USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 410 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 41 ASN : amide:sc= -1.48 K(o=-1.4,f=-11!) USER MOD Set 1.2: A 43 SER OG : rot 70:sc= 0.0328 USER MOD Set 2.1: A 17 ASN : amide:sc= -0.488 K(o=0.64,f=-2.2!) USER MOD Set 2.2: A 19 SER OG : rot -118:sc= 1.12 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.464 K(o=-0.46,f=-4.4!) USER MOD Single : A 16 ASN : amide:sc= -1.24 K(o=-1.2,f=-4.4!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -59:sc= 0.192 USER MOD Single : A 27 ASN : amide:sc= -0.0149 X(o=-0.015,f=-0.015) USER MOD Single : A 30 SER OG : rot 180:sc= -0.0158 USER MOD Single : A 31 SER OG : rot -49:sc= 1.08 USER MOD Single : A 32 ASN :FLIP amide:sc= 0.141! F(o=-0.65,f=0.14!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.701 K(o=-0.7,f=-5.6!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 9:sc= 0.99 USER MOD Single : A 49 THR OG1 : rot -78:sc=-0.00181 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 152:sc= 0.413 (180deg=0.158) USER MOD ----------------------------------------------------------------- ATOM 151 N GLY A 8 103.259 2.458 -1.535 1.00 0.00 N ATOM 152 CA GLY A 8 102.041 3.316 -1.403 1.00 0.00 C ATOM 153 C GLY A 8 101.982 4.363 -2.529 1.00 0.00 C ATOM 154 O GLY A 8 101.076 5.175 -2.569 1.00 0.00 O ATOM 0 HA2 GLY A 8 101.147 2.693 -1.433 1.00 0.00 H new ATOM 0 HA3 GLY A 8 102.047 3.817 -0.435 1.00 0.00 H new ATOM 158 N SER A 9 102.932 4.359 -3.441 1.00 0.00 N ATOM 159 CA SER A 9 102.872 5.310 -4.594 1.00 0.00 C ATOM 160 C SER A 9 102.055 4.701 -5.736 1.00 0.00 C ATOM 161 O SER A 9 101.996 3.494 -5.888 1.00 0.00 O ATOM 162 CB SER A 9 104.325 5.515 -5.026 1.00 0.00 C ATOM 163 OG SER A 9 105.049 6.120 -3.964 1.00 0.00 O ATOM 0 H SER A 9 103.742 3.739 -3.433 1.00 0.00 H new ATOM 0 HA SER A 9 102.394 6.252 -4.324 1.00 0.00 H new ATOM 0 HB2 SER A 9 104.776 4.559 -5.291 1.00 0.00 H new ATOM 0 HB3 SER A 9 104.367 6.144 -5.915 1.00 0.00 H new ATOM 0 HG SER A 9 105.981 6.251 -4.237 1.00 0.00 H new ATOM 169 N ASN A 10 101.424 5.526 -6.537 1.00 0.00 N ATOM 170 CA ASN A 10 100.645 5.001 -7.700 1.00 0.00 C ATOM 171 C ASN A 10 101.503 5.040 -8.965 1.00 0.00 C ATOM 172 O ASN A 10 101.877 6.097 -9.443 1.00 0.00 O ATOM 173 CB ASN A 10 99.447 5.944 -7.835 1.00 0.00 C ATOM 174 CG ASN A 10 98.413 5.332 -8.785 1.00 0.00 C ATOM 175 OD1 ASN A 10 98.763 4.650 -9.729 1.00 0.00 O ATOM 176 ND2 ASN A 10 97.144 5.548 -8.573 1.00 0.00 N ATOM 0 H ASN A 10 101.416 6.541 -6.434 1.00 0.00 H new ATOM 0 HA ASN A 10 100.333 3.967 -7.557 1.00 0.00 H new ATOM 0 HB2 ASN A 10 98.998 6.119 -6.857 1.00 0.00 H new ATOM 0 HB3 ASN A 10 99.775 6.912 -8.214 1.00 0.00 H new ATOM 0 HD21 ASN A 10 96.447 5.145 -9.199 1.00 0.00 H new ATOM 0 HD22 ASN A 10 96.849 6.120 -7.781 1.00 0.00 H new ATOM 183 N VAL A 11 101.813 3.890 -9.505 1.00 0.00 N ATOM 184 CA VAL A 11 102.622 3.830 -10.760 1.00 0.00 C ATOM 185 C VAL A 11 101.966 2.863 -11.750 1.00 0.00 C ATOM 186 O VAL A 11 101.117 2.073 -11.376 1.00 0.00 O ATOM 187 CB VAL A 11 104.013 3.322 -10.338 1.00 0.00 C ATOM 188 CG1 VAL A 11 104.666 4.340 -9.401 1.00 0.00 C ATOM 189 CG2 VAL A 11 103.894 1.973 -9.614 1.00 0.00 C ATOM 0 H VAL A 11 101.539 2.983 -9.128 1.00 0.00 H new ATOM 0 HA VAL A 11 102.692 4.800 -11.252 1.00 0.00 H new ATOM 0 HB VAL A 11 104.624 3.193 -11.231 1.00 0.00 H new ATOM 0 HG11 VAL A 11 105.651 3.980 -9.102 1.00 0.00 H new ATOM 0 HG12 VAL A 11 104.769 5.295 -9.916 1.00 0.00 H new ATOM 0 HG13 VAL A 11 104.044 4.471 -8.516 1.00 0.00 H new ATOM 0 HG21 VAL A 11 104.886 1.628 -9.322 1.00 0.00 H new ATOM 0 HG22 VAL A 11 103.275 2.091 -8.725 1.00 0.00 H new ATOM 0 HG23 VAL A 11 103.437 1.242 -10.280 1.00 0.00 H new ATOM 199 N GLU A 12 102.349 2.916 -13.002 1.00 0.00 N ATOM 200 CA GLU A 12 101.853 1.904 -13.981 1.00 0.00 C ATOM 201 C GLU A 12 103.035 1.114 -14.549 1.00 0.00 C ATOM 202 O GLU A 12 104.117 1.639 -14.721 1.00 0.00 O ATOM 203 CB GLU A 12 101.155 2.718 -15.077 1.00 0.00 C ATOM 204 CG GLU A 12 100.555 1.776 -16.128 1.00 0.00 C ATOM 205 CD GLU A 12 99.801 2.592 -17.181 1.00 0.00 C ATOM 206 OE1 GLU A 12 100.315 3.623 -17.587 1.00 0.00 O ATOM 207 OE2 GLU A 12 98.722 2.173 -17.566 1.00 0.00 O ATOM 0 H GLU A 12 102.983 3.616 -13.387 1.00 0.00 H new ATOM 0 HA GLU A 12 101.174 1.179 -13.531 1.00 0.00 H new ATOM 0 HB2 GLU A 12 100.370 3.335 -14.639 1.00 0.00 H new ATOM 0 HB3 GLU A 12 101.867 3.395 -15.548 1.00 0.00 H new ATOM 0 HG2 GLU A 12 101.345 1.194 -16.602 1.00 0.00 H new ATOM 0 HG3 GLU A 12 99.879 1.066 -15.651 1.00 0.00 H new ATOM 214 N VAL A 13 102.833 -0.146 -14.837 1.00 0.00 N ATOM 215 CA VAL A 13 103.937 -0.981 -15.397 1.00 0.00 C ATOM 216 C VAL A 13 103.432 -1.762 -16.610 1.00 0.00 C ATOM 217 O VAL A 13 102.307 -2.231 -16.624 1.00 0.00 O ATOM 218 CB VAL A 13 104.346 -1.932 -14.254 1.00 0.00 C ATOM 219 CG1 VAL A 13 103.205 -2.906 -13.923 1.00 0.00 C ATOM 220 CG2 VAL A 13 105.578 -2.738 -14.676 1.00 0.00 C ATOM 0 H VAL A 13 101.947 -0.634 -14.708 1.00 0.00 H new ATOM 0 HA VAL A 13 104.783 -0.383 -15.736 1.00 0.00 H new ATOM 0 HB VAL A 13 104.570 -1.333 -13.371 1.00 0.00 H new ATOM 0 HG11 VAL A 13 103.515 -3.568 -13.114 1.00 0.00 H new ATOM 0 HG12 VAL A 13 102.324 -2.343 -13.614 1.00 0.00 H new ATOM 0 HG13 VAL A 13 102.965 -3.499 -14.806 1.00 0.00 H new ATOM 0 HG21 VAL A 13 105.867 -3.410 -13.868 1.00 0.00 H new ATOM 0 HG22 VAL A 13 105.344 -3.321 -15.567 1.00 0.00 H new ATOM 0 HG23 VAL A 13 106.401 -2.057 -14.894 1.00 0.00 H new ATOM 230 N LEU A 14 104.245 -1.907 -17.625 1.00 0.00 N ATOM 231 CA LEU A 14 103.907 -2.896 -18.690 1.00 0.00 C ATOM 232 C LEU A 14 104.562 -4.228 -18.365 1.00 0.00 C ATOM 233 O LEU A 14 105.715 -4.281 -17.978 1.00 0.00 O ATOM 234 CB LEU A 14 104.469 -2.366 -20.017 1.00 0.00 C ATOM 235 CG LEU A 14 103.957 -0.950 -20.360 1.00 0.00 C ATOM 236 CD1 LEU A 14 103.902 -0.813 -21.882 1.00 0.00 C ATOM 237 CD2 LEU A 14 102.550 -0.707 -19.803 1.00 0.00 C ATOM 0 H LEU A 14 105.115 -1.392 -17.761 1.00 0.00 H new ATOM 0 HA LEU A 14 102.828 -3.034 -18.757 1.00 0.00 H new ATOM 0 HB2 LEU A 14 105.558 -2.351 -19.965 1.00 0.00 H new ATOM 0 HB3 LEU A 14 104.197 -3.050 -20.821 1.00 0.00 H new ATOM 0 HG LEU A 14 104.635 -0.222 -19.914 1.00 0.00 H new ATOM 0 HD11 LEU A 14 103.542 0.182 -22.145 1.00 0.00 H new ATOM 0 HD12 LEU A 14 104.899 -0.960 -22.297 1.00 0.00 H new ATOM 0 HD13 LEU A 14 103.225 -1.563 -22.291 1.00 0.00 H new ATOM 0 HD21 LEU A 14 102.224 0.300 -20.065 1.00 0.00 H new ATOM 0 HD22 LEU A 14 101.859 -1.434 -20.229 1.00 0.00 H new ATOM 0 HD23 LEU A 14 102.565 -0.813 -18.718 1.00 0.00 H new ATOM 249 N LEU A 15 103.839 -5.300 -18.519 1.00 0.00 N ATOM 250 CA LEU A 15 104.458 -6.642 -18.319 1.00 0.00 C ATOM 251 C LEU A 15 105.110 -7.112 -19.622 1.00 0.00 C ATOM 252 O LEU A 15 104.974 -6.484 -20.656 1.00 0.00 O ATOM 253 CB LEU A 15 103.310 -7.574 -17.917 1.00 0.00 C ATOM 254 CG LEU A 15 102.722 -7.127 -16.576 1.00 0.00 C ATOM 255 CD1 LEU A 15 101.423 -7.890 -16.308 1.00 0.00 C ATOM 256 CD2 LEU A 15 103.723 -7.419 -15.455 1.00 0.00 C ATOM 0 H LEU A 15 102.851 -5.308 -18.773 1.00 0.00 H new ATOM 0 HA LEU A 15 105.237 -6.626 -17.557 1.00 0.00 H new ATOM 0 HB2 LEU A 15 102.536 -7.564 -18.685 1.00 0.00 H new ATOM 0 HB3 LEU A 15 103.672 -8.599 -17.842 1.00 0.00 H new ATOM 0 HG LEU A 15 102.516 -6.057 -16.610 1.00 0.00 H new ATOM 0 HD11 LEU A 15 101.004 -7.572 -15.353 1.00 0.00 H new ATOM 0 HD12 LEU A 15 100.708 -7.683 -17.105 1.00 0.00 H new ATOM 0 HD13 LEU A 15 101.630 -8.960 -16.275 1.00 0.00 H new ATOM 0 HD21 LEU A 15 103.304 -7.100 -14.501 1.00 0.00 H new ATOM 0 HD22 LEU A 15 103.930 -8.489 -15.422 1.00 0.00 H new ATOM 0 HD23 LEU A 15 104.649 -6.876 -15.644 1.00 0.00 H new ATOM 268 N ASN A 16 105.818 -8.216 -19.575 1.00 0.00 N ATOM 269 CA ASN A 16 106.574 -8.704 -20.784 1.00 0.00 C ATOM 270 C ASN A 16 105.640 -8.898 -21.991 1.00 0.00 C ATOM 271 O ASN A 16 106.081 -8.898 -23.126 1.00 0.00 O ATOM 272 CB ASN A 16 107.204 -10.044 -20.365 1.00 0.00 C ATOM 273 CG ASN A 16 106.117 -11.035 -19.928 1.00 0.00 C ATOM 274 OD1 ASN A 16 105.232 -11.362 -20.695 1.00 0.00 O ATOM 275 ND2 ASN A 16 106.148 -11.530 -18.720 1.00 0.00 N ATOM 0 H ASN A 16 105.908 -8.807 -18.748 1.00 0.00 H new ATOM 0 HA ASN A 16 107.326 -7.980 -21.096 1.00 0.00 H new ATOM 0 HB2 ASN A 16 107.772 -10.461 -21.196 1.00 0.00 H new ATOM 0 HB3 ASN A 16 107.907 -9.882 -19.548 1.00 0.00 H new ATOM 0 HD21 ASN A 16 105.430 -12.190 -18.421 1.00 0.00 H new ATOM 0 HD22 ASN A 16 106.890 -11.256 -18.076 1.00 0.00 H new ATOM 282 N ASN A 17 104.361 -9.059 -21.753 1.00 0.00 N ATOM 283 CA ASN A 17 103.406 -9.292 -22.881 1.00 0.00 C ATOM 284 C ASN A 17 102.745 -7.975 -23.326 1.00 0.00 C ATOM 285 O ASN A 17 101.659 -7.978 -23.874 1.00 0.00 O ATOM 286 CB ASN A 17 102.362 -10.284 -22.338 1.00 0.00 C ATOM 287 CG ASN A 17 101.620 -9.689 -21.135 1.00 0.00 C ATOM 288 OD1 ASN A 17 100.666 -8.955 -21.299 1.00 0.00 O ATOM 289 ND2 ASN A 17 102.021 -9.978 -19.927 1.00 0.00 N ATOM 0 H ASN A 17 103.937 -9.039 -20.826 1.00 0.00 H new ATOM 0 HA ASN A 17 103.912 -9.687 -23.762 1.00 0.00 H new ATOM 0 HB2 ASN A 17 101.649 -10.535 -23.123 1.00 0.00 H new ATOM 0 HB3 ASN A 17 102.853 -11.212 -22.045 1.00 0.00 H new ATOM 0 HD21 ASN A 17 101.533 -9.588 -19.121 1.00 0.00 H new ATOM 0 HD22 ASN A 17 102.822 -10.594 -19.789 1.00 0.00 H new ATOM 296 N ASP A 18 103.392 -6.844 -23.089 1.00 0.00 N ATOM 297 CA ASP A 18 102.905 -5.533 -23.647 1.00 0.00 C ATOM 298 C ASP A 18 101.483 -5.225 -23.160 1.00 0.00 C ATOM 299 O ASP A 18 100.737 -4.524 -23.819 1.00 0.00 O ATOM 300 CB ASP A 18 102.930 -5.682 -25.177 1.00 0.00 C ATOM 301 CG ASP A 18 104.372 -5.881 -25.653 1.00 0.00 C ATOM 302 OD1 ASP A 18 105.244 -5.197 -25.143 1.00 0.00 O ATOM 303 OD2 ASP A 18 104.577 -6.714 -26.520 1.00 0.00 O ATOM 0 H ASP A 18 104.242 -6.777 -22.529 1.00 0.00 H new ATOM 0 HA ASP A 18 103.536 -4.708 -23.317 1.00 0.00 H new ATOM 0 HB2 ASP A 18 102.317 -6.531 -25.479 1.00 0.00 H new ATOM 0 HB3 ASP A 18 102.501 -4.796 -25.645 1.00 0.00 H new ATOM 308 N SER A 19 101.103 -5.743 -22.013 1.00 0.00 N ATOM 309 CA SER A 19 99.831 -5.297 -21.372 1.00 0.00 C ATOM 310 C SER A 19 100.151 -4.319 -20.243 1.00 0.00 C ATOM 311 O SER A 19 101.129 -4.481 -19.535 1.00 0.00 O ATOM 312 CB SER A 19 99.186 -6.569 -20.820 1.00 0.00 C ATOM 313 OG SER A 19 99.971 -7.067 -19.744 1.00 0.00 O ATOM 0 H SER A 19 101.621 -6.454 -21.497 1.00 0.00 H new ATOM 0 HA SER A 19 99.166 -4.787 -22.069 1.00 0.00 H new ATOM 0 HB2 SER A 19 98.173 -6.358 -20.478 1.00 0.00 H new ATOM 0 HB3 SER A 19 99.107 -7.321 -21.606 1.00 0.00 H new ATOM 0 HG SER A 19 100.301 -7.962 -19.967 1.00 0.00 H new ATOM 319 N LYS A 20 99.338 -3.308 -20.067 1.00 0.00 N ATOM 320 CA LYS A 20 99.662 -2.251 -19.061 1.00 0.00 C ATOM 321 C LYS A 20 98.709 -2.324 -17.862 1.00 0.00 C ATOM 322 O LYS A 20 97.519 -2.531 -18.016 1.00 0.00 O ATOM 323 CB LYS A 20 99.508 -0.916 -19.811 1.00 0.00 C ATOM 324 CG LYS A 20 98.051 -0.693 -20.244 1.00 0.00 C ATOM 325 CD LYS A 20 97.942 0.642 -20.982 1.00 0.00 C ATOM 326 CE LYS A 20 96.477 1.077 -21.035 1.00 0.00 C ATOM 327 NZ LYS A 20 95.901 0.346 -22.198 1.00 0.00 N ATOM 0 H LYS A 20 98.465 -3.169 -20.576 1.00 0.00 H new ATOM 0 HA LYS A 20 100.667 -2.372 -18.656 1.00 0.00 H new ATOM 0 HB2 LYS A 20 99.830 -0.095 -19.170 1.00 0.00 H new ATOM 0 HB3 LYS A 20 100.157 -0.910 -20.687 1.00 0.00 H new ATOM 0 HG2 LYS A 20 97.723 -1.507 -20.891 1.00 0.00 H new ATOM 0 HG3 LYS A 20 97.396 -0.695 -19.373 1.00 0.00 H new ATOM 0 HD2 LYS A 20 98.539 1.400 -20.475 1.00 0.00 H new ATOM 0 HD3 LYS A 20 98.340 0.545 -21.992 1.00 0.00 H new ATOM 0 HE2 LYS A 20 95.956 0.823 -20.112 1.00 0.00 H new ATOM 0 HE3 LYS A 20 96.390 2.156 -21.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 94.896 0.593 -22.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 96.412 0.613 -23.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 95.992 -0.678 -22.044 1.00 0.00 H new ATOM 341 N ALA A 21 99.232 -2.155 -16.672 1.00 0.00 N ATOM 342 CA ALA A 21 98.361 -2.096 -15.458 1.00 0.00 C ATOM 343 C ALA A 21 98.904 -1.054 -14.476 1.00 0.00 C ATOM 344 O ALA A 21 100.099 -0.826 -14.408 1.00 0.00 O ATOM 345 CB ALA A 21 98.435 -3.498 -14.849 1.00 0.00 C ATOM 0 H ALA A 21 100.230 -2.055 -16.489 1.00 0.00 H new ATOM 0 HA ALA A 21 97.336 -1.810 -15.694 1.00 0.00 H new ATOM 0 HB1 ALA A 21 97.820 -3.537 -13.950 1.00 0.00 H new ATOM 0 HB2 ALA A 21 98.069 -4.228 -15.571 1.00 0.00 H new ATOM 0 HB3 ALA A 21 99.469 -3.729 -14.591 1.00 0.00 H new ATOM 351 N ARG A 22 98.040 -0.422 -13.717 1.00 0.00 N ATOM 352 CA ARG A 22 98.505 0.626 -12.755 1.00 0.00 C ATOM 353 C ARG A 22 97.789 0.474 -11.412 1.00 0.00 C ATOM 354 O ARG A 22 96.702 -0.068 -11.339 1.00 0.00 O ATOM 355 CB ARG A 22 98.161 1.974 -13.413 1.00 0.00 C ATOM 356 CG ARG A 22 96.650 2.084 -13.660 1.00 0.00 C ATOM 357 CD ARG A 22 96.359 3.333 -14.498 1.00 0.00 C ATOM 358 NE ARG A 22 94.864 3.426 -14.567 1.00 0.00 N ATOM 359 CZ ARG A 22 94.264 4.186 -15.464 1.00 0.00 C ATOM 360 NH1 ARG A 22 94.946 4.900 -16.332 1.00 0.00 N ATOM 361 NH2 ARG A 22 92.960 4.232 -15.488 1.00 0.00 N ATOM 0 H ARG A 22 97.033 -0.587 -13.723 1.00 0.00 H new ATOM 0 HA ARG A 22 99.573 0.545 -12.550 1.00 0.00 H new ATOM 0 HB2 ARG A 22 98.491 2.792 -12.773 1.00 0.00 H new ATOM 0 HB3 ARG A 22 98.697 2.072 -14.357 1.00 0.00 H new ATOM 0 HG2 ARG A 22 96.289 1.194 -14.176 1.00 0.00 H new ATOM 0 HG3 ARG A 22 96.118 2.138 -12.710 1.00 0.00 H new ATOM 0 HD2 ARG A 22 96.787 4.223 -14.038 1.00 0.00 H new ATOM 0 HD3 ARG A 22 96.794 3.248 -15.494 1.00 0.00 H new ATOM 0 HE ARG A 22 94.299 2.891 -13.907 1.00 0.00 H new ATOM 0 HH11 ARG A 22 95.966 4.875 -16.323 1.00 0.00 H new ATOM 0 HH12 ARG A 22 94.455 5.478 -17.014 1.00 0.00 H new ATOM 0 HH21 ARG A 22 92.418 3.685 -14.819 1.00 0.00 H new ATOM 0 HH22 ARG A 22 92.483 4.815 -16.176 1.00 0.00 H new ATOM 375 N GLY A 23 98.400 0.945 -10.353 1.00 0.00 N ATOM 376 CA GLY A 23 97.736 0.900 -9.018 1.00 0.00 C ATOM 377 C GLY A 23 98.675 1.480 -7.962 1.00 0.00 C ATOM 378 O GLY A 23 99.779 1.894 -8.265 1.00 0.00 O ATOM 0 H GLY A 23 99.332 1.359 -10.358 1.00 0.00 H new ATOM 0 HA2 GLY A 23 96.806 1.467 -9.044 1.00 0.00 H new ATOM 0 HA3 GLY A 23 97.476 -0.128 -8.764 1.00 0.00 H new ATOM 382 N VAL A 24 98.245 1.512 -6.724 1.00 0.00 N ATOM 383 CA VAL A 24 99.131 2.010 -5.627 1.00 0.00 C ATOM 384 C VAL A 24 99.880 0.829 -5.004 1.00 0.00 C ATOM 385 O VAL A 24 99.293 -0.190 -4.693 1.00 0.00 O ATOM 386 CB VAL A 24 98.191 2.665 -4.598 1.00 0.00 C ATOM 387 CG1 VAL A 24 99.014 3.287 -3.464 1.00 0.00 C ATOM 388 CG2 VAL A 24 97.366 3.767 -5.272 1.00 0.00 C ATOM 0 H VAL A 24 97.316 1.214 -6.426 1.00 0.00 H new ATOM 0 HA VAL A 24 99.877 2.720 -5.984 1.00 0.00 H new ATOM 0 HB VAL A 24 97.526 1.901 -4.196 1.00 0.00 H new ATOM 0 HG11 VAL A 24 98.344 3.749 -2.739 1.00 0.00 H new ATOM 0 HG12 VAL A 24 99.601 2.511 -2.973 1.00 0.00 H new ATOM 0 HG13 VAL A 24 99.683 4.044 -3.873 1.00 0.00 H new ATOM 0 HG21 VAL A 24 96.703 4.226 -4.538 1.00 0.00 H new ATOM 0 HG22 VAL A 24 98.035 4.524 -5.680 1.00 0.00 H new ATOM 0 HG23 VAL A 24 96.772 3.336 -6.078 1.00 0.00 H new ATOM 398 N ILE A 25 101.170 0.963 -4.821 1.00 0.00 N ATOM 399 CA ILE A 25 101.981 -0.174 -4.274 1.00 0.00 C ATOM 400 C ILE A 25 101.550 -0.489 -2.832 1.00 0.00 C ATOM 401 O ILE A 25 101.356 0.400 -2.023 1.00 0.00 O ATOM 402 CB ILE A 25 103.442 0.307 -4.336 1.00 0.00 C ATOM 403 CG1 ILE A 25 103.892 0.355 -5.799 1.00 0.00 C ATOM 404 CG2 ILE A 25 104.360 -0.646 -3.556 1.00 0.00 C ATOM 405 CD1 ILE A 25 105.129 1.246 -5.928 1.00 0.00 C ATOM 0 H ILE A 25 101.699 1.811 -5.026 1.00 0.00 H new ATOM 0 HA ILE A 25 101.845 -1.095 -4.841 1.00 0.00 H new ATOM 0 HB ILE A 25 103.505 1.299 -3.888 1.00 0.00 H new ATOM 0 HG12 ILE A 25 104.118 -0.651 -6.154 1.00 0.00 H new ATOM 0 HG13 ILE A 25 103.087 0.741 -6.425 1.00 0.00 H new ATOM 0 HG21 ILE A 25 105.388 -0.288 -3.612 1.00 0.00 H new ATOM 0 HG22 ILE A 25 104.045 -0.682 -2.513 1.00 0.00 H new ATOM 0 HG23 ILE A 25 104.299 -1.645 -3.988 1.00 0.00 H new ATOM 0 HD11 ILE A 25 105.447 1.278 -6.970 1.00 0.00 H new ATOM 0 HD12 ILE A 25 104.888 2.254 -5.591 1.00 0.00 H new ATOM 0 HD13 ILE A 25 105.934 0.841 -5.315 1.00 0.00 H new ATOM 417 N THR A 26 101.404 -1.755 -2.521 1.00 0.00 N ATOM 418 CA THR A 26 100.951 -2.157 -1.155 1.00 0.00 C ATOM 419 C THR A 26 101.933 -3.140 -0.500 1.00 0.00 C ATOM 420 O THR A 26 101.871 -3.354 0.695 1.00 0.00 O ATOM 421 CB THR A 26 99.590 -2.824 -1.369 1.00 0.00 C ATOM 422 OG1 THR A 26 99.710 -3.836 -2.358 1.00 0.00 O ATOM 423 CG2 THR A 26 98.571 -1.778 -1.827 1.00 0.00 C ATOM 0 H THR A 26 101.581 -2.530 -3.160 1.00 0.00 H new ATOM 0 HA THR A 26 100.894 -1.298 -0.487 1.00 0.00 H new ATOM 0 HB THR A 26 99.253 -3.269 -0.433 1.00 0.00 H new ATOM 0 HG1 THR A 26 100.035 -3.440 -3.194 1.00 0.00 H new ATOM 0 HG21 THR A 26 97.603 -2.255 -1.979 1.00 0.00 H new ATOM 0 HG22 THR A 26 98.478 -1.003 -1.066 1.00 0.00 H new ATOM 0 HG23 THR A 26 98.905 -1.330 -2.763 1.00 0.00 H new ATOM 431 N ASN A 27 102.832 -3.747 -1.253 1.00 0.00 N ATOM 432 CA ASN A 27 103.877 -4.605 -0.609 1.00 0.00 C ATOM 433 C ASN A 27 105.101 -4.754 -1.518 1.00 0.00 C ATOM 434 O ASN A 27 105.001 -4.677 -2.727 1.00 0.00 O ATOM 435 CB ASN A 27 103.198 -5.960 -0.399 1.00 0.00 C ATOM 436 CG ASN A 27 104.082 -6.845 0.482 1.00 0.00 C ATOM 437 OD1 ASN A 27 104.719 -7.759 -0.001 1.00 0.00 O ATOM 438 ND2 ASN A 27 104.148 -6.609 1.764 1.00 0.00 N ATOM 0 H ASN A 27 102.883 -3.684 -2.270 1.00 0.00 H new ATOM 0 HA ASN A 27 104.238 -4.173 0.325 1.00 0.00 H new ATOM 0 HB2 ASN A 27 102.223 -5.821 0.069 1.00 0.00 H new ATOM 0 HB3 ASN A 27 103.024 -6.444 -1.360 1.00 0.00 H new ATOM 0 HD21 ASN A 27 104.735 -7.192 2.360 1.00 0.00 H new ATOM 0 HD22 ASN A 27 103.613 -5.841 2.169 1.00 0.00 H new ATOM 445 N PHE A 28 106.252 -4.966 -0.929 1.00 0.00 N ATOM 446 CA PHE A 28 107.487 -5.228 -1.728 1.00 0.00 C ATOM 447 C PHE A 28 108.426 -6.146 -0.943 1.00 0.00 C ATOM 448 O PHE A 28 108.649 -5.955 0.239 1.00 0.00 O ATOM 449 CB PHE A 28 108.126 -3.856 -1.939 1.00 0.00 C ATOM 450 CG PHE A 28 109.305 -3.883 -2.884 1.00 0.00 C ATOM 451 CD1 PHE A 28 109.104 -4.167 -4.256 1.00 0.00 C ATOM 452 CD2 PHE A 28 110.609 -3.625 -2.396 1.00 0.00 C ATOM 453 CE1 PHE A 28 110.208 -4.192 -5.143 1.00 0.00 C ATOM 454 CE2 PHE A 28 111.713 -3.650 -3.282 1.00 0.00 C ATOM 455 CZ PHE A 28 111.514 -3.933 -4.655 1.00 0.00 C ATOM 0 H PHE A 28 106.389 -4.969 0.082 1.00 0.00 H new ATOM 0 HA PHE A 28 107.273 -5.721 -2.676 1.00 0.00 H new ATOM 0 HB2 PHE A 28 107.374 -3.169 -2.327 1.00 0.00 H new ATOM 0 HB3 PHE A 28 108.451 -3.462 -0.976 1.00 0.00 H new ATOM 0 HD1 PHE A 28 108.109 -4.365 -4.626 1.00 0.00 H new ATOM 0 HD2 PHE A 28 110.761 -3.409 -1.349 1.00 0.00 H new ATOM 0 HE1 PHE A 28 110.055 -4.408 -6.190 1.00 0.00 H new ATOM 0 HE2 PHE A 28 112.708 -3.453 -2.910 1.00 0.00 H new ATOM 0 HZ PHE A 28 112.357 -3.952 -5.330 1.00 0.00 H new ATOM 465 N ASP A 29 108.974 -7.140 -1.595 1.00 0.00 N ATOM 466 CA ASP A 29 109.853 -8.122 -0.891 1.00 0.00 C ATOM 467 C ASP A 29 111.233 -8.140 -1.550 1.00 0.00 C ATOM 468 O ASP A 29 111.349 -8.347 -2.740 1.00 0.00 O ATOM 469 CB ASP A 29 109.152 -9.470 -1.064 1.00 0.00 C ATOM 470 CG ASP A 29 109.858 -10.530 -0.217 1.00 0.00 C ATOM 471 OD1 ASP A 29 109.745 -10.465 0.995 1.00 0.00 O ATOM 472 OD2 ASP A 29 110.499 -11.391 -0.797 1.00 0.00 O ATOM 0 H ASP A 29 108.849 -7.314 -2.592 1.00 0.00 H new ATOM 0 HA ASP A 29 110.003 -7.877 0.161 1.00 0.00 H new ATOM 0 HB2 ASP A 29 108.107 -9.388 -0.765 1.00 0.00 H new ATOM 0 HB3 ASP A 29 109.161 -9.764 -2.114 1.00 0.00 H new ATOM 477 N SER A 30 112.274 -7.928 -0.782 1.00 0.00 N ATOM 478 CA SER A 30 113.646 -7.836 -1.376 1.00 0.00 C ATOM 479 C SER A 30 114.201 -9.232 -1.682 1.00 0.00 C ATOM 480 O SER A 30 114.940 -9.414 -2.632 1.00 0.00 O ATOM 481 CB SER A 30 114.501 -7.144 -0.313 1.00 0.00 C ATOM 482 OG SER A 30 114.641 -8.003 0.809 1.00 0.00 O ATOM 0 H SER A 30 112.234 -7.815 0.231 1.00 0.00 H new ATOM 0 HA SER A 30 113.641 -7.287 -2.318 1.00 0.00 H new ATOM 0 HB2 SER A 30 115.481 -6.898 -0.722 1.00 0.00 H new ATOM 0 HB3 SER A 30 114.037 -6.205 -0.011 1.00 0.00 H new ATOM 0 HG SER A 30 115.190 -7.563 1.491 1.00 0.00 H new ATOM 488 N SER A 31 113.850 -10.212 -0.885 1.00 0.00 N ATOM 489 CA SER A 31 114.426 -11.584 -1.077 1.00 0.00 C ATOM 490 C SER A 31 113.905 -12.211 -2.375 1.00 0.00 C ATOM 491 O SER A 31 114.613 -12.940 -3.045 1.00 0.00 O ATOM 492 CB SER A 31 113.964 -12.396 0.135 1.00 0.00 C ATOM 493 OG SER A 31 112.560 -12.607 0.055 1.00 0.00 O ATOM 0 H SER A 31 113.191 -10.124 -0.111 1.00 0.00 H new ATOM 0 HA SER A 31 115.513 -11.557 -1.155 1.00 0.00 H new ATOM 0 HB2 SER A 31 114.485 -13.353 0.166 1.00 0.00 H new ATOM 0 HB3 SER A 31 114.212 -11.868 1.056 1.00 0.00 H new ATOM 0 HG SER A 31 112.111 -11.755 -0.127 1.00 0.00 H new ATOM 499 N ASN A 32 112.675 -11.930 -2.731 1.00 0.00 N ATOM 500 CA ASN A 32 112.087 -12.532 -3.973 1.00 0.00 C ATOM 501 C ASN A 32 111.573 -11.447 -4.936 1.00 0.00 C ATOM 502 O ASN A 32 111.077 -11.753 -6.005 1.00 0.00 O ATOM 503 CB ASN A 32 110.929 -13.397 -3.475 1.00 0.00 C ATOM 504 CG ASN A 32 110.620 -14.487 -4.507 1.00 0.00 C ATOM 505 OD1 ASN A 32 110.251 -15.669 -4.097 1.00 0.00 O flip ATOM 506 ND2 ASN A 32 110.715 -14.259 -5.697 1.00 0.00 N flip ATOM 0 H ASN A 32 112.051 -11.309 -2.216 1.00 0.00 H new ATOM 0 HA ASN A 32 112.828 -13.104 -4.532 1.00 0.00 H new ATOM 0 HB2 ASN A 32 111.186 -13.851 -2.518 1.00 0.00 H new ATOM 0 HB3 ASN A 32 110.046 -12.780 -3.308 1.00 0.00 H new ATOM 0 HD21 ASN A 32 111.004 -13.335 -6.018 1.00 0.00 H new ATOM 0 HD22 ASN A 32 110.506 -14.992 -6.375 1.00 0.00 H new ATOM 513 N SER A 33 111.684 -10.181 -4.574 1.00 0.00 N ATOM 514 CA SER A 33 111.202 -9.067 -5.467 1.00 0.00 C ATOM 515 C SER A 33 109.739 -9.292 -5.884 1.00 0.00 C ATOM 516 O SER A 33 109.438 -9.531 -7.041 1.00 0.00 O ATOM 517 CB SER A 33 112.134 -9.086 -6.686 1.00 0.00 C ATOM 518 OG SER A 33 113.480 -9.220 -6.250 1.00 0.00 O ATOM 0 H SER A 33 112.091 -9.872 -3.691 1.00 0.00 H new ATOM 0 HA SER A 33 111.228 -8.103 -4.959 1.00 0.00 H new ATOM 0 HB2 SER A 33 111.870 -9.912 -7.346 1.00 0.00 H new ATOM 0 HB3 SER A 33 112.016 -8.168 -7.262 1.00 0.00 H new ATOM 0 HG SER A 33 114.076 -9.234 -7.028 1.00 0.00 H new ATOM 524 N ILE A 34 108.832 -9.216 -4.940 1.00 0.00 N ATOM 525 CA ILE A 34 107.379 -9.403 -5.262 1.00 0.00 C ATOM 526 C ILE A 34 106.604 -8.135 -4.889 1.00 0.00 C ATOM 527 O ILE A 34 106.787 -7.580 -3.822 1.00 0.00 O ATOM 528 CB ILE A 34 106.915 -10.598 -4.410 1.00 0.00 C ATOM 529 CG1 ILE A 34 107.808 -11.833 -4.674 1.00 0.00 C ATOM 530 CG2 ILE A 34 105.457 -10.938 -4.744 1.00 0.00 C ATOM 531 CD1 ILE A 34 107.731 -12.277 -6.146 1.00 0.00 C ATOM 0 H ILE A 34 109.034 -9.032 -3.957 1.00 0.00 H new ATOM 0 HA ILE A 34 107.210 -9.587 -6.323 1.00 0.00 H new ATOM 0 HB ILE A 34 106.995 -10.326 -3.358 1.00 0.00 H new ATOM 0 HG12 ILE A 34 108.841 -11.599 -4.417 1.00 0.00 H new ATOM 0 HG13 ILE A 34 107.497 -12.654 -4.028 1.00 0.00 H new ATOM 0 HG21 ILE A 34 105.133 -11.784 -4.139 1.00 0.00 H new ATOM 0 HG22 ILE A 34 104.824 -10.076 -4.531 1.00 0.00 H new ATOM 0 HG23 ILE A 34 105.376 -11.195 -5.800 1.00 0.00 H new ATOM 0 HD11 ILE A 34 108.370 -13.147 -6.298 1.00 0.00 H new ATOM 0 HD12 ILE A 34 106.702 -12.535 -6.395 1.00 0.00 H new ATOM 0 HD13 ILE A 34 108.067 -11.464 -6.789 1.00 0.00 H new ATOM 543 N LEU A 35 105.738 -7.676 -5.761 1.00 0.00 N ATOM 544 CA LEU A 35 105.049 -6.368 -5.536 1.00 0.00 C ATOM 545 C LEU A 35 103.532 -6.541 -5.636 1.00 0.00 C ATOM 546 O LEU A 35 103.018 -7.026 -6.626 1.00 0.00 O ATOM 547 CB LEU A 35 105.563 -5.466 -6.660 1.00 0.00 C ATOM 548 CG LEU A 35 105.043 -4.039 -6.464 1.00 0.00 C ATOM 549 CD1 LEU A 35 105.956 -3.287 -5.493 1.00 0.00 C ATOM 550 CD2 LEU A 35 105.027 -3.318 -7.814 1.00 0.00 C ATOM 0 H LEU A 35 105.478 -8.155 -6.623 1.00 0.00 H new ATOM 0 HA LEU A 35 105.251 -5.954 -4.548 1.00 0.00 H new ATOM 0 HB2 LEU A 35 106.653 -5.467 -6.669 1.00 0.00 H new ATOM 0 HB3 LEU A 35 105.236 -5.852 -7.626 1.00 0.00 H new ATOM 0 HG LEU A 35 104.033 -4.072 -6.054 1.00 0.00 H new ATOM 0 HD11 LEU A 35 105.584 -2.272 -5.355 1.00 0.00 H new ATOM 0 HD12 LEU A 35 105.969 -3.802 -4.532 1.00 0.00 H new ATOM 0 HD13 LEU A 35 106.967 -3.251 -5.898 1.00 0.00 H new ATOM 0 HD21 LEU A 35 104.657 -2.301 -7.679 1.00 0.00 H new ATOM 0 HD22 LEU A 35 106.038 -3.286 -8.221 1.00 0.00 H new ATOM 0 HD23 LEU A 35 104.375 -3.853 -8.504 1.00 0.00 H new ATOM 562 N GLN A 36 102.819 -6.143 -4.612 1.00 0.00 N ATOM 563 CA GLN A 36 101.331 -6.115 -4.693 1.00 0.00 C ATOM 564 C GLN A 36 100.864 -4.703 -5.040 1.00 0.00 C ATOM 565 O GLN A 36 101.235 -3.748 -4.386 1.00 0.00 O ATOM 566 CB GLN A 36 100.847 -6.512 -3.298 1.00 0.00 C ATOM 567 CG GLN A 36 101.101 -8.005 -3.077 1.00 0.00 C ATOM 568 CD GLN A 36 100.693 -8.390 -1.652 1.00 0.00 C ATOM 569 OE1 GLN A 36 100.861 -7.619 -0.728 1.00 0.00 O ATOM 570 NE2 GLN A 36 100.160 -9.561 -1.435 1.00 0.00 N ATOM 0 H GLN A 36 103.208 -5.835 -3.721 1.00 0.00 H new ATOM 0 HA GLN A 36 100.941 -6.785 -5.460 1.00 0.00 H new ATOM 0 HB2 GLN A 36 101.368 -5.927 -2.540 1.00 0.00 H new ATOM 0 HB3 GLN A 36 99.784 -6.293 -3.194 1.00 0.00 H new ATOM 0 HG2 GLN A 36 100.534 -8.592 -3.800 1.00 0.00 H new ATOM 0 HG3 GLN A 36 102.155 -8.233 -3.239 1.00 0.00 H new ATOM 0 HE21 GLN A 36 100.019 -10.209 -2.210 1.00 0.00 H new ATOM 0 HE22 GLN A 36 99.885 -9.829 -0.490 1.00 0.00 H new ATOM 579 N LEU A 37 100.058 -4.565 -6.064 1.00 0.00 N ATOM 580 CA LEU A 37 99.545 -3.215 -6.447 1.00 0.00 C ATOM 581 C LEU A 37 98.045 -3.119 -6.162 1.00 0.00 C ATOM 582 O LEU A 37 97.267 -3.937 -6.619 1.00 0.00 O ATOM 583 CB LEU A 37 99.811 -3.095 -7.950 1.00 0.00 C ATOM 584 CG LEU A 37 101.319 -3.052 -8.208 1.00 0.00 C ATOM 585 CD1 LEU A 37 101.590 -3.340 -9.686 1.00 0.00 C ATOM 586 CD2 LEU A 37 101.859 -1.663 -7.855 1.00 0.00 C ATOM 0 H LEU A 37 99.733 -5.332 -6.652 1.00 0.00 H new ATOM 0 HA LEU A 37 100.030 -2.418 -5.883 1.00 0.00 H new ATOM 0 HB2 LEU A 37 99.367 -3.940 -8.476 1.00 0.00 H new ATOM 0 HB3 LEU A 37 99.340 -2.193 -8.341 1.00 0.00 H new ATOM 0 HG LEU A 37 101.814 -3.803 -7.592 1.00 0.00 H new ATOM 0 HD11 LEU A 37 102.664 -3.310 -9.872 1.00 0.00 H new ATOM 0 HD12 LEU A 37 101.205 -4.328 -9.941 1.00 0.00 H new ATOM 0 HD13 LEU A 37 101.094 -2.588 -10.300 1.00 0.00 H new ATOM 0 HD21 LEU A 37 102.933 -1.633 -8.039 1.00 0.00 H new ATOM 0 HD22 LEU A 37 101.364 -0.913 -8.472 1.00 0.00 H new ATOM 0 HD23 LEU A 37 101.665 -1.454 -6.803 1.00 0.00 H new ATOM 598 N ARG A 38 97.639 -2.127 -5.409 1.00 0.00 N ATOM 599 CA ARG A 38 96.181 -1.936 -5.132 1.00 0.00 C ATOM 600 C ARG A 38 95.678 -0.665 -5.825 1.00 0.00 C ATOM 601 O ARG A 38 96.148 0.424 -5.558 1.00 0.00 O ATOM 602 CB ARG A 38 96.078 -1.802 -3.611 1.00 0.00 C ATOM 603 CG ARG A 38 94.606 -1.766 -3.194 1.00 0.00 C ATOM 604 CD ARG A 38 94.508 -1.606 -1.673 1.00 0.00 C ATOM 605 NE ARG A 38 93.047 -1.702 -1.356 1.00 0.00 N ATOM 606 CZ ARG A 38 92.566 -1.293 -0.197 1.00 0.00 C ATOM 607 NH1 ARG A 38 93.346 -0.790 0.734 1.00 0.00 N ATOM 608 NH2 ARG A 38 91.285 -1.393 0.031 1.00 0.00 N ATOM 0 H ARG A 38 98.255 -1.440 -4.973 1.00 0.00 H new ATOM 0 HA ARG A 38 95.575 -2.762 -5.505 1.00 0.00 H new ATOM 0 HB2 ARG A 38 96.582 -2.639 -3.128 1.00 0.00 H new ATOM 0 HB3 ARG A 38 96.581 -0.893 -3.282 1.00 0.00 H new ATOM 0 HG2 ARG A 38 94.097 -0.940 -3.691 1.00 0.00 H new ATOM 0 HG3 ARG A 38 94.106 -2.683 -3.507 1.00 0.00 H new ATOM 0 HD2 ARG A 38 95.073 -2.383 -1.159 1.00 0.00 H new ATOM 0 HD3 ARG A 38 94.918 -0.648 -1.352 1.00 0.00 H new ATOM 0 HE ARG A 38 92.410 -2.092 -2.051 1.00 0.00 H new ATOM 0 HH11 ARG A 38 94.349 -0.708 0.569 1.00 0.00 H new ATOM 0 HH12 ARG A 38 92.948 -0.481 1.621 1.00 0.00 H new ATOM 0 HH21 ARG A 38 90.669 -1.783 -0.682 1.00 0.00 H new ATOM 0 HH22 ARG A 38 90.900 -1.081 0.922 1.00 0.00 H new ATOM 622 N LEU A 39 94.721 -0.803 -6.710 1.00 0.00 N ATOM 623 CA LEU A 39 94.264 0.362 -7.526 1.00 0.00 C ATOM 624 C LEU A 39 92.945 0.924 -6.971 1.00 0.00 C ATOM 625 O LEU A 39 92.201 0.238 -6.291 1.00 0.00 O ATOM 626 CB LEU A 39 94.084 -0.210 -8.940 1.00 0.00 C ATOM 627 CG LEU A 39 93.562 0.861 -9.912 1.00 0.00 C ATOM 628 CD1 LEU A 39 94.580 1.997 -10.062 1.00 0.00 C ATOM 629 CD2 LEU A 39 93.339 0.216 -11.278 1.00 0.00 C ATOM 0 H LEU A 39 94.235 -1.679 -6.902 1.00 0.00 H new ATOM 0 HA LEU A 39 94.970 1.192 -7.512 1.00 0.00 H new ATOM 0 HB2 LEU A 39 95.036 -0.599 -9.301 1.00 0.00 H new ATOM 0 HB3 LEU A 39 93.387 -1.048 -8.910 1.00 0.00 H new ATOM 0 HG LEU A 39 92.631 1.271 -9.521 1.00 0.00 H new ATOM 0 HD11 LEU A 39 94.192 2.744 -10.754 1.00 0.00 H new ATOM 0 HD12 LEU A 39 94.756 2.459 -9.090 1.00 0.00 H new ATOM 0 HD13 LEU A 39 95.517 1.597 -10.449 1.00 0.00 H new ATOM 0 HD21 LEU A 39 92.968 0.965 -11.978 1.00 0.00 H new ATOM 0 HD22 LEU A 39 94.281 -0.190 -11.647 1.00 0.00 H new ATOM 0 HD23 LEU A 39 92.608 -0.588 -11.186 1.00 0.00 H new ATOM 641 N ALA A 40 92.659 2.171 -7.272 1.00 0.00 N ATOM 642 CA ALA A 40 91.502 2.878 -6.624 1.00 0.00 C ATOM 643 C ALA A 40 90.147 2.302 -7.070 1.00 0.00 C ATOM 644 O ALA A 40 89.110 2.740 -6.606 1.00 0.00 O ATOM 645 CB ALA A 40 91.625 4.338 -7.067 1.00 0.00 C ATOM 0 H ALA A 40 93.181 2.734 -7.944 1.00 0.00 H new ATOM 0 HA ALA A 40 91.535 2.761 -5.541 1.00 0.00 H new ATOM 0 HB1 ALA A 40 90.812 4.920 -6.632 1.00 0.00 H new ATOM 0 HB2 ALA A 40 92.580 4.741 -6.730 1.00 0.00 H new ATOM 0 HB3 ALA A 40 91.571 4.394 -8.154 1.00 0.00 H new ATOM 651 N ASN A 41 90.135 1.333 -7.959 1.00 0.00 N ATOM 652 CA ASN A 41 88.851 0.646 -8.313 1.00 0.00 C ATOM 653 C ASN A 41 88.565 -0.524 -7.348 1.00 0.00 C ATOM 654 O ASN A 41 87.896 -1.472 -7.710 1.00 0.00 O ATOM 655 CB ASN A 41 89.047 0.135 -9.753 1.00 0.00 C ATOM 656 CG ASN A 41 90.181 -0.900 -9.818 1.00 0.00 C ATOM 657 OD1 ASN A 41 91.078 -0.896 -8.997 1.00 0.00 O ATOM 658 ND2 ASN A 41 90.177 -1.794 -10.770 1.00 0.00 N ATOM 0 H ASN A 41 90.959 0.990 -8.453 1.00 0.00 H new ATOM 0 HA ASN A 41 87.998 1.320 -8.235 1.00 0.00 H new ATOM 0 HB2 ASN A 41 88.121 -0.312 -10.114 1.00 0.00 H new ATOM 0 HB3 ASN A 41 89.275 0.972 -10.412 1.00 0.00 H new ATOM 0 HD21 ASN A 41 90.925 -2.486 -10.823 1.00 0.00 H new ATOM 0 HD22 ASN A 41 89.426 -1.800 -11.460 1.00 0.00 H new ATOM 665 N ASP A 42 89.067 -0.467 -6.121 1.00 0.00 N ATOM 666 CA ASP A 42 88.800 -1.555 -5.119 1.00 0.00 C ATOM 667 C ASP A 42 89.359 -2.894 -5.619 1.00 0.00 C ATOM 668 O ASP A 42 88.853 -3.946 -5.273 1.00 0.00 O ATOM 669 CB ASP A 42 87.273 -1.633 -4.973 1.00 0.00 C ATOM 670 CG ASP A 42 86.921 -2.337 -3.662 1.00 0.00 C ATOM 671 OD1 ASP A 42 86.788 -3.550 -3.680 1.00 0.00 O ATOM 672 OD2 ASP A 42 86.790 -1.651 -2.661 1.00 0.00 O ATOM 0 H ASP A 42 89.652 0.294 -5.776 1.00 0.00 H new ATOM 0 HA ASP A 42 89.281 -1.343 -4.164 1.00 0.00 H new ATOM 0 HB2 ASP A 42 86.844 -0.631 -4.987 1.00 0.00 H new ATOM 0 HB3 ASP A 42 86.844 -2.175 -5.816 1.00 0.00 H new ATOM 677 N SER A 43 90.399 -2.866 -6.430 1.00 0.00 N ATOM 678 CA SER A 43 90.999 -4.143 -6.927 1.00 0.00 C ATOM 679 C SER A 43 92.486 -4.205 -6.567 1.00 0.00 C ATOM 680 O SER A 43 93.201 -3.225 -6.678 1.00 0.00 O ATOM 681 CB SER A 43 90.810 -4.107 -8.444 1.00 0.00 C ATOM 682 OG SER A 43 89.423 -4.182 -8.746 1.00 0.00 O ATOM 0 H SER A 43 90.852 -2.016 -6.765 1.00 0.00 H new ATOM 0 HA SER A 43 90.531 -5.021 -6.481 1.00 0.00 H new ATOM 0 HB2 SER A 43 91.234 -3.190 -8.853 1.00 0.00 H new ATOM 0 HB3 SER A 43 91.341 -4.938 -8.908 1.00 0.00 H new ATOM 0 HG SER A 43 88.984 -3.349 -8.475 1.00 0.00 H new ATOM 688 N THR A 44 92.951 -5.352 -6.136 1.00 0.00 N ATOM 689 CA THR A 44 94.395 -5.502 -5.772 1.00 0.00 C ATOM 690 C THR A 44 94.974 -6.768 -6.414 1.00 0.00 C ATOM 691 O THR A 44 94.283 -7.757 -6.582 1.00 0.00 O ATOM 692 CB THR A 44 94.420 -5.598 -4.237 1.00 0.00 C ATOM 693 OG1 THR A 44 95.765 -5.734 -3.798 1.00 0.00 O ATOM 694 CG2 THR A 44 93.603 -6.805 -3.757 1.00 0.00 C ATOM 0 H THR A 44 92.389 -6.196 -6.020 1.00 0.00 H new ATOM 0 HA THR A 44 94.999 -4.668 -6.128 1.00 0.00 H new ATOM 0 HB THR A 44 93.980 -4.692 -3.821 1.00 0.00 H new ATOM 0 HG1 THR A 44 95.785 -5.794 -2.820 1.00 0.00 H new ATOM 0 HG21 THR A 44 93.633 -6.855 -2.669 1.00 0.00 H new ATOM 0 HG22 THR A 44 92.569 -6.699 -4.087 1.00 0.00 H new ATOM 0 HG23 THR A 44 94.025 -7.719 -4.174 1.00 0.00 H new ATOM 702 N LYS A 45 96.234 -6.741 -6.773 1.00 0.00 N ATOM 703 CA LYS A 45 96.856 -7.927 -7.437 1.00 0.00 C ATOM 704 C LYS A 45 98.310 -8.097 -6.993 1.00 0.00 C ATOM 705 O LYS A 45 99.030 -7.131 -6.815 1.00 0.00 O ATOM 706 CB LYS A 45 96.783 -7.628 -8.934 1.00 0.00 C ATOM 707 CG LYS A 45 95.348 -7.828 -9.420 1.00 0.00 C ATOM 708 CD LYS A 45 95.294 -7.662 -10.940 1.00 0.00 C ATOM 709 CE LYS A 45 93.846 -7.791 -11.418 1.00 0.00 C ATOM 710 NZ LYS A 45 93.832 -7.179 -12.775 1.00 0.00 N ATOM 0 H LYS A 45 96.859 -5.947 -6.634 1.00 0.00 H new ATOM 0 HA LYS A 45 96.343 -8.853 -7.178 1.00 0.00 H new ATOM 0 HB2 LYS A 45 97.106 -6.605 -9.128 1.00 0.00 H new ATOM 0 HB3 LYS A 45 97.459 -8.285 -9.481 1.00 0.00 H new ATOM 0 HG2 LYS A 45 94.993 -8.820 -9.139 1.00 0.00 H new ATOM 0 HG3 LYS A 45 94.687 -7.106 -8.941 1.00 0.00 H new ATOM 0 HD2 LYS A 45 95.697 -6.690 -11.225 1.00 0.00 H new ATOM 0 HD3 LYS A 45 95.915 -8.417 -11.421 1.00 0.00 H new ATOM 0 HE2 LYS A 45 93.533 -8.835 -11.453 1.00 0.00 H new ATOM 0 HE3 LYS A 45 93.161 -7.275 -10.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 92.871 -7.230 -13.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 94.127 -6.184 -12.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 94.488 -7.695 -13.395 1.00 0.00 H new ATOM 724 N SER A 46 98.741 -9.322 -6.814 1.00 0.00 N ATOM 725 CA SER A 46 100.166 -9.579 -6.446 1.00 0.00 C ATOM 726 C SER A 46 100.956 -10.008 -7.684 1.00 0.00 C ATOM 727 O SER A 46 100.687 -11.042 -8.269 1.00 0.00 O ATOM 728 CB SER A 46 100.112 -10.712 -5.422 1.00 0.00 C ATOM 729 OG SER A 46 99.664 -11.901 -6.060 1.00 0.00 O ATOM 0 H SER A 46 98.164 -10.158 -6.908 1.00 0.00 H new ATOM 0 HA SER A 46 100.659 -8.693 -6.044 1.00 0.00 H new ATOM 0 HB2 SER A 46 101.098 -10.870 -4.985 1.00 0.00 H new ATOM 0 HB3 SER A 46 99.440 -10.448 -4.606 1.00 0.00 H new ATOM 0 HG SER A 46 99.625 -11.758 -7.029 1.00 0.00 H new ATOM 735 N ILE A 47 101.926 -9.223 -8.085 1.00 0.00 N ATOM 736 CA ILE A 47 102.711 -9.555 -9.314 1.00 0.00 C ATOM 737 C ILE A 47 104.208 -9.487 -8.999 1.00 0.00 C ATOM 738 O ILE A 47 104.679 -8.538 -8.398 1.00 0.00 O ATOM 739 CB ILE A 47 102.319 -8.489 -10.352 1.00 0.00 C ATOM 740 CG1 ILE A 47 100.809 -8.554 -10.621 1.00 0.00 C ATOM 741 CG2 ILE A 47 103.069 -8.742 -11.666 1.00 0.00 C ATOM 742 CD1 ILE A 47 100.376 -7.326 -11.427 1.00 0.00 C ATOM 0 H ILE A 47 102.208 -8.364 -7.612 1.00 0.00 H new ATOM 0 HA ILE A 47 102.504 -10.559 -9.683 1.00 0.00 H new ATOM 0 HB ILE A 47 102.581 -7.506 -9.962 1.00 0.00 H new ATOM 0 HG12 ILE A 47 100.566 -9.465 -11.168 1.00 0.00 H new ATOM 0 HG13 ILE A 47 100.263 -8.594 -9.678 1.00 0.00 H new ATOM 0 HG21 ILE A 47 102.788 -7.984 -12.397 1.00 0.00 H new ATOM 0 HG22 ILE A 47 104.143 -8.693 -11.487 1.00 0.00 H new ATOM 0 HG23 ILE A 47 102.810 -9.729 -12.049 1.00 0.00 H new ATOM 0 HD11 ILE A 47 99.304 -7.375 -11.617 1.00 0.00 H new ATOM 0 HD12 ILE A 47 100.604 -6.422 -10.863 1.00 0.00 H new ATOM 0 HD13 ILE A 47 100.912 -7.306 -12.376 1.00 0.00 H new ATOM 754 N VAL A 48 104.955 -10.485 -9.401 1.00 0.00 N ATOM 755 CA VAL A 48 106.431 -10.467 -9.151 1.00 0.00 C ATOM 756 C VAL A 48 107.089 -9.442 -10.081 1.00 0.00 C ATOM 757 O VAL A 48 106.762 -9.353 -11.247 1.00 0.00 O ATOM 758 CB VAL A 48 106.937 -11.889 -9.457 1.00 0.00 C ATOM 759 CG1 VAL A 48 108.427 -11.995 -9.107 1.00 0.00 C ATOM 760 CG2 VAL A 48 106.135 -12.926 -8.648 1.00 0.00 C ATOM 0 H VAL A 48 104.608 -11.310 -9.890 1.00 0.00 H new ATOM 0 HA VAL A 48 106.671 -10.186 -8.126 1.00 0.00 H new ATOM 0 HB VAL A 48 106.801 -12.091 -10.519 1.00 0.00 H new ATOM 0 HG11 VAL A 48 108.781 -13.003 -9.325 1.00 0.00 H new ATOM 0 HG12 VAL A 48 108.992 -11.276 -9.700 1.00 0.00 H new ATOM 0 HG13 VAL A 48 108.568 -11.782 -8.047 1.00 0.00 H new ATOM 0 HG21 VAL A 48 106.503 -13.927 -8.874 1.00 0.00 H new ATOM 0 HG22 VAL A 48 106.254 -12.727 -7.583 1.00 0.00 H new ATOM 0 HG23 VAL A 48 105.080 -12.858 -8.914 1.00 0.00 H new ATOM 770 N THR A 49 108.012 -8.670 -9.568 1.00 0.00 N ATOM 771 CA THR A 49 108.624 -7.567 -10.382 1.00 0.00 C ATOM 772 C THR A 49 109.396 -8.126 -11.585 1.00 0.00 C ATOM 773 O THR A 49 109.578 -7.446 -12.578 1.00 0.00 O ATOM 774 CB THR A 49 109.572 -6.828 -9.433 1.00 0.00 C ATOM 775 OG1 THR A 49 110.516 -7.747 -8.901 1.00 0.00 O ATOM 776 CG2 THR A 49 108.773 -6.194 -8.291 1.00 0.00 C ATOM 0 H THR A 49 108.372 -8.753 -8.617 1.00 0.00 H new ATOM 0 HA THR A 49 107.858 -6.906 -10.787 1.00 0.00 H new ATOM 0 HB THR A 49 110.094 -6.044 -9.982 1.00 0.00 H new ATOM 0 HG1 THR A 49 110.095 -8.274 -8.190 1.00 0.00 H new ATOM 0 HG21 THR A 49 109.452 -5.670 -7.619 1.00 0.00 H new ATOM 0 HG22 THR A 49 108.051 -5.488 -8.701 1.00 0.00 H new ATOM 0 HG23 THR A 49 108.246 -6.973 -7.739 1.00 0.00 H new ATOM 784 N LYS A 50 109.853 -9.354 -11.508 1.00 0.00 N ATOM 785 CA LYS A 50 110.692 -9.919 -12.619 1.00 0.00 C ATOM 786 C LYS A 50 109.922 -9.901 -13.946 1.00 0.00 C ATOM 787 O LYS A 50 110.517 -9.868 -15.009 1.00 0.00 O ATOM 788 CB LYS A 50 111.018 -11.367 -12.212 1.00 0.00 C ATOM 789 CG LYS A 50 111.857 -11.392 -10.926 1.00 0.00 C ATOM 790 CD LYS A 50 112.044 -12.842 -10.468 1.00 0.00 C ATOM 791 CE LYS A 50 113.032 -13.547 -11.401 1.00 0.00 C ATOM 792 NZ LYS A 50 113.186 -14.915 -10.831 1.00 0.00 N ATOM 0 H LYS A 50 109.683 -9.989 -10.728 1.00 0.00 H new ATOM 0 HA LYS A 50 111.597 -9.329 -12.767 1.00 0.00 H new ATOM 0 HB2 LYS A 50 110.094 -11.925 -12.060 1.00 0.00 H new ATOM 0 HB3 LYS A 50 111.561 -11.863 -13.016 1.00 0.00 H new ATOM 0 HG2 LYS A 50 112.827 -10.927 -11.102 1.00 0.00 H new ATOM 0 HG3 LYS A 50 111.363 -10.813 -10.145 1.00 0.00 H new ATOM 0 HD2 LYS A 50 112.414 -12.866 -9.443 1.00 0.00 H new ATOM 0 HD3 LYS A 50 111.087 -13.363 -10.474 1.00 0.00 H new ATOM 0 HE2 LYS A 50 112.653 -13.585 -12.422 1.00 0.00 H new ATOM 0 HE3 LYS A 50 113.987 -13.023 -11.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 113.850 -15.462 -11.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 113.554 -14.847 -9.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 112.262 -15.392 -10.818 1.00 0.00 H new ATOM 806 N ASP A 51 108.612 -9.921 -13.895 1.00 0.00 N ATOM 807 CA ASP A 51 107.816 -9.816 -15.159 1.00 0.00 C ATOM 808 C ASP A 51 107.521 -8.346 -15.513 1.00 0.00 C ATOM 809 O ASP A 51 106.703 -8.072 -16.373 1.00 0.00 O ATOM 810 CB ASP A 51 106.517 -10.605 -14.913 1.00 0.00 C ATOM 811 CG ASP A 51 105.727 -10.019 -13.734 1.00 0.00 C ATOM 812 OD1 ASP A 51 105.460 -8.830 -13.750 1.00 0.00 O ATOM 813 OD2 ASP A 51 105.397 -10.778 -12.838 1.00 0.00 O ATOM 0 H ASP A 51 108.063 -10.005 -13.040 1.00 0.00 H new ATOM 0 HA ASP A 51 108.367 -10.223 -16.007 1.00 0.00 H new ATOM 0 HB2 ASP A 51 105.901 -10.586 -15.812 1.00 0.00 H new ATOM 0 HB3 ASP A 51 106.755 -11.649 -14.711 1.00 0.00 H new ATOM 818 N ILE A 52 108.172 -7.400 -14.863 1.00 0.00 N ATOM 819 CA ILE A 52 108.029 -5.968 -15.291 1.00 0.00 C ATOM 820 C ILE A 52 108.794 -5.742 -16.600 1.00 0.00 C ATOM 821 O ILE A 52 110.009 -5.813 -16.636 1.00 0.00 O ATOM 822 CB ILE A 52 108.638 -5.127 -14.152 1.00 0.00 C ATOM 823 CG1 ILE A 52 107.789 -5.288 -12.884 1.00 0.00 C ATOM 824 CG2 ILE A 52 108.677 -3.642 -14.556 1.00 0.00 C ATOM 825 CD1 ILE A 52 108.523 -4.666 -11.691 1.00 0.00 C ATOM 0 H ILE A 52 108.788 -7.557 -14.065 1.00 0.00 H new ATOM 0 HA ILE A 52 106.989 -5.694 -15.470 1.00 0.00 H new ATOM 0 HB ILE A 52 109.654 -5.473 -13.959 1.00 0.00 H new ATOM 0 HG12 ILE A 52 106.821 -4.806 -13.019 1.00 0.00 H new ATOM 0 HG13 ILE A 52 107.596 -6.344 -12.695 1.00 0.00 H new ATOM 0 HG21 ILE A 52 109.109 -3.056 -13.745 1.00 0.00 H new ATOM 0 HG22 ILE A 52 109.286 -3.525 -15.453 1.00 0.00 H new ATOM 0 HG23 ILE A 52 107.664 -3.293 -14.757 1.00 0.00 H new ATOM 0 HD11 ILE A 52 107.918 -4.781 -10.791 1.00 0.00 H new ATOM 0 HD12 ILE A 52 109.481 -5.167 -11.551 1.00 0.00 H new ATOM 0 HD13 ILE A 52 108.693 -3.606 -11.881 1.00 0.00 H new ATOM 837 N LYS A 53 108.087 -5.472 -17.669 1.00 0.00 N ATOM 838 CA LYS A 53 108.771 -5.034 -18.926 1.00 0.00 C ATOM 839 C LYS A 53 109.137 -3.551 -18.830 1.00 0.00 C ATOM 840 O LYS A 53 110.205 -3.142 -19.247 1.00 0.00 O ATOM 841 CB LYS A 53 107.758 -5.265 -20.051 1.00 0.00 C ATOM 842 CG LYS A 53 108.410 -4.970 -21.406 1.00 0.00 C ATOM 843 CD LYS A 53 107.371 -5.132 -22.516 1.00 0.00 C ATOM 844 CE LYS A 53 108.048 -4.963 -23.879 1.00 0.00 C ATOM 845 NZ LYS A 53 108.057 -3.494 -24.125 1.00 0.00 N ATOM 0 H LYS A 53 107.071 -5.535 -17.727 1.00 0.00 H new ATOM 0 HA LYS A 53 109.694 -5.586 -19.102 1.00 0.00 H new ATOM 0 HB2 LYS A 53 107.401 -6.295 -20.025 1.00 0.00 H new ATOM 0 HB3 LYS A 53 106.889 -4.623 -19.908 1.00 0.00 H new ATOM 0 HG2 LYS A 53 108.813 -3.957 -21.415 1.00 0.00 H new ATOM 0 HG3 LYS A 53 109.247 -5.648 -21.574 1.00 0.00 H new ATOM 0 HD2 LYS A 53 106.903 -6.114 -22.450 1.00 0.00 H new ATOM 0 HD3 LYS A 53 106.579 -4.393 -22.398 1.00 0.00 H new ATOM 0 HE2 LYS A 53 109.060 -5.368 -23.870 1.00 0.00 H new ATOM 0 HE3 LYS A 53 107.500 -5.491 -24.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 108.863 -3.249 -24.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 107.172 -3.215 -24.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 108.142 -2.991 -23.219 1.00 0.00 H new ATOM 859 N ASP A 54 108.258 -2.749 -18.278 1.00 0.00 N ATOM 860 CA ASP A 54 108.513 -1.267 -18.233 1.00 0.00 C ATOM 861 C ASP A 54 107.778 -0.626 -17.056 1.00 0.00 C ATOM 862 O ASP A 54 106.790 -1.147 -16.577 1.00 0.00 O ATOM 863 CB ASP A 54 107.971 -0.717 -19.555 1.00 0.00 C ATOM 864 CG ASP A 54 108.878 -1.150 -20.708 1.00 0.00 C ATOM 865 OD1 ASP A 54 110.079 -0.980 -20.588 1.00 0.00 O ATOM 866 OD2 ASP A 54 108.354 -1.643 -21.694 1.00 0.00 O ATOM 0 H ASP A 54 107.379 -3.051 -17.858 1.00 0.00 H new ATOM 0 HA ASP A 54 109.573 -1.049 -18.103 1.00 0.00 H new ATOM 0 HB2 ASP A 54 106.957 -1.080 -19.722 1.00 0.00 H new ATOM 0 HB3 ASP A 54 107.917 0.371 -19.512 1.00 0.00 H new ATOM 871 N LEU A 55 108.254 0.506 -16.591 1.00 0.00 N ATOM 872 CA LEU A 55 107.621 1.163 -15.405 1.00 0.00 C ATOM 873 C LEU A 55 107.445 2.668 -15.641 1.00 0.00 C ATOM 874 O LEU A 55 108.269 3.307 -16.268 1.00 0.00 O ATOM 875 CB LEU A 55 108.598 0.931 -14.251 1.00 0.00 C ATOM 876 CG LEU A 55 108.407 -0.475 -13.689 1.00 0.00 C ATOM 877 CD1 LEU A 55 109.673 -0.906 -12.946 1.00 0.00 C ATOM 878 CD2 LEU A 55 107.222 -0.479 -12.720 1.00 0.00 C ATOM 0 H LEU A 55 109.054 1.002 -16.983 1.00 0.00 H new ATOM 0 HA LEU A 55 106.631 0.754 -15.204 1.00 0.00 H new ATOM 0 HB2 LEU A 55 109.623 1.058 -14.599 1.00 0.00 H new ATOM 0 HB3 LEU A 55 108.433 1.671 -13.468 1.00 0.00 H new ATOM 0 HG LEU A 55 108.212 -1.169 -14.507 1.00 0.00 H new ATOM 0 HD11 LEU A 55 109.535 -1.910 -12.545 1.00 0.00 H new ATOM 0 HD12 LEU A 55 110.518 -0.903 -13.635 1.00 0.00 H new ATOM 0 HD13 LEU A 55 109.869 -0.212 -12.128 1.00 0.00 H new ATOM 0 HD21 LEU A 55 107.084 -1.483 -12.318 1.00 0.00 H new ATOM 0 HD22 LEU A 55 107.418 0.216 -11.903 1.00 0.00 H new ATOM 0 HD23 LEU A 55 106.319 -0.173 -13.248 1.00 0.00 H new ATOM 890 N ARG A 56 106.372 3.229 -15.139 1.00 0.00 N ATOM 891 CA ARG A 56 106.197 4.711 -15.173 1.00 0.00 C ATOM 892 C ARG A 56 105.390 5.164 -13.947 1.00 0.00 C ATOM 893 O ARG A 56 104.686 4.378 -13.342 1.00 0.00 O ATOM 894 CB ARG A 56 105.440 5.003 -16.481 1.00 0.00 C ATOM 895 CG ARG A 56 104.013 4.430 -16.420 1.00 0.00 C ATOM 896 CD ARG A 56 103.590 3.918 -17.801 1.00 0.00 C ATOM 897 NE ARG A 56 103.590 5.120 -18.697 1.00 0.00 N ATOM 898 CZ ARG A 56 103.608 5.001 -20.011 1.00 0.00 C ATOM 899 NH1 ARG A 56 103.618 3.825 -20.596 1.00 0.00 N ATOM 900 NH2 ARG A 56 103.613 6.077 -20.748 1.00 0.00 N ATOM 0 H ARG A 56 105.604 2.717 -14.704 1.00 0.00 H new ATOM 0 HA ARG A 56 107.146 5.247 -15.143 1.00 0.00 H new ATOM 0 HB2 ARG A 56 105.399 6.079 -16.651 1.00 0.00 H new ATOM 0 HB3 ARG A 56 105.977 4.567 -17.323 1.00 0.00 H new ATOM 0 HG2 ARG A 56 103.970 3.618 -15.694 1.00 0.00 H new ATOM 0 HG3 ARG A 56 103.319 5.199 -16.080 1.00 0.00 H new ATOM 0 HD2 ARG A 56 104.281 3.158 -18.165 1.00 0.00 H new ATOM 0 HD3 ARG A 56 102.602 3.458 -17.763 1.00 0.00 H new ATOM 0 HE ARG A 56 103.576 6.051 -18.281 1.00 0.00 H new ATOM 0 HH11 ARG A 56 103.612 2.975 -20.032 1.00 0.00 H new ATOM 0 HH12 ARG A 56 103.632 3.762 -21.614 1.00 0.00 H new ATOM 0 HH21 ARG A 56 103.603 6.997 -20.307 1.00 0.00 H new ATOM 0 HH22 ARG A 56 103.627 5.999 -21.765 1.00 0.00 H new ATOM 914 N ILE A 57 105.489 6.417 -13.580 1.00 0.00 N ATOM 915 CA ILE A 57 104.669 6.935 -12.440 1.00 0.00 C ATOM 916 C ILE A 57 103.585 7.878 -12.976 1.00 0.00 C ATOM 917 O ILE A 57 103.863 8.781 -13.743 1.00 0.00 O ATOM 918 CB ILE A 57 105.651 7.684 -11.524 1.00 0.00 C ATOM 919 CG1 ILE A 57 106.754 6.726 -11.047 1.00 0.00 C ATOM 920 CG2 ILE A 57 104.899 8.225 -10.302 1.00 0.00 C ATOM 921 CD1 ILE A 57 107.913 7.527 -10.442 1.00 0.00 C ATOM 0 H ILE A 57 106.102 7.104 -14.020 1.00 0.00 H new ATOM 0 HA ILE A 57 104.163 6.137 -11.896 1.00 0.00 H new ATOM 0 HB ILE A 57 106.098 8.508 -12.080 1.00 0.00 H new ATOM 0 HG12 ILE A 57 106.352 6.035 -10.306 1.00 0.00 H new ATOM 0 HG13 ILE A 57 107.113 6.125 -11.883 1.00 0.00 H new ATOM 0 HG21 ILE A 57 105.595 8.756 -9.652 1.00 0.00 H new ATOM 0 HG22 ILE A 57 104.115 8.908 -10.630 1.00 0.00 H new ATOM 0 HG23 ILE A 57 104.451 7.396 -9.754 1.00 0.00 H new ATOM 0 HD11 ILE A 57 108.692 6.843 -10.106 1.00 0.00 H new ATOM 0 HD12 ILE A 57 108.322 8.200 -11.195 1.00 0.00 H new ATOM 0 HD13 ILE A 57 107.550 8.108 -9.594 1.00 0.00 H new ATOM 933 N LEU A 58 102.354 7.669 -12.574 1.00 0.00 N ATOM 934 CA LEU A 58 101.226 8.479 -13.137 1.00 0.00 C ATOM 935 C LEU A 58 101.116 9.822 -12.397 1.00 0.00 C ATOM 936 O LEU A 58 101.606 9.951 -11.292 1.00 0.00 O ATOM 937 CB LEU A 58 99.966 7.636 -12.912 1.00 0.00 C ATOM 938 CG LEU A 58 100.063 6.337 -13.718 1.00 0.00 C ATOM 939 CD1 LEU A 58 99.047 5.325 -13.184 1.00 0.00 C ATOM 940 CD2 LEU A 58 99.770 6.622 -15.193 1.00 0.00 C ATOM 0 H LEU A 58 102.081 6.973 -11.880 1.00 0.00 H new ATOM 0 HA LEU A 58 101.374 8.707 -14.193 1.00 0.00 H new ATOM 0 HB2 LEU A 58 99.853 7.410 -11.852 1.00 0.00 H new ATOM 0 HB3 LEU A 58 99.082 8.198 -13.214 1.00 0.00 H new ATOM 0 HG LEU A 58 101.069 5.929 -13.621 1.00 0.00 H new ATOM 0 HD11 LEU A 58 99.117 4.401 -13.758 1.00 0.00 H new ATOM 0 HD12 LEU A 58 99.258 5.117 -12.135 1.00 0.00 H new ATOM 0 HD13 LEU A 58 98.041 5.735 -13.278 1.00 0.00 H new ATOM 0 HD21 LEU A 58 99.840 5.696 -15.763 1.00 0.00 H new ATOM 0 HD22 LEU A 58 98.766 7.034 -15.291 1.00 0.00 H new ATOM 0 HD23 LEU A 58 100.496 7.340 -15.576 1.00 0.00 H new