CB GLU A 70 -2.238 -6.332 -9.161 1.00 0.00 C ATOM 1021 CG GLU A 70 -2.415 -7.840 -9.100 1.00 0.00 C ATOM 1022 CD GLU A 70 -1.591 -8.567 -10.145 1.00 0.00 C ATOM 1023 OE1 GLU A 70 -2.036 -8.637 -11.309 1.00 0.00 O ATOM 1024 OE2 GLU A 70 -0.499 -9.064 -9.797 1.00 0.00 O ATOM 0 H GLU A 70 -4.216 -4.534 -8.108 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.122 -6.295 -7.015 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.937 -5.922 -9.890 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.234 -6.107 -9.520 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -2.133 -8.195 -8.109 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.468 -8.084 -9.239 1.00 0.00 H new ATOM 1031 N ILE A 71 -0.366 -4.482 -7.382 1.00 0.00 N ATOM 1032 CA ILE A 71 0.525 -3.332 -7.286 1.00 0.00 C ATOM 1033 C ILE A 71 1.838 -3.593 -8.016 1.00 0.00 C ATOM 1034 O ILE A 71 2.716 -4.287 -7.506 1.00 0.00 O ATOM 1035 CB ILE A 71 0.828 -2.975 -5.819 1.00 0.00 C ATOM 1036 CG1 ILE A 71 -0.473 -2.724 -5.053 1.00 0.00 C ATOM 1037 CG2 ILE A 71 1.734 -1.755 -5.747 1.00 0.00 C ATOM 1038 CD1 ILE A 71 -0.333 -2.887 -3.556 1.00 0.00 C ATOM 0 H ILE A 71 0.067 -5.373 -7.139 1.00 0.00 H new ATOM 0 HA ILE A 71 0.011 -2.494 -7.756 1.00 0.00 H new ATOM 0 HB ILE A 71 1.345 -3.815 -5.356 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.824 -1.715 -5.269 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.237 -3.412 -5.415 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.939 -1.515 -4.704 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.671 -1.967 -6.262 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.242 -0.908 -6.224 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.293 -2.694 -3.078 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.012 -3.904 -3.329 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.408 -2.181 -3.181 1.00 0.00 H new ATOM 1050 N ASN A 72 1.965 -3.029 -9.213 1.00 0.00 N ATOM 1051 CA ASN A 72 3.172 -3.199 -10.013 1.00 0.00 C ATOM 1052 C ASN A 72 3.412 -4.672 -10.330 1.00 0.00 C ATOM 1053 O ASN A 72 4.530 -5.170 -10.203 1.00 0.00 O ATOM 1054 CB ASN A 72 4.383 -2.620 -9.278 1.00 0.00 C ATOM 1055 CG ASN A 72 4.608 -1.155 -9.598 1.00 0.00 C ATOM 1056 OD1 ASN A 72 4.110 -0.644 -10.601 1.00 0.00 O ATOM 1057 ND2 ASN A 72 5.361 -0.472 -8.743 1.00 0.00 N ATOM 0 H ASN A 72 1.247 -2.451 -9.650 1.00 0.00 H new ATOM 0 HA ASN A 72 3.034 -2.661 -10.951 1.00 0.00 H new ATOM 0 HB2 ASN A 72 4.242 -2.737 -8.203 1.00 0.00 H new ATOM 0 HB3 ASN A 72 5.273 -3.189 -9.546 1.00 0.00 H new ATOM 0 HD21 ASN A 72 5.547 0.518 -8.905 1.00 0.00 H new ATOM 0 HD22 ASN A 72 5.753 -0.937 -7.924 1.00 0.00 H new ATOM 1064 N ASN A 73 2.354 -5.363 -10.742 1.00 0.00 N ATOM 1065 CA ASN A 73 2.450 -6.779 -11.077 1.00 0.00 C ATOM 1066 C ASN A 73 2.701 -7.618 -9.828 1.00 0.00 C ATOM 1067 O ASN A 73 3.505 -8.550 -9.845 1.00 0.00 O ATOM 1068 CB ASN A 73 3.569 -7.010 -12.094 1.00 0.00 C ATOM 1069 CG ASN A 73 3.480 -6.064 -13.276 1.00 0.00 C ATOM 1070 OD1 ASN A 73 2.724 -6.299 -14.219 1.00 0.00 O ATOM 1071 ND2 ASN A 73 4.255 -4.986 -13.231 1.00 0.00 N ATOM 0 H ASN A 73 1.421 -4.966 -10.852 1.00 0.00 H new ATOM 0 HA ASN A 73 1.501 -7.088 -11.516 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.534 -6.884 -11.603 1.00 0.00 H new ATOM 0 HB3 ASN A 73 3.525 -8.039 -12.451 1.00 0.00 H new ATOM 0 HD21 ASN A 73 4.238 -4.314 -13.998 1.00 0.00 H new ATOM 0 HD22 ASN A 73 4.867 -4.831 -12.430 1.00 0.00 H new ATOM 1078 N ARG A 74 2.008 -7.280 -8.746 1.00 0.00 N ATOM 1079 CA ARG A 74 2.157 -8.001 -7.487 1.00 0.00 C ATOM 1080 C ARG A 74 0.823 -8.092 -6.752 1.00 0.00 C ATOM 1081 O ARG A 74 0.093 -7.107 -6.646 1.00 0.00 O ATOM 1082 CB ARG A 74 3.195 -7.312 -6.600 1.00 0.00 C ATOM 1083 CG ARG A 74 4.599 -7.324 -7.182 1.00 0.00 C ATOM 1084 CD ARG A 74 5.366 -8.567 -6.762 1.00 0.00 C ATOM 1085 NE ARG A 74 6.685 -8.634 -7.386 1.00 0.00 N ATOM 1086 CZ ARG A 74 7.620 -9.511 -7.036 1.00 0.00 C ATOM 1087 NH1 ARG A 74 7.382 -10.390 -6.073 1.00 0.00 N ATOM 1088 NH2 ARG A 74 8.796 -9.509 -7.651 1.00 0.00 N ATOM 0 H ARG A 74 1.338 -6.512 -8.715 1.00 0.00 H new ATOM 0 HA ARG A 74 2.497 -9.012 -7.714 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.889 -6.279 -6.433 1.00 0.00 H new ATOM 0 HB3 ARG A 74 3.210 -7.802 -5.626 1.00 0.00 H new ATOM 0 HG2 ARG A 74 4.543 -7.280 -8.270 1.00 0.00 H new ATOM 0 HG3 ARG A 74 5.137 -6.435 -6.854 1.00 0.00 H new ATOM 0 HD2 ARG A 74 5.477 -8.575 -5.678 1.00 0.00 H new ATOM 0 HD3 ARG A 74 4.793 -9.454 -7.030 1.00 0.00 H new ATOM 0 HE ARG A 74 6.900 -7.971 -8.131 1.00 0.00 H new ATOM 0 HH11 ARG A 74 6.479 -10.395 -5.598 1.00 0.00 H new ATOM 0 HH12 ARG A 74 8.102 -11.062 -5.807 1.00 0.00 H new ATOM 0 HH21 ARG A 74 8.983 -8.834 -8.393 1.00 0.00 H new ATOM 0 HH22 ARG A 74 9.513 -10.182 -7.382 1.00 0.00 H new ATOM 1102 N ALA A 75 0.512 -9.281 -6.247 1.00 0.00 N ATOM 1103 CA ALA A 75 -0.733 -9.501 -5.520 1.00 0.00 C ATOM 1104 C ALA A 75 -0.713 -8.792 -4.170 1.00 0.00 C ATOM 1105 O ALA A 75 0.192 -9.000 -3.363 1.00 0.00 O ATOM 1106 CB ALA A 75 -0.979 -10.990 -5.333 1.00 0.00 C ATOM 0 H ALA A 75 1.105 -10.107 -6.328 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.548 -9.081 -6.109 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.912 -11.139 -4.789 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.046 -11.473 -6.308 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.155 -11.427 -4.768 1.00 0.00 H new ATOM 1112 N ALA A 76 -1.716 -7.953 -3.933 1.00 0.00 N ATOM 1113 CA ALA A 76 -1.814 -7.214 -2.680 1.00 0.00 C ATOM 1114 C ALA A 76 -1.586 -8.131 -1.483 1.00 0.00 C ATOM 1115 O ALA A 76 -0.691 -7.896 -0.671 1.00 0.00 O ATOM 1116 CB ALA A 76 -3.169 -6.532 -2.574 1.00 0.00 C ATOM 0 H ALA A 76 -2.472 -7.768 -4.592 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.035 -6.452 -2.674 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -3.228 -5.984 -1.634 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.294 -5.839 -3.406 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -3.958 -7.283 -2.606 1.00 0.00 H new ATOM 1122 N ASP A 77 -2.400 -9.175 -1.380 1.00 0.00 N ATOM 1123 CA ASP A 77 -2.287 -10.127 -0.282 1.00 0.00 C ATOM 1124 C ASP A 77 -0.838 -10.561 -0.086 1.00 0.00 C ATOM 1125 O ASP A 77 -0.357 -10.663 1.043 1.00 0.00 O ATOM 1126 CB ASP A 77 -3.167 -11.350 -0.546 1.00 0.00 C ATOM 1127 CG ASP A 77 -3.259 -11.689 -2.021 1.00 0.00 C ATOM 1128 OD1 ASP A 77 -2.393 -12.442 -2.512 1.00 0.00 O ATOM 1129 OD2 ASP A 77 -4.197 -11.200 -2.685 1.00 0.00 O ATOM 0 H ASP A 77 -3.146 -9.384 -2.044 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.627 -9.635 0.629 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -2.766 -12.206 -0.004 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -4.168 -11.165 -0.155 1.00 0.00 H new ATOM 1134 N ALA A 78 -0.147 -10.816 -1.192 1.00 0.00 N ATOM 1135 CA ALA A 78 1.248 -11.237 -1.142 1.00 0.00 C ATOM 1136 C ALA A 78 2.133 -10.137 -0.566 1.00 0.00 C ATOM 1137 O ALA A 78 3.106 -10.414 0.136 1.00 0.00 O ATOM 1138 CB ALA A 78 1.729 -11.634 -2.529 1.00 0.00 C ATOM 0 H ALA A 78 -0.530 -10.738 -2.134 1.00 0.00 H new ATOM 0 HA ALA A 78 1.318 -12.103 -0.484 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.772 -11.946 -2.477 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.122 -12.459 -2.903 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.638 -10.782 -3.203 1.00 0.00 H new ATOM 1144 N LEU A 79 1.791 -8.890 -0.869 1.00 0.00 N ATOM 1145 CA LEU A 79 2.556 -7.747 -0.382 1.00 0.00 C ATOM 1146 C LEU A 79 2.214 -7.443 1.073 1.00 0.00 C ATOM 1147 O LEU A 79 1.044 -7.304 1.430 1.00 0.00 O ATOM 1148 CB LEU A 79 2.282 -6.518 -1.250 1.00 0.00 C ATOM 1149 CG LEU A 79 2.459 -6.707 -2.757 1.00 0.00 C ATOM 1150 CD1 LEU A 79 1.798 -5.570 -3.519 1.00 0.00 C ATOM 1151 CD2 LEU A 79 3.936 -6.803 -3.112 1.00 0.00 C ATOM 0 H LEU A 79 0.989 -8.644 -1.450 1.00 0.00 H new ATOM 0 HA LEU A 79 3.615 -7.998 -0.442 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.261 -6.187 -1.063 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.942 -5.714 -0.925 1.00 0.00 H new ATOM 0 HG LEU A 79 1.975 -7.640 -3.047 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.934 -5.722 -4.590 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.733 -5.548 -3.288 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.252 -4.623 -3.226 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.044 -6.937 -4.188 1.00 0.00 H new ATOM 0 HD22 LEU A 79 4.444 -5.887 -2.808 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.380 -7.653 -2.594 1.00 0.00 H new ATOM 1163 N ASN A 80 3.242 -7.339 1.909 1.00 0.00 N ATOM 1164 CA ASN A 80 3.050 -7.049 3.325 1.00 0.00 C ATOM 1165 C ASN A 80 3.457 -5.615 3.647 1.00 0.00 C ATOM 1166 O ASN A 80 4.071 -4.934 2.825 1.00 0.00 O ATOM 1167 CB ASN A 80 3.860 -8.025 4.181 1.00 0.00 C ATOM 1168 CG ASN A 80 5.346 -7.956 3.887 1.00 0.00 C ATOM 1169 OD1 ASN A 80 5.797 -7.119 3.105 1.00 0.00 O ATOM 1170 ND2 ASN A 80 6.115 -8.839 4.514 1.00 0.00 N ATOM 0 H ASN A 80 4.217 -7.451 1.630 1.00 0.00 H new ATOM 0 HA ASN A 80 1.991 -7.167 3.554 1.00 0.00 H new ATOM 0 HB2 ASN A 80 3.690 -7.806 5.235 1.00 0.00 H new ATOM 0 HB3 ASN A 80 3.504 -9.040 4.005 1.00 0.00 H new ATOM 0 HD21 ASN A 80 7.123 -8.841 4.356 1.00 0.00 H new ATOM 0 HD22 ASN A 80 5.698 -9.515 5.154 1.00 0.00 H new ATOM 1177 N SER A 81 3.111 -5.162 4.848 1.00 0.00 N ATOM 1178 CA SER A 81 3.438 -3.808 5.278 1.00 0.00 C ATOM 1179 C SER A 81 4.836 -3.412 4.812 1.00 0.00 C ATOM 1180 O SER A 81 5.079 -2.261 4.452 1.00 0.00 O ATOM 1181 CB SER A 81 3.344 -3.697 6.801 1.00 0.00 C ATOM 1182 OG SER A 81 4.300 -4.530 7.432 1.00 0.00 O ATOM 0 H SER A 81 2.604 -5.713 5.540 1.00 0.00 H new ATOM 0 HA SER A 81 2.718 -3.126 4.826 1.00 0.00 H new ATOM 0 HB2 SER A 81 3.502 -2.662 7.104 1.00 0.00 H new ATOM 0 HB3 SER A 81 2.342 -3.975 7.128 1.00 0.00 H new ATOM 0 HG SER A 81 4.221 -4.440 8.405 1.00 0.00 H new ATOM 1188 N SER A 82 5.751 -4.376 4.824 1.00 0.00 N ATOM 1189 CA SER A 82 7.126 -4.129 4.407 1.00 0.00 C ATOM 1190 C SER A 82 7.192 -3.793 2.920 1.00 0.00 C ATOM 1191 O SER A 82 7.541 -2.676 2.540 1.00 0.00 O ATOM 1192 CB SER A 82 7.999 -5.350 4.705 1.00 0.00 C ATOM 1193 OG SER A 82 9.298 -5.193 4.161 1.00 0.00 O ATOM 0 H SER A 82 5.565 -5.335 5.118 1.00 0.00 H new ATOM 0 HA SER A 82 7.502 -3.276 4.971 1.00 0.00 H new ATOM 0 HB2 SER A 82 8.068 -5.497 5.783 1.00 0.00 H new ATOM 0 HB3 SER A 82 7.533 -6.244 4.290 1.00 0.00 H new ATOM 0 HG SER A 82 9.837 -5.985 4.366 1.00 0.00 H new ATOM 1199 N MET A 83 6.852 -4.769 2.084 1.00 0.00 N ATOM 1200 CA MET A 83 6.871 -4.577 0.639 1.00 0.00 C ATOM 1201 C MET A 83 6.152 -3.288 0.252 1.00 0.00 C ATOM 1202 O MET A 83 6.700 -2.451 -0.465 1.00 0.00 O ATOM 1203 CB MET A 83 6.219 -5.769 -0.064 1.00 0.00 C ATOM 1204 CG MET A 83 7.174 -6.926 -0.310 1.00 0.00 C ATOM 1205 SD MET A 83 6.368 -8.338 -1.089 1.00 0.00 S ATOM 1206 CE MET A 83 5.979 -9.340 0.344 1.00 0.00 C ATOM 0 H MET A 83 6.560 -5.700 2.382 1.00 0.00 H new ATOM 0 HA MET A 83 7.911 -4.501 0.321 1.00 0.00 H new ATOM 0 HB2 MET A 83 5.381 -6.122 0.538 1.00 0.00 H new ATOM 0 HB3 MET A 83 5.809 -5.438 -1.018 1.00 0.00 H new ATOM 0 HG2 MET A 83 7.995 -6.587 -0.942 1.00 0.00 H new ATOM 0 HG3 MET A 83 7.611 -7.239 0.638 1.00 0.00 H new ATOM 0 HE1 MET A 83 5.674 -10.335 0.020 1.00 0.00 H new ATOM 0 HE2 MET A 83 6.859 -9.420 0.982 1.00 0.00 H new ATOM 0 HE3 MET A 83 5.167 -8.875 0.903 1.00 0.00 H new ATOM 1216 N LEU A 84 4.922 -3.136 0.731 1.00 0.00 N ATOM 1217 CA LEU A 84 4.127 -1.949 0.435 1.00 0.00 C ATOM 1218 C LEU A 84 4.938 -0.678 0.671 1.00 0.00 C ATOM 1219 O LEU A 84 4.930 0.237 -0.152 1.00 0.00 O ATOM 1220 CB LEU A 84 2.864 -1.929 1.297 1.00 0.00 C ATOM 1221 CG LEU A 84 1.703 -2.794 0.807 1.00 0.00 C ATOM 1222 CD1 LEU A 84 0.719 -3.057 1.936 1.00 0.00 C ATOM 1223 CD2 LEU A 84 1.003 -2.131 -0.370 1.00 0.00 C ATOM 0 H LEU A 84 4.454 -3.820 1.326 1.00 0.00 H new ATOM 0 HA LEU A 84 3.841 -1.986 -0.616 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.130 -2.250 2.304 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.516 -0.899 1.373 1.00 0.00 H new ATOM 0 HG LEU A 84 2.104 -3.751 0.473 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.101 -3.674 1.568 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.228 -3.576 2.748 1.00 0.00 H new ATOM 0 HD13 LEU A 84 0.323 -2.110 2.302 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.179 -2.761 -0.705 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.615 -1.160 -0.063 1.00 0.00 H new ATOM 0 HD23 LEU A 84 1.713 -1.996 -1.186 1.00 0.00 H new ATOM 1235 N LYS A 85 5.638 -0.630 1.799 1.00 0.00 N ATOM 1236 CA LYS A 85 6.457 0.526 2.142 1.00 0.00 C ATOM 1237 C LYS A 85 7.361 0.918 0.977 1.00 0.00 C ATOM 1238 O LYS A 85 7.394 2.078 0.568 1.00 0.00 O ATOM 1239 CB LYS A 85 7.305 0.226 3.381 1.00 0.00 C ATOM 1240 CG LYS A 85 7.810 1.472 4.088 1.00 0.00 C ATOM 1241 CD LYS A 85 8.792 1.125 5.195 1.00 0.00 C ATOM 1242 CE LYS A 85 10.162 0.777 4.635 1.00 0.00 C ATOM 1243 NZ LYS A 85 10.983 1.993 4.381 1.00 0.00 N ATOM 0 H LYS A 85 5.654 -1.379 2.491 1.00 0.00 H new ATOM 0 HA LYS A 85 5.790 1.361 2.358 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.714 -0.365 4.081 1.00 0.00 H new ATOM 0 HB3 LYS A 85 8.158 -0.386 3.088 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.292 2.131 3.366 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.967 2.021 4.507 1.00 0.00 H new ATOM 0 HD2 LYS A 85 8.881 1.967 5.881 1.00 0.00 H new ATOM 0 HD3 LYS A 85 8.409 0.283 5.772 1.00 0.00 H new ATOM 0 HE2 LYS A 85 10.685 0.125 5.335 1.00 0.00 H new ATOM 0 HE3 LYS A 85 10.044 0.218 3.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 11.909 1.713 4.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 10.496 2.603 3.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 11.118 2.513 5.271 1.00 0.00 H new ATOM 1257 N ASP A 86 8.092 -0.057 0.447 1.00 0.00 N ATOM 1258 CA ASP A 86 8.994 0.186 -0.672 1.00 0.00 C ATOM 1259 C ASP A 86 8.259 0.860 -1.826 1.00 0.00 C ATOM 1260 O ASP A 86 8.646 1.939 -2.277 1.00 0.00 O ATOM 1261 CB ASP A 86 9.617 -1.128 -1.147 1.00 0.00 C ATOM 1262 CG ASP A 86 10.645 -1.666 -0.171 1.00 0.00 C ATOM 1263 OD1 ASP A 86 10.259 -2.023 0.962 1.00 0.00 O ATOM 1264 OD2 ASP A 86 11.836 -1.731 -0.541 1.00 0.00 O ATOM 0 H ASP A 86 8.077 -1.023 0.775 1.00 0.00 H new ATOM 0 HA ASP A 86 9.786 0.853 -0.330 1.00 0.00 H new ATOM 0 HB2 ASP A 86 8.831 -1.870 -1.288 1.00 0.00 H new ATOM 0 HB3 ASP A 86 10.088 -0.974 -2.118 1.00 0.00 H new ATOM 1269 N PHE A 87 7.197 0.218 -2.301 1.00 0.00 N ATOM 1270 CA PHE A 87 6.408 0.754 -3.404 1.00 0.00 C ATOM 1271 C PHE A 87 6.097 2.231 -3.182 1.00 0.00 C ATOM 1272 O PHE A 87 6.447 3.081 -4.002 1.00 0.00 O ATOM 1273 CB PHE A 87 5.106 -0.035 -3.559 1.00 0.00 C ATOM 1274 CG PHE A 87 5.262 -1.298 -4.357 1.00 0.00 C ATOM 1275 CD1 PHE A 87 5.958 -1.294 -5.556 1.00 0.00 C ATOM 1276 CD2 PHE A 87 4.713 -2.488 -3.910 1.00 0.00 C ATOM 1277 CE1 PHE A 87 6.104 -2.454 -6.293 1.00 0.00 C ATOM 1278 CE2 PHE A 87 4.856 -3.652 -4.642 1.00 0.00 C ATOM 1279 CZ PHE A 87 5.551 -3.634 -5.836 1.00 0.00 C ATOM 0 H PHE A 87 6.863 -0.675 -1.939 1.00 0.00 H new ATOM 0 HA PHE A 87 6.994 0.657 -4.318 1.00 0.00 H new ATOM 0 HB2 PHE A 87 4.722 -0.285 -2.570 1.00 0.00 H new ATOM 0 HB3 PHE A 87 4.361 0.599 -4.040 1.00 0.00 H new ATOM 0 HD1 PHE A 87 6.391 -0.373 -5.918 1.00 0.00 H new ATOM 0 HD2 PHE A 87 4.167 -2.507 -2.979 1.00 0.00 H new ATOM 0 HE1 PHE A 87 6.650 -2.438 -7.225 1.00 0.00 H new ATOM 0 HE2 PHE A 87 4.425 -4.574 -4.281 1.00 0.00 H new ATOM 0 HZ PHE A 87 5.662 -4.541 -6.411 1.00 0.00 H new ATOM 1289 N LEU A 88 5.437 2.530 -2.068 1.00 0.00 N ATOM 1290 CA LEU A 88 5.078 3.904 -1.737 1.00 0.00 C ATOM 1291 C LEU A 88 6.304 4.811 -1.771 1.00 0.00 C ATOM 1292 O LEU A 88 6.183 6.030 -1.892 1.00 0.00 O ATOM 1293 CB LEU A 88 4.424 3.963 -0.355 1.00 0.00 C ATOM 1294 CG LEU A 88 3.147 3.141 -0.182 1.00 0.00 C ATOM 1295 CD1 LEU A 88 2.731 3.103 1.281 1.00 0.00 C ATOM 1296 CD2 LEU A 88 2.027 3.707 -1.043 1.00 0.00 C ATOM 0 H LEU A 88 5.140 1.839 -1.379 1.00 0.00 H new ATOM 0 HA LEU A 88 4.367 4.257 -2.484 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.151 3.627 0.384 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.196 5.004 -0.127 1.00 0.00 H new ATOM 0 HG LEU A 88 3.348 2.120 -0.508 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.820 2.514 1.385 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.526 2.650 1.874 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.549 4.118 1.634 1.00 0.00 H new ATOM 0 HD21 LEU A 88 1.126 3.109 -0.907 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.827 4.737 -0.749 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.325 3.681 -2.091 1.00 0.00 H new ATOM 1308 N SER A 89 7.483 4.207 -1.666 1.00 0.00 N ATOM 1309 CA SER A 89 8.732 4.961 -1.683 1.00 0.00 C ATOM 1310 C SER A 89 9.419 4.843 -3.041 1.00 0.00 C ATOM 1311 O SER A 89 10.645 4.795 -3.125 1.00 0.00 O ATOM 1312 CB SER A 89 9.668 4.462 -0.581 1.00 0.00 C ATOM 1313 OG SER A 89 9.452 5.168 0.629 1.00 0.00 O ATOM 0 H SER A 89 7.600 3.198 -1.568 1.00 0.00 H new ATOM 0 HA SER A 89 8.497 6.010 -1.503 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.507 3.396 -0.418 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.704 4.583 -0.897 1.00 0.00 H new ATOM 0 HG SER A 89 10.061 4.830 1.318 1.00 0.00 H new ATOM 1319 N GLN A 90 8.617 4.797 -4.100 1.00 0.00 N ATOM 1320 CA GLN A 90 9.148 4.684 -5.454 1.00 0.00 C ATOM 1321 C GLN A 90 8.734 5.882 -6.302 1.00 0.00 C ATOM 1322 O GLN A 90 7.706 6.516 -6.065 1.00 0.00 O ATOM 1323 CB GLN A 90 8.662 3.389 -6.108 1.00 0.00 C ATOM 1324 CG GLN A 90 9.235 2.133 -5.471 1.00 0.00 C ATOM 1325 CD GLN A 90 9.120 0.918 -6.369 1.00 0.00 C ATOM 1326 OE1 GLN A 90 9.002 1.042 -7.588 1.00 0.00 O ATOM 1327 NE2 GLN A 90 9.153 -0.267 -5.770 1.00 0.00 N ATOM 0 H GLN A 90 7.599 4.836 -4.047 1.00 0.00 H new ATOM 0 HA GLN A 90 10.236 4.665 -5.391 1.00 0.00 H new ATOM 0 HB2 GLN A 90 7.574 3.350 -6.053 1.00 0.00 H new ATOM 0 HB3 GLN A 90 8.928 3.404 -7.165 1.00 0.00 H new ATOM 0 HG2 GLN A 90 10.284 2.301 -5.226 1.00 0.00 H new ATOM 0 HG3 GLN A 90 8.716 1.937 -4.533 1.00 0.00 H new ATOM 0 HE21 GLN A 90 9.252 -0.324 -4.756 1.00 0.00 H new ATOM 0 HE22 GLN A 90 9.079 -1.121 -6.324 1.00 0.00 H new ATOM 1336 N PRO A 91 9.553 6.200 -7.316 1.00 0.00 N ATOM 1337 CA PRO A 91 9.293 7.324 -8.220 1.00 0.00 C ATOM 1338 C PRO A 91 8.100 7.068 -9.135 1.00 0.00 C ATOM 1339 O PRO A 91 7.417 8.002 -9.556 1.00 0.00 O ATOM 1340 CB PRO A 91 10.582 7.427 -9.039 1.00 0.00 C ATOM 1341 CG PRO A 91 11.166 6.057 -8.999 1.00 0.00 C ATOM 1342 CD PRO A 91 10.795 5.488 -7.657 1.00 0.00 C ATOM 0 HA PRO A 91 9.044 8.235 -7.676 1.00 0.00 H new ATOM 0 HB2 PRO A 91 10.377 7.740 -10.063 1.00 0.00 H new ATOM 0 HB3 PRO A 91 11.265 8.161 -8.612 1.00 0.00 H new ATOM 0 HG2 PRO A 91 10.771 5.441 -9.807 1.00 0.00 H new ATOM 0 HG3 PRO A 91 12.248 6.090 -9.123 1.00 0.00 H new ATOM 0 HD2 PRO A 91 10.640 4.410 -7.707 1.00 0.00 H new ATOM 0 HD3 PRO A 91 11.575 5.664 -6.916 1.00 0.00 H new ATOM 1350 N SER A 92 7.855 5.798 -9.439 1.00 0.00 N ATOM 1351 CA SER A 92 6.746 5.419 -10.307 1.00 0.00 C ATOM 1352 C SER A 92 6.039 4.177 -9.774 1.00 0.00 C ATOM 1353 O SER A 92 6.670 3.152 -9.513 1.00 0.00 O ATOM 1354 CB SER A 92 7.249 5.163 -11.729 1.00 0.00 C ATOM 1355 OG SER A 92 8.192 4.106 -11.754 1.00 0.00 O ATOM 0 H SER A 92 8.410 5.013 -9.097 1.00 0.00 H new ATOM 0 HA SER A 92 6.032 6.242 -10.324 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.407 4.919 -12.377 1.00 0.00 H new ATOM 0 HB3 SER A 92 7.704 6.070 -12.126 1.00 0.00 H new ATOM 0 HG SER A 92 8.082 3.551 -10.954 1.00 0.00 H new ATOM 1361 N LEU A 93 4.724 4.276 -9.614 1.00 0.00 N ATOM 1362 CA LEU A 93 3.928 3.162 -9.112 1.00 0.00 C ATOM 1363 C LEU A 93 2.789 2.831 -10.071 1.00 0.00 C ATOM 1364 O LEU A 93 2.236 3.715 -10.724 1.00 0.00 O ATOM 1365 CB LEU A 93 3.365 3.493 -7.728 1.00 0.00 C ATOM 1366 CG LEU A 93 4.322 3.301 -6.551 1.00 0.00 C ATOM 1367 CD1 LEU A 93 3.701 3.829 -5.267 1.00 0.00 C ATOM 1368 CD2 LEU A 93 4.695 1.834 -6.401 1.00 0.00 C ATOM 0 H LEU A 93 4.186 5.117 -9.825 1.00 0.00 H new ATOM 0 HA LEU A 93 4.578 2.290 -9.034 1.00 0.00 H new ATOM 0 HB2 LEU A 93 3.030 4.530 -7.733 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.484 2.874 -7.559 1.00 0.00 H new ATOM 0 HG LEU A 93 5.231 3.868 -6.751 1.00 0.00 H new ATOM 0 HD11 LEU A 93 4.396 3.684 -4.440 1.00 0.00 H new ATOM 0 HD12 LEU A 93 3.485 4.892 -5.377 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.776 3.290 -5.062 1.00 0.00 H new ATOM 0 HD21 LEU A 93 5.377 1.716 -5.559 1.00 0.00 H new ATOM 0 HD22 LEU A 93 3.794 1.246 -6.224 1.00 0.00 H new ATOM 0 HD23 LEU A 93 5.182 1.487 -7.313 1.00 0.00 H new ATOM 1380 N GLY A 94 2.440 1.550 -10.148 1.00 0.00 N ATOM 1381 CA GLY A 94 1.367 1.125 -11.028 1.00 0.00 C ATOM 1382 C GLY A 94 0.335 0.273 -10.315 1.00 0.00 C ATOM 1383 O GLY A 94 0.532 -0.928 -10.128 1.00 0.00 O ATOM 0 H GLY A 94 2.881 0.799 -9.617 1.00 0.00 H new ATOM 0 HA2 GLY A 94 0.879 2.003 -11.451 1.00 0.00 H new ATOM 0 HA3 GLY A 94 1.786 0.561 -11.861 1.00 0.00 H new ATOM 1387 N LEU A 95 -0.767 0.896 -9.912 1.00 0.00 N ATOM 1388 CA LEU A 95 -1.834 0.188 -9.213 1.00 0.00 C ATOM 1389 C LEU A 95 -2.903 -0.290 -10.192 1.00 0.00 C ATOM 1390 O LEU A 95 -2.956 0.160 -11.337 1.00 0.00 O ATOM 1391 CB LEU A 95 -2.464 1.092 -8.153 1.00 0.00 C ATOM 1392 CG LEU A 95 -1.492 1.778 -7.192 1.00 0.00 C ATOM 1393 CD1 LEU A 95 -2.096 3.064 -6.650 1.00 0.00 C ATOM 1394 CD2 LEU A 95 -1.118 0.841 -6.054 1.00 0.00 C ATOM 0 H LEU A 95 -0.945 1.890 -10.057 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.399 -0.684 -8.725 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -3.046 1.862 -8.660 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.164 0.497 -7.567 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.585 2.030 -7.741 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.390 3.538 -5.968 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.313 3.741 -7.476 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.019 2.836 -6.116 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -0.426 1.345 -5.380 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -2.017 0.557 -5.506 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -0.643 -0.052 -6.459 1.00 0.00 H new ATOM 1406 N LEU A 96 -3.753 -1.201 -9.732 1.00 0.00 N ATOM 1407 CA LEU A 96 -4.822 -1.739 -10.566 1.00 0.00 C ATOM 1408 C LEU A 96 -6.145 -1.763 -9.806 1.00 0.00 C ATOM 1409 O LEU A 96 -6.370 -2.627 -8.958 1.00 0.00 O ATOM 1410 CB LEU A 96 -4.467 -3.149 -11.039 1.00 0.00 C ATOM 1411 CG LEU A 96 -5.476 -3.817 -11.975 1.00 0.00 C ATOM 1412 CD1 LEU A 96 -5.600 -3.033 -13.273 1.00 0.00 C ATOM 1413 CD2 LEU A 96 -5.071 -5.256 -12.256 1.00 0.00 C ATOM 0 H LEU A 96 -3.723 -1.583 -8.787 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.934 -1.089 -11.434 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.503 -3.109 -11.546 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.340 -3.784 -10.162 1.00 0.00 H new ATOM 0 HG LEU A 96 -6.449 -3.824 -11.484 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -6.322 -3.523 -13.926 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -5.937 -2.020 -13.055 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -4.630 -2.994 -13.769 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -5.800 -5.715 -12.923 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.088 -5.272 -12.726 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.034 -5.813 -11.320 1.00 0.00 H new ATOM 1425 N VAL A 97 -7.018 -0.810 -10.117 1.00 0.00 N ATOM 1426 CA VAL A 97 -8.320 -0.724 -9.466 1.00 0.00 C ATOM 1427 C VAL A 97 -9.449 -0.941 -10.466 1.00 0.00 C ATOM 1428 O VAL A 97 -9.255 -0.816 -11.675 1.00 0.00 O ATOM 1429 CB VAL A 97 -8.514 0.641 -8.778 1.00 0.00 C ATOM 1430 CG1 VAL A 97 -7.497 0.825 -7.661 1.00 0.00 C ATOM 1431 CG2 VAL A 97 -8.413 1.769 -9.794 1.00 0.00 C ATOM 0 H VAL A 97 -6.847 -0.087 -10.816 1.00 0.00 H new ATOM 0 HA VAL A 97 -8.350 -1.511 -8.712 1.00 0.00 H new ATOM 0 HB VAL A 97 -9.511 0.668 -8.338 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -7.649 1.794 -7.186 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -7.623 0.035 -6.921 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -6.490 0.778 -8.075 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -8.552 2.726 -9.291 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -7.431 1.747 -10.266 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -9.184 1.644 -10.555 1.00 0.00 H new ATOM 1441 N ARG A 98 -10.631 -1.267 -9.953 1.00 0.00 N ATOM 1442 CA ARG A 98 -11.793 -1.503 -10.801 1.00 0.00 C ATOM 1443 C ARG A 98 -12.790 -0.353 -10.691 1.00 0.00 C ATOM 1444 O ARG A 98 -12.844 0.341 -9.675 1.00 0.00 O ATOM 1445 CB ARG A 98 -12.473 -2.819 -10.418 1.00 0.00 C ATOM 1446 CG ARG A 98 -11.937 -4.024 -11.174 1.00 0.00 C ATOM 1447 CD ARG A 98 -12.598 -5.312 -10.710 1.00 0.00 C ATOM 1448 NE ARG A 98 -12.442 -5.520 -9.273 1.00 0.00 N ATOM 1449 CZ ARG A 98 -13.101 -6.448 -8.588 1.00 0.00 C ATOM 1450 NH1 ARG A 98 -13.956 -7.251 -9.208 1.00 0.00 N ATOM 1451 NH2 ARG A 98 -12.905 -6.576 -7.282 1.00 0.00 N ATOM 0 H ARG A 98 -10.809 -1.374 -8.954 1.00 0.00 H new ATOM 0 HA ARG A 98 -11.450 -1.566 -11.834 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -12.346 -2.986 -9.348 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -13.544 -2.732 -10.602 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -12.108 -3.890 -12.242 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -10.859 -4.095 -11.030 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -13.659 -5.285 -10.959 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -12.165 -6.156 -11.248 1.00 0.00 H new ATOM 0 HE ARG A 98 -11.791 -4.919 -8.767 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -14.108 -7.156 -10.212 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -14.461 -7.963 -8.681 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -12.247 -5.961 -6.802 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -13.412 -7.289 -6.758 1.00 0.00 H new ATOM 1465 N THR A 99 -13.578 -0.155 -11.743 1.00 0.00 N ATOM 1466 CA THR A 99 -14.571 0.911 -11.765 1.00 0.00 C ATOM 1467 C THR A 99 -15.768 0.530 -12.629 1.00 0.00 C ATOM 1468 O THR A 99 -15.678 -0.362 -13.473 1.00 0.00 O ATOM 1469 CB THR A 99 -13.970 2.227 -12.293 1.00 0.00 C ATOM 1470 OG1 THR A 99 -14.939 3.278 -12.206 1.00 0.00 O ATOM 1471 CG2 THR A 99 -13.511 2.073 -13.736 1.00 0.00 C ATOM 0 H THR A 99 -13.547 -0.720 -12.592 1.00 0.00 H new ATOM 0 HA THR A 99 -14.901 1.057 -10.736 1.00 0.00 H new ATOM 0 HB THR A 99 -13.106 2.478 -11.678 1.00 0.00 H new ATOM 0 HG1 THR A 99 -14.548 4.112 -12.542 1.00 0.00 H new ATOM 0 HG21 THR A 99 -13.090 3.015 -14.087 1.00 0.00 H new ATOM 0 HG22 THR A 99 -12.752 1.293 -13.795 1.00 0.00 H new ATOM 0 HG23 THR A 99 -14.361 1.800 -14.361 1.00 0.00 H new ATOM 1479 N TYR A 100 -16.888 1.211 -12.413 1.00 0.00 N ATOM 1480 CA TYR A 100 -18.104 0.942 -13.171 1.00 0.00 C ATOM 1481 C TYR A 100 -18.110 1.716 -14.485 1.00 0.00 C ATOM 1482 O TYR A 100 -17.799 2.907 -14.535 1.00 0.00 O ATOM 1483 CB TYR A 100 -19.337 1.309 -12.344 1.00 0.00 C ATOM 1484 CG TYR A 100 -19.312 0.752 -10.939 1.00 0.00 C ATOM 1485 CD1 TYR A 100 -18.561 1.361 -9.941 1.00 0.00 C ATOM 1486 CD2 TYR A 100 -20.041 -0.385 -10.609 1.00 0.00 C ATOM 1487 CE1 TYR A 100 -18.535 0.854 -8.657 1.00 0.00 C ATOM 1488 CE2 TYR A 100 -20.022 -0.898 -9.326 1.00 0.00 C ATOM 1489 CZ TYR A 100 -19.267 -0.275 -8.354 1.00 0.00 C ATOM 1490 OH TYR A 100 -19.245 -0.782 -7.075 1.00 0.00 O ATOM 0 H TYR A 100 -16.979 1.953 -11.719 1.00 0.00 H new ATOM 0 HA TYR A 100 -18.131 -0.124 -13.399 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -19.420 2.395 -12.294 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -20.228 0.944 -12.855 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -17.988 2.246 -10.174 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -20.632 -0.876 -11.368 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -17.944 1.339 -7.894 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -20.595 -1.781 -9.086 1.00 0.00 H new ATOM 0 HH TYR A 100 -19.814 -1.578 -7.029 1.00 0.00 H new