USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=11 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 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 36 GLN :FLIP amide:sc= 0 X(o=-0.34,f=0) USER MOD Set 2.1: A 17 ASN : amide:sc= 0.0644 K(o=0.78,f=-7.9!) USER MOD Set 2.2: A 19 SER OG : rot -79:sc= 0.718 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -4.52! C(o=-4.5!,f=-5.3!) USER MOD Single : A 16 ASN : amide:sc= -1.22 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 -65:sc= 0.811 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 93:sc= 0.0653 USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.0517 X(o=-0.052,f=-0.0029) USER MOD Single : A 43 SER OG : rot 74:sc= 0.236 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 34:sc= 0.913 USER MOD Single : A 49 THR OG1 : rot -67:sc= -0.221 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 151 N GLY A 8 102.648 3.009 -1.463 1.00 0.00 N ATOM 152 CA GLY A 8 101.467 3.922 -1.513 1.00 0.00 C ATOM 153 C GLY A 8 101.563 4.863 -2.727 1.00 0.00 C ATOM 154 O GLY A 8 100.714 5.715 -2.917 1.00 0.00 O ATOM 0 HA2 GLY A 8 100.550 3.336 -1.571 1.00 0.00 H new ATOM 0 HA3 GLY A 8 101.414 4.507 -0.595 1.00 0.00 H new ATOM 158 N SER A 9 102.584 4.723 -3.548 1.00 0.00 N ATOM 159 CA SER A 9 102.701 5.592 -4.761 1.00 0.00 C ATOM 160 C SER A 9 101.939 4.965 -5.931 1.00 0.00 C ATOM 161 O SER A 9 101.875 3.757 -6.060 1.00 0.00 O ATOM 162 CB SER A 9 104.199 5.654 -5.068 1.00 0.00 C ATOM 163 OG SER A 9 104.419 6.556 -6.145 1.00 0.00 O ATOM 0 H SER A 9 103.337 4.045 -3.427 1.00 0.00 H new ATOM 0 HA SER A 9 102.280 6.584 -4.599 1.00 0.00 H new ATOM 0 HB2 SER A 9 104.750 5.981 -4.186 1.00 0.00 H new ATOM 0 HB3 SER A 9 104.571 4.663 -5.327 1.00 0.00 H new ATOM 0 HG SER A 9 105.378 6.600 -6.344 1.00 0.00 H new ATOM 169 N ASN A 10 101.363 5.778 -6.783 1.00 0.00 N ATOM 170 CA ASN A 10 100.645 5.232 -7.977 1.00 0.00 C ATOM 171 C ASN A 10 101.601 5.150 -9.167 1.00 0.00 C ATOM 172 O ASN A 10 102.075 6.155 -9.668 1.00 0.00 O ATOM 173 CB ASN A 10 99.521 6.231 -8.264 1.00 0.00 C ATOM 174 CG ASN A 10 98.504 6.205 -7.122 1.00 0.00 C ATOM 175 OD1 ASN A 10 98.826 6.534 -5.998 1.00 0.00 O ATOM 176 ND2 ASN A 10 97.279 5.824 -7.365 1.00 0.00 N ATOM 0 H ASN A 10 101.359 6.795 -6.703 1.00 0.00 H new ATOM 0 HA ASN A 10 100.258 4.228 -7.802 1.00 0.00 H new ATOM 0 HB2 ASN A 10 99.933 7.234 -8.375 1.00 0.00 H new ATOM 0 HB3 ASN A 10 99.031 5.982 -9.205 1.00 0.00 H new ATOM 0 HD21 ASN A 10 96.592 5.803 -6.611 1.00 0.00 H new ATOM 0 HD22 ASN A 10 97.009 5.548 -8.309 1.00 0.00 H new ATOM 183 N VAL A 11 101.881 3.956 -9.619 1.00 0.00 N ATOM 184 CA VAL A 11 102.775 3.779 -10.803 1.00 0.00 C ATOM 185 C VAL A 11 102.108 2.836 -11.807 1.00 0.00 C ATOM 186 O VAL A 11 101.232 2.069 -11.451 1.00 0.00 O ATOM 187 CB VAL A 11 104.078 3.164 -10.258 1.00 0.00 C ATOM 188 CG1 VAL A 11 104.740 4.145 -9.286 1.00 0.00 C ATOM 189 CG2 VAL A 11 103.783 1.848 -9.522 1.00 0.00 C ATOM 0 H VAL A 11 101.526 3.089 -9.216 1.00 0.00 H new ATOM 0 HA VAL A 11 102.973 4.720 -11.317 1.00 0.00 H new ATOM 0 HB VAL A 11 104.746 2.962 -11.096 1.00 0.00 H new ATOM 0 HG11 VAL A 11 105.662 3.709 -8.901 1.00 0.00 H new ATOM 0 HG12 VAL A 11 104.968 5.075 -9.807 1.00 0.00 H new ATOM 0 HG13 VAL A 11 104.062 4.350 -8.458 1.00 0.00 H new ATOM 0 HG21 VAL A 11 104.714 1.426 -9.143 1.00 0.00 H new ATOM 0 HG22 VAL A 11 103.107 2.041 -8.689 1.00 0.00 H new ATOM 0 HG23 VAL A 11 103.319 1.142 -10.211 1.00 0.00 H new ATOM 199 N GLU A 12 102.510 2.887 -13.053 1.00 0.00 N ATOM 200 CA GLU A 12 102.015 1.884 -14.038 1.00 0.00 C ATOM 201 C GLU A 12 103.201 1.087 -14.583 1.00 0.00 C ATOM 202 O GLU A 12 104.280 1.616 -14.762 1.00 0.00 O ATOM 203 CB GLU A 12 101.346 2.707 -15.145 1.00 0.00 C ATOM 204 CG GLU A 12 100.746 1.775 -16.202 1.00 0.00 C ATOM 205 CD GLU A 12 100.172 2.608 -17.350 1.00 0.00 C ATOM 206 OE1 GLU A 12 99.223 3.336 -17.109 1.00 0.00 O ATOM 207 OE2 GLU A 12 100.690 2.502 -18.449 1.00 0.00 O ATOM 0 H GLU A 12 103.158 3.580 -13.427 1.00 0.00 H new ATOM 0 HA GLU A 12 101.317 1.168 -13.604 1.00 0.00 H new ATOM 0 HB2 GLU A 12 100.565 3.338 -14.719 1.00 0.00 H new ATOM 0 HB3 GLU A 12 102.076 3.372 -15.607 1.00 0.00 H new ATOM 0 HG2 GLU A 12 101.510 1.095 -16.579 1.00 0.00 H new ATOM 0 HG3 GLU A 12 99.963 1.160 -15.758 1.00 0.00 H new ATOM 214 N VAL A 13 103.008 -0.179 -14.840 1.00 0.00 N ATOM 215 CA VAL A 13 104.110 -1.007 -15.413 1.00 0.00 C ATOM 216 C VAL A 13 103.581 -1.827 -16.587 1.00 0.00 C ATOM 217 O VAL A 13 102.471 -2.327 -16.544 1.00 0.00 O ATOM 218 CB VAL A 13 104.576 -1.918 -14.260 1.00 0.00 C ATOM 219 CG1 VAL A 13 103.472 -2.912 -13.872 1.00 0.00 C ATOM 220 CG2 VAL A 13 105.813 -2.701 -14.701 1.00 0.00 C ATOM 0 H VAL A 13 102.133 -0.677 -14.678 1.00 0.00 H new ATOM 0 HA VAL A 13 104.934 -0.404 -15.795 1.00 0.00 H new ATOM 0 HB VAL A 13 104.809 -1.293 -13.398 1.00 0.00 H new ATOM 0 HG11 VAL A 13 103.822 -3.545 -13.057 1.00 0.00 H new ATOM 0 HG12 VAL A 13 102.586 -2.364 -13.551 1.00 0.00 H new ATOM 0 HG13 VAL A 13 103.223 -3.533 -14.732 1.00 0.00 H new ATOM 0 HG21 VAL A 13 106.145 -3.346 -13.887 1.00 0.00 H new ATOM 0 HG22 VAL A 13 105.567 -3.311 -15.570 1.00 0.00 H new ATOM 0 HG23 VAL A 13 106.611 -2.005 -14.960 1.00 0.00 H new ATOM 230 N LEU A 14 104.355 -1.971 -17.631 1.00 0.00 N ATOM 231 CA LEU A 14 103.956 -2.932 -18.702 1.00 0.00 C ATOM 232 C LEU A 14 104.640 -4.267 -18.465 1.00 0.00 C ATOM 233 O LEU A 14 105.817 -4.325 -18.155 1.00 0.00 O ATOM 234 CB LEU A 14 104.411 -2.357 -20.054 1.00 0.00 C ATOM 235 CG LEU A 14 103.990 -0.884 -20.265 1.00 0.00 C ATOM 236 CD1 LEU A 14 103.778 -0.659 -21.765 1.00 0.00 C ATOM 237 CD2 LEU A 14 102.694 -0.540 -19.514 1.00 0.00 C ATOM 0 H LEU A 14 105.232 -1.474 -17.788 1.00 0.00 H new ATOM 0 HA LEU A 14 102.876 -3.079 -18.696 1.00 0.00 H new ATOM 0 HB2 LEU A 14 105.496 -2.431 -20.126 1.00 0.00 H new ATOM 0 HB3 LEU A 14 103.996 -2.965 -20.858 1.00 0.00 H new ATOM 0 HG LEU A 14 104.776 -0.239 -19.872 1.00 0.00 H new ATOM 0 HD11 LEU A 14 103.480 0.375 -21.939 1.00 0.00 H new ATOM 0 HD12 LEU A 14 104.706 -0.864 -22.298 1.00 0.00 H new ATOM 0 HD13 LEU A 14 102.997 -1.328 -22.126 1.00 0.00 H new ATOM 0 HD21 LEU A 14 102.437 0.504 -19.691 1.00 0.00 H new ATOM 0 HD22 LEU A 14 101.886 -1.178 -19.871 1.00 0.00 H new ATOM 0 HD23 LEU A 14 102.839 -0.702 -18.446 1.00 0.00 H new ATOM 249 N LEU A 15 103.913 -5.341 -18.606 1.00 0.00 N ATOM 250 CA LEU A 15 104.535 -6.686 -18.440 1.00 0.00 C ATOM 251 C LEU A 15 105.185 -7.129 -19.753 1.00 0.00 C ATOM 252 O LEU A 15 105.092 -6.454 -20.761 1.00 0.00 O ATOM 253 CB LEU A 15 103.387 -7.627 -18.058 1.00 0.00 C ATOM 254 CG LEU A 15 102.799 -7.210 -16.706 1.00 0.00 C ATOM 255 CD1 LEU A 15 101.503 -7.982 -16.453 1.00 0.00 C ATOM 256 CD2 LEU A 15 103.801 -7.522 -15.593 1.00 0.00 C ATOM 0 H LEU A 15 102.918 -5.346 -18.828 1.00 0.00 H new ATOM 0 HA LEU A 15 105.317 -6.685 -17.681 1.00 0.00 H new ATOM 0 HB2 LEU A 15 102.613 -7.600 -18.825 1.00 0.00 H new ATOM 0 HB3 LEU A 15 103.749 -8.654 -18.006 1.00 0.00 H new ATOM 0 HG LEU A 15 102.590 -6.140 -16.718 1.00 0.00 H new ATOM 0 HD11 LEU A 15 101.085 -7.685 -15.491 1.00 0.00 H new ATOM 0 HD12 LEU A 15 100.787 -7.760 -17.244 1.00 0.00 H new ATOM 0 HD13 LEU A 15 101.713 -9.052 -16.443 1.00 0.00 H new ATOM 0 HD21 LEU A 15 103.381 -7.225 -14.632 1.00 0.00 H new ATOM 0 HD22 LEU A 15 104.011 -8.591 -15.582 1.00 0.00 H new ATOM 0 HD23 LEU A 15 104.725 -6.972 -15.771 1.00 0.00 H new ATOM 268 N ASN A 16 105.845 -8.263 -19.742 1.00 0.00 N ATOM 269 CA ASN A 16 106.568 -8.751 -20.969 1.00 0.00 C ATOM 270 C ASN A 16 105.613 -8.902 -22.165 1.00 0.00 C ATOM 271 O ASN A 16 106.037 -8.905 -23.306 1.00 0.00 O ATOM 272 CB ASN A 16 107.169 -10.114 -20.581 1.00 0.00 C ATOM 273 CG ASN A 16 106.062 -11.083 -20.143 1.00 0.00 C ATOM 274 OD1 ASN A 16 105.157 -11.373 -20.900 1.00 0.00 O ATOM 275 ND2 ASN A 16 106.097 -11.595 -18.943 1.00 0.00 N ATOM 0 H ASN A 16 105.917 -8.878 -18.932 1.00 0.00 H new ATOM 0 HA ASN A 16 107.334 -8.041 -21.281 1.00 0.00 H new ATOM 0 HB2 ASN A 16 107.713 -10.533 -21.428 1.00 0.00 H new ATOM 0 HB3 ASN A 16 107.888 -9.984 -19.772 1.00 0.00 H new ATOM 0 HD21 ASN A 16 105.365 -12.238 -18.641 1.00 0.00 H new ATOM 0 HD22 ASN A 16 106.856 -11.352 -18.307 1.00 0.00 H new ATOM 282 N ASN A 17 104.333 -9.024 -21.911 1.00 0.00 N ATOM 283 CA ASN A 17 103.355 -9.230 -23.024 1.00 0.00 C ATOM 284 C ASN A 17 102.613 -7.919 -23.346 1.00 0.00 C ATOM 285 O ASN A 17 101.462 -7.946 -23.734 1.00 0.00 O ATOM 286 CB ASN A 17 102.382 -10.305 -22.511 1.00 0.00 C ATOM 287 CG ASN A 17 101.618 -9.811 -21.271 1.00 0.00 C ATOM 288 OD1 ASN A 17 102.041 -8.886 -20.605 1.00 0.00 O ATOM 289 ND2 ASN A 17 100.504 -10.398 -20.933 1.00 0.00 N ATOM 0 H ASN A 17 103.922 -8.990 -20.978 1.00 0.00 H new ATOM 0 HA ASN A 17 103.845 -9.538 -23.948 1.00 0.00 H new ATOM 0 HB2 ASN A 17 101.675 -10.566 -23.298 1.00 0.00 H new ATOM 0 HB3 ASN A 17 102.934 -11.212 -22.265 1.00 0.00 H new ATOM 0 HD21 ASN A 17 99.989 -10.081 -20.111 1.00 0.00 H new ATOM 0 HD22 ASN A 17 100.147 -11.174 -21.490 1.00 0.00 H new ATOM 296 N ASP A 18 103.260 -6.779 -23.164 1.00 0.00 N ATOM 297 CA ASP A 18 102.739 -5.472 -23.696 1.00 0.00 C ATOM 298 C ASP A 18 101.287 -5.229 -23.250 1.00 0.00 C ATOM 299 O ASP A 18 100.533 -4.544 -23.917 1.00 0.00 O ATOM 300 CB ASP A 18 102.892 -5.514 -25.237 1.00 0.00 C ATOM 301 CG ASP A 18 101.840 -6.407 -25.909 1.00 0.00 C ATOM 302 OD1 ASP A 18 102.106 -7.586 -26.075 1.00 0.00 O ATOM 303 OD2 ASP A 18 100.785 -5.893 -26.244 1.00 0.00 O ATOM 0 H ASP A 18 104.143 -6.703 -22.659 1.00 0.00 H new ATOM 0 HA ASP A 18 103.307 -4.632 -23.296 1.00 0.00 H new ATOM 0 HB2 ASP A 18 102.812 -4.502 -25.634 1.00 0.00 H new ATOM 0 HB3 ASP A 18 103.888 -5.878 -25.490 1.00 0.00 H new ATOM 308 N SER A 19 100.898 -5.792 -22.128 1.00 0.00 N ATOM 309 CA SER A 19 99.608 -5.399 -21.494 1.00 0.00 C ATOM 310 C SER A 19 99.906 -4.473 -20.317 1.00 0.00 C ATOM 311 O SER A 19 100.769 -4.757 -19.505 1.00 0.00 O ATOM 312 CB SER A 19 98.980 -6.708 -21.014 1.00 0.00 C ATOM 313 OG SER A 19 99.765 -7.248 -19.958 1.00 0.00 O ATOM 0 H SER A 19 101.424 -6.508 -21.627 1.00 0.00 H new ATOM 0 HA SER A 19 98.939 -4.870 -22.173 1.00 0.00 H new ATOM 0 HB2 SER A 19 97.961 -6.531 -20.671 1.00 0.00 H new ATOM 0 HB3 SER A 19 98.920 -7.419 -21.838 1.00 0.00 H new ATOM 0 HG SER A 19 100.550 -7.699 -20.332 1.00 0.00 H new ATOM 319 N LYS A 20 99.205 -3.376 -20.215 1.00 0.00 N ATOM 320 CA LYS A 20 99.617 -2.315 -19.244 1.00 0.00 C ATOM 321 C LYS A 20 98.622 -2.240 -18.081 1.00 0.00 C ATOM 322 O LYS A 20 97.422 -2.299 -18.275 1.00 0.00 O ATOM 323 CB LYS A 20 99.597 -0.993 -20.036 1.00 0.00 C ATOM 324 CG LYS A 20 100.254 -1.167 -21.416 1.00 0.00 C ATOM 325 CD LYS A 20 100.342 0.192 -22.116 1.00 0.00 C ATOM 326 CE LYS A 20 100.847 -0.003 -23.547 1.00 0.00 C ATOM 327 NZ LYS A 20 100.304 1.157 -24.306 1.00 0.00 N ATOM 0 H LYS A 20 98.368 -3.167 -20.759 1.00 0.00 H new ATOM 0 HA LYS A 20 100.600 -2.522 -18.821 1.00 0.00 H new ATOM 0 HB2 LYS A 20 98.568 -0.654 -20.159 1.00 0.00 H new ATOM 0 HB3 LYS A 20 100.122 -0.220 -19.474 1.00 0.00 H new ATOM 0 HG2 LYS A 20 101.250 -1.596 -21.305 1.00 0.00 H new ATOM 0 HG3 LYS A 20 99.673 -1.863 -22.022 1.00 0.00 H new ATOM 0 HD2 LYS A 20 99.363 0.672 -22.127 1.00 0.00 H new ATOM 0 HD3 LYS A 20 101.015 0.852 -21.568 1.00 0.00 H new ATOM 0 HE2 LYS A 20 101.936 -0.023 -23.582 1.00 0.00 H new ATOM 0 HE3 LYS A 20 100.497 -0.947 -23.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 100.607 1.095 -25.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 99.265 1.146 -24.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 100.660 2.041 -23.890 1.00 0.00 H new ATOM 341 N ALA A 21 99.122 -2.111 -16.875 1.00 0.00 N ATOM 342 CA ALA A 21 98.222 -1.954 -15.689 1.00 0.00 C ATOM 343 C ALA A 21 98.831 -0.961 -14.694 1.00 0.00 C ATOM 344 O ALA A 21 100.037 -0.799 -14.631 1.00 0.00 O ATOM 345 CB ALA A 21 98.136 -3.350 -15.070 1.00 0.00 C ATOM 0 H ALA A 21 100.119 -2.108 -16.661 1.00 0.00 H new ATOM 0 HA ALA A 21 97.240 -1.569 -15.962 1.00 0.00 H new ATOM 0 HB1 ALA A 21 97.492 -3.319 -14.191 1.00 0.00 H new ATOM 0 HB2 ALA A 21 97.722 -4.047 -15.799 1.00 0.00 H new ATOM 0 HB3 ALA A 21 99.133 -3.680 -14.778 1.00 0.00 H new ATOM 351 N ARG A 22 98.007 -0.298 -13.916 1.00 0.00 N ATOM 352 CA ARG A 22 98.530 0.701 -12.932 1.00 0.00 C ATOM 353 C ARG A 22 97.815 0.540 -11.591 1.00 0.00 C ATOM 354 O ARG A 22 96.745 -0.035 -11.520 1.00 0.00 O ATOM 355 CB ARG A 22 98.239 2.082 -13.546 1.00 0.00 C ATOM 356 CG ARG A 22 96.734 2.248 -13.807 1.00 0.00 C ATOM 357 CD ARG A 22 96.482 3.568 -14.545 1.00 0.00 C ATOM 358 NE ARG A 22 96.354 4.605 -13.470 1.00 0.00 N ATOM 359 CZ ARG A 22 95.794 5.776 -13.708 1.00 0.00 C ATOM 360 NH1 ARG A 22 95.342 6.097 -14.898 1.00 0.00 N ATOM 361 NH2 ARG A 22 95.691 6.641 -12.735 1.00 0.00 N ATOM 0 H ARG A 22 96.993 -0.407 -13.921 1.00 0.00 H new ATOM 0 HA ARG A 22 99.595 0.569 -12.743 1.00 0.00 H new ATOM 0 HB2 ARG A 22 98.586 2.866 -12.873 1.00 0.00 H new ATOM 0 HB3 ARG A 22 98.791 2.195 -14.479 1.00 0.00 H new ATOM 0 HG2 ARG A 22 96.363 1.412 -14.400 1.00 0.00 H new ATOM 0 HG3 ARG A 22 96.188 2.237 -12.864 1.00 0.00 H new ATOM 0 HD2 ARG A 22 97.303 3.803 -15.222 1.00 0.00 H new ATOM 0 HD3 ARG A 22 95.576 3.514 -15.149 1.00 0.00 H new ATOM 0 HE ARG A 22 96.707 4.401 -12.535 1.00 0.00 H new ATOM 0 HH11 ARG A 22 95.419 5.433 -15.669 1.00 0.00 H new ATOM 0 HH12 ARG A 22 94.914 7.010 -15.052 1.00 0.00 H new ATOM 0 HH21 ARG A 22 96.041 6.408 -11.806 1.00 0.00 H new ATOM 0 HH22 ARG A 22 95.260 7.550 -12.904 1.00 0.00 H new ATOM 375 N GLY A 23 98.401 1.038 -10.529 1.00 0.00 N ATOM 376 CA GLY A 23 97.719 0.991 -9.201 1.00 0.00 C ATOM 377 C GLY A 23 98.629 1.604 -8.138 1.00 0.00 C ATOM 378 O GLY A 23 99.677 2.142 -8.446 1.00 0.00 O ATOM 0 H GLY A 23 99.323 1.475 -10.526 1.00 0.00 H new ATOM 0 HA2 GLY A 23 96.776 1.536 -9.245 1.00 0.00 H new ATOM 0 HA3 GLY A 23 97.480 -0.040 -8.940 1.00 0.00 H new ATOM 382 N VAL A 24 98.238 1.526 -6.889 1.00 0.00 N ATOM 383 CA VAL A 24 99.099 2.065 -5.790 1.00 0.00 C ATOM 384 C VAL A 24 99.960 0.933 -5.216 1.00 0.00 C ATOM 385 O VAL A 24 99.461 -0.121 -4.875 1.00 0.00 O ATOM 386 CB VAL A 24 98.128 2.605 -4.724 1.00 0.00 C ATOM 387 CG1 VAL A 24 98.920 3.210 -3.560 1.00 0.00 C ATOM 388 CG2 VAL A 24 97.228 3.692 -5.328 1.00 0.00 C ATOM 0 H VAL A 24 97.358 1.111 -6.583 1.00 0.00 H new ATOM 0 HA VAL A 24 99.774 2.847 -6.138 1.00 0.00 H new ATOM 0 HB VAL A 24 97.512 1.780 -4.366 1.00 0.00 H new ATOM 0 HG11 VAL A 24 98.228 3.591 -2.808 1.00 0.00 H new ATOM 0 HG12 VAL A 24 99.554 2.444 -3.114 1.00 0.00 H new ATOM 0 HG13 VAL A 24 99.541 4.026 -3.928 1.00 0.00 H new ATOM 0 HG21 VAL A 24 96.546 4.066 -4.564 1.00 0.00 H new ATOM 0 HG22 VAL A 24 97.845 4.512 -5.696 1.00 0.00 H new ATOM 0 HG23 VAL A 24 96.653 3.271 -6.153 1.00 0.00 H new ATOM 398 N ILE A 25 101.246 1.150 -5.110 1.00 0.00 N ATOM 399 CA ILE A 25 102.159 0.072 -4.599 1.00 0.00 C ATOM 400 C ILE A 25 101.865 -0.209 -3.118 1.00 0.00 C ATOM 401 O ILE A 25 101.664 0.702 -2.336 1.00 0.00 O ATOM 402 CB ILE A 25 103.584 0.631 -4.786 1.00 0.00 C ATOM 403 CG1 ILE A 25 103.864 0.816 -6.283 1.00 0.00 C ATOM 404 CG2 ILE A 25 104.623 -0.329 -4.188 1.00 0.00 C ATOM 405 CD1 ILE A 25 105.094 1.706 -6.469 1.00 0.00 C ATOM 0 H ILE A 25 101.708 2.026 -5.354 1.00 0.00 H new ATOM 0 HA ILE A 25 102.028 -0.872 -5.128 1.00 0.00 H new ATOM 0 HB ILE A 25 103.656 1.589 -4.272 1.00 0.00 H new ATOM 0 HG12 ILE A 25 104.029 -0.153 -6.755 1.00 0.00 H new ATOM 0 HG13 ILE A 25 103.000 1.266 -6.772 1.00 0.00 H new ATOM 0 HG21 ILE A 25 105.622 0.082 -4.330 1.00 0.00 H new ATOM 0 HG22 ILE A 25 104.430 -0.456 -3.123 1.00 0.00 H new ATOM 0 HG23 ILE A 25 104.555 -1.296 -4.687 1.00 0.00 H new ATOM 0 HD11 ILE A 25 105.291 1.836 -7.533 1.00 0.00 H new ATOM 0 HD12 ILE A 25 104.912 2.679 -6.012 1.00 0.00 H new ATOM 0 HD13 ILE A 25 105.957 1.238 -5.995 1.00 0.00 H new ATOM 417 N THR A 26 101.840 -1.465 -2.737 1.00 0.00 N ATOM 418 CA THR A 26 101.532 -1.817 -1.315 1.00 0.00 C ATOM 419 C THR A 26 102.635 -2.690 -0.701 1.00 0.00 C ATOM 420 O THR A 26 102.946 -2.553 0.470 1.00 0.00 O ATOM 421 CB THR A 26 100.210 -2.587 -1.368 1.00 0.00 C ATOM 422 OG1 THR A 26 100.327 -3.665 -2.285 1.00 0.00 O ATOM 423 CG2 THR A 26 99.084 -1.651 -1.815 1.00 0.00 C ATOM 0 H THR A 26 102.020 -2.260 -3.350 1.00 0.00 H new ATOM 0 HA THR A 26 101.467 -0.925 -0.692 1.00 0.00 H new ATOM 0 HB THR A 26 99.979 -2.977 -0.377 1.00 0.00 H new ATOM 0 HG1 THR A 26 100.455 -3.312 -3.190 1.00 0.00 H new ATOM 0 HG21 THR A 26 98.145 -2.203 -1.851 1.00 0.00 H new ATOM 0 HG22 THR A 26 98.993 -0.827 -1.107 1.00 0.00 H new ATOM 0 HG23 THR A 26 99.311 -1.256 -2.805 1.00 0.00 H new ATOM 431 N ASN A 27 103.233 -3.583 -1.464 1.00 0.00 N ATOM 432 CA ASN A 27 104.205 -4.545 -0.855 1.00 0.00 C ATOM 433 C ASN A 27 105.433 -4.727 -1.749 1.00 0.00 C ATOM 434 O ASN A 27 105.346 -4.652 -2.960 1.00 0.00 O ATOM 435 CB ASN A 27 103.435 -5.860 -0.735 1.00 0.00 C ATOM 436 CG ASN A 27 104.185 -6.807 0.205 1.00 0.00 C ATOM 437 OD1 ASN A 27 104.233 -6.584 1.398 1.00 0.00 O ATOM 438 ND2 ASN A 27 104.777 -7.860 -0.287 1.00 0.00 N ATOM 0 H ASN A 27 103.090 -3.684 -2.469 1.00 0.00 H new ATOM 0 HA ASN A 27 104.574 -4.190 0.107 1.00 0.00 H new ATOM 0 HB2 ASN A 27 102.431 -5.672 -0.354 1.00 0.00 H new ATOM 0 HB3 ASN A 27 103.323 -6.319 -1.717 1.00 0.00 H new ATOM 0 HD21 ASN A 27 105.281 -8.497 0.330 1.00 0.00 H new ATOM 0 HD22 ASN A 27 104.736 -8.047 -1.289 1.00 0.00 H new ATOM 445 N PHE A 28 106.575 -4.962 -1.152 1.00 0.00 N ATOM 446 CA PHE A 28 107.796 -5.307 -1.938 1.00 0.00 C ATOM 447 C PHE A 28 108.696 -6.232 -1.113 1.00 0.00 C ATOM 448 O PHE A 28 108.986 -5.961 0.038 1.00 0.00 O ATOM 449 CB PHE A 28 108.492 -3.973 -2.206 1.00 0.00 C ATOM 450 CG PHE A 28 109.636 -4.079 -3.187 1.00 0.00 C ATOM 451 CD1 PHE A 28 109.374 -4.341 -4.553 1.00 0.00 C ATOM 452 CD2 PHE A 28 110.970 -3.917 -2.740 1.00 0.00 C ATOM 453 CE1 PHE A 28 110.445 -4.441 -5.473 1.00 0.00 C ATOM 454 CE2 PHE A 28 112.042 -4.016 -3.660 1.00 0.00 C ATOM 455 CZ PHE A 28 111.780 -4.278 -5.027 1.00 0.00 C ATOM 0 H PHE A 28 106.713 -4.929 -0.142 1.00 0.00 H new ATOM 0 HA PHE A 28 107.561 -5.829 -2.866 1.00 0.00 H new ATOM 0 HB2 PHE A 28 107.761 -3.261 -2.588 1.00 0.00 H new ATOM 0 HB3 PHE A 28 108.867 -3.572 -1.264 1.00 0.00 H new ATOM 0 HD1 PHE A 28 108.357 -4.465 -4.893 1.00 0.00 H new ATOM 0 HD2 PHE A 28 111.170 -3.718 -1.697 1.00 0.00 H new ATOM 0 HE1 PHE A 28 110.245 -4.642 -6.515 1.00 0.00 H new ATOM 0 HE2 PHE A 28 113.059 -3.892 -3.319 1.00 0.00 H new ATOM 0 HZ PHE A 28 112.597 -4.353 -5.729 1.00 0.00 H new ATOM 465 N ASP A 29 109.137 -7.318 -1.696 1.00 0.00 N ATOM 466 CA ASP A 29 109.960 -8.309 -0.936 1.00 0.00 C ATOM 467 C ASP A 29 111.313 -8.503 -1.623 1.00 0.00 C ATOM 468 O ASP A 29 111.378 -8.872 -2.780 1.00 0.00 O ATOM 469 CB ASP A 29 109.149 -9.605 -0.970 1.00 0.00 C ATOM 470 CG ASP A 29 109.751 -10.614 0.010 1.00 0.00 C ATOM 471 OD1 ASP A 29 110.964 -10.750 0.021 1.00 0.00 O ATOM 472 OD2 ASP A 29 108.989 -11.234 0.733 1.00 0.00 O ATOM 0 H ASP A 29 108.962 -7.562 -2.671 1.00 0.00 H new ATOM 0 HA ASP A 29 110.164 -7.984 0.084 1.00 0.00 H new ATOM 0 HB2 ASP A 29 108.111 -9.403 -0.707 1.00 0.00 H new ATOM 0 HB3 ASP A 29 109.148 -10.019 -1.978 1.00 0.00 H new ATOM 477 N SER A 30 112.387 -8.257 -0.915 1.00 0.00 N ATOM 478 CA SER A 30 113.749 -8.406 -1.523 1.00 0.00 C ATOM 479 C SER A 30 114.084 -9.886 -1.755 1.00 0.00 C ATOM 480 O SER A 30 114.871 -10.217 -2.624 1.00 0.00 O ATOM 481 CB SER A 30 114.717 -7.795 -0.508 1.00 0.00 C ATOM 482 OG SER A 30 114.749 -8.607 0.659 1.00 0.00 O ATOM 0 H SER A 30 112.381 -7.959 0.060 1.00 0.00 H new ATOM 0 HA SER A 30 113.810 -7.914 -2.494 1.00 0.00 H new ATOM 0 HB2 SER A 30 115.715 -7.720 -0.940 1.00 0.00 H new ATOM 0 HB3 SER A 30 114.403 -6.783 -0.252 1.00 0.00 H new ATOM 0 HG SER A 30 115.370 -8.219 1.311 1.00 0.00 H new ATOM 488 N SER A 31 113.496 -10.776 -0.989 1.00 0.00 N ATOM 489 CA SER A 31 113.834 -12.235 -1.117 1.00 0.00 C ATOM 490 C SER A 31 113.491 -12.752 -2.520 1.00 0.00 C ATOM 491 O SER A 31 114.298 -13.396 -3.164 1.00 0.00 O ATOM 492 CB SER A 31 112.979 -12.945 -0.066 1.00 0.00 C ATOM 493 OG SER A 31 113.210 -12.354 1.205 1.00 0.00 O ATOM 0 H SER A 31 112.796 -10.557 -0.280 1.00 0.00 H new ATOM 0 HA SER A 31 114.899 -12.414 -0.967 1.00 0.00 H new ATOM 0 HB2 SER A 31 111.924 -12.870 -0.328 1.00 0.00 H new ATOM 0 HB3 SER A 31 113.226 -14.006 -0.037 1.00 0.00 H new ATOM 0 HG SER A 31 112.548 -11.649 1.363 1.00 0.00 H new ATOM 499 N ASN A 32 112.300 -12.473 -2.993 1.00 0.00 N ATOM 500 CA ASN A 32 111.897 -12.939 -4.359 1.00 0.00 C ATOM 501 C ASN A 32 111.451 -11.760 -5.242 1.00 0.00 C ATOM 502 O ASN A 32 110.918 -11.961 -6.317 1.00 0.00 O ATOM 503 CB ASN A 32 110.728 -13.896 -4.120 1.00 0.00 C ATOM 504 CG ASN A 32 111.226 -15.144 -3.386 1.00 0.00 C ATOM 505 OD1 ASN A 32 112.319 -15.614 -3.632 1.00 0.00 O ATOM 506 ND2 ASN A 32 110.463 -15.704 -2.486 1.00 0.00 N ATOM 0 H ASN A 32 111.588 -11.942 -2.492 1.00 0.00 H new ATOM 0 HA ASN A 32 112.727 -13.416 -4.881 1.00 0.00 H new ATOM 0 HB2 ASN A 32 109.954 -13.401 -3.533 1.00 0.00 H new ATOM 0 HB3 ASN A 32 110.275 -14.178 -5.071 1.00 0.00 H new ATOM 0 HD21 ASN A 32 110.785 -16.535 -1.990 1.00 0.00 H new ATOM 0 HD22 ASN A 32 109.545 -15.310 -2.279 1.00 0.00 H new ATOM 513 N SER A 33 111.661 -10.533 -4.800 1.00 0.00 N ATOM 514 CA SER A 33 111.224 -9.330 -5.593 1.00 0.00 C ATOM 515 C SER A 33 109.746 -9.449 -6.006 1.00 0.00 C ATOM 516 O SER A 33 109.423 -9.578 -7.173 1.00 0.00 O ATOM 517 CB SER A 33 112.138 -9.300 -6.824 1.00 0.00 C ATOM 518 OG SER A 33 113.487 -9.472 -6.412 1.00 0.00 O ATOM 0 H SER A 33 112.121 -10.314 -3.916 1.00 0.00 H new ATOM 0 HA SER A 33 111.303 -8.412 -5.010 1.00 0.00 H new ATOM 0 HB2 SER A 33 111.855 -10.089 -7.521 1.00 0.00 H new ATOM 0 HB3 SER A 33 112.025 -8.353 -7.352 1.00 0.00 H new ATOM 0 HG SER A 33 114.073 -9.455 -7.197 1.00 0.00 H new ATOM 524 N ILE A 34 108.852 -9.406 -5.047 1.00 0.00 N ATOM 525 CA ILE A 34 107.393 -9.532 -5.363 1.00 0.00 C ATOM 526 C ILE A 34 106.675 -8.222 -5.021 1.00 0.00 C ATOM 527 O ILE A 34 106.850 -7.673 -3.949 1.00 0.00 O ATOM 528 CB ILE A 34 106.873 -10.686 -4.486 1.00 0.00 C ATOM 529 CG1 ILE A 34 107.716 -11.964 -4.705 1.00 0.00 C ATOM 530 CG2 ILE A 34 105.407 -10.975 -4.828 1.00 0.00 C ATOM 531 CD1 ILE A 34 107.660 -12.430 -6.172 1.00 0.00 C ATOM 0 H ILE A 34 109.070 -9.289 -4.057 1.00 0.00 H new ATOM 0 HA ILE A 34 107.216 -9.732 -6.420 1.00 0.00 H new ATOM 0 HB ILE A 34 106.955 -10.389 -3.441 1.00 0.00 H new ATOM 0 HG12 ILE A 34 108.751 -11.772 -4.422 1.00 0.00 H new ATOM 0 HG13 ILE A 34 107.350 -12.759 -4.055 1.00 0.00 H new ATOM 0 HG21 ILE A 34 105.042 -11.792 -4.206 1.00 0.00 H new ATOM 0 HG22 ILE A 34 104.808 -10.083 -4.644 1.00 0.00 H new ATOM 0 HG23 ILE A 34 105.327 -11.255 -5.878 1.00 0.00 H new ATOM 0 HD11 ILE A 34 108.263 -13.330 -6.291 1.00 0.00 H new ATOM 0 HD12 ILE A 34 106.627 -12.646 -6.446 1.00 0.00 H new ATOM 0 HD13 ILE A 34 108.050 -11.644 -6.819 1.00 0.00 H new ATOM 543 N LEU A 35 105.869 -7.724 -5.927 1.00 0.00 N ATOM 544 CA LEU A 35 105.223 -6.389 -5.723 1.00 0.00 C ATOM 545 C LEU A 35 103.701 -6.518 -5.803 1.00 0.00 C ATOM 546 O LEU A 35 103.162 -7.006 -6.780 1.00 0.00 O ATOM 547 CB LEU A 35 105.754 -5.530 -6.874 1.00 0.00 C ATOM 548 CG LEU A 35 105.281 -4.083 -6.708 1.00 0.00 C ATOM 549 CD1 LEU A 35 106.232 -3.336 -5.772 1.00 0.00 C ATOM 550 CD2 LEU A 35 105.269 -3.396 -8.076 1.00 0.00 C ATOM 0 H LEU A 35 105.630 -8.187 -6.804 1.00 0.00 H new ATOM 0 HA LEU A 35 105.448 -5.958 -4.747 1.00 0.00 H new ATOM 0 HB2 LEU A 35 106.843 -5.565 -6.893 1.00 0.00 H new ATOM 0 HB3 LEU A 35 105.406 -5.928 -7.827 1.00 0.00 H new ATOM 0 HG LEU A 35 104.277 -4.075 -6.284 1.00 0.00 H new ATOM 0 HD11 LEU A 35 105.894 -2.306 -5.655 1.00 0.00 H new ATOM 0 HD12 LEU A 35 106.244 -3.826 -4.799 1.00 0.00 H new ATOM 0 HD13 LEU A 35 107.237 -3.342 -6.194 1.00 0.00 H new ATOM 0 HD21 LEU A 35 104.933 -2.365 -7.963 1.00 0.00 H new ATOM 0 HD22 LEU A 35 106.274 -3.405 -8.497 1.00 0.00 H new ATOM 0 HD23 LEU A 35 104.591 -3.927 -8.744 1.00 0.00 H new ATOM 562 N GLN A 36 103.010 -6.080 -4.780 1.00 0.00 N ATOM 563 CA GLN A 36 101.521 -6.044 -4.835 1.00 0.00 C ATOM 564 C GLN A 36 101.050 -4.629 -5.170 1.00 0.00 C ATOM 565 O GLN A 36 101.458 -3.668 -4.543 1.00 0.00 O ATOM 566 CB GLN A 36 101.057 -6.448 -3.434 1.00 0.00 C ATOM 567 CG GLN A 36 101.311 -7.942 -3.223 1.00 0.00 C ATOM 568 CD GLN A 36 100.759 -8.366 -1.861 1.00 0.00 C ATOM 569 OE1 GLN A 36 101.582 -8.544 -0.863 1.00 0.00 O flip ATOM 570 NE2 GLN A 36 99.567 -8.539 -1.703 1.00 0.00 N flip ATOM 0 H GLN A 36 103.417 -5.745 -3.907 1.00 0.00 H new ATOM 0 HA GLN A 36 101.117 -6.708 -5.599 1.00 0.00 H new ATOM 0 HB2 GLN A 36 101.591 -5.868 -2.681 1.00 0.00 H new ATOM 0 HB3 GLN A 36 99.996 -6.228 -3.313 1.00 0.00 H new ATOM 0 HG2 GLN A 36 100.834 -8.518 -4.016 1.00 0.00 H new ATOM 0 HG3 GLN A 36 102.379 -8.151 -3.275 1.00 0.00 H new ATOM 0 HE21 GLN A 36 98.924 -8.400 -2.482 1.00 0.00 H new ATOM 0 HE22 GLN A 36 99.209 -8.823 -0.791 1.00 0.00 H new ATOM 579 N LEU A 37 100.199 -4.498 -6.158 1.00 0.00 N ATOM 580 CA LEU A 37 99.670 -3.151 -6.531 1.00 0.00 C ATOM 581 C LEU A 37 98.185 -3.058 -6.178 1.00 0.00 C ATOM 582 O LEU A 37 97.374 -3.825 -6.664 1.00 0.00 O ATOM 583 CB LEU A 37 99.869 -3.045 -8.044 1.00 0.00 C ATOM 584 CG LEU A 37 101.364 -3.024 -8.371 1.00 0.00 C ATOM 585 CD1 LEU A 37 101.565 -3.326 -9.857 1.00 0.00 C ATOM 586 CD2 LEU A 37 101.938 -1.641 -8.053 1.00 0.00 C ATOM 0 H LEU A 37 99.847 -5.270 -6.724 1.00 0.00 H new ATOM 0 HA LEU A 37 100.178 -2.346 -6.000 1.00 0.00 H new ATOM 0 HB2 LEU A 37 99.390 -3.888 -8.543 1.00 0.00 H new ATOM 0 HB3 LEU A 37 99.393 -2.140 -8.420 1.00 0.00 H new ATOM 0 HG LEU A 37 101.876 -3.777 -7.772 1.00 0.00 H new ATOM 0 HD11 LEU A 37 102.630 -3.311 -10.091 1.00 0.00 H new ATOM 0 HD12 LEU A 37 101.157 -4.310 -10.087 1.00 0.00 H new ATOM 0 HD13 LEU A 37 101.052 -2.572 -10.454 1.00 0.00 H new ATOM 0 HD21 LEU A 37 103.003 -1.627 -8.286 1.00 0.00 H new ATOM 0 HD22 LEU A 37 101.425 -0.888 -8.651 1.00 0.00 H new ATOM 0 HD23 LEU A 37 101.795 -1.422 -6.995 1.00 0.00 H new ATOM 598 N ARG A 38 97.827 -2.120 -5.335 1.00 0.00 N ATOM 599 CA ARG A 38 96.387 -1.948 -4.961 1.00 0.00 C ATOM 600 C ARG A 38 95.795 -0.744 -5.701 1.00 0.00 C ATOM 601 O ARG A 38 96.269 0.366 -5.568 1.00 0.00 O ATOM 602 CB ARG A 38 96.397 -1.705 -3.450 1.00 0.00 C ATOM 603 CG ARG A 38 94.960 -1.705 -2.921 1.00 0.00 C ATOM 604 CD ARG A 38 94.976 -1.493 -1.404 1.00 0.00 C ATOM 605 NE ARG A 38 95.449 -0.086 -1.212 1.00 0.00 N ATOM 606 CZ ARG A 38 94.655 0.946 -1.427 1.00 0.00 C ATOM 607 NH1 ARG A 38 93.417 0.791 -1.837 1.00 0.00 N ATOM 608 NH2 ARG A 38 95.114 2.152 -1.231 1.00 0.00 N ATOM 0 H ARG A 38 98.470 -1.465 -4.889 1.00 0.00 H new ATOM 0 HA ARG A 38 95.780 -2.814 -5.227 1.00 0.00 H new ATOM 0 HB2 ARG A 38 96.979 -2.479 -2.951 1.00 0.00 H new ATOM 0 HB3 ARG A 38 96.877 -0.752 -3.228 1.00 0.00 H new ATOM 0 HG2 ARG A 38 94.383 -0.916 -3.403 1.00 0.00 H new ATOM 0 HG3 ARG A 38 94.472 -2.649 -3.162 1.00 0.00 H new ATOM 0 HD2 ARG A 38 93.984 -1.638 -0.975 1.00 0.00 H new ATOM 0 HD3 ARG A 38 95.642 -2.203 -0.914 1.00 0.00 H new ATOM 0 HE ARG A 38 96.408 0.079 -0.908 1.00 0.00 H new ATOM 0 HH11 ARG A 38 93.046 -0.146 -1.997 1.00 0.00 H new ATOM 0 HH12 ARG A 38 92.826 1.607 -1.995 1.00 0.00 H new ATOM 0 HH21 ARG A 38 96.075 2.287 -0.916 1.00 0.00 H new ATOM 0 HH22 ARG A 38 94.512 2.959 -1.393 1.00 0.00 H new ATOM 622 N LEU A 39 94.762 -0.962 -6.475 1.00 0.00 N ATOM 623 CA LEU A 39 94.213 0.135 -7.330 1.00 0.00 C ATOM 624 C LEU A 39 92.941 0.728 -6.702 1.00 0.00 C ATOM 625 O LEU A 39 92.233 0.067 -5.961 1.00 0.00 O ATOM 626 CB LEU A 39 93.916 -0.539 -8.676 1.00 0.00 C ATOM 627 CG LEU A 39 93.351 0.467 -9.693 1.00 0.00 C ATOM 628 CD1 LEU A 39 94.361 1.588 -9.968 1.00 0.00 C ATOM 629 CD2 LEU A 39 93.068 -0.267 -11.001 1.00 0.00 C ATOM 0 H LEU A 39 94.274 -1.854 -6.552 1.00 0.00 H new ATOM 0 HA LEU A 39 94.906 0.969 -7.439 1.00 0.00 H new ATOM 0 HB2 LEU A 39 94.829 -0.985 -9.071 1.00 0.00 H new ATOM 0 HB3 LEU A 39 93.203 -1.350 -8.529 1.00 0.00 H new ATOM 0 HG LEU A 39 92.440 0.905 -9.286 1.00 0.00 H new ATOM 0 HD11 LEU A 39 93.940 2.288 -10.690 1.00 0.00 H new ATOM 0 HD12 LEU A 39 94.582 2.114 -9.039 1.00 0.00 H new ATOM 0 HD13 LEU A 39 95.279 1.160 -10.370 1.00 0.00 H new ATOM 0 HD21 LEU A 39 92.666 0.434 -11.732 1.00 0.00 H new ATOM 0 HD22 LEU A 39 93.993 -0.700 -11.383 1.00 0.00 H new ATOM 0 HD23 LEU A 39 92.342 -1.061 -10.823 1.00 0.00 H new ATOM 641 N ALA A 40 92.655 1.974 -7.009 1.00 0.00 N ATOM 642 CA ALA A 40 91.547 2.710 -6.309 1.00 0.00 C ATOM 643 C ALA A 40 90.168 2.097 -6.607 1.00 0.00 C ATOM 644 O ALA A 40 89.177 2.500 -6.026 1.00 0.00 O ATOM 645 CB ALA A 40 91.612 4.141 -6.848 1.00 0.00 C ATOM 0 H ALA A 40 93.145 2.517 -7.720 1.00 0.00 H new ATOM 0 HA ALA A 40 91.672 2.660 -5.227 1.00 0.00 H new ATOM 0 HB1 ALA A 40 90.831 4.741 -6.382 1.00 0.00 H new ATOM 0 HB2 ALA A 40 92.586 4.572 -6.619 1.00 0.00 H new ATOM 0 HB3 ALA A 40 91.465 4.130 -7.928 1.00 0.00 H new ATOM 651 N ASN A 41 90.086 1.134 -7.499 1.00 0.00 N ATOM 652 CA ASN A 41 88.787 0.428 -7.736 1.00 0.00 C ATOM 653 C ASN A 41 88.611 -0.744 -6.750 1.00 0.00 C ATOM 654 O ASN A 41 87.989 -1.738 -7.080 1.00 0.00 O ATOM 655 CB ASN A 41 88.877 -0.097 -9.172 1.00 0.00 C ATOM 656 CG ASN A 41 88.873 1.080 -10.149 1.00 0.00 C ATOM 657 OD1 ASN A 41 89.746 1.193 -10.986 1.00 0.00 O ATOM 658 ND2 ASN A 41 87.920 1.969 -10.078 1.00 0.00 N ATOM 0 H ASN A 41 90.864 0.808 -8.072 1.00 0.00 H new ATOM 0 HA ASN A 41 87.934 1.091 -7.589 1.00 0.00 H new ATOM 0 HB2 ASN A 41 89.786 -0.685 -9.299 1.00 0.00 H new ATOM 0 HB3 ASN A 41 88.037 -0.759 -9.381 1.00 0.00 H new ATOM 0 HD21 ASN A 41 87.909 2.758 -10.725 1.00 0.00 H new ATOM 0 HD22 ASN A 41 87.186 1.875 -9.376 1.00 0.00 H new ATOM 665 N ASP A 42 89.158 -0.645 -5.545 1.00 0.00 N ATOM 666 CA ASP A 42 88.975 -1.724 -4.512 1.00 0.00 C ATOM 667 C ASP A 42 89.486 -3.068 -5.045 1.00 0.00 C ATOM 668 O ASP A 42 88.999 -4.117 -4.663 1.00 0.00 O ATOM 669 CB ASP A 42 87.465 -1.793 -4.225 1.00 0.00 C ATOM 670 CG ASP A 42 86.993 -0.468 -3.619 1.00 0.00 C ATOM 671 OD1 ASP A 42 87.700 0.062 -2.778 1.00 0.00 O ATOM 672 OD2 ASP A 42 85.932 -0.008 -4.006 1.00 0.00 O ATOM 0 H ASP A 42 89.726 0.145 -5.237 1.00 0.00 H new ATOM 0 HA ASP A 42 89.539 -1.505 -3.605 1.00 0.00 H new ATOM 0 HB2 ASP A 42 86.919 -1.998 -5.146 1.00 0.00 H new ATOM 0 HB3 ASP A 42 87.253 -2.613 -3.540 1.00 0.00 H new ATOM 677 N SER A 43 90.464 -3.044 -5.929 1.00 0.00 N ATOM 678 CA SER A 43 91.041 -4.322 -6.448 1.00 0.00 C ATOM 679 C SER A 43 92.546 -4.367 -6.173 1.00 0.00 C ATOM 680 O SER A 43 93.244 -3.383 -6.339 1.00 0.00 O ATOM 681 CB SER A 43 90.768 -4.299 -7.951 1.00 0.00 C ATOM 682 OG SER A 43 89.364 -4.280 -8.173 1.00 0.00 O ATOM 0 H SER A 43 90.882 -2.195 -6.309 1.00 0.00 H new ATOM 0 HA SER A 43 90.604 -5.199 -5.971 1.00 0.00 H new ATOM 0 HB2 SER A 43 91.231 -3.422 -8.403 1.00 0.00 H new ATOM 0 HB3 SER A 43 91.211 -5.174 -8.426 1.00 0.00 H new ATOM 0 HG SER A 43 89.010 -3.393 -7.952 1.00 0.00 H new ATOM 688 N THR A 44 93.047 -5.504 -5.754 1.00 0.00 N ATOM 689 CA THR A 44 94.509 -5.631 -5.466 1.00 0.00 C ATOM 690 C THR A 44 95.080 -6.868 -6.168 1.00 0.00 C ATOM 691 O THR A 44 94.419 -7.884 -6.285 1.00 0.00 O ATOM 692 CB THR A 44 94.612 -5.761 -3.936 1.00 0.00 C ATOM 693 OG1 THR A 44 95.980 -5.871 -3.565 1.00 0.00 O ATOM 694 CG2 THR A 44 93.848 -6.999 -3.446 1.00 0.00 C ATOM 0 H THR A 44 92.503 -6.353 -5.599 1.00 0.00 H new ATOM 0 HA THR A 44 95.079 -4.776 -5.830 1.00 0.00 H new ATOM 0 HB THR A 44 94.172 -4.876 -3.477 1.00 0.00 H new ATOM 0 HG1 THR A 44 96.049 -5.952 -2.591 1.00 0.00 H new ATOM 0 HG21 THR A 44 93.933 -7.073 -2.362 1.00 0.00 H new ATOM 0 HG22 THR A 44 92.797 -6.911 -3.723 1.00 0.00 H new ATOM 0 HG23 THR A 44 94.271 -7.893 -3.905 1.00 0.00 H new ATOM 702 N LYS A 45 96.302 -6.786 -6.633 1.00 0.00 N ATOM 703 CA LYS A 45 96.919 -7.943 -7.349 1.00 0.00 C ATOM 704 C LYS A 45 98.392 -8.090 -6.965 1.00 0.00 C ATOM 705 O LYS A 45 99.097 -7.113 -6.792 1.00 0.00 O ATOM 706 CB LYS A 45 96.783 -7.610 -8.835 1.00 0.00 C ATOM 707 CG LYS A 45 95.333 -7.822 -9.271 1.00 0.00 C ATOM 708 CD LYS A 45 95.216 -7.609 -10.781 1.00 0.00 C ATOM 709 CE LYS A 45 93.748 -7.717 -11.199 1.00 0.00 C ATOM 710 NZ LYS A 45 93.709 -7.204 -12.597 1.00 0.00 N ATOM 0 H LYS A 45 96.900 -5.964 -6.547 1.00 0.00 H new ATOM 0 HA LYS A 45 96.434 -8.885 -7.095 1.00 0.00 H new ATOM 0 HB2 LYS A 45 97.082 -6.578 -9.017 1.00 0.00 H new ATOM 0 HB3 LYS A 45 97.448 -8.243 -9.423 1.00 0.00 H new ATOM 0 HG2 LYS A 45 95.007 -8.829 -9.009 1.00 0.00 H new ATOM 0 HG3 LYS A 45 94.679 -7.128 -8.744 1.00 0.00 H new ATOM 0 HD2 LYS A 45 95.612 -6.630 -11.053 1.00 0.00 H new ATOM 0 HD3 LYS A 45 95.812 -8.352 -11.311 1.00 0.00 H new ATOM 0 HE2 LYS A 45 93.397 -8.748 -11.146 1.00 0.00 H new ATOM 0 HE3 LYS A 45 93.106 -7.128 -10.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 92.733 -7.246 -12.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 94.042 -6.219 -12.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 94.324 -7.788 -13.199 1.00 0.00 H new ATOM 724 N SER A 46 98.856 -9.309 -6.832 1.00 0.00 N ATOM 725 CA SER A 46 100.295 -9.540 -6.509 1.00 0.00 C ATOM 726 C SER A 46 101.046 -9.985 -7.765 1.00 0.00 C ATOM 727 O SER A 46 100.735 -11.005 -8.353 1.00 0.00 O ATOM 728 CB SER A 46 100.292 -10.654 -5.462 1.00 0.00 C ATOM 729 OG SER A 46 99.831 -11.859 -6.058 1.00 0.00 O ATOM 0 H SER A 46 98.296 -10.156 -6.934 1.00 0.00 H new ATOM 0 HA SER A 46 100.789 -8.640 -6.142 1.00 0.00 H new ATOM 0 HB2 SER A 46 101.296 -10.794 -5.061 1.00 0.00 H new ATOM 0 HB3 SER A 46 99.650 -10.380 -4.625 1.00 0.00 H new ATOM 0 HG SER A 46 100.121 -11.893 -6.994 1.00 0.00 H new ATOM 735 N ILE A 47 102.033 -9.226 -8.179 1.00 0.00 N ATOM 736 CA ILE A 47 102.793 -9.580 -9.418 1.00 0.00 C ATOM 737 C ILE A 47 104.294 -9.569 -9.116 1.00 0.00 C ATOM 738 O ILE A 47 104.813 -8.618 -8.560 1.00 0.00 O ATOM 739 CB ILE A 47 102.431 -8.493 -10.446 1.00 0.00 C ATOM 740 CG1 ILE A 47 100.917 -8.498 -10.699 1.00 0.00 C ATOM 741 CG2 ILE A 47 103.157 -8.765 -11.768 1.00 0.00 C ATOM 742 CD1 ILE A 47 100.523 -7.240 -11.476 1.00 0.00 C ATOM 0 H ILE A 47 102.345 -8.375 -7.711 1.00 0.00 H new ATOM 0 HA ILE A 47 102.545 -10.573 -9.792 1.00 0.00 H new ATOM 0 HB ILE A 47 102.734 -7.523 -10.053 1.00 0.00 H new ATOM 0 HG12 ILE A 47 100.635 -9.388 -11.261 1.00 0.00 H new ATOM 0 HG13 ILE A 47 100.380 -8.536 -9.751 1.00 0.00 H new ATOM 0 HG21 ILE A 47 102.897 -7.992 -12.492 1.00 0.00 H new ATOM 0 HG22 ILE A 47 104.234 -8.757 -11.600 1.00 0.00 H new ATOM 0 HG23 ILE A 47 102.857 -9.739 -12.154 1.00 0.00 H new ATOM 0 HD11 ILE A 47 99.448 -7.245 -11.655 1.00 0.00 H new ATOM 0 HD12 ILE A 47 100.791 -6.356 -10.897 1.00 0.00 H new ATOM 0 HD13 ILE A 47 101.050 -7.222 -12.430 1.00 0.00 H new ATOM 754 N VAL A 48 104.991 -10.618 -9.478 1.00 0.00 N ATOM 755 CA VAL A 48 106.466 -10.661 -9.232 1.00 0.00 C ATOM 756 C VAL A 48 107.165 -9.690 -10.191 1.00 0.00 C ATOM 757 O VAL A 48 106.848 -9.629 -11.361 1.00 0.00 O ATOM 758 CB VAL A 48 106.908 -12.111 -9.500 1.00 0.00 C ATOM 759 CG1 VAL A 48 108.392 -12.274 -9.139 1.00 0.00 C ATOM 760 CG2 VAL A 48 106.057 -13.091 -8.668 1.00 0.00 C ATOM 0 H VAL A 48 104.603 -11.445 -9.932 1.00 0.00 H new ATOM 0 HA VAL A 48 106.722 -10.366 -8.215 1.00 0.00 H new ATOM 0 HB VAL A 48 106.766 -12.334 -10.557 1.00 0.00 H new ATOM 0 HG11 VAL A 48 108.702 -13.301 -9.330 1.00 0.00 H new ATOM 0 HG12 VAL A 48 108.991 -11.595 -9.746 1.00 0.00 H new ATOM 0 HG13 VAL A 48 108.538 -12.041 -8.084 1.00 0.00 H new ATOM 0 HG21 VAL A 48 106.380 -14.113 -8.867 1.00 0.00 H new ATOM 0 HG22 VAL A 48 106.181 -12.871 -7.608 1.00 0.00 H new ATOM 0 HG23 VAL A 48 105.007 -12.983 -8.940 1.00 0.00 H new ATOM 770 N THR A 49 108.115 -8.937 -9.697 1.00 0.00 N ATOM 771 CA THR A 49 108.732 -7.847 -10.528 1.00 0.00 C ATOM 772 C THR A 49 109.425 -8.418 -11.771 1.00 0.00 C ATOM 773 O THR A 49 109.587 -7.731 -12.764 1.00 0.00 O ATOM 774 CB THR A 49 109.757 -7.144 -9.624 1.00 0.00 C ATOM 775 OG1 THR A 49 110.756 -8.073 -9.220 1.00 0.00 O ATOM 776 CG2 THR A 49 109.061 -6.556 -8.389 1.00 0.00 C ATOM 0 H THR A 49 108.493 -9.027 -8.754 1.00 0.00 H new ATOM 0 HA THR A 49 107.968 -7.156 -10.884 1.00 0.00 H new ATOM 0 HB THR A 49 110.224 -6.333 -10.182 1.00 0.00 H new ATOM 0 HG1 THR A 49 110.357 -8.746 -8.629 1.00 0.00 H new ATOM 0 HG21 THR A 49 109.798 -6.061 -7.757 1.00 0.00 H new ATOM 0 HG22 THR A 49 108.309 -5.832 -8.705 1.00 0.00 H new ATOM 0 HG23 THR A 49 108.580 -7.356 -7.827 1.00 0.00 H new ATOM 784 N LYS A 50 109.835 -9.663 -11.729 1.00 0.00 N ATOM 785 CA LYS A 50 110.609 -10.245 -12.878 1.00 0.00 C ATOM 786 C LYS A 50 109.793 -10.178 -14.175 1.00 0.00 C ATOM 787 O LYS A 50 110.348 -10.148 -15.258 1.00 0.00 O ATOM 788 CB LYS A 50 110.890 -11.708 -12.499 1.00 0.00 C ATOM 789 CG LYS A 50 111.776 -11.780 -11.246 1.00 0.00 C ATOM 790 CD LYS A 50 111.903 -13.239 -10.798 1.00 0.00 C ATOM 791 CE LYS A 50 112.660 -13.301 -9.469 1.00 0.00 C ATOM 792 NZ LYS A 50 112.272 -14.607 -8.868 1.00 0.00 N ATOM 0 H LYS A 50 109.669 -10.302 -10.952 1.00 0.00 H new ATOM 0 HA LYS A 50 111.530 -9.690 -13.055 1.00 0.00 H new ATOM 0 HB2 LYS A 50 109.950 -12.229 -12.317 1.00 0.00 H new ATOM 0 HB3 LYS A 50 111.381 -12.217 -13.328 1.00 0.00 H new ATOM 0 HG2 LYS A 50 112.762 -11.366 -11.459 1.00 0.00 H new ATOM 0 HG3 LYS A 50 111.344 -11.178 -10.446 1.00 0.00 H new ATOM 0 HD2 LYS A 50 110.914 -13.684 -10.686 1.00 0.00 H new ATOM 0 HD3 LYS A 50 112.430 -13.819 -11.556 1.00 0.00 H new ATOM 0 HE2 LYS A 50 113.737 -13.242 -9.625 1.00 0.00 H new ATOM 0 HE3 LYS A 50 112.386 -12.470 -8.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 112.751 -14.724 -7.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 111.242 -14.631 -8.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 112.551 -15.379 -9.506 1.00 0.00 H new ATOM 806 N ASP A 51 108.485 -10.154 -14.075 1.00 0.00 N ATOM 807 CA ASP A 51 107.647 -10.002 -15.307 1.00 0.00 C ATOM 808 C ASP A 51 107.410 -8.516 -15.642 1.00 0.00 C ATOM 809 O ASP A 51 106.594 -8.198 -16.488 1.00 0.00 O ATOM 810 CB ASP A 51 106.320 -10.726 -15.012 1.00 0.00 C ATOM 811 CG ASP A 51 105.612 -10.115 -13.795 1.00 0.00 C ATOM 812 OD1 ASP A 51 105.429 -8.910 -13.775 1.00 0.00 O ATOM 813 OD2 ASP A 51 105.260 -10.871 -12.905 1.00 0.00 O ATOM 0 H ASP A 51 107.965 -10.232 -13.201 1.00 0.00 H new ATOM 0 HA ASP A 51 108.145 -10.430 -16.177 1.00 0.00 H new ATOM 0 HB2 ASP A 51 105.668 -10.665 -15.883 1.00 0.00 H new ATOM 0 HB3 ASP A 51 106.512 -11.784 -14.831 1.00 0.00 H new ATOM 818 N ILE A 52 108.110 -7.605 -14.992 1.00 0.00 N ATOM 819 CA ILE A 52 108.009 -6.162 -15.390 1.00 0.00 C ATOM 820 C ILE A 52 108.821 -5.917 -16.667 1.00 0.00 C ATOM 821 O ILE A 52 110.034 -6.011 -16.666 1.00 0.00 O ATOM 822 CB ILE A 52 108.594 -5.359 -14.213 1.00 0.00 C ATOM 823 CG1 ILE A 52 107.714 -5.561 -12.968 1.00 0.00 C ATOM 824 CG2 ILE A 52 108.655 -3.858 -14.571 1.00 0.00 C ATOM 825 CD1 ILE A 52 108.359 -4.874 -11.757 1.00 0.00 C ATOM 0 H ILE A 52 108.739 -7.799 -14.213 1.00 0.00 H new ATOM 0 HA ILE A 52 106.980 -5.866 -15.597 1.00 0.00 H new ATOM 0 HB ILE A 52 109.604 -5.712 -14.007 1.00 0.00 H new ATOM 0 HG12 ILE A 52 106.720 -5.150 -13.144 1.00 0.00 H new ATOM 0 HG13 ILE A 52 107.588 -6.625 -12.769 1.00 0.00 H new ATOM 0 HG21 ILE A 52 109.070 -3.300 -13.732 1.00 0.00 H new ATOM 0 HG22 ILE A 52 109.288 -3.718 -15.448 1.00 0.00 H new ATOM 0 HG23 ILE A 52 107.650 -3.494 -14.787 1.00 0.00 H new ATOM 0 HD11 ILE A 52 107.731 -5.021 -10.878 1.00 0.00 H new ATOM 0 HD12 ILE A 52 109.343 -5.305 -11.576 1.00 0.00 H new ATOM 0 HD13 ILE A 52 108.461 -3.807 -11.956 1.00 0.00 H new ATOM 837 N LYS A 53 108.153 -5.608 -17.752 1.00 0.00 N ATOM 838 CA LYS A 53 108.885 -5.178 -18.985 1.00 0.00 C ATOM 839 C LYS A 53 109.256 -3.696 -18.885 1.00 0.00 C ATOM 840 O LYS A 53 110.331 -3.291 -19.290 1.00 0.00 O ATOM 841 CB LYS A 53 107.913 -5.412 -20.144 1.00 0.00 C ATOM 842 CG LYS A 53 108.613 -5.124 -21.477 1.00 0.00 C ATOM 843 CD LYS A 53 109.622 -6.235 -21.776 1.00 0.00 C ATOM 844 CE LYS A 53 110.256 -5.991 -23.147 1.00 0.00 C ATOM 845 NZ LYS A 53 111.478 -6.844 -23.162 1.00 0.00 N ATOM 0 H LYS A 53 107.137 -5.635 -17.837 1.00 0.00 H new ATOM 0 HA LYS A 53 109.813 -5.733 -19.124 1.00 0.00 H new ATOM 0 HB2 LYS A 53 107.554 -6.441 -20.127 1.00 0.00 H new ATOM 0 HB3 LYS A 53 107.041 -4.768 -20.034 1.00 0.00 H new ATOM 0 HG2 LYS A 53 107.878 -5.061 -22.279 1.00 0.00 H new ATOM 0 HG3 LYS A 53 109.120 -4.160 -21.432 1.00 0.00 H new ATOM 0 HD2 LYS A 53 110.393 -6.258 -21.006 1.00 0.00 H new ATOM 0 HD3 LYS A 53 109.126 -7.206 -21.760 1.00 0.00 H new ATOM 0 HE2 LYS A 53 109.574 -6.264 -23.952 1.00 0.00 H new ATOM 0 HE3 LYS A 53 110.507 -4.939 -23.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 111.969 -6.731 -24.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 112.112 -6.557 -22.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 111.208 -7.840 -23.036 1.00 0.00 H new ATOM 859 N ASP A 54 108.374 -2.886 -18.348 1.00 0.00 N ATOM 860 CA ASP A 54 108.624 -1.404 -18.336 1.00 0.00 C ATOM 861 C ASP A 54 107.890 -0.737 -17.170 1.00 0.00 C ATOM 862 O ASP A 54 106.812 -1.149 -16.792 1.00 0.00 O ATOM 863 CB ASP A 54 108.076 -0.889 -19.668 1.00 0.00 C ATOM 864 CG ASP A 54 108.986 -1.342 -20.813 1.00 0.00 C ATOM 865 OD1 ASP A 54 110.187 -1.169 -20.691 1.00 0.00 O ATOM 866 OD2 ASP A 54 108.465 -1.854 -21.789 1.00 0.00 O ATOM 0 H ASP A 54 107.497 -3.182 -17.920 1.00 0.00 H new ATOM 0 HA ASP A 54 109.683 -1.179 -18.212 1.00 0.00 H new ATOM 0 HB2 ASP A 54 107.065 -1.264 -19.825 1.00 0.00 H new ATOM 0 HB3 ASP A 54 108.013 0.199 -19.650 1.00 0.00 H new ATOM 871 N LEU A 55 108.473 0.296 -16.604 1.00 0.00 N ATOM 872 CA LEU A 55 107.858 0.960 -15.412 1.00 0.00 C ATOM 873 C LEU A 55 107.688 2.464 -15.652 1.00 0.00 C ATOM 874 O LEU A 55 108.511 3.094 -16.292 1.00 0.00 O ATOM 875 CB LEU A 55 108.851 0.729 -14.271 1.00 0.00 C ATOM 876 CG LEU A 55 108.781 -0.726 -13.805 1.00 0.00 C ATOM 877 CD1 LEU A 55 110.128 -1.141 -13.206 1.00 0.00 C ATOM 878 CD2 LEU A 55 107.690 -0.871 -12.741 1.00 0.00 C ATOM 0 H LEU A 55 109.351 0.708 -16.919 1.00 0.00 H new ATOM 0 HA LEU A 55 106.869 0.557 -15.196 1.00 0.00 H new ATOM 0 HB2 LEU A 55 109.862 0.965 -14.604 1.00 0.00 H new ATOM 0 HB3 LEU A 55 108.625 1.397 -13.440 1.00 0.00 H new ATOM 0 HG LEU A 55 108.549 -1.365 -14.657 1.00 0.00 H new ATOM 0 HD11 LEU A 55 110.075 -2.178 -12.875 1.00 0.00 H new ATOM 0 HD12 LEU A 55 110.908 -1.040 -13.961 1.00 0.00 H new ATOM 0 HD13 LEU A 55 110.361 -0.500 -12.356 1.00 0.00 H new ATOM 0 HD21 LEU A 55 107.641 -1.908 -12.409 1.00 0.00 H new ATOM 0 HD22 LEU A 55 107.923 -0.229 -11.891 1.00 0.00 H new ATOM 0 HD23 LEU A 55 106.729 -0.579 -13.164 1.00 0.00 H new ATOM 890 N ARG A 56 106.626 3.039 -15.142 1.00 0.00 N ATOM 891 CA ARG A 56 106.474 4.528 -15.178 1.00 0.00 C ATOM 892 C ARG A 56 105.688 5.009 -13.950 1.00 0.00 C ATOM 893 O ARG A 56 104.970 4.248 -13.328 1.00 0.00 O ATOM 894 CB ARG A 56 105.712 4.831 -16.479 1.00 0.00 C ATOM 895 CG ARG A 56 104.302 4.228 -16.430 1.00 0.00 C ATOM 896 CD ARG A 56 103.529 4.601 -17.700 1.00 0.00 C ATOM 897 NE ARG A 56 104.149 3.787 -18.794 1.00 0.00 N ATOM 898 CZ ARG A 56 105.112 4.263 -19.565 1.00 0.00 C ATOM 899 NH1 ARG A 56 105.613 5.466 -19.393 1.00 0.00 N ATOM 900 NH2 ARG A 56 105.586 3.510 -20.520 1.00 0.00 N ATOM 0 H ARG A 56 105.854 2.539 -14.700 1.00 0.00 H new ATOM 0 HA ARG A 56 107.435 5.042 -15.155 1.00 0.00 H new ATOM 0 HB2 ARG A 56 105.648 5.909 -16.627 1.00 0.00 H new ATOM 0 HB3 ARG A 56 106.258 4.424 -17.330 1.00 0.00 H new ATOM 0 HG2 ARG A 56 104.364 3.144 -16.337 1.00 0.00 H new ATOM 0 HG3 ARG A 56 103.771 4.593 -15.551 1.00 0.00 H new ATOM 0 HD2 ARG A 56 102.468 4.375 -17.595 1.00 0.00 H new ATOM 0 HD3 ARG A 56 103.609 5.668 -17.910 1.00 0.00 H new ATOM 0 HE ARG A 56 103.818 2.835 -18.949 1.00 0.00 H new ATOM 0 HH11 ARG A 56 105.259 6.064 -18.646 1.00 0.00 H new ATOM 0 HH12 ARG A 56 106.356 5.802 -20.006 1.00 0.00 H new ATOM 0 HH21 ARG A 56 105.213 2.571 -20.662 1.00 0.00 H new ATOM 0 HH22 ARG A 56 106.329 3.860 -21.125 1.00 0.00 H new ATOM 914 N ILE A 57 105.822 6.265 -13.602 1.00 0.00 N ATOM 915 CA ILE A 57 105.005 6.836 -12.485 1.00 0.00 C ATOM 916 C ILE A 57 104.060 7.905 -13.045 1.00 0.00 C ATOM 917 O ILE A 57 104.479 8.792 -13.767 1.00 0.00 O ATOM 918 CB ILE A 57 106.015 7.452 -11.503 1.00 0.00 C ATOM 919 CG1 ILE A 57 106.991 6.371 -11.012 1.00 0.00 C ATOM 920 CG2 ILE A 57 105.269 8.034 -10.297 1.00 0.00 C ATOM 921 CD1 ILE A 57 108.138 7.022 -10.235 1.00 0.00 C ATOM 0 H ILE A 57 106.464 6.922 -14.045 1.00 0.00 H new ATOM 0 HA ILE A 57 104.390 6.085 -11.989 1.00 0.00 H new ATOM 0 HB ILE A 57 106.569 8.241 -12.012 1.00 0.00 H new ATOM 0 HG12 ILE A 57 106.468 5.657 -10.376 1.00 0.00 H new ATOM 0 HG13 ILE A 57 107.386 5.812 -11.860 1.00 0.00 H new ATOM 0 HG21 ILE A 57 105.986 8.470 -9.602 1.00 0.00 H new ATOM 0 HG22 ILE A 57 104.576 8.805 -10.635 1.00 0.00 H new ATOM 0 HG23 ILE A 57 104.714 7.241 -9.796 1.00 0.00 H new ATOM 0 HD11 ILE A 57 108.827 6.251 -9.889 1.00 0.00 H new ATOM 0 HD12 ILE A 57 108.669 7.718 -10.885 1.00 0.00 H new ATOM 0 HD13 ILE A 57 107.736 7.561 -9.377 1.00 0.00 H new ATOM 933 N LEU A 58 102.791 7.826 -12.719 1.00 0.00 N ATOM 934 CA LEU A 58 101.797 8.769 -13.329 1.00 0.00 C ATOM 935 C LEU A 58 102.055 10.205 -12.836 1.00 0.00 C ATOM 936 O LEU A 58 102.471 10.394 -11.710 1.00 0.00 O ATOM 937 CB LEU A 58 100.418 8.283 -12.863 1.00 0.00 C ATOM 938 CG LEU A 58 100.144 6.876 -13.409 1.00 0.00 C ATOM 939 CD1 LEU A 58 98.846 6.341 -12.801 1.00 0.00 C ATOM 940 CD2 LEU A 58 100.009 6.925 -14.935 1.00 0.00 C ATOM 0 H LEU A 58 102.401 7.152 -12.060 1.00 0.00 H new ATOM 0 HA LEU A 58 101.869 8.783 -14.417 1.00 0.00 H new ATOM 0 HB2 LEU A 58 100.376 8.274 -11.774 1.00 0.00 H new ATOM 0 HB3 LEU A 58 99.646 8.972 -13.206 1.00 0.00 H new ATOM 0 HG LEU A 58 100.973 6.220 -13.144 1.00 0.00 H new ATOM 0 HD11 LEU A 58 98.648 5.341 -13.187 1.00 0.00 H new ATOM 0 HD12 LEU A 58 98.943 6.298 -11.716 1.00 0.00 H new ATOM 0 HD13 LEU A 58 98.021 7.002 -13.066 1.00 0.00 H new ATOM 0 HD21 LEU A 58 99.815 5.922 -15.315 1.00 0.00 H new ATOM 0 HD22 LEU A 58 99.183 7.583 -15.206 1.00 0.00 H new ATOM 0 HD23 LEU A 58 100.933 7.305 -15.370 1.00 0.00 H new