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= -0.502 X(o=-0.39,f=-0.79) USER MOD Set 1.2: A 43 SER OG : rot 72:sc= 0.115 USER MOD Set 2.1: A 17 ASN : amide:sc= -0.424 K(o=0.63,f=-1.9!) USER MOD Set 2.2: A 19 SER OG : rot -123:sc= 1.06 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -3.02! C(o=-3!,f=-5.8!) USER MOD Single : A 16 ASN : amide:sc= -1.36 K(o=-1.4,f=-4.7!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -64:sc= 0.732 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -49:sc= 0.983 USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 44 THR OG1 : rot -150:sc= -0.104 USER MOD Single : A 45 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.0513) USER MOD Single : A 46 SER OG : rot 12:sc= 0.967 USER MOD Single : A 49 THR OG1 : rot -75:sc= -0.633 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.0988) USER MOD ----------------------------------------------------------------- ATOM 151 N GLY A 8 102.634 3.080 -1.514 1.00 0.00 N ATOM 152 CA GLY A 8 101.476 4.018 -1.613 1.00 0.00 C ATOM 153 C GLY A 8 101.605 4.905 -2.864 1.00 0.00 C ATOM 154 O GLY A 8 100.793 5.786 -3.082 1.00 0.00 O ATOM 0 HA2 GLY A 8 100.545 3.452 -1.656 1.00 0.00 H new ATOM 0 HA3 GLY A 8 101.429 4.642 -0.721 1.00 0.00 H new ATOM 158 N SER A 9 102.611 4.685 -3.686 1.00 0.00 N ATOM 159 CA SER A 9 102.776 5.524 -4.913 1.00 0.00 C ATOM 160 C SER A 9 101.967 4.932 -6.069 1.00 0.00 C ATOM 161 O SER A 9 101.847 3.728 -6.196 1.00 0.00 O ATOM 162 CB SER A 9 104.272 5.485 -5.230 1.00 0.00 C ATOM 163 OG SER A 9 104.997 6.054 -4.148 1.00 0.00 O ATOM 0 H SER A 9 103.320 3.963 -3.557 1.00 0.00 H new ATOM 0 HA SER A 9 102.421 6.544 -4.764 1.00 0.00 H new ATOM 0 HB2 SER A 9 104.593 4.457 -5.397 1.00 0.00 H new ATOM 0 HB3 SER A 9 104.475 6.036 -6.148 1.00 0.00 H new ATOM 0 HG SER A 9 105.956 6.029 -4.348 1.00 0.00 H new ATOM 169 N ASN A 10 101.413 5.769 -6.910 1.00 0.00 N ATOM 170 CA ASN A 10 100.643 5.260 -8.087 1.00 0.00 C ATOM 171 C ASN A 10 101.559 5.183 -9.309 1.00 0.00 C ATOM 172 O ASN A 10 102.036 6.190 -9.800 1.00 0.00 O ATOM 173 CB ASN A 10 99.532 6.287 -8.319 1.00 0.00 C ATOM 174 CG ASN A 10 98.573 6.295 -7.127 1.00 0.00 C ATOM 175 OD1 ASN A 10 98.998 6.368 -5.990 1.00 0.00 O ATOM 176 ND2 ASN A 10 97.287 6.223 -7.338 1.00 0.00 N ATOM 0 H ASN A 10 101.461 6.785 -6.832 1.00 0.00 H new ATOM 0 HA ASN A 10 100.240 4.262 -7.917 1.00 0.00 H new ATOM 0 HB2 ASN A 10 99.964 7.278 -8.456 1.00 0.00 H new ATOM 0 HB3 ASN A 10 98.988 6.047 -9.233 1.00 0.00 H new ATOM 0 HD21 ASN A 10 96.640 6.228 -6.550 1.00 0.00 H new ATOM 0 HD22 ASN A 10 96.929 6.162 -8.291 1.00 0.00 H new ATOM 183 N VAL A 11 101.803 3.995 -9.797 1.00 0.00 N ATOM 184 CA VAL A 11 102.683 3.830 -10.995 1.00 0.00 C ATOM 185 C VAL A 11 101.995 2.923 -12.019 1.00 0.00 C ATOM 186 O VAL A 11 101.061 2.215 -11.689 1.00 0.00 O ATOM 187 CB VAL A 11 103.978 3.177 -10.472 1.00 0.00 C ATOM 188 CG1 VAL A 11 104.663 4.120 -9.481 1.00 0.00 C ATOM 189 CG2 VAL A 11 103.665 1.848 -9.767 1.00 0.00 C ATOM 0 H VAL A 11 101.429 3.126 -9.416 1.00 0.00 H new ATOM 0 HA VAL A 11 102.890 4.779 -11.489 1.00 0.00 H new ATOM 0 HB VAL A 11 104.636 2.984 -11.319 1.00 0.00 H new ATOM 0 HG11 VAL A 11 105.578 3.657 -9.112 1.00 0.00 H new ATOM 0 HG12 VAL A 11 104.906 5.058 -9.980 1.00 0.00 H new ATOM 0 HG13 VAL A 11 103.993 4.317 -8.644 1.00 0.00 H new ATOM 0 HG21 VAL A 11 104.591 1.402 -9.405 1.00 0.00 H new ATOM 0 HG22 VAL A 11 102.997 2.031 -8.926 1.00 0.00 H new ATOM 0 HG23 VAL A 11 103.185 1.167 -10.470 1.00 0.00 H new ATOM 199 N GLU A 12 102.439 2.939 -13.254 1.00 0.00 N ATOM 200 CA GLU A 12 102.008 1.870 -14.204 1.00 0.00 C ATOM 201 C GLU A 12 103.228 1.082 -14.680 1.00 0.00 C ATOM 202 O GLU A 12 104.285 1.638 -14.907 1.00 0.00 O ATOM 203 CB GLU A 12 101.366 2.604 -15.380 1.00 0.00 C ATOM 204 CG GLU A 12 100.725 1.590 -16.333 1.00 0.00 C ATOM 205 CD GLU A 12 100.282 2.297 -17.614 1.00 0.00 C ATOM 206 OE1 GLU A 12 101.079 2.367 -18.534 1.00 0.00 O ATOM 207 OE2 GLU A 12 99.152 2.756 -17.652 1.00 0.00 O ATOM 0 H GLU A 12 103.074 3.638 -13.640 1.00 0.00 H new ATOM 0 HA GLU A 12 101.317 1.165 -13.743 1.00 0.00 H new ATOM 0 HB2 GLU A 12 100.613 3.303 -15.017 1.00 0.00 H new ATOM 0 HB3 GLU A 12 102.117 3.191 -15.909 1.00 0.00 H new ATOM 0 HG2 GLU A 12 101.436 0.799 -16.570 1.00 0.00 H new ATOM 0 HG3 GLU A 12 99.869 1.116 -15.853 1.00 0.00 H new ATOM 214 N VAL A 13 103.085 -0.210 -14.828 1.00 0.00 N ATOM 215 CA VAL A 13 104.206 -1.036 -15.365 1.00 0.00 C ATOM 216 C VAL A 13 103.692 -1.914 -16.509 1.00 0.00 C ATOM 217 O VAL A 13 102.652 -2.539 -16.391 1.00 0.00 O ATOM 218 CB VAL A 13 104.682 -1.887 -14.172 1.00 0.00 C ATOM 219 CG1 VAL A 13 103.627 -2.935 -13.791 1.00 0.00 C ATOM 220 CG2 VAL A 13 105.978 -2.603 -14.545 1.00 0.00 C ATOM 0 H VAL A 13 102.237 -0.729 -14.599 1.00 0.00 H new ATOM 0 HA VAL A 13 105.021 -0.436 -15.770 1.00 0.00 H new ATOM 0 HB VAL A 13 104.845 -1.225 -13.321 1.00 0.00 H new ATOM 0 HG11 VAL A 13 103.987 -3.523 -12.946 1.00 0.00 H new ATOM 0 HG12 VAL A 13 102.699 -2.434 -13.515 1.00 0.00 H new ATOM 0 HG13 VAL A 13 103.445 -3.594 -14.640 1.00 0.00 H new ATOM 0 HG21 VAL A 13 106.316 -3.206 -13.702 1.00 0.00 H new ATOM 0 HG22 VAL A 13 105.802 -3.249 -15.405 1.00 0.00 H new ATOM 0 HG23 VAL A 13 106.742 -1.866 -14.794 1.00 0.00 H new ATOM 230 N LEU A 14 104.399 -1.969 -17.609 1.00 0.00 N ATOM 231 CA LEU A 14 103.987 -2.914 -18.690 1.00 0.00 C ATOM 232 C LEU A 14 104.662 -4.260 -18.478 1.00 0.00 C ATOM 233 O LEU A 14 105.840 -4.330 -18.177 1.00 0.00 O ATOM 234 CB LEU A 14 104.438 -2.328 -20.038 1.00 0.00 C ATOM 235 CG LEU A 14 104.035 -0.847 -20.229 1.00 0.00 C ATOM 236 CD1 LEU A 14 103.815 -0.602 -21.726 1.00 0.00 C ATOM 237 CD2 LEU A 14 102.748 -0.495 -19.465 1.00 0.00 C ATOM 0 H LEU A 14 105.230 -1.411 -17.804 1.00 0.00 H new ATOM 0 HA LEU A 14 102.906 -3.051 -18.675 1.00 0.00 H new ATOM 0 HB2 LEU A 14 105.521 -2.416 -20.120 1.00 0.00 H new ATOM 0 HB3 LEU A 14 104.009 -2.921 -20.846 1.00 0.00 H new ATOM 0 HG LEU A 14 104.832 -0.217 -19.834 1.00 0.00 H new ATOM 0 HD11 LEU A 14 103.529 0.438 -21.886 1.00 0.00 H new ATOM 0 HD12 LEU A 14 104.737 -0.813 -22.269 1.00 0.00 H new ATOM 0 HD13 LEU A 14 103.022 -1.256 -22.089 1.00 0.00 H new ATOM 0 HD21 LEU A 14 102.503 0.555 -19.628 1.00 0.00 H new ATOM 0 HD22 LEU A 14 101.929 -1.118 -19.825 1.00 0.00 H new ATOM 0 HD23 LEU A 14 102.897 -0.671 -18.400 1.00 0.00 H new ATOM 249 N LEU A 15 103.925 -5.326 -18.629 1.00 0.00 N ATOM 250 CA LEU A 15 104.540 -6.678 -18.490 1.00 0.00 C ATOM 251 C LEU A 15 105.185 -7.100 -19.814 1.00 0.00 C ATOM 252 O LEU A 15 105.093 -6.405 -20.808 1.00 0.00 O ATOM 253 CB LEU A 15 103.389 -7.622 -18.125 1.00 0.00 C ATOM 254 CG LEU A 15 102.788 -7.214 -16.775 1.00 0.00 C ATOM 255 CD1 LEU A 15 101.492 -7.992 -16.539 1.00 0.00 C ATOM 256 CD2 LEU A 15 103.781 -7.534 -15.656 1.00 0.00 C ATOM 0 H LEU A 15 102.927 -5.321 -18.842 1.00 0.00 H new ATOM 0 HA LEU A 15 105.323 -6.694 -17.732 1.00 0.00 H new ATOM 0 HB2 LEU A 15 102.622 -7.591 -18.899 1.00 0.00 H new ATOM 0 HB3 LEU A 15 103.751 -8.649 -18.076 1.00 0.00 H new ATOM 0 HG LEU A 15 102.577 -6.145 -16.781 1.00 0.00 H new ATOM 0 HD11 LEU A 15 101.064 -7.703 -15.579 1.00 0.00 H new ATOM 0 HD12 LEU A 15 100.783 -7.767 -17.335 1.00 0.00 H new ATOM 0 HD13 LEU A 15 101.705 -9.061 -16.534 1.00 0.00 H new ATOM 0 HD21 LEU A 15 103.354 -7.244 -14.696 1.00 0.00 H new ATOM 0 HD22 LEU A 15 103.991 -8.603 -15.651 1.00 0.00 H new ATOM 0 HD23 LEU A 15 104.707 -6.983 -15.822 1.00 0.00 H new ATOM 268 N ASN A 16 105.836 -8.237 -19.826 1.00 0.00 N ATOM 269 CA ASN A 16 106.573 -8.698 -21.055 1.00 0.00 C ATOM 270 C ASN A 16 105.633 -8.812 -22.267 1.00 0.00 C ATOM 271 O ASN A 16 106.074 -8.772 -23.402 1.00 0.00 O ATOM 272 CB ASN A 16 107.161 -10.074 -20.695 1.00 0.00 C ATOM 273 CG ASN A 16 106.042 -11.046 -20.296 1.00 0.00 C ATOM 274 OD1 ASN A 16 105.146 -11.312 -21.071 1.00 0.00 O ATOM 275 ND2 ASN A 16 106.059 -11.589 -19.109 1.00 0.00 N ATOM 0 H ASN A 16 105.892 -8.875 -19.032 1.00 0.00 H new ATOM 0 HA ASN A 16 107.347 -7.985 -21.338 1.00 0.00 H new ATOM 0 HB2 ASN A 16 107.713 -10.474 -21.545 1.00 0.00 H new ATOM 0 HB3 ASN A 16 107.871 -9.970 -19.874 1.00 0.00 H new ATOM 0 HD21 ASN A 16 105.320 -12.236 -18.834 1.00 0.00 H new ATOM 0 HD22 ASN A 16 106.811 -11.366 -18.457 1.00 0.00 H new ATOM 282 N ASN A 17 104.351 -8.952 -22.036 1.00 0.00 N ATOM 283 CA ASN A 17 103.400 -9.171 -23.172 1.00 0.00 C ATOM 284 C ASN A 17 102.681 -7.866 -23.558 1.00 0.00 C ATOM 285 O ASN A 17 101.589 -7.898 -24.093 1.00 0.00 O ATOM 286 CB ASN A 17 102.401 -10.228 -22.670 1.00 0.00 C ATOM 287 CG ASN A 17 101.644 -9.720 -21.436 1.00 0.00 C ATOM 288 OD1 ASN A 17 100.654 -9.029 -21.560 1.00 0.00 O ATOM 289 ND2 ASN A 17 102.074 -10.039 -20.246 1.00 0.00 N ATOM 0 H ASN A 17 103.921 -8.924 -21.111 1.00 0.00 H new ATOM 0 HA ASN A 17 103.919 -9.502 -24.071 1.00 0.00 H new ATOM 0 HB2 ASN A 17 101.693 -10.471 -23.462 1.00 0.00 H new ATOM 0 HB3 ASN A 17 102.931 -11.148 -22.424 1.00 0.00 H new ATOM 0 HD21 ASN A 17 101.578 -9.708 -19.419 1.00 0.00 H new ATOM 0 HD22 ASN A 17 102.906 -10.620 -20.143 1.00 0.00 H new ATOM 296 N ASP A 18 103.280 -6.716 -23.290 1.00 0.00 N ATOM 297 CA ASP A 18 102.724 -5.412 -23.793 1.00 0.00 C ATOM 298 C ASP A 18 101.295 -5.191 -23.278 1.00 0.00 C ATOM 299 O ASP A 18 100.511 -4.494 -23.895 1.00 0.00 O ATOM 300 CB ASP A 18 102.738 -5.502 -25.327 1.00 0.00 C ATOM 301 CG ASP A 18 104.181 -5.618 -25.825 1.00 0.00 C ATOM 302 OD1 ASP A 18 105.029 -4.915 -25.297 1.00 0.00 O ATOM 303 OD2 ASP A 18 104.415 -6.406 -26.726 1.00 0.00 O ATOM 0 H ASP A 18 104.135 -6.630 -22.741 1.00 0.00 H new ATOM 0 HA ASP A 18 103.319 -4.570 -23.439 1.00 0.00 H new ATOM 0 HB2 ASP A 18 102.159 -6.365 -25.655 1.00 0.00 H new ATOM 0 HB3 ASP A 18 102.265 -4.619 -25.757 1.00 0.00 H new ATOM 308 N SER A 19 100.953 -5.781 -22.155 1.00 0.00 N ATOM 309 CA SER A 19 99.684 -5.406 -21.468 1.00 0.00 C ATOM 310 C SER A 19 100.006 -4.451 -20.321 1.00 0.00 C ATOM 311 O SER A 19 100.909 -4.697 -19.541 1.00 0.00 O ATOM 312 CB SER A 19 99.106 -6.718 -20.937 1.00 0.00 C ATOM 313 OG SER A 19 99.955 -7.226 -19.915 1.00 0.00 O ATOM 0 H SER A 19 101.500 -6.505 -21.689 1.00 0.00 H new ATOM 0 HA SER A 19 98.976 -4.905 -22.128 1.00 0.00 H new ATOM 0 HB2 SER A 19 98.103 -6.554 -20.544 1.00 0.00 H new ATOM 0 HB3 SER A 19 99.017 -7.443 -21.746 1.00 0.00 H new ATOM 0 HG SER A 19 100.243 -8.133 -20.150 1.00 0.00 H new ATOM 319 N LYS A 20 99.279 -3.371 -20.209 1.00 0.00 N ATOM 320 CA LYS A 20 99.669 -2.304 -19.236 1.00 0.00 C ATOM 321 C LYS A 20 98.677 -2.257 -18.071 1.00 0.00 C ATOM 322 O LYS A 20 97.482 -2.391 -18.256 1.00 0.00 O ATOM 323 CB LYS A 20 99.617 -0.981 -20.024 1.00 0.00 C ATOM 324 CG LYS A 20 100.308 -1.127 -21.391 1.00 0.00 C ATOM 325 CD LYS A 20 100.401 0.243 -22.066 1.00 0.00 C ATOM 326 CE LYS A 20 100.977 0.079 -23.474 1.00 0.00 C ATOM 327 NZ LYS A 20 101.238 1.468 -23.946 1.00 0.00 N ATOM 0 H LYS A 20 98.434 -3.180 -20.747 1.00 0.00 H new ATOM 0 HA LYS A 20 100.658 -2.489 -18.815 1.00 0.00 H new ATOM 0 HB2 LYS A 20 98.579 -0.679 -20.167 1.00 0.00 H new ATOM 0 HB3 LYS A 20 100.102 -0.192 -19.450 1.00 0.00 H new ATOM 0 HG2 LYS A 20 101.305 -1.549 -21.263 1.00 0.00 H new ATOM 0 HG3 LYS A 20 99.748 -1.817 -22.022 1.00 0.00 H new ATOM 0 HD2 LYS A 20 99.414 0.703 -22.116 1.00 0.00 H new ATOM 0 HD3 LYS A 20 101.033 0.908 -21.478 1.00 0.00 H new ATOM 0 HE2 LYS A 20 101.893 -0.512 -23.460 1.00 0.00 H new ATOM 0 HE3 LYS A 20 100.275 -0.436 -24.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 101.635 1.439 -24.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 100.347 2.005 -23.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 101.914 1.931 -23.306 1.00 0.00 H new ATOM 341 N ALA A 21 99.173 -2.069 -16.871 1.00 0.00 N ATOM 342 CA ALA A 21 98.270 -1.931 -15.686 1.00 0.00 C ATOM 343 C ALA A 21 98.826 -0.878 -14.722 1.00 0.00 C ATOM 344 O ALA A 21 100.027 -0.749 -14.563 1.00 0.00 O ATOM 345 CB ALA A 21 98.264 -3.312 -15.030 1.00 0.00 C ATOM 0 H ALA A 21 100.169 -2.005 -16.662 1.00 0.00 H new ATOM 0 HA ALA A 21 97.266 -1.610 -15.964 1.00 0.00 H new ATOM 0 HB1 ALA A 21 97.622 -3.294 -14.150 1.00 0.00 H new ATOM 0 HB2 ALA A 21 97.888 -4.050 -15.739 1.00 0.00 H new ATOM 0 HB3 ALA A 21 99.279 -3.578 -14.734 1.00 0.00 H new ATOM 351 N ARG A 22 97.963 -0.128 -14.078 1.00 0.00 N ATOM 352 CA ARG A 22 98.435 0.940 -13.139 1.00 0.00 C ATOM 353 C ARG A 22 97.687 0.844 -11.808 1.00 0.00 C ATOM 354 O ARG A 22 96.550 0.414 -11.761 1.00 0.00 O ATOM 355 CB ARG A 22 98.131 2.274 -13.842 1.00 0.00 C ATOM 356 CG ARG A 22 96.628 2.397 -14.138 1.00 0.00 C ATOM 357 CD ARG A 22 96.349 3.736 -14.830 1.00 0.00 C ATOM 358 NE ARG A 22 96.664 3.510 -16.278 1.00 0.00 N ATOM 359 CZ ARG A 22 96.826 4.520 -17.112 1.00 0.00 C ATOM 360 NH1 ARG A 22 96.722 5.767 -16.711 1.00 0.00 N ATOM 361 NH2 ARG A 22 97.094 4.275 -18.365 1.00 0.00 N ATOM 0 H ARG A 22 96.950 -0.210 -14.162 1.00 0.00 H new ATOM 0 HA ARG A 22 99.497 0.843 -12.913 1.00 0.00 H new ATOM 0 HB2 ARG A 22 98.453 3.104 -13.214 1.00 0.00 H new ATOM 0 HB3 ARG A 22 98.697 2.339 -14.771 1.00 0.00 H new ATOM 0 HG2 ARG A 22 96.303 1.573 -14.773 1.00 0.00 H new ATOM 0 HG3 ARG A 22 96.058 2.329 -13.212 1.00 0.00 H new ATOM 0 HD2 ARG A 22 95.310 4.038 -14.697 1.00 0.00 H new ATOM 0 HD3 ARG A 22 96.968 4.530 -14.413 1.00 0.00 H new ATOM 0 HE ARG A 22 96.755 2.556 -16.626 1.00 0.00 H new ATOM 0 HH11 ARG A 22 96.511 5.973 -15.734 1.00 0.00 H new ATOM 0 HH12 ARG A 22 96.852 6.529 -17.376 1.00 0.00 H new ATOM 0 HH21 ARG A 22 97.176 3.312 -18.690 1.00 0.00 H new ATOM 0 HH22 ARG A 22 97.221 5.047 -19.020 1.00 0.00 H new ATOM 375 N GLY A 23 98.320 1.241 -10.730 1.00 0.00 N ATOM 376 CA GLY A 23 97.648 1.178 -9.397 1.00 0.00 C ATOM 377 C GLY A 23 98.609 1.670 -8.313 1.00 0.00 C ATOM 378 O GLY A 23 99.678 2.173 -8.607 1.00 0.00 O ATOM 0 H GLY A 23 99.273 1.606 -10.717 1.00 0.00 H new ATOM 0 HA2 GLY A 23 96.747 1.791 -9.404 1.00 0.00 H new ATOM 0 HA3 GLY A 23 97.336 0.156 -9.184 1.00 0.00 H new ATOM 382 N VAL A 24 98.235 1.528 -7.064 1.00 0.00 N ATOM 383 CA VAL A 24 99.102 2.034 -5.952 1.00 0.00 C ATOM 384 C VAL A 24 99.965 0.891 -5.409 1.00 0.00 C ATOM 385 O VAL A 24 99.472 -0.179 -5.110 1.00 0.00 O ATOM 386 CB VAL A 24 98.137 2.539 -4.865 1.00 0.00 C ATOM 387 CG1 VAL A 24 98.935 3.200 -3.738 1.00 0.00 C ATOM 388 CG2 VAL A 24 97.161 3.566 -5.460 1.00 0.00 C ATOM 0 H VAL A 24 97.367 1.083 -6.766 1.00 0.00 H new ATOM 0 HA VAL A 24 99.774 2.825 -6.285 1.00 0.00 H new ATOM 0 HB VAL A 24 97.574 1.692 -4.473 1.00 0.00 H new ATOM 0 HG11 VAL A 24 98.251 3.557 -2.969 1.00 0.00 H new ATOM 0 HG12 VAL A 24 99.622 2.473 -3.304 1.00 0.00 H new ATOM 0 HG13 VAL A 24 99.502 4.041 -4.138 1.00 0.00 H new ATOM 0 HG21 VAL A 24 96.483 3.917 -4.682 1.00 0.00 H new ATOM 0 HG22 VAL A 24 97.721 4.411 -5.861 1.00 0.00 H new ATOM 0 HG23 VAL A 24 96.586 3.100 -6.260 1.00 0.00 H new ATOM 398 N ILE A 25 101.248 1.113 -5.281 1.00 0.00 N ATOM 399 CA ILE A 25 102.157 0.035 -4.764 1.00 0.00 C ATOM 400 C ILE A 25 101.940 -0.157 -3.258 1.00 0.00 C ATOM 401 O ILE A 25 101.760 0.796 -2.523 1.00 0.00 O ATOM 402 CB ILE A 25 103.584 0.536 -5.060 1.00 0.00 C ATOM 403 CG1 ILE A 25 103.792 0.606 -6.577 1.00 0.00 C ATOM 404 CG2 ILE A 25 104.627 -0.410 -4.447 1.00 0.00 C ATOM 405 CD1 ILE A 25 105.040 1.437 -6.890 1.00 0.00 C ATOM 0 H ILE A 25 101.710 1.993 -5.511 1.00 0.00 H new ATOM 0 HA ILE A 25 101.968 -0.931 -5.233 1.00 0.00 H new ATOM 0 HB ILE A 25 103.707 1.526 -4.620 1.00 0.00 H new ATOM 0 HG12 ILE A 25 103.901 -0.399 -6.985 1.00 0.00 H new ATOM 0 HG13 ILE A 25 102.918 1.051 -7.053 1.00 0.00 H new ATOM 0 HG21 ILE A 25 105.628 -0.039 -4.667 1.00 0.00 H new ATOM 0 HG22 ILE A 25 104.486 -0.456 -3.367 1.00 0.00 H new ATOM 0 HG23 ILE A 25 104.508 -1.407 -4.871 1.00 0.00 H new ATOM 0 HD11 ILE A 25 105.184 1.484 -7.969 1.00 0.00 H new ATOM 0 HD12 ILE A 25 104.914 2.446 -6.496 1.00 0.00 H new ATOM 0 HD13 ILE A 25 105.911 0.973 -6.427 1.00 0.00 H new ATOM 417 N THR A 26 101.956 -1.389 -2.799 1.00 0.00 N ATOM 418 CA THR A 26 101.749 -1.655 -1.342 1.00 0.00 C ATOM 419 C THR A 26 102.899 -2.481 -0.751 1.00 0.00 C ATOM 420 O THR A 26 103.286 -2.270 0.385 1.00 0.00 O ATOM 421 CB THR A 26 100.437 -2.436 -1.262 1.00 0.00 C ATOM 422 OG1 THR A 26 100.500 -3.556 -2.133 1.00 0.00 O ATOM 423 CG2 THR A 26 99.273 -1.530 -1.672 1.00 0.00 C ATOM 0 H THR A 26 102.104 -2.219 -3.373 1.00 0.00 H new ATOM 0 HA THR A 26 101.717 -0.727 -0.771 1.00 0.00 H new ATOM 0 HB THR A 26 100.281 -2.780 -0.239 1.00 0.00 H new ATOM 0 HG1 THR A 26 100.576 -3.246 -3.060 1.00 0.00 H new ATOM 0 HG21 THR A 26 98.339 -2.089 -1.614 1.00 0.00 H new ATOM 0 HG22 THR A 26 99.225 -0.673 -1.000 1.00 0.00 H new ATOM 0 HG23 THR A 26 99.425 -1.182 -2.694 1.00 0.00 H new ATOM 431 N ASN A 27 103.453 -3.415 -1.497 1.00 0.00 N ATOM 432 CA ASN A 27 104.462 -4.342 -0.894 1.00 0.00 C ATOM 433 C ASN A 27 105.648 -4.555 -1.839 1.00 0.00 C ATOM 434 O ASN A 27 105.502 -4.542 -3.045 1.00 0.00 O ATOM 435 CB ASN A 27 103.712 -5.656 -0.678 1.00 0.00 C ATOM 436 CG ASN A 27 104.559 -6.592 0.187 1.00 0.00 C ATOM 437 OD1 ASN A 27 105.126 -7.547 -0.307 1.00 0.00 O ATOM 438 ND2 ASN A 27 104.668 -6.359 1.465 1.00 0.00 N ATOM 0 H ASN A 27 103.251 -3.571 -2.484 1.00 0.00 H new ATOM 0 HA ASN A 27 104.874 -3.942 0.033 1.00 0.00 H new ATOM 0 HB2 ASN A 27 102.754 -5.465 -0.195 1.00 0.00 H new ATOM 0 HB3 ASN A 27 103.497 -6.126 -1.638 1.00 0.00 H new ATOM 0 HD21 ASN A 27 105.229 -6.978 2.050 1.00 0.00 H new ATOM 0 HD22 ASN A 27 104.192 -5.558 1.880 1.00 0.00 H new ATOM 445 N PHE A 28 106.819 -4.747 -1.285 1.00 0.00 N ATOM 446 CA PHE A 28 108.009 -5.118 -2.108 1.00 0.00 C ATOM 447 C PHE A 28 108.953 -5.989 -1.276 1.00 0.00 C ATOM 448 O PHE A 28 109.332 -5.626 -0.177 1.00 0.00 O ATOM 449 CB PHE A 28 108.674 -3.790 -2.470 1.00 0.00 C ATOM 450 CG PHE A 28 109.773 -3.929 -3.496 1.00 0.00 C ATOM 451 CD1 PHE A 28 109.451 -4.250 -4.837 1.00 0.00 C ATOM 452 CD2 PHE A 28 111.124 -3.736 -3.118 1.00 0.00 C ATOM 453 CE1 PHE A 28 110.481 -4.377 -5.802 1.00 0.00 C ATOM 454 CE2 PHE A 28 112.154 -3.864 -4.082 1.00 0.00 C ATOM 455 CZ PHE A 28 111.832 -4.185 -5.424 1.00 0.00 C ATOM 0 H PHE A 28 107.002 -4.661 -0.285 1.00 0.00 H new ATOM 0 HA PHE A 28 107.744 -5.687 -2.999 1.00 0.00 H new ATOM 0 HB2 PHE A 28 107.916 -3.105 -2.851 1.00 0.00 H new ATOM 0 HB3 PHE A 28 109.086 -3.340 -1.566 1.00 0.00 H new ATOM 0 HD1 PHE A 28 108.421 -4.398 -5.124 1.00 0.00 H new ATOM 0 HD2 PHE A 28 111.369 -3.491 -2.095 1.00 0.00 H new ATOM 0 HE1 PHE A 28 110.236 -4.620 -6.825 1.00 0.00 H new ATOM 0 HE2 PHE A 28 113.184 -3.717 -3.794 1.00 0.00 H new ATOM 0 HZ PHE A 28 112.617 -4.283 -6.159 1.00 0.00 H new ATOM 465 N ASP A 29 109.334 -7.132 -1.792 1.00 0.00 N ATOM 466 CA ASP A 29 110.164 -8.084 -0.992 1.00 0.00 C ATOM 467 C ASP A 29 111.472 -8.374 -1.724 1.00 0.00 C ATOM 468 O ASP A 29 111.467 -8.752 -2.878 1.00 0.00 O ATOM 469 CB ASP A 29 109.317 -9.352 -0.880 1.00 0.00 C ATOM 470 CG ASP A 29 109.924 -10.286 0.172 1.00 0.00 C ATOM 471 OD1 ASP A 29 111.139 -10.398 0.209 1.00 0.00 O ATOM 472 OD2 ASP A 29 109.162 -10.872 0.924 1.00 0.00 O ATOM 0 H ASP A 29 109.105 -7.447 -2.735 1.00 0.00 H new ATOM 0 HA ASP A 29 110.427 -7.686 -0.012 1.00 0.00 H new ATOM 0 HB2 ASP A 29 108.294 -9.095 -0.605 1.00 0.00 H new ATOM 0 HB3 ASP A 29 109.271 -9.857 -1.845 1.00 0.00 H new ATOM 477 N SER A 30 112.589 -8.199 -1.059 1.00 0.00 N ATOM 478 CA SER A 30 113.913 -8.410 -1.729 1.00 0.00 C ATOM 479 C SER A 30 114.202 -9.906 -1.902 1.00 0.00 C ATOM 480 O SER A 30 114.840 -10.311 -2.857 1.00 0.00 O ATOM 481 CB SER A 30 114.945 -7.774 -0.795 1.00 0.00 C ATOM 482 OG SER A 30 114.589 -6.418 -0.558 1.00 0.00 O ATOM 0 H SER A 30 112.642 -7.919 -0.080 1.00 0.00 H new ATOM 0 HA SER A 30 113.935 -7.968 -2.725 1.00 0.00 H new ATOM 0 HB2 SER A 30 114.987 -8.321 0.147 1.00 0.00 H new ATOM 0 HB3 SER A 30 115.938 -7.829 -1.240 1.00 0.00 H new ATOM 0 HG SER A 30 115.247 -6.007 0.041 1.00 0.00 H new ATOM 488 N SER A 31 113.737 -10.727 -0.989 1.00 0.00 N ATOM 489 CA SER A 31 114.070 -12.190 -1.042 1.00 0.00 C ATOM 490 C SER A 31 113.491 -12.834 -2.309 1.00 0.00 C ATOM 491 O SER A 31 114.105 -13.695 -2.909 1.00 0.00 O ATOM 492 CB SER A 31 113.430 -12.801 0.207 1.00 0.00 C ATOM 493 OG SER A 31 112.015 -12.782 0.071 1.00 0.00 O ATOM 0 H SER A 31 113.141 -10.448 -0.209 1.00 0.00 H new ATOM 0 HA SER A 31 115.147 -12.355 -1.069 1.00 0.00 H new ATOM 0 HB2 SER A 31 113.779 -13.824 0.344 1.00 0.00 H new ATOM 0 HB3 SER A 31 113.729 -12.241 1.093 1.00 0.00 H new ATOM 0 HG SER A 31 111.725 -11.888 -0.206 1.00 0.00 H new ATOM 499 N ASN A 32 112.314 -12.419 -2.714 1.00 0.00 N ATOM 500 CA ASN A 32 111.686 -13.002 -3.944 1.00 0.00 C ATOM 501 C ASN A 32 111.336 -11.907 -4.966 1.00 0.00 C ATOM 502 O ASN A 32 110.819 -12.197 -6.029 1.00 0.00 O ATOM 503 CB ASN A 32 110.411 -13.688 -3.446 1.00 0.00 C ATOM 504 CG ASN A 32 110.781 -14.881 -2.559 1.00 0.00 C ATOM 505 OD1 ASN A 32 111.747 -15.571 -2.818 1.00 0.00 O ATOM 506 ND2 ASN A 32 110.046 -15.153 -1.515 1.00 0.00 N ATOM 0 H ASN A 32 111.760 -11.701 -2.246 1.00 0.00 H new ATOM 0 HA ASN A 32 112.362 -13.690 -4.451 1.00 0.00 H new ATOM 0 HB2 ASN A 32 109.801 -12.980 -2.885 1.00 0.00 H new ATOM 0 HB3 ASN A 32 109.812 -14.024 -4.293 1.00 0.00 H new ATOM 0 HD21 ASN A 32 110.283 -15.945 -0.917 1.00 0.00 H new ATOM 0 HD22 ASN A 32 109.235 -14.574 -1.297 1.00 0.00 H new ATOM 513 N SER A 33 111.613 -10.651 -4.660 1.00 0.00 N ATOM 514 CA SER A 33 111.258 -9.520 -5.590 1.00 0.00 C ATOM 515 C SER A 33 109.783 -9.604 -6.017 1.00 0.00 C ATOM 516 O SER A 33 109.469 -9.840 -7.171 1.00 0.00 O ATOM 517 CB SER A 33 112.193 -9.676 -6.794 1.00 0.00 C ATOM 518 OG SER A 33 113.387 -8.940 -6.560 1.00 0.00 O ATOM 0 H SER A 33 112.074 -10.361 -3.797 1.00 0.00 H new ATOM 0 HA SER A 33 111.379 -8.548 -5.112 1.00 0.00 H new ATOM 0 HB2 SER A 33 112.426 -10.729 -6.954 1.00 0.00 H new ATOM 0 HB3 SER A 33 111.702 -9.317 -7.699 1.00 0.00 H new ATOM 0 HG SER A 33 113.988 -9.039 -7.328 1.00 0.00 H new ATOM 524 N ILE A 34 108.881 -9.409 -5.085 1.00 0.00 N ATOM 525 CA ILE A 34 107.421 -9.482 -5.415 1.00 0.00 C ATOM 526 C ILE A 34 106.748 -8.142 -5.091 1.00 0.00 C ATOM 527 O ILE A 34 107.011 -7.540 -4.067 1.00 0.00 O ATOM 528 CB ILE A 34 106.850 -10.607 -4.531 1.00 0.00 C ATOM 529 CG1 ILE A 34 107.646 -11.917 -4.731 1.00 0.00 C ATOM 530 CG2 ILE A 34 105.377 -10.845 -4.885 1.00 0.00 C ATOM 531 CD1 ILE A 34 107.598 -12.387 -6.197 1.00 0.00 C ATOM 0 H ILE A 34 109.092 -9.202 -4.109 1.00 0.00 H new ATOM 0 HA ILE A 34 107.248 -9.684 -6.472 1.00 0.00 H new ATOM 0 HB ILE A 34 106.934 -10.303 -3.488 1.00 0.00 H new ATOM 0 HG12 ILE A 34 108.682 -11.764 -4.430 1.00 0.00 H new ATOM 0 HG13 ILE A 34 107.238 -12.694 -4.085 1.00 0.00 H new ATOM 0 HG21 ILE A 34 104.976 -11.641 -4.258 1.00 0.00 H new ATOM 0 HG22 ILE A 34 104.810 -9.930 -4.716 1.00 0.00 H new ATOM 0 HG23 ILE A 34 105.297 -11.133 -5.933 1.00 0.00 H new ATOM 0 HD11 ILE A 34 108.168 -13.310 -6.302 1.00 0.00 H new ATOM 0 HD12 ILE A 34 106.563 -12.564 -6.489 1.00 0.00 H new ATOM 0 HD13 ILE A 34 108.030 -11.619 -6.839 1.00 0.00 H new ATOM 543 N LEU A 35 105.882 -7.677 -5.961 1.00 0.00 N ATOM 544 CA LEU A 35 105.246 -6.337 -5.764 1.00 0.00 C ATOM 545 C LEU A 35 103.721 -6.467 -5.775 1.00 0.00 C ATOM 546 O LEU A 35 103.144 -7.001 -6.705 1.00 0.00 O ATOM 547 CB LEU A 35 105.724 -5.505 -6.956 1.00 0.00 C ATOM 548 CG LEU A 35 105.262 -4.054 -6.800 1.00 0.00 C ATOM 549 CD1 LEU A 35 106.251 -3.292 -5.916 1.00 0.00 C ATOM 550 CD2 LEU A 35 105.196 -3.391 -8.178 1.00 0.00 C ATOM 0 H LEU A 35 105.588 -8.172 -6.803 1.00 0.00 H new ATOM 0 HA LEU A 35 105.515 -5.883 -4.810 1.00 0.00 H new ATOM 0 HB2 LEU A 35 106.811 -5.544 -7.025 1.00 0.00 H new ATOM 0 HB3 LEU A 35 105.331 -5.923 -7.883 1.00 0.00 H new ATOM 0 HG LEU A 35 104.275 -4.036 -6.337 1.00 0.00 H new ATOM 0 HD11 LEU A 35 105.920 -2.259 -5.806 1.00 0.00 H new ATOM 0 HD12 LEU A 35 106.300 -3.764 -4.934 1.00 0.00 H new ATOM 0 HD13 LEU A 35 107.239 -3.310 -6.376 1.00 0.00 H new ATOM 0 HD21 LEU A 35 104.867 -2.358 -8.069 1.00 0.00 H new ATOM 0 HD22 LEU A 35 106.183 -3.411 -8.639 1.00 0.00 H new ATOM 0 HD23 LEU A 35 104.490 -3.932 -8.809 1.00 0.00 H new ATOM 562 N GLN A 36 103.071 -5.982 -4.747 1.00 0.00 N ATOM 563 CA GLN A 36 101.579 -5.966 -4.735 1.00 0.00 C ATOM 564 C GLN A 36 101.071 -4.562 -5.066 1.00 0.00 C ATOM 565 O GLN A 36 101.490 -3.587 -4.467 1.00 0.00 O ATOM 566 CB GLN A 36 101.184 -6.359 -3.312 1.00 0.00 C ATOM 567 CG GLN A 36 101.444 -7.852 -3.104 1.00 0.00 C ATOM 568 CD GLN A 36 101.060 -8.245 -1.676 1.00 0.00 C ATOM 569 OE1 GLN A 36 100.089 -7.753 -1.137 1.00 0.00 O ATOM 570 NE2 GLN A 36 101.788 -9.119 -1.036 1.00 0.00 N ATOM 0 H GLN A 36 103.513 -5.595 -3.913 1.00 0.00 H new ATOM 0 HA GLN A 36 101.152 -6.645 -5.473 1.00 0.00 H new ATOM 0 HB2 GLN A 36 101.756 -5.776 -2.590 1.00 0.00 H new ATOM 0 HB3 GLN A 36 100.131 -6.135 -3.141 1.00 0.00 H new ATOM 0 HG2 GLN A 36 100.866 -8.436 -3.821 1.00 0.00 H new ATOM 0 HG3 GLN A 36 102.495 -8.077 -3.284 1.00 0.00 H new ATOM 0 HE21 GLN A 36 102.603 -9.532 -1.488 1.00 0.00 H new ATOM 0 HE22 GLN A 36 101.541 -9.389 -0.084 1.00 0.00 H new ATOM 579 N LEU A 37 100.173 -4.459 -6.015 1.00 0.00 N ATOM 580 CA LEU A 37 99.590 -3.131 -6.368 1.00 0.00 C ATOM 581 C LEU A 37 98.120 -3.076 -5.951 1.00 0.00 C ATOM 582 O LEU A 37 97.309 -3.862 -6.405 1.00 0.00 O ATOM 583 CB LEU A 37 99.713 -3.031 -7.891 1.00 0.00 C ATOM 584 CG LEU A 37 101.125 -2.583 -8.270 1.00 0.00 C ATOM 585 CD1 LEU A 37 101.378 -2.889 -9.747 1.00 0.00 C ATOM 586 CD2 LEU A 37 101.261 -1.076 -8.035 1.00 0.00 C ATOM 0 H LEU A 37 99.818 -5.243 -6.562 1.00 0.00 H new ATOM 0 HA LEU A 37 100.100 -2.311 -5.863 1.00 0.00 H new ATOM 0 HB2 LEU A 37 99.494 -3.997 -8.347 1.00 0.00 H new ATOM 0 HB3 LEU A 37 98.981 -2.322 -8.278 1.00 0.00 H new ATOM 0 HG LEU A 37 101.852 -3.116 -7.657 1.00 0.00 H new ATOM 0 HD11 LEU A 37 102.384 -2.570 -10.018 1.00 0.00 H new ATOM 0 HD12 LEU A 37 101.279 -3.961 -9.919 1.00 0.00 H new ATOM 0 HD13 LEU A 37 100.651 -2.355 -10.359 1.00 0.00 H new ATOM 0 HD21 LEU A 37 102.267 -0.755 -8.305 1.00 0.00 H new ATOM 0 HD22 LEU A 37 100.534 -0.545 -8.649 1.00 0.00 H new ATOM 0 HD23 LEU A 37 101.079 -0.854 -6.984 1.00 0.00 H new ATOM 598 N ARG A 38 97.773 -2.153 -5.088 1.00 0.00 N ATOM 599 CA ARG A 38 96.336 -1.975 -4.712 1.00 0.00 C ATOM 600 C ARG A 38 95.712 -0.857 -5.551 1.00 0.00 C ATOM 601 O ARG A 38 96.208 0.254 -5.587 1.00 0.00 O ATOM 602 CB ARG A 38 96.339 -1.595 -3.231 1.00 0.00 C ATOM 603 CG ARG A 38 96.438 -2.862 -2.379 1.00 0.00 C ATOM 604 CD ARG A 38 95.967 -2.557 -0.953 1.00 0.00 C ATOM 605 NE ARG A 38 96.406 -3.733 -0.138 1.00 0.00 N ATOM 606 CZ ARG A 38 95.760 -4.883 -0.180 1.00 0.00 C ATOM 607 NH1 ARG A 38 94.708 -5.057 -0.947 1.00 0.00 N ATOM 608 NH2 ARG A 38 96.180 -5.875 0.558 1.00 0.00 N ATOM 0 H ARG A 38 98.423 -1.515 -4.628 1.00 0.00 H new ATOM 0 HA ARG A 38 95.753 -2.879 -4.890 1.00 0.00 H new ATOM 0 HB2 ARG A 38 97.178 -0.933 -3.016 1.00 0.00 H new ATOM 0 HB3 ARG A 38 95.430 -1.048 -2.983 1.00 0.00 H new ATOM 0 HG2 ARG A 38 95.828 -3.654 -2.813 1.00 0.00 H new ATOM 0 HG3 ARG A 38 97.466 -3.224 -2.364 1.00 0.00 H new ATOM 0 HD2 ARG A 38 96.409 -1.633 -0.581 1.00 0.00 H new ATOM 0 HD3 ARG A 38 94.885 -2.432 -0.913 1.00 0.00 H new ATOM 0 HE ARG A 38 97.224 -3.643 0.464 1.00 0.00 H new ATOM 0 HH11 ARG A 38 94.370 -4.292 -1.531 1.00 0.00 H new ATOM 0 HH12 ARG A 38 94.229 -5.957 -0.959 1.00 0.00 H new ATOM 0 HH21 ARG A 38 96.997 -5.755 1.156 1.00 0.00 H new ATOM 0 HH22 ARG A 38 95.691 -6.770 0.536 1.00 0.00 H new ATOM 622 N LEU A 39 94.626 -1.149 -6.224 1.00 0.00 N ATOM 623 CA LEU A 39 94.022 -0.152 -7.158 1.00 0.00 C ATOM 624 C LEU A 39 92.801 0.520 -6.521 1.00 0.00 C ATOM 625 O LEU A 39 92.086 -0.080 -5.735 1.00 0.00 O ATOM 626 CB LEU A 39 93.622 -0.969 -8.392 1.00 0.00 C ATOM 627 CG LEU A 39 93.245 -0.041 -9.558 1.00 0.00 C ATOM 628 CD1 LEU A 39 94.429 0.858 -9.927 1.00 0.00 C ATOM 629 CD2 LEU A 39 92.885 -0.895 -10.771 1.00 0.00 C ATOM 0 H LEU A 39 94.131 -2.039 -6.165 1.00 0.00 H new ATOM 0 HA LEU A 39 94.713 0.653 -7.408 1.00 0.00 H new ATOM 0 HB2 LEU A 39 94.447 -1.617 -8.688 1.00 0.00 H new ATOM 0 HB3 LEU A 39 92.779 -1.616 -8.149 1.00 0.00 H new ATOM 0 HG LEU A 39 92.401 0.581 -9.259 1.00 0.00 H new ATOM 0 HD11 LEU A 39 94.147 1.510 -10.754 1.00 0.00 H new ATOM 0 HD12 LEU A 39 94.707 1.465 -9.065 1.00 0.00 H new ATOM 0 HD13 LEU A 39 95.276 0.240 -10.224 1.00 0.00 H new ATOM 0 HD21 LEU A 39 92.616 -0.247 -11.605 1.00 0.00 H new ATOM 0 HD22 LEU A 39 93.741 -1.509 -11.050 1.00 0.00 H new ATOM 0 HD23 LEU A 39 92.041 -1.539 -10.525 1.00 0.00 H new ATOM 641 N ALA A 40 92.560 1.765 -6.865 1.00 0.00 N ATOM 642 CA ALA A 40 91.470 2.555 -6.199 1.00 0.00 C ATOM 643 C ALA A 40 90.080 1.953 -6.467 1.00 0.00 C ATOM 644 O ALA A 40 89.106 2.359 -5.859 1.00 0.00 O ATOM 645 CB ALA A 40 91.561 3.958 -6.805 1.00 0.00 C ATOM 0 H ALA A 40 93.076 2.272 -7.584 1.00 0.00 H new ATOM 0 HA ALA A 40 91.597 2.556 -5.116 1.00 0.00 H new ATOM 0 HB1 ALA A 40 90.793 4.595 -6.366 1.00 0.00 H new ATOM 0 HB2 ALA A 40 92.544 4.380 -6.598 1.00 0.00 H new ATOM 0 HB3 ALA A 40 91.411 3.899 -7.883 1.00 0.00 H new ATOM 651 N ASN A 41 89.973 0.995 -7.361 1.00 0.00 N ATOM 652 CA ASN A 41 88.654 0.322 -7.598 1.00 0.00 C ATOM 653 C ASN A 41 88.444 -0.845 -6.613 1.00 0.00 C ATOM 654 O ASN A 41 87.791 -1.819 -6.942 1.00 0.00 O ATOM 655 CB ASN A 41 88.734 -0.205 -9.033 1.00 0.00 C ATOM 656 CG ASN A 41 87.352 -0.688 -9.479 1.00 0.00 C ATOM 657 OD1 ASN A 41 87.107 -1.877 -9.559 1.00 0.00 O ATOM 658 ND2 ASN A 41 86.431 0.188 -9.774 1.00 0.00 N ATOM 0 H ASN A 41 90.742 0.651 -7.936 1.00 0.00 H new ATOM 0 HA ASN A 41 87.819 1.007 -7.451 1.00 0.00 H new ATOM 0 HB2 ASN A 41 89.089 0.580 -9.700 1.00 0.00 H new ATOM 0 HB3 ASN A 41 89.453 -1.022 -9.092 1.00 0.00 H new ATOM 0 HD21 ASN A 41 85.507 -0.124 -10.071 1.00 0.00 H new ATOM 0 HD22 ASN A 41 86.635 1.185 -9.707 1.00 0.00 H new ATOM 665 N ASP A 42 88.990 -0.765 -5.406 1.00 0.00 N ATOM 666 CA ASP A 42 88.775 -1.845 -4.381 1.00 0.00 C ATOM 667 C ASP A 42 89.311 -3.189 -4.895 1.00 0.00 C ATOM 668 O ASP A 42 88.835 -4.239 -4.502 1.00 0.00 O ATOM 669 CB ASP A 42 87.258 -1.924 -4.159 1.00 0.00 C ATOM 670 CG ASP A 42 86.972 -2.683 -2.861 1.00 0.00 C ATOM 671 OD1 ASP A 42 87.015 -2.060 -1.813 1.00 0.00 O ATOM 672 OD2 ASP A 42 86.713 -3.872 -2.938 1.00 0.00 O ATOM 0 H ASP A 42 89.577 0.008 -5.092 1.00 0.00 H new ATOM 0 HA ASP A 42 89.303 -1.623 -3.454 1.00 0.00 H new ATOM 0 HB2 ASP A 42 86.834 -0.921 -4.107 1.00 0.00 H new ATOM 0 HB3 ASP A 42 86.782 -2.428 -5.000 1.00 0.00 H new ATOM 677 N SER A 43 90.299 -3.166 -5.768 1.00 0.00 N ATOM 678 CA SER A 43 90.881 -4.445 -6.280 1.00 0.00 C ATOM 679 C SER A 43 92.370 -4.521 -5.937 1.00 0.00 C ATOM 680 O SER A 43 93.074 -3.529 -5.980 1.00 0.00 O ATOM 681 CB SER A 43 90.678 -4.395 -7.793 1.00 0.00 C ATOM 682 OG SER A 43 89.286 -4.345 -8.079 1.00 0.00 O ATOM 0 H SER A 43 90.722 -2.317 -6.143 1.00 0.00 H new ATOM 0 HA SER A 43 90.409 -5.322 -5.836 1.00 0.00 H new ATOM 0 HB2 SER A 43 91.178 -3.521 -8.210 1.00 0.00 H new ATOM 0 HB3 SER A 43 91.126 -5.272 -8.261 1.00 0.00 H new ATOM 0 HG SER A 43 88.933 -3.465 -7.832 1.00 0.00 H new ATOM 688 N THR A 44 92.851 -5.692 -5.597 1.00 0.00 N ATOM 689 CA THR A 44 94.297 -5.849 -5.247 1.00 0.00 C ATOM 690 C THR A 44 94.920 -6.985 -6.067 1.00 0.00 C ATOM 691 O THR A 44 94.277 -7.981 -6.346 1.00 0.00 O ATOM 692 CB THR A 44 94.318 -6.172 -3.742 1.00 0.00 C ATOM 693 OG1 THR A 44 95.665 -6.319 -3.312 1.00 0.00 O ATOM 694 CG2 THR A 44 93.546 -7.468 -3.458 1.00 0.00 C ATOM 0 H THR A 44 92.301 -6.550 -5.547 1.00 0.00 H new ATOM 0 HA THR A 44 94.876 -4.953 -5.468 1.00 0.00 H new ATOM 0 HB THR A 44 93.841 -5.356 -3.200 1.00 0.00 H new ATOM 0 HG1 THR A 44 95.703 -6.952 -2.565 1.00 0.00 H new ATOM 0 HG21 THR A 44 93.572 -7.680 -2.389 1.00 0.00 H new ATOM 0 HG22 THR A 44 92.511 -7.353 -3.780 1.00 0.00 H new ATOM 0 HG23 THR A 44 94.006 -8.292 -4.003 1.00 0.00 H new ATOM 702 N LYS A 45 96.164 -6.838 -6.452 1.00 0.00 N ATOM 703 CA LYS A 45 96.823 -7.884 -7.291 1.00 0.00 C ATOM 704 C LYS A 45 98.298 -8.022 -6.904 1.00 0.00 C ATOM 705 O LYS A 45 99.008 -7.041 -6.779 1.00 0.00 O ATOM 706 CB LYS A 45 96.686 -7.379 -8.728 1.00 0.00 C ATOM 707 CG LYS A 45 97.132 -8.473 -9.701 1.00 0.00 C ATOM 708 CD LYS A 45 97.001 -7.963 -11.137 1.00 0.00 C ATOM 709 CE LYS A 45 97.360 -9.086 -12.113 1.00 0.00 C ATOM 710 NZ LYS A 45 96.111 -9.884 -12.255 1.00 0.00 N ATOM 0 H LYS A 45 96.752 -6.037 -6.220 1.00 0.00 H new ATOM 0 HA LYS A 45 96.371 -8.867 -7.160 1.00 0.00 H new ATOM 0 HB2 LYS A 45 95.652 -7.099 -8.929 1.00 0.00 H new ATOM 0 HB3 LYS A 45 97.292 -6.484 -8.869 1.00 0.00 H new ATOM 0 HG2 LYS A 45 98.165 -8.757 -9.497 1.00 0.00 H new ATOM 0 HG3 LYS A 45 96.523 -9.367 -9.564 1.00 0.00 H new ATOM 0 HD2 LYS A 45 95.983 -7.619 -11.320 1.00 0.00 H new ATOM 0 HD3 LYS A 45 97.659 -7.108 -11.292 1.00 0.00 H new ATOM 0 HE2 LYS A 45 97.685 -8.686 -13.074 1.00 0.00 H new ATOM 0 HE3 LYS A 45 98.177 -9.697 -11.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 96.348 -10.896 -12.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 95.492 -9.708 -11.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 95.619 -9.606 -13.128 1.00 0.00 H new ATOM 724 N SER A 46 98.760 -9.235 -6.716 1.00 0.00 N ATOM 725 CA SER A 46 100.202 -9.456 -6.399 1.00 0.00 C ATOM 726 C SER A 46 100.944 -9.935 -7.650 1.00 0.00 C ATOM 727 O SER A 46 100.612 -10.957 -8.221 1.00 0.00 O ATOM 728 CB SER A 46 100.210 -10.538 -5.321 1.00 0.00 C ATOM 729 OG SER A 46 99.750 -11.762 -5.879 1.00 0.00 O ATOM 0 H SER A 46 98.196 -10.083 -6.769 1.00 0.00 H new ATOM 0 HA SER A 46 100.698 -8.546 -6.062 1.00 0.00 H new ATOM 0 HB2 SER A 46 101.217 -10.663 -4.922 1.00 0.00 H new ATOM 0 HB3 SER A 46 99.572 -10.242 -4.488 1.00 0.00 H new ATOM 0 HG SER A 46 99.717 -11.685 -6.855 1.00 0.00 H new ATOM 735 N ILE A 47 101.946 -9.203 -8.075 1.00 0.00 N ATOM 736 CA ILE A 47 102.697 -9.590 -9.309 1.00 0.00 C ATOM 737 C ILE A 47 104.198 -9.599 -9.007 1.00 0.00 C ATOM 738 O ILE A 47 104.710 -8.707 -8.354 1.00 0.00 O ATOM 739 CB ILE A 47 102.353 -8.514 -10.356 1.00 0.00 C ATOM 740 CG1 ILE A 47 100.836 -8.486 -10.598 1.00 0.00 C ATOM 741 CG2 ILE A 47 103.060 -8.831 -11.680 1.00 0.00 C ATOM 742 CD1 ILE A 47 100.463 -7.236 -11.400 1.00 0.00 C ATOM 0 H ILE A 47 102.276 -8.353 -7.619 1.00 0.00 H new ATOM 0 HA ILE A 47 102.431 -10.584 -9.667 1.00 0.00 H new ATOM 0 HB ILE A 47 102.684 -7.545 -9.984 1.00 0.00 H new ATOM 0 HG12 ILE A 47 100.528 -9.381 -11.138 1.00 0.00 H new ATOM 0 HG13 ILE A 47 100.306 -8.490 -9.645 1.00 0.00 H new ATOM 0 HG21 ILE A 47 102.813 -8.067 -12.417 1.00 0.00 H new ATOM 0 HG22 ILE A 47 104.138 -8.847 -11.522 1.00 0.00 H new ATOM 0 HG23 ILE A 47 102.732 -9.805 -12.044 1.00 0.00 H new ATOM 0 HD11 ILE A 47 99.386 -7.220 -11.569 1.00 0.00 H new ATOM 0 HD12 ILE A 47 100.756 -6.346 -10.843 1.00 0.00 H new ATOM 0 HD13 ILE A 47 100.981 -7.251 -12.359 1.00 0.00 H new ATOM 754 N VAL A 48 104.902 -10.598 -9.478 1.00 0.00 N ATOM 755 CA VAL A 48 106.381 -10.644 -9.255 1.00 0.00 C ATOM 756 C VAL A 48 107.069 -9.686 -10.233 1.00 0.00 C ATOM 757 O VAL A 48 106.740 -9.639 -11.401 1.00 0.00 O ATOM 758 CB VAL A 48 106.810 -12.099 -9.517 1.00 0.00 C ATOM 759 CG1 VAL A 48 108.298 -12.267 -9.176 1.00 0.00 C ATOM 760 CG2 VAL A 48 105.967 -13.068 -8.666 1.00 0.00 C ATOM 0 H VAL A 48 104.518 -11.382 -10.006 1.00 0.00 H new ATOM 0 HA VAL A 48 106.656 -10.339 -8.245 1.00 0.00 H new ATOM 0 HB VAL A 48 106.650 -12.330 -10.570 1.00 0.00 H new ATOM 0 HG11 VAL A 48 108.600 -13.298 -9.362 1.00 0.00 H new ATOM 0 HG12 VAL A 48 108.892 -11.597 -9.798 1.00 0.00 H new ATOM 0 HG13 VAL A 48 108.460 -12.026 -8.125 1.00 0.00 H new ATOM 0 HG21 VAL A 48 106.282 -14.093 -8.862 1.00 0.00 H new ATOM 0 HG22 VAL A 48 106.108 -12.841 -7.609 1.00 0.00 H new ATOM 0 HG23 VAL A 48 104.914 -12.957 -8.924 1.00 0.00 H new ATOM 770 N THR A 49 108.021 -8.925 -9.758 1.00 0.00 N ATOM 771 CA THR A 49 108.627 -7.843 -10.605 1.00 0.00 C ATOM 772 C THR A 49 109.343 -8.427 -11.829 1.00 0.00 C ATOM 773 O THR A 49 109.504 -7.755 -12.831 1.00 0.00 O ATOM 774 CB THR A 49 109.624 -7.112 -9.700 1.00 0.00 C ATOM 775 OG1 THR A 49 110.575 -8.040 -9.200 1.00 0.00 O ATOM 776 CG2 THR A 49 108.883 -6.455 -8.532 1.00 0.00 C ATOM 0 H THR A 49 108.409 -9.003 -8.818 1.00 0.00 H new ATOM 0 HA THR A 49 107.859 -7.172 -10.989 1.00 0.00 H new ATOM 0 HB THR A 49 110.135 -6.341 -10.276 1.00 0.00 H new ATOM 0 HG1 THR A 49 110.160 -8.591 -8.504 1.00 0.00 H new ATOM 0 HG21 THR A 49 109.598 -5.937 -7.893 1.00 0.00 H new ATOM 0 HG22 THR A 49 108.157 -5.740 -8.918 1.00 0.00 H new ATOM 0 HG23 THR A 49 108.366 -7.220 -7.953 1.00 0.00 H new ATOM 784 N LYS A 50 109.774 -9.663 -11.761 1.00 0.00 N ATOM 785 CA LYS A 50 110.572 -10.251 -12.892 1.00 0.00 C ATOM 786 C LYS A 50 109.778 -10.199 -14.204 1.00 0.00 C ATOM 787 O LYS A 50 110.352 -10.189 -15.277 1.00 0.00 O ATOM 788 CB LYS A 50 110.849 -11.710 -12.494 1.00 0.00 C ATOM 789 CG LYS A 50 111.716 -11.768 -11.227 1.00 0.00 C ATOM 790 CD LYS A 50 111.838 -13.222 -10.761 1.00 0.00 C ATOM 791 CE LYS A 50 112.573 -13.267 -9.420 1.00 0.00 C ATOM 792 NZ LYS A 50 113.093 -14.659 -9.314 1.00 0.00 N ATOM 0 H LYS A 50 109.610 -10.292 -10.975 1.00 0.00 H new ATOM 0 HA LYS A 50 111.494 -9.694 -13.058 1.00 0.00 H new ATOM 0 HB2 LYS A 50 109.907 -12.231 -12.321 1.00 0.00 H new ATOM 0 HB3 LYS A 50 111.354 -12.226 -13.311 1.00 0.00 H new ATOM 0 HG2 LYS A 50 112.704 -11.355 -11.430 1.00 0.00 H new ATOM 0 HG3 LYS A 50 111.271 -11.158 -10.440 1.00 0.00 H new ATOM 0 HD2 LYS A 50 110.848 -13.667 -10.661 1.00 0.00 H new ATOM 0 HD3 LYS A 50 112.378 -13.809 -11.504 1.00 0.00 H new ATOM 0 HE2 LYS A 50 113.384 -12.539 -9.389 1.00 0.00 H new ATOM 0 HE3 LYS A 50 111.902 -13.032 -8.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 113.610 -14.769 -8.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 112.298 -15.329 -9.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 113.734 -14.852 -10.110 1.00 0.00 H new ATOM 806 N ASP A 51 108.469 -10.167 -14.127 1.00 0.00 N ATOM 807 CA ASP A 51 107.651 -10.019 -15.374 1.00 0.00 C ATOM 808 C ASP A 51 107.435 -8.536 -15.732 1.00 0.00 C ATOM 809 O ASP A 51 106.645 -8.221 -16.604 1.00 0.00 O ATOM 810 CB ASP A 51 106.313 -10.726 -15.094 1.00 0.00 C ATOM 811 CG ASP A 51 105.596 -10.102 -13.888 1.00 0.00 C ATOM 812 OD1 ASP A 51 105.457 -8.890 -13.859 1.00 0.00 O ATOM 813 OD2 ASP A 51 105.193 -10.852 -13.014 1.00 0.00 O ATOM 0 H ASP A 51 107.934 -10.236 -13.261 1.00 0.00 H new ATOM 0 HA ASP A 51 108.159 -10.462 -16.230 1.00 0.00 H new ATOM 0 HB2 ASP A 51 105.673 -10.661 -15.974 1.00 0.00 H new ATOM 0 HB3 ASP A 51 106.491 -11.785 -14.907 1.00 0.00 H new ATOM 818 N ILE A 52 108.122 -7.625 -15.072 1.00 0.00 N ATOM 819 CA ILE A 52 108.036 -6.181 -15.473 1.00 0.00 C ATOM 820 C ILE A 52 108.851 -5.948 -16.750 1.00 0.00 C ATOM 821 O ILE A 52 110.064 -6.053 -16.749 1.00 0.00 O ATOM 822 CB ILE A 52 108.624 -5.384 -14.293 1.00 0.00 C ATOM 823 CG1 ILE A 52 107.705 -5.537 -13.071 1.00 0.00 C ATOM 824 CG2 ILE A 52 108.749 -3.896 -14.674 1.00 0.00 C ATOM 825 CD1 ILE A 52 108.348 -4.874 -11.845 1.00 0.00 C ATOM 0 H ILE A 52 108.734 -7.819 -14.279 1.00 0.00 H new ATOM 0 HA ILE A 52 107.012 -5.872 -15.684 1.00 0.00 H new ATOM 0 HB ILE A 52 109.615 -5.769 -14.053 1.00 0.00 H new ATOM 0 HG12 ILE A 52 106.736 -5.081 -13.275 1.00 0.00 H new ATOM 0 HG13 ILE A 52 107.525 -6.593 -12.871 1.00 0.00 H new ATOM 0 HG21 ILE A 52 109.165 -3.339 -13.835 1.00 0.00 H new ATOM 0 HG22 ILE A 52 109.406 -3.796 -15.538 1.00 0.00 H new ATOM 0 HG23 ILE A 52 107.764 -3.499 -14.920 1.00 0.00 H new ATOM 0 HD11 ILE A 52 107.690 -4.987 -10.983 1.00 0.00 H new ATOM 0 HD12 ILE A 52 109.306 -5.349 -11.635 1.00 0.00 H new ATOM 0 HD13 ILE A 52 108.505 -3.814 -12.045 1.00 0.00 H new ATOM 837 N LYS A 53 108.186 -5.633 -17.834 1.00 0.00 N ATOM 838 CA LYS A 53 108.919 -5.196 -19.062 1.00 0.00 C ATOM 839 C LYS A 53 109.301 -3.719 -18.949 1.00 0.00 C ATOM 840 O LYS A 53 110.387 -3.322 -19.331 1.00 0.00 O ATOM 841 CB LYS A 53 107.945 -5.406 -20.221 1.00 0.00 C ATOM 842 CG LYS A 53 108.665 -5.175 -21.551 1.00 0.00 C ATOM 843 CD LYS A 53 107.672 -5.332 -22.704 1.00 0.00 C ATOM 844 CE LYS A 53 108.426 -5.289 -24.036 1.00 0.00 C ATOM 845 NZ LYS A 53 108.945 -6.671 -24.228 1.00 0.00 N ATOM 0 H LYS A 53 107.170 -5.659 -17.922 1.00 0.00 H new ATOM 0 HA LYS A 53 109.841 -5.759 -19.206 1.00 0.00 H new ATOM 0 HB2 LYS A 53 107.538 -6.417 -20.188 1.00 0.00 H new ATOM 0 HB3 LYS A 53 107.103 -4.720 -20.129 1.00 0.00 H new ATOM 0 HG2 LYS A 53 109.105 -4.178 -21.570 1.00 0.00 H new ATOM 0 HG3 LYS A 53 109.483 -5.887 -21.662 1.00 0.00 H new ATOM 0 HD2 LYS A 53 107.134 -6.275 -22.609 1.00 0.00 H new ATOM 0 HD3 LYS A 53 106.928 -4.536 -22.669 1.00 0.00 H new ATOM 0 HE2 LYS A 53 107.767 -4.998 -24.854 1.00 0.00 H new ATOM 0 HE3 LYS A 53 109.238 -4.563 -24.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 109.920 -6.629 -24.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 108.932 -7.176 -23.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 108.346 -7.175 -24.913 1.00 0.00 H new ATOM 859 N ASP A 54 108.415 -2.905 -18.424 1.00 0.00 N ATOM 860 CA ASP A 54 108.673 -1.424 -18.407 1.00 0.00 C ATOM 861 C ASP A 54 107.945 -0.757 -17.237 1.00 0.00 C ATOM 862 O ASP A 54 106.843 -1.132 -16.891 1.00 0.00 O ATOM 863 CB ASP A 54 108.124 -0.901 -19.735 1.00 0.00 C ATOM 864 CG ASP A 54 109.009 -1.380 -20.887 1.00 0.00 C ATOM 865 OD1 ASP A 54 110.217 -1.234 -20.781 1.00 0.00 O ATOM 866 OD2 ASP A 54 108.467 -1.886 -21.856 1.00 0.00 O ATOM 0 H ASP A 54 107.530 -3.197 -18.009 1.00 0.00 H new ATOM 0 HA ASP A 54 109.734 -1.205 -18.285 1.00 0.00 H new ATOM 0 HB2 ASP A 54 107.102 -1.251 -19.880 1.00 0.00 H new ATOM 0 HB3 ASP A 54 108.088 0.188 -19.720 1.00 0.00 H new ATOM 871 N LEU A 55 108.558 0.236 -16.635 1.00 0.00 N ATOM 872 CA LEU A 55 107.934 0.917 -15.456 1.00 0.00 C ATOM 873 C LEU A 55 107.763 2.417 -15.725 1.00 0.00 C ATOM 874 O LEU A 55 108.587 3.036 -16.371 1.00 0.00 O ATOM 875 CB LEU A 55 108.928 0.713 -14.308 1.00 0.00 C ATOM 876 CG LEU A 55 108.881 -0.739 -13.826 1.00 0.00 C ATOM 877 CD1 LEU A 55 110.234 -1.124 -13.225 1.00 0.00 C ATOM 878 CD2 LEU A 55 107.794 -0.889 -12.758 1.00 0.00 C ATOM 0 H LEU A 55 109.468 0.605 -16.912 1.00 0.00 H new ATOM 0 HA LEU A 55 106.946 0.513 -15.235 1.00 0.00 H new ATOM 0 HB2 LEU A 55 109.936 0.962 -14.640 1.00 0.00 H new ATOM 0 HB3 LEU A 55 108.688 1.386 -13.485 1.00 0.00 H new ATOM 0 HG LEU A 55 108.657 -1.391 -14.670 1.00 0.00 H new ATOM 0 HD11 LEU A 55 110.199 -2.158 -12.882 1.00 0.00 H new ATOM 0 HD12 LEU A 55 111.011 -1.019 -13.982 1.00 0.00 H new ATOM 0 HD13 LEU A 55 110.457 -0.470 -12.382 1.00 0.00 H new ATOM 0 HD21 LEU A 55 107.761 -1.923 -12.415 1.00 0.00 H new ATOM 0 HD22 LEU A 55 108.019 -0.235 -11.916 1.00 0.00 H new ATOM 0 HD23 LEU A 55 106.827 -0.616 -13.182 1.00 0.00 H new ATOM 890 N ARG A 56 106.695 3.001 -15.233 1.00 0.00 N ATOM 891 CA ARG A 56 106.575 4.491 -15.248 1.00 0.00 C ATOM 892 C ARG A 56 105.799 4.972 -14.014 1.00 0.00 C ATOM 893 O ARG A 56 105.005 4.242 -13.450 1.00 0.00 O ATOM 894 CB ARG A 56 105.829 4.837 -16.548 1.00 0.00 C ATOM 895 CG ARG A 56 104.375 4.339 -16.503 1.00 0.00 C ATOM 896 CD ARG A 56 103.637 4.824 -17.755 1.00 0.00 C ATOM 897 NE ARG A 56 102.214 5.028 -17.338 1.00 0.00 N ATOM 898 CZ ARG A 56 101.247 5.149 -18.229 1.00 0.00 C ATOM 899 NH1 ARG A 56 101.491 5.107 -19.519 1.00 0.00 N ATOM 900 NH2 ARG A 56 100.019 5.317 -17.819 1.00 0.00 N ATOM 0 H ARG A 56 105.902 2.508 -14.822 1.00 0.00 H new ATOM 0 HA ARG A 56 107.548 4.981 -15.215 1.00 0.00 H new ATOM 0 HB2 ARG A 56 105.842 5.916 -16.702 1.00 0.00 H new ATOM 0 HB3 ARG A 56 106.344 4.388 -17.397 1.00 0.00 H new ATOM 0 HG2 ARG A 56 104.352 3.250 -16.452 1.00 0.00 H new ATOM 0 HG3 ARG A 56 103.878 4.711 -15.607 1.00 0.00 H new ATOM 0 HD2 ARG A 56 104.071 5.751 -18.130 1.00 0.00 H new ATOM 0 HD3 ARG A 56 103.707 4.091 -18.559 1.00 0.00 H new ATOM 0 HE ARG A 56 101.987 5.075 -16.345 1.00 0.00 H new ATOM 0 HH11 ARG A 56 102.446 4.978 -19.853 1.00 0.00 H new ATOM 0 HH12 ARG A 56 100.725 5.203 -20.186 1.00 0.00 H new ATOM 0 HH21 ARG A 56 99.815 5.354 -16.820 1.00 0.00 H new ATOM 0 HH22 ARG A 56 99.263 5.412 -18.497 1.00 0.00 H new ATOM 914 N ILE A 57 106.026 6.194 -13.596 1.00 0.00 N ATOM 915 CA ILE A 57 105.245 6.759 -12.451 1.00 0.00 C ATOM 916 C ILE A 57 104.388 7.932 -12.942 1.00 0.00 C ATOM 917 O ILE A 57 104.877 8.828 -13.605 1.00 0.00 O ATOM 918 CB ILE A 57 106.284 7.237 -11.424 1.00 0.00 C ATOM 919 CG1 ILE A 57 107.217 6.077 -11.035 1.00 0.00 C ATOM 920 CG2 ILE A 57 105.559 7.741 -10.171 1.00 0.00 C ATOM 921 CD1 ILE A 57 108.384 6.609 -10.198 1.00 0.00 C ATOM 0 H ILE A 57 106.719 6.825 -13.999 1.00 0.00 H new ATOM 0 HA ILE A 57 104.572 6.023 -12.012 1.00 0.00 H new ATOM 0 HB ILE A 57 106.876 8.040 -11.863 1.00 0.00 H new ATOM 0 HG12 ILE A 57 106.664 5.327 -10.469 1.00 0.00 H new ATOM 0 HG13 ILE A 57 107.595 5.586 -11.932 1.00 0.00 H new ATOM 0 HG21 ILE A 57 106.291 8.081 -9.439 1.00 0.00 H new ATOM 0 HG22 ILE A 57 104.902 8.569 -10.439 1.00 0.00 H new ATOM 0 HG23 ILE A 57 104.967 6.932 -9.743 1.00 0.00 H new ATOM 0 HD11 ILE A 57 109.042 5.784 -9.925 1.00 0.00 H new ATOM 0 HD12 ILE A 57 108.944 7.342 -10.779 1.00 0.00 H new ATOM 0 HD13 ILE A 57 107.998 7.080 -9.294 1.00 0.00 H new ATOM 933 N LEU A 58 103.116 7.929 -12.620 1.00 0.00 N ATOM 934 CA LEU A 58 102.211 9.023 -13.101 1.00 0.00 C ATOM 935 C LEU A 58 102.389 10.273 -12.223 1.00 0.00 C ATOM 936 O LEU A 58 102.670 10.151 -11.046 1.00 0.00 O ATOM 937 CB LEU A 58 100.782 8.479 -12.965 1.00 0.00 C ATOM 938 CG LEU A 58 100.619 7.195 -13.787 1.00 0.00 C ATOM 939 CD1 LEU A 58 99.310 6.503 -13.399 1.00 0.00 C ATOM 940 CD2 LEU A 58 100.594 7.530 -15.280 1.00 0.00 C ATOM 0 H LEU A 58 102.665 7.217 -12.045 1.00 0.00 H new ATOM 0 HA LEU A 58 102.433 9.308 -14.130 1.00 0.00 H new ATOM 0 HB2 LEU A 58 100.561 8.278 -11.917 1.00 0.00 H new ATOM 0 HB3 LEU A 58 100.067 9.229 -13.304 1.00 0.00 H new ATOM 0 HG LEU A 58 101.459 6.531 -13.583 1.00 0.00 H new ATOM 0 HD11 LEU A 58 99.194 5.590 -13.983 1.00 0.00 H new ATOM 0 HD12 LEU A 58 99.330 6.255 -12.338 1.00 0.00 H new ATOM 0 HD13 LEU A 58 98.472 7.171 -13.599 1.00 0.00 H new ATOM 0 HD21 LEU A 58 100.478 6.612 -15.857 1.00 0.00 H new ATOM 0 HD22 LEU A 58 99.759 8.198 -15.489 1.00 0.00 H new ATOM 0 HD23 LEU A 58 101.528 8.018 -15.559 1.00 0.00 H new