USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 847 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 Single : A 18 SER OG : rot 180:sc=-0.00611 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -7.55! C(o=-7.6!,f=-3.4!) USER MOD Single : A 38 THR OG1 : rot -170:sc= -0.42 USER MOD Single : A 40 SER OG : rot -170:sc= 0 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -3.63! C(o=-3.6!,f=-13!) USER MOD Single : A 62 ASN : amide:sc= -0.0492 K(o=-0.049,f=-1.5) USER MOD Single : A 68 SER OG : rot -81:sc= -4.11! USER MOD Single : A 69 TYR OH : rot -165:sc= -0.456 USER MOD Single : A 79 ASN : amide:sc= -7.2! C(o=-7.2!,f=-4.9!) USER MOD Single : A 86 THR OG1 : rot -166:sc= -0.695 USER MOD Single : A 88 TYR OH : rot 130:sc= -1.13 USER MOD Single : A 90 SER OG : rot 173:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 147:sc= -2.29! USER MOD Single : A 97 TYR OH : rot 95:sc= 0.832 USER MOD Single : A 98 SER OG : rot 180:sc= -0.46 USER MOD Single : A 99 ASN : amide:sc= -1.01 K(o=-1,f=0) USER MOD Single : A 104 THR OG1 : rot -51:sc= 0.12 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 42:sc= -9.78! USER MOD ----------------------------------------------------------------- ATOM 108 N ARG A 8 4.253 13.578 6.953 1.00 0.00 N ATOM 109 CA ARG A 8 4.658 12.725 5.801 1.00 0.00 C ATOM 110 C ARG A 8 3.990 11.352 5.910 1.00 0.00 C ATOM 111 O ARG A 8 4.198 10.629 6.864 1.00 0.00 O ATOM 112 CB ARG A 8 6.178 12.594 5.922 1.00 0.00 C ATOM 113 CG ARG A 8 6.829 13.944 5.621 1.00 0.00 C ATOM 114 CD ARG A 8 6.546 14.335 4.170 1.00 0.00 C ATOM 115 NE ARG A 8 7.576 15.358 3.846 1.00 0.00 N ATOM 116 CZ ARG A 8 8.203 15.313 2.703 1.00 0.00 C ATOM 117 NH1 ARG A 8 7.562 14.973 1.619 1.00 0.00 N ATOM 118 NH2 ARG A 8 9.473 15.606 2.646 1.00 0.00 N ATOM 0 HA ARG A 8 4.362 13.151 4.842 1.00 0.00 H new ATOM 0 HB2 ARG A 8 6.447 12.264 6.925 1.00 0.00 H new ATOM 0 HB3 ARG A 8 6.545 11.838 5.228 1.00 0.00 H new ATOM 0 HG2 ARG A 8 6.440 14.706 6.296 1.00 0.00 H new ATOM 0 HG3 ARG A 8 7.904 13.887 5.790 1.00 0.00 H new ATOM 0 HD2 ARG A 8 6.621 13.474 3.506 1.00 0.00 H new ATOM 0 HD3 ARG A 8 5.539 14.737 4.058 1.00 0.00 H new ATOM 0 HE ARG A 8 7.792 16.095 4.518 1.00 0.00 H new ATOM 0 HH11 ARG A 8 6.570 14.742 1.665 1.00 0.00 H new ATOM 0 HH12 ARG A 8 8.053 14.938 0.726 1.00 0.00 H new ATOM 0 HH21 ARG A 8 9.974 15.870 3.494 1.00 0.00 H new ATOM 0 HH22 ARG A 8 9.965 15.571 1.753 1.00 0.00 H new ATOM 132 N LEU A 9 3.198 10.977 4.941 1.00 0.00 N ATOM 133 CA LEU A 9 2.542 9.651 5.006 1.00 0.00 C ATOM 134 C LEU A 9 3.446 8.622 4.338 1.00 0.00 C ATOM 135 O LEU A 9 4.171 8.931 3.414 1.00 0.00 O ATOM 136 CB LEU A 9 1.220 9.808 4.249 1.00 0.00 C ATOM 137 CG LEU A 9 0.085 10.094 5.241 1.00 0.00 C ATOM 138 CD1 LEU A 9 -0.323 8.795 5.940 1.00 0.00 C ATOM 139 CD2 LEU A 9 0.554 11.107 6.290 1.00 0.00 C ATOM 0 H LEU A 9 2.981 11.533 4.113 1.00 0.00 H new ATOM 0 HA LEU A 9 2.361 9.314 6.027 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.298 10.621 3.527 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.003 8.901 3.685 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.768 10.503 4.699 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.129 8.999 6.645 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.664 8.074 5.197 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.533 8.386 6.477 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.256 11.306 6.991 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.410 10.702 6.830 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.842 12.035 5.796 1.00 0.00 H new ATOM 151 N ARG A 10 3.437 7.410 4.804 1.00 0.00 N ATOM 152 CA ARG A 10 4.329 6.395 4.192 1.00 0.00 C ATOM 153 C ARG A 10 3.509 5.323 3.471 1.00 0.00 C ATOM 154 O ARG A 10 2.539 4.808 3.992 1.00 0.00 O ATOM 155 CB ARG A 10 5.102 5.796 5.366 1.00 0.00 C ATOM 156 CG ARG A 10 6.156 6.796 5.852 1.00 0.00 C ATOM 157 CD ARG A 10 5.499 7.846 6.755 1.00 0.00 C ATOM 158 NE ARG A 10 5.922 7.487 8.136 1.00 0.00 N ATOM 159 CZ ARG A 10 5.167 7.810 9.150 1.00 0.00 C ATOM 160 NH1 ARG A 10 4.469 8.914 9.115 1.00 0.00 N ATOM 161 NH2 ARG A 10 5.105 7.027 10.195 1.00 0.00 N ATOM 0 H ARG A 10 2.857 7.080 5.575 1.00 0.00 H new ATOM 0 HA ARG A 10 4.995 6.826 3.444 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.417 5.551 6.178 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.582 4.866 5.062 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.941 6.274 6.398 1.00 0.00 H new ATOM 0 HG3 ARG A 10 6.630 7.282 4.999 1.00 0.00 H new ATOM 0 HD2 ARG A 10 5.825 8.852 6.492 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.414 7.827 6.657 1.00 0.00 H new ATOM 0 HE ARG A 10 6.799 6.990 8.289 1.00 0.00 H new ATOM 0 HH11 ARG A 10 4.515 9.521 8.296 1.00 0.00 H new ATOM 0 HH12 ARG A 10 3.878 9.169 9.906 1.00 0.00 H new ATOM 0 HH21 ARG A 10 5.647 6.163 10.218 1.00 0.00 H new ATOM 0 HH22 ARG A 10 4.515 7.280 10.987 1.00 0.00 H new ATOM 175 N VAL A 11 3.889 4.986 2.271 1.00 0.00 N ATOM 176 CA VAL A 11 3.126 3.955 1.515 1.00 0.00 C ATOM 177 C VAL A 11 4.061 2.861 0.996 1.00 0.00 C ATOM 178 O VAL A 11 4.804 3.056 0.054 1.00 0.00 O ATOM 179 CB VAL A 11 2.491 4.716 0.354 1.00 0.00 C ATOM 180 CG1 VAL A 11 1.587 5.816 0.907 1.00 0.00 C ATOM 181 CG2 VAL A 11 3.588 5.345 -0.503 1.00 0.00 C ATOM 0 H VAL A 11 4.693 5.379 1.782 1.00 0.00 H new ATOM 0 HA VAL A 11 2.383 3.455 2.137 1.00 0.00 H new ATOM 0 HB VAL A 11 1.903 4.029 -0.255 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.131 6.362 0.081 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.805 5.370 1.522 1.00 0.00 H new ATOM 0 HG13 VAL A 11 2.178 6.502 1.513 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.135 5.889 -1.332 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.175 6.034 0.105 1.00 0.00 H new ATOM 0 HG23 VAL A 11 4.238 4.562 -0.894 1.00 0.00 H new ATOM 191 N LEU A 12 4.019 1.709 1.602 1.00 0.00 N ATOM 192 CA LEU A 12 4.889 0.590 1.147 1.00 0.00 C ATOM 193 C LEU A 12 4.095 -0.305 0.192 1.00 0.00 C ATOM 194 O LEU A 12 3.273 -1.094 0.614 1.00 0.00 O ATOM 195 CB LEU A 12 5.252 -0.174 2.425 1.00 0.00 C ATOM 196 CG LEU A 12 6.376 0.551 3.177 1.00 0.00 C ATOM 197 CD1 LEU A 12 7.714 0.283 2.488 1.00 0.00 C ATOM 198 CD2 LEU A 12 6.106 2.059 3.194 1.00 0.00 C ATOM 0 H LEU A 12 3.417 1.493 2.397 1.00 0.00 H new ATOM 0 HA LEU A 12 5.779 0.930 0.617 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.375 -0.262 3.066 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.567 -1.187 2.174 1.00 0.00 H new ATOM 0 HG LEU A 12 6.413 0.180 4.201 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.510 0.800 3.025 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.914 -0.789 2.486 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.674 0.647 1.461 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.908 2.566 3.730 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.060 2.432 2.171 1.00 0.00 H new ATOM 0 HD23 LEU A 12 5.157 2.253 3.694 1.00 0.00 H new ATOM 210 N VAL A 13 4.316 -0.186 -1.092 1.00 0.00 N ATOM 211 CA VAL A 13 3.545 -1.034 -2.046 1.00 0.00 C ATOM 212 C VAL A 13 4.468 -2.007 -2.779 1.00 0.00 C ATOM 213 O VAL A 13 5.588 -1.679 -3.112 1.00 0.00 O ATOM 214 CB VAL A 13 2.907 -0.052 -3.029 1.00 0.00 C ATOM 215 CG1 VAL A 13 1.887 -0.794 -3.890 1.00 0.00 C ATOM 216 CG2 VAL A 13 2.199 1.063 -2.257 1.00 0.00 C ATOM 0 H VAL A 13 4.988 0.453 -1.516 1.00 0.00 H new ATOM 0 HA VAL A 13 2.799 -1.643 -1.534 1.00 0.00 H new ATOM 0 HB VAL A 13 3.681 0.381 -3.662 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.429 -0.098 -4.593 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.387 -1.590 -4.442 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.116 -1.224 -3.251 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.745 1.761 -2.960 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.424 0.631 -1.623 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.922 1.592 -1.636 1.00 0.00 H new ATOM 226 N VAL A 14 4.008 -3.208 -3.028 1.00 0.00 N ATOM 227 CA VAL A 14 4.867 -4.203 -3.731 1.00 0.00 C ATOM 228 C VAL A 14 4.012 -5.337 -4.342 1.00 0.00 C ATOM 229 O VAL A 14 2.895 -5.552 -3.919 1.00 0.00 O ATOM 230 CB VAL A 14 5.767 -4.764 -2.625 1.00 0.00 C ATOM 231 CG1 VAL A 14 6.838 -3.743 -2.216 1.00 0.00 C ATOM 232 CG2 VAL A 14 4.921 -5.115 -1.405 1.00 0.00 C ATOM 0 H VAL A 14 3.077 -3.539 -2.775 1.00 0.00 H new ATOM 0 HA VAL A 14 5.426 -3.757 -4.554 1.00 0.00 H new ATOM 0 HB VAL A 14 6.262 -5.656 -3.009 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.463 -4.166 -1.430 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.457 -3.499 -3.080 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.356 -2.837 -1.848 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.563 -5.514 -0.620 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.417 -4.219 -1.042 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.178 -5.863 -1.681 1.00 0.00 H new ATOM 242 N GLU A 15 4.567 -6.054 -5.319 1.00 0.00 N ATOM 243 CA GLU A 15 3.881 -7.221 -6.011 1.00 0.00 C ATOM 244 C GLU A 15 3.406 -6.862 -7.416 1.00 0.00 C ATOM 245 O GLU A 15 2.224 -6.838 -7.700 1.00 0.00 O ATOM 246 CB GLU A 15 2.715 -7.690 -5.146 1.00 0.00 C ATOM 247 CG GLU A 15 3.272 -8.230 -3.830 1.00 0.00 C ATOM 248 CD GLU A 15 3.750 -9.668 -4.043 1.00 0.00 C ATOM 249 OE1 GLU A 15 2.908 -10.530 -4.236 1.00 0.00 O ATOM 250 OE2 GLU A 15 4.950 -9.883 -4.014 1.00 0.00 O ATOM 0 H GLU A 15 5.504 -5.868 -5.676 1.00 0.00 H new ATOM 0 HA GLU A 15 4.605 -8.027 -6.129 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.029 -6.865 -4.956 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.148 -8.464 -5.663 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.097 -7.606 -3.486 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.505 -8.199 -3.056 1.00 0.00 H new ATOM 257 N ASP A 16 4.336 -6.638 -8.305 1.00 0.00 N ATOM 258 CA ASP A 16 3.986 -6.332 -9.724 1.00 0.00 C ATOM 259 C ASP A 16 5.224 -5.862 -10.494 1.00 0.00 C ATOM 260 O ASP A 16 5.128 -5.061 -11.401 1.00 0.00 O ATOM 261 CB ASP A 16 2.938 -5.220 -9.685 1.00 0.00 C ATOM 262 CG ASP A 16 1.774 -5.586 -10.603 1.00 0.00 C ATOM 263 OD1 ASP A 16 1.759 -6.704 -11.086 1.00 0.00 O ATOM 264 OD2 ASP A 16 0.923 -4.738 -10.815 1.00 0.00 O ATOM 0 H ASP A 16 5.336 -6.654 -8.106 1.00 0.00 H new ATOM 0 HA ASP A 16 3.604 -7.219 -10.230 1.00 0.00 H new ATOM 0 HB2 ASP A 16 2.580 -5.078 -8.665 1.00 0.00 H new ATOM 0 HB3 ASP A 16 3.382 -4.276 -10.001 1.00 0.00 H new ATOM 269 N GLU A 17 6.379 -6.358 -10.138 1.00 0.00 N ATOM 270 CA GLU A 17 7.633 -5.951 -10.838 1.00 0.00 C ATOM 271 C GLU A 17 7.588 -4.471 -11.263 1.00 0.00 C ATOM 272 O GLU A 17 7.323 -3.598 -10.460 1.00 0.00 O ATOM 273 CB GLU A 17 7.724 -6.872 -12.054 1.00 0.00 C ATOM 274 CG GLU A 17 9.190 -6.993 -12.480 1.00 0.00 C ATOM 275 CD GLU A 17 9.459 -8.406 -13.001 1.00 0.00 C ATOM 276 OE1 GLU A 17 8.606 -8.932 -13.696 1.00 0.00 O ATOM 277 OE2 GLU A 17 10.514 -8.938 -12.697 1.00 0.00 O ATOM 0 H GLU A 17 6.509 -7.034 -9.385 1.00 0.00 H new ATOM 0 HA GLU A 17 8.504 -6.043 -10.190 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.320 -7.855 -11.813 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.126 -6.474 -12.873 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.416 -6.260 -13.255 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.844 -6.776 -11.635 1.00 0.00 H new ATOM 284 N SER A 18 7.869 -4.179 -12.511 1.00 0.00 N ATOM 285 CA SER A 18 7.868 -2.756 -12.973 1.00 0.00 C ATOM 286 C SER A 18 6.445 -2.236 -13.221 1.00 0.00 C ATOM 287 O SER A 18 6.253 -1.074 -13.522 1.00 0.00 O ATOM 288 CB SER A 18 8.667 -2.776 -14.277 1.00 0.00 C ATOM 289 OG SER A 18 7.877 -2.235 -15.328 1.00 0.00 O ATOM 0 H SER A 18 8.099 -4.866 -13.229 1.00 0.00 H new ATOM 0 HA SER A 18 8.297 -2.091 -12.223 1.00 0.00 H new ATOM 0 HB2 SER A 18 9.584 -2.198 -14.163 1.00 0.00 H new ATOM 0 HB3 SER A 18 8.962 -3.797 -14.519 1.00 0.00 H new ATOM 0 HG SER A 18 8.391 -2.247 -16.163 1.00 0.00 H new ATOM 295 N MET A 19 5.445 -3.063 -13.092 1.00 0.00 N ATOM 296 CA MET A 19 4.053 -2.565 -13.320 1.00 0.00 C ATOM 297 C MET A 19 3.625 -1.714 -12.129 1.00 0.00 C ATOM 298 O MET A 19 3.036 -0.661 -12.273 1.00 0.00 O ATOM 299 CB MET A 19 3.151 -3.804 -13.415 1.00 0.00 C ATOM 300 CG MET A 19 3.887 -4.967 -14.079 1.00 0.00 C ATOM 301 SD MET A 19 4.728 -4.387 -15.575 1.00 0.00 S ATOM 302 CE MET A 19 4.205 -5.731 -16.671 1.00 0.00 C ATOM 0 H MET A 19 5.525 -4.049 -12.842 1.00 0.00 H new ATOM 0 HA MET A 19 3.988 -1.961 -14.225 1.00 0.00 H new ATOM 0 HB2 MET A 19 2.824 -4.098 -12.418 1.00 0.00 H new ATOM 0 HB3 MET A 19 2.254 -3.563 -13.986 1.00 0.00 H new ATOM 0 HG2 MET A 19 4.612 -5.394 -13.386 1.00 0.00 H new ATOM 0 HG3 MET A 19 3.182 -5.759 -14.331 1.00 0.00 H new ATOM 0 HE1 MET A 19 4.619 -5.571 -17.666 1.00 0.00 H new ATOM 0 HE2 MET A 19 4.564 -6.682 -16.277 1.00 0.00 H new ATOM 0 HE3 MET A 19 3.117 -5.750 -16.730 1.00 0.00 H new ATOM 312 N ILE A 20 3.920 -2.181 -10.951 1.00 0.00 N ATOM 313 CA ILE A 20 3.540 -1.433 -9.719 1.00 0.00 C ATOM 314 C ILE A 20 4.443 -0.215 -9.543 1.00 0.00 C ATOM 315 O ILE A 20 4.081 0.764 -8.921 1.00 0.00 O ATOM 316 CB ILE A 20 3.747 -2.426 -8.570 1.00 0.00 C ATOM 317 CG1 ILE A 20 3.645 -1.708 -7.220 1.00 0.00 C ATOM 318 CG2 ILE A 20 5.124 -3.081 -8.676 1.00 0.00 C ATOM 319 CD1 ILE A 20 2.711 -2.493 -6.285 1.00 0.00 C ATOM 0 H ILE A 20 4.413 -3.058 -10.785 1.00 0.00 H new ATOM 0 HA ILE A 20 2.515 -1.066 -9.759 1.00 0.00 H new ATOM 0 HB ILE A 20 2.972 -3.189 -8.639 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.634 -1.617 -6.770 1.00 0.00 H new ATOM 0 HG13 ILE A 20 3.266 -0.696 -7.363 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.257 -3.784 -7.853 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.202 -3.613 -9.624 1.00 0.00 H new ATOM 0 HG23 ILE A 20 5.897 -2.314 -8.626 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.641 -1.980 -5.326 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.720 -2.561 -6.734 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.109 -3.496 -6.131 1.00 0.00 H new ATOM 331 N ALA A 21 5.618 -0.280 -10.088 1.00 0.00 N ATOM 332 CA ALA A 21 6.572 0.851 -9.970 1.00 0.00 C ATOM 333 C ALA A 21 5.897 2.181 -10.332 1.00 0.00 C ATOM 334 O ALA A 21 5.272 2.808 -9.503 1.00 0.00 O ATOM 335 CB ALA A 21 7.658 0.498 -10.971 1.00 0.00 C ATOM 0 H ALA A 21 5.964 -1.080 -10.618 1.00 0.00 H new ATOM 0 HA ALA A 21 6.954 0.984 -8.958 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.423 1.274 -10.967 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.108 -0.456 -10.698 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.223 0.422 -11.968 1.00 0.00 H new ATOM 341 N MET A 22 6.016 2.620 -11.559 1.00 0.00 N ATOM 342 CA MET A 22 5.375 3.911 -11.955 1.00 0.00 C ATOM 343 C MET A 22 3.983 4.014 -11.329 1.00 0.00 C ATOM 344 O MET A 22 3.482 5.089 -11.062 1.00 0.00 O ATOM 345 CB MET A 22 5.276 3.851 -13.480 1.00 0.00 C ATOM 346 CG MET A 22 4.977 5.246 -14.029 1.00 0.00 C ATOM 347 SD MET A 22 5.786 5.444 -15.636 1.00 0.00 S ATOM 348 CE MET A 22 4.441 6.325 -16.464 1.00 0.00 C ATOM 0 H MET A 22 6.527 2.143 -12.302 1.00 0.00 H new ATOM 0 HA MET A 22 5.942 4.779 -11.619 1.00 0.00 H new ATOM 0 HB2 MET A 22 6.209 3.476 -13.901 1.00 0.00 H new ATOM 0 HB3 MET A 22 4.490 3.156 -13.777 1.00 0.00 H new ATOM 0 HG2 MET A 22 3.901 5.386 -14.131 1.00 0.00 H new ATOM 0 HG3 MET A 22 5.333 6.007 -13.334 1.00 0.00 H new ATOM 0 HE1 MET A 22 4.732 6.551 -17.490 1.00 0.00 H new ATOM 0 HE2 MET A 22 3.547 5.702 -16.469 1.00 0.00 H new ATOM 0 HE3 MET A 22 4.233 7.254 -15.933 1.00 0.00 H new ATOM 358 N LEU A 23 3.363 2.895 -11.093 1.00 0.00 N ATOM 359 CA LEU A 23 2.007 2.889 -10.483 1.00 0.00 C ATOM 360 C LEU A 23 2.003 3.635 -9.144 1.00 0.00 C ATOM 361 O LEU A 23 1.000 4.187 -8.737 1.00 0.00 O ATOM 362 CB LEU A 23 1.711 1.411 -10.259 1.00 0.00 C ATOM 363 CG LEU A 23 0.223 1.146 -10.454 1.00 0.00 C ATOM 364 CD1 LEU A 23 -0.012 -0.363 -10.508 1.00 0.00 C ATOM 365 CD2 LEU A 23 -0.558 1.747 -9.283 1.00 0.00 C ATOM 0 H LEU A 23 3.743 1.971 -11.300 1.00 0.00 H new ATOM 0 HA LEU A 23 1.268 3.384 -11.113 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.292 0.805 -10.955 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.013 1.119 -9.253 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.116 1.602 -11.384 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.075 -0.561 -10.647 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.549 -0.789 -11.340 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.322 -0.817 -9.575 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.623 1.558 -9.421 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.226 1.289 -8.351 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.382 2.822 -9.242 1.00 0.00 H new ATOM 377 N ILE A 24 3.107 3.643 -8.447 1.00 0.00 N ATOM 378 CA ILE A 24 3.139 4.342 -7.129 1.00 0.00 C ATOM 379 C ILE A 24 3.964 5.629 -7.211 1.00 0.00 C ATOM 380 O ILE A 24 3.572 6.658 -6.698 1.00 0.00 O ATOM 381 CB ILE A 24 3.789 3.350 -6.164 1.00 0.00 C ATOM 382 CG1 ILE A 24 3.561 3.821 -4.724 1.00 0.00 C ATOM 383 CG2 ILE A 24 5.292 3.266 -6.441 1.00 0.00 C ATOM 384 CD1 ILE A 24 4.482 3.048 -3.778 1.00 0.00 C ATOM 0 H ILE A 24 3.981 3.200 -8.729 1.00 0.00 H new ATOM 0 HA ILE A 24 2.140 4.635 -6.805 1.00 0.00 H new ATOM 0 HB ILE A 24 3.343 2.365 -6.304 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.757 4.890 -4.645 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.520 3.666 -4.441 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.750 2.558 -5.751 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.455 2.931 -7.465 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.743 4.249 -6.304 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.318 3.385 -2.754 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.264 1.982 -3.849 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.521 3.225 -4.056 1.00 0.00 H new ATOM 396 N GLU A 25 5.103 5.583 -7.843 1.00 0.00 N ATOM 397 CA GLU A 25 5.941 6.811 -7.942 1.00 0.00 C ATOM 398 C GLU A 25 5.133 7.950 -8.568 1.00 0.00 C ATOM 399 O GLU A 25 5.421 9.113 -8.366 1.00 0.00 O ATOM 400 CB GLU A 25 7.113 6.423 -8.844 1.00 0.00 C ATOM 401 CG GLU A 25 8.174 5.697 -8.014 1.00 0.00 C ATOM 402 CD GLU A 25 9.484 6.486 -8.051 1.00 0.00 C ATOM 403 OE1 GLU A 25 9.438 7.659 -8.383 1.00 0.00 O ATOM 404 OE2 GLU A 25 10.512 5.903 -7.748 1.00 0.00 O ATOM 0 H GLU A 25 5.489 4.753 -8.293 1.00 0.00 H new ATOM 0 HA GLU A 25 6.280 7.160 -6.967 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.766 5.781 -9.653 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.542 7.313 -9.305 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.833 5.588 -6.985 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.332 4.692 -8.406 1.00 0.00 H new ATOM 411 N ASP A 26 4.122 7.627 -9.324 1.00 0.00 N ATOM 412 CA ASP A 26 3.303 8.698 -9.957 1.00 0.00 C ATOM 413 C ASP A 26 2.278 9.234 -8.954 1.00 0.00 C ATOM 414 O ASP A 26 2.119 10.427 -8.799 1.00 0.00 O ATOM 415 CB ASP A 26 2.621 8.021 -11.154 1.00 0.00 C ATOM 416 CG ASP A 26 1.353 7.292 -10.701 1.00 0.00 C ATOM 417 OD1 ASP A 26 1.462 6.430 -9.844 1.00 0.00 O ATOM 418 OD2 ASP A 26 0.294 7.608 -11.219 1.00 0.00 O ATOM 0 H ASP A 26 3.828 6.672 -9.531 1.00 0.00 H new ATOM 0 HA ASP A 26 3.899 9.554 -10.274 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.370 8.767 -11.908 1.00 0.00 H new ATOM 0 HB3 ASP A 26 3.308 7.315 -11.621 1.00 0.00 H new ATOM 423 N THR A 27 1.592 8.366 -8.262 1.00 0.00 N ATOM 424 CA THR A 27 0.598 8.844 -7.265 1.00 0.00 C ATOM 425 C THR A 27 1.317 9.726 -6.236 1.00 0.00 C ATOM 426 O THR A 27 0.923 10.846 -5.980 1.00 0.00 O ATOM 427 CB THR A 27 0.011 7.560 -6.646 1.00 0.00 C ATOM 428 OG1 THR A 27 -1.393 7.539 -6.865 1.00 0.00 O ATOM 429 CG2 THR A 27 0.287 7.487 -5.139 1.00 0.00 C ATOM 0 H THR A 27 1.677 7.353 -8.344 1.00 0.00 H new ATOM 0 HA THR A 27 -0.199 9.455 -7.688 1.00 0.00 H new ATOM 0 HB THR A 27 0.487 6.702 -7.121 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.773 6.724 -6.475 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.141 6.569 -4.735 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.363 7.493 -4.965 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.165 8.347 -4.644 1.00 0.00 H new ATOM 437 N LEU A 28 2.386 9.234 -5.666 1.00 0.00 N ATOM 438 CA LEU A 28 3.143 10.057 -4.680 1.00 0.00 C ATOM 439 C LEU A 28 3.473 11.405 -5.321 1.00 0.00 C ATOM 440 O LEU A 28 3.462 12.435 -4.678 1.00 0.00 O ATOM 441 CB LEU A 28 4.420 9.254 -4.390 1.00 0.00 C ATOM 442 CG LEU A 28 5.576 10.195 -4.027 1.00 0.00 C ATOM 443 CD1 LEU A 28 6.617 9.433 -3.208 1.00 0.00 C ATOM 444 CD2 LEU A 28 6.227 10.720 -5.310 1.00 0.00 C ATOM 0 H LEU A 28 2.765 8.303 -5.840 1.00 0.00 H new ATOM 0 HA LEU A 28 2.588 10.255 -3.763 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.240 8.557 -3.572 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.688 8.659 -5.263 1.00 0.00 H new ATOM 0 HG LEU A 28 5.193 11.031 -3.442 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.438 10.102 -2.950 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.156 9.055 -2.295 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.000 8.597 -3.794 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.049 11.389 -5.054 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.609 9.882 -5.893 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.487 11.263 -5.898 1.00 0.00 H new ATOM 456 N CYS A 29 3.764 11.397 -6.593 1.00 0.00 N ATOM 457 CA CYS A 29 4.091 12.668 -7.289 1.00 0.00 C ATOM 458 C CYS A 29 2.902 13.628 -7.205 1.00 0.00 C ATOM 459 O CYS A 29 3.059 14.833 -7.209 1.00 0.00 O ATOM 460 CB CYS A 29 4.357 12.262 -8.738 1.00 0.00 C ATOM 461 SG CYS A 29 5.727 13.246 -9.393 1.00 0.00 S ATOM 0 H CYS A 29 3.789 10.563 -7.179 1.00 0.00 H new ATOM 0 HA CYS A 29 4.946 13.181 -6.848 1.00 0.00 H new ATOM 0 HB2 CYS A 29 4.598 11.200 -8.792 1.00 0.00 H new ATOM 0 HB3 CYS A 29 3.462 12.416 -9.341 1.00 0.00 H new ATOM 0 HG CYS A 29 5.958 12.902 -10.625 1.00 0.00 H new ATOM 467 N GLU A 30 1.711 13.096 -7.136 1.00 0.00 N ATOM 468 CA GLU A 30 0.504 13.959 -7.060 1.00 0.00 C ATOM 469 C GLU A 30 0.053 14.147 -5.605 1.00 0.00 C ATOM 470 O GLU A 30 -0.642 15.090 -5.280 1.00 0.00 O ATOM 471 CB GLU A 30 -0.564 13.207 -7.858 1.00 0.00 C ATOM 472 CG GLU A 30 -1.388 14.202 -8.676 1.00 0.00 C ATOM 473 CD GLU A 30 -2.803 14.287 -8.103 1.00 0.00 C ATOM 474 OE1 GLU A 30 -2.961 14.891 -7.055 1.00 0.00 O ATOM 475 OE2 GLU A 30 -3.704 13.745 -8.720 1.00 0.00 O ATOM 0 H GLU A 30 1.525 12.093 -7.129 1.00 0.00 H new ATOM 0 HA GLU A 30 0.692 14.957 -7.455 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.093 12.479 -8.519 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.213 12.651 -7.182 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.916 15.184 -8.655 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.425 13.888 -9.719 1.00 0.00 H new ATOM 482 N LEU A 31 0.428 13.253 -4.729 1.00 0.00 N ATOM 483 CA LEU A 31 0.001 13.382 -3.303 1.00 0.00 C ATOM 484 C LEU A 31 1.124 13.971 -2.444 1.00 0.00 C ATOM 485 O LEU A 31 0.953 14.986 -1.798 1.00 0.00 O ATOM 486 CB LEU A 31 -0.306 11.951 -2.861 1.00 0.00 C ATOM 487 CG LEU A 31 -1.749 11.583 -3.232 1.00 0.00 C ATOM 488 CD1 LEU A 31 -2.095 12.133 -4.620 1.00 0.00 C ATOM 489 CD2 LEU A 31 -1.889 10.059 -3.245 1.00 0.00 C ATOM 0 H LEU A 31 1.010 12.441 -4.937 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.854 14.049 -3.194 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.388 11.258 -3.337 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.163 11.856 -1.785 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.429 12.016 -2.498 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.121 11.865 -4.872 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.993 13.218 -4.617 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.417 11.707 -5.360 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.912 9.790 -3.508 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.203 9.637 -3.979 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.652 9.663 -2.257 1.00 0.00 H new ATOM 501 N GLY A 32 2.272 13.348 -2.429 1.00 0.00 N ATOM 502 CA GLY A 32 3.394 13.886 -1.607 1.00 0.00 C ATOM 503 C GLY A 32 4.015 12.765 -0.767 1.00 0.00 C ATOM 504 O GLY A 32 5.144 12.872 -0.334 1.00 0.00 O ATOM 0 H GLY A 32 2.481 12.495 -2.947 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.151 14.327 -2.255 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.030 14.680 -0.955 1.00 0.00 H new ATOM 508 N HIS A 33 3.275 11.704 -0.536 1.00 0.00 N ATOM 509 CA HIS A 33 3.784 10.548 0.276 1.00 0.00 C ATOM 510 C HIS A 33 5.315 10.498 0.298 1.00 0.00 C ATOM 511 O HIS A 33 5.969 10.693 -0.707 1.00 0.00 O ATOM 512 CB HIS A 33 3.234 9.308 -0.432 1.00 0.00 C ATOM 513 CG HIS A 33 1.766 9.170 -0.134 1.00 0.00 C ATOM 514 ND1 HIS A 33 0.793 9.284 -1.115 1.00 0.00 N ATOM 515 CD2 HIS A 33 1.092 8.933 1.035 1.00 0.00 C ATOM 516 CE1 HIS A 33 -0.405 9.119 -0.521 1.00 0.00 C ATOM 517 NE2 HIS A 33 -0.279 8.902 0.791 1.00 0.00 N ATOM 0 H HIS A 33 2.323 11.588 -0.882 1.00 0.00 H new ATOM 0 HA HIS A 33 3.468 10.625 1.316 1.00 0.00 H new ATOM 0 HB2 HIS A 33 3.391 9.390 -1.507 1.00 0.00 H new ATOM 0 HB3 HIS A 33 3.769 8.419 -0.099 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.554 8.791 2.001 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -1.351 9.157 -1.041 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -1.026 8.747 1.468 1.00 0.00 H new ATOM 525 N GLU A 34 5.889 10.234 1.441 1.00 0.00 N ATOM 526 CA GLU A 34 7.375 10.165 1.533 1.00 0.00 C ATOM 527 C GLU A 34 7.901 9.047 0.623 1.00 0.00 C ATOM 528 O GLU A 34 7.370 8.805 -0.443 1.00 0.00 O ATOM 529 CB GLU A 34 7.661 9.857 3.006 1.00 0.00 C ATOM 530 CG GLU A 34 8.745 10.803 3.533 1.00 0.00 C ATOM 531 CD GLU A 34 10.002 10.679 2.672 1.00 0.00 C ATOM 532 OE1 GLU A 34 9.892 10.851 1.470 1.00 0.00 O ATOM 533 OE2 GLU A 34 11.055 10.416 3.231 1.00 0.00 O ATOM 0 H GLU A 34 5.392 10.063 2.315 1.00 0.00 H new ATOM 0 HA GLU A 34 7.862 11.086 1.213 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.750 9.969 3.594 1.00 0.00 H new ATOM 0 HB3 GLU A 34 7.985 8.822 3.114 1.00 0.00 H new ATOM 0 HG2 GLU A 34 8.383 11.831 3.518 1.00 0.00 H new ATOM 0 HG3 GLU A 34 8.978 10.562 4.570 1.00 0.00 H new ATOM 540 N VAL A 35 8.936 8.365 1.028 1.00 0.00 N ATOM 541 CA VAL A 35 9.485 7.269 0.177 1.00 0.00 C ATOM 542 C VAL A 35 8.584 6.033 0.249 1.00 0.00 C ATOM 543 O VAL A 35 8.323 5.504 1.310 1.00 0.00 O ATOM 544 CB VAL A 35 10.861 6.966 0.766 1.00 0.00 C ATOM 545 CG1 VAL A 35 11.620 6.016 -0.163 1.00 0.00 C ATOM 546 CG2 VAL A 35 11.646 8.270 0.916 1.00 0.00 C ATOM 0 H VAL A 35 9.426 8.518 1.910 1.00 0.00 H new ATOM 0 HA VAL A 35 9.543 7.553 -0.874 1.00 0.00 H new ATOM 0 HB VAL A 35 10.743 6.496 1.743 1.00 0.00 H new ATOM 0 HG11 VAL A 35 12.602 5.801 0.259 1.00 0.00 H new ATOM 0 HG12 VAL A 35 11.060 5.087 -0.270 1.00 0.00 H new ATOM 0 HG13 VAL A 35 11.740 6.482 -1.141 1.00 0.00 H new ATOM 0 HG21 VAL A 35 12.629 8.057 1.336 1.00 0.00 H new ATOM 0 HG22 VAL A 35 11.763 8.739 -0.061 1.00 0.00 H new ATOM 0 HG23 VAL A 35 11.106 8.945 1.580 1.00 0.00 H new ATOM 556 N ALA A 36 8.107 5.571 -0.874 1.00 0.00 N ATOM 557 CA ALA A 36 7.227 4.378 -0.877 1.00 0.00 C ATOM 558 C ALA A 36 7.993 3.160 -1.397 1.00 0.00 C ATOM 559 O ALA A 36 9.194 3.205 -1.574 1.00 0.00 O ATOM 560 CB ALA A 36 6.087 4.741 -1.825 1.00 0.00 C ATOM 0 H ALA A 36 8.292 5.974 -1.793 1.00 0.00 H new ATOM 0 HA ALA A 36 6.866 4.122 0.119 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.386 3.909 -1.886 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.570 5.625 -1.451 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.490 4.949 -2.816 1.00 0.00 H new ATOM 566 N ALA A 37 7.315 2.073 -1.649 1.00 0.00 N ATOM 567 CA ALA A 37 8.022 0.867 -2.161 1.00 0.00 C ATOM 568 C ALA A 37 7.380 0.407 -3.471 1.00 0.00 C ATOM 569 O ALA A 37 6.186 0.531 -3.665 1.00 0.00 O ATOM 570 CB ALA A 37 7.852 -0.189 -1.072 1.00 0.00 C ATOM 0 H ALA A 37 6.308 1.969 -1.523 1.00 0.00 H new ATOM 0 HA ALA A 37 9.074 1.058 -2.371 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.348 -1.110 -1.378 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.295 0.171 -0.144 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.791 -0.383 -0.916 1.00 0.00 H new ATOM 576 N THR A 38 8.167 -0.110 -4.373 1.00 0.00 N ATOM 577 CA THR A 38 7.614 -0.567 -5.679 1.00 0.00 C ATOM 578 C THR A 38 8.071 -1.997 -5.976 1.00 0.00 C ATOM 579 O THR A 38 9.169 -2.394 -5.641 1.00 0.00 O ATOM 580 CB THR A 38 8.160 0.406 -6.742 1.00 0.00 C ATOM 581 OG1 THR A 38 8.557 -0.331 -7.890 1.00 0.00 O ATOM 582 CG2 THR A 38 9.365 1.190 -6.204 1.00 0.00 C ATOM 0 H THR A 38 9.173 -0.236 -4.262 1.00 0.00 H new ATOM 0 HA THR A 38 6.524 -0.571 -5.671 1.00 0.00 H new ATOM 0 HB THR A 38 7.373 1.115 -6.999 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.047 0.256 -8.502 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.731 1.869 -6.974 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.064 1.764 -5.328 1.00 0.00 H new ATOM 0 HG23 THR A 38 10.158 0.495 -5.928 1.00 0.00 H new ATOM 590 N ALA A 39 7.226 -2.772 -6.596 1.00 0.00 N ATOM 591 CA ALA A 39 7.585 -4.189 -6.918 1.00 0.00 C ATOM 592 C ALA A 39 7.614 -5.008 -5.632 1.00 0.00 C ATOM 593 O ALA A 39 7.403 -4.484 -4.568 1.00 0.00 O ATOM 594 CB ALA A 39 8.967 -4.119 -7.549 1.00 0.00 C ATOM 0 H ALA A 39 6.294 -2.486 -6.897 1.00 0.00 H new ATOM 0 HA ALA A 39 6.868 -4.664 -7.588 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.298 -5.124 -7.813 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.926 -3.503 -8.447 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.669 -3.680 -6.840 1.00 0.00 H new ATOM 600 N SER A 40 7.853 -6.288 -5.700 1.00 0.00 N ATOM 601 CA SER A 40 7.858 -7.075 -4.435 1.00 0.00 C ATOM 602 C SER A 40 9.265 -7.483 -4.030 1.00 0.00 C ATOM 603 O SER A 40 10.096 -7.839 -4.843 1.00 0.00 O ATOM 604 CB SER A 40 6.965 -8.281 -4.688 1.00 0.00 C ATOM 605 OG SER A 40 7.692 -9.275 -5.398 1.00 0.00 O ATOM 0 H SER A 40 8.041 -6.813 -6.554 1.00 0.00 H new ATOM 0 HA SER A 40 7.484 -6.482 -3.601 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.607 -8.685 -3.741 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.086 -7.982 -5.259 1.00 0.00 H new ATOM 0 HG SER A 40 7.078 -9.978 -5.697 1.00 0.00 H new ATOM 611 N ARG A 41 9.528 -7.400 -2.758 1.00 0.00 N ATOM 612 CA ARG A 41 10.864 -7.737 -2.231 1.00 0.00 C ATOM 613 C ARG A 41 10.730 -8.424 -0.869 1.00 0.00 C ATOM 614 O ARG A 41 10.180 -7.870 0.063 1.00 0.00 O ATOM 615 CB ARG A 41 11.539 -6.376 -2.092 1.00 0.00 C ATOM 616 CG ARG A 41 13.052 -6.555 -1.975 1.00 0.00 C ATOM 617 CD ARG A 41 13.644 -6.692 -3.380 1.00 0.00 C ATOM 618 NE ARG A 41 14.775 -5.723 -3.417 1.00 0.00 N ATOM 619 CZ ARG A 41 15.870 -6.020 -4.062 1.00 0.00 C ATOM 620 NH1 ARG A 41 16.725 -6.859 -3.545 1.00 0.00 N ATOM 621 NH2 ARG A 41 16.111 -5.477 -5.224 1.00 0.00 N ATOM 0 H ARG A 41 8.854 -7.106 -2.051 1.00 0.00 H new ATOM 0 HA ARG A 41 11.425 -8.422 -2.866 1.00 0.00 H new ATOM 0 HB2 ARG A 41 11.303 -5.754 -2.955 1.00 0.00 H new ATOM 0 HB3 ARG A 41 11.156 -5.859 -1.212 1.00 0.00 H new ATOM 0 HG2 ARG A 41 13.494 -5.702 -1.461 1.00 0.00 H new ATOM 0 HG3 ARG A 41 13.282 -7.439 -1.381 1.00 0.00 H new ATOM 0 HD2 ARG A 41 13.989 -7.709 -3.566 1.00 0.00 H new ATOM 0 HD3 ARG A 41 12.902 -6.463 -4.145 1.00 0.00 H new ATOM 0 HE ARG A 41 14.693 -4.826 -2.938 1.00 0.00 H new ATOM 0 HH11 ARG A 41 16.538 -7.283 -2.636 1.00 0.00 H new ATOM 0 HH12 ARG A 41 17.581 -7.091 -4.049 1.00 0.00 H new ATOM 0 HH21 ARG A 41 15.443 -4.820 -5.628 1.00 0.00 H new ATOM 0 HH22 ARG A 41 16.967 -5.709 -5.728 1.00 0.00 H new ATOM 635 N MET A 42 11.215 -9.627 -0.746 1.00 0.00 N ATOM 636 CA MET A 42 11.100 -10.346 0.556 1.00 0.00 C ATOM 637 C MET A 42 11.722 -9.522 1.690 1.00 0.00 C ATOM 638 O MET A 42 11.239 -9.525 2.805 1.00 0.00 O ATOM 639 CB MET A 42 11.859 -11.659 0.354 1.00 0.00 C ATOM 640 CG MET A 42 11.264 -12.416 -0.838 1.00 0.00 C ATOM 641 SD MET A 42 11.745 -14.160 -0.748 1.00 0.00 S ATOM 642 CE MET A 42 12.687 -14.224 -2.292 1.00 0.00 C ATOM 0 H MET A 42 11.686 -10.144 -1.488 1.00 0.00 H new ATOM 0 HA MET A 42 10.061 -10.517 0.838 1.00 0.00 H new ATOM 0 HB2 MET A 42 12.916 -11.457 0.179 1.00 0.00 H new ATOM 0 HB3 MET A 42 11.796 -12.270 1.254 1.00 0.00 H new ATOM 0 HG2 MET A 42 10.178 -12.327 -0.833 1.00 0.00 H new ATOM 0 HG3 MET A 42 11.616 -11.979 -1.772 1.00 0.00 H new ATOM 0 HE1 MET A 42 13.082 -15.230 -2.436 1.00 0.00 H new ATOM 0 HE2 MET A 42 12.035 -13.967 -3.127 1.00 0.00 H new ATOM 0 HE3 MET A 42 13.513 -13.514 -2.244 1.00 0.00 H new ATOM 652 N GLN A 43 12.785 -8.816 1.417 1.00 0.00 N ATOM 653 CA GLN A 43 13.430 -7.991 2.480 1.00 0.00 C ATOM 654 C GLN A 43 12.497 -6.854 2.905 1.00 0.00 C ATOM 655 O GLN A 43 12.107 -6.753 4.051 1.00 0.00 O ATOM 656 CB GLN A 43 14.694 -7.427 1.830 1.00 0.00 C ATOM 657 CG GLN A 43 15.456 -6.570 2.844 1.00 0.00 C ATOM 658 CD GLN A 43 16.874 -7.118 3.016 1.00 0.00 C ATOM 659 OE1 GLN A 43 17.074 -8.121 3.671 1.00 0.00 O ATOM 660 NE2 GLN A 43 17.874 -6.497 2.451 1.00 0.00 N ATOM 0 H GLN A 43 13.236 -8.774 0.503 1.00 0.00 H new ATOM 0 HA GLN A 43 13.654 -8.572 3.375 1.00 0.00 H new ATOM 0 HB2 GLN A 43 15.328 -8.241 1.478 1.00 0.00 H new ATOM 0 HB3 GLN A 43 14.430 -6.828 0.958 1.00 0.00 H new ATOM 0 HG2 GLN A 43 15.494 -5.535 2.505 1.00 0.00 H new ATOM 0 HG3 GLN A 43 14.936 -6.573 3.802 1.00 0.00 H new ATOM 0 HE21 GLN A 43 17.706 -5.655 1.901 1.00 0.00 H new ATOM 0 HE22 GLN A 43 18.823 -6.854 2.560 1.00 0.00 H new ATOM 669 N GLU A 44 12.137 -5.997 1.987 1.00 0.00 N ATOM 670 CA GLU A 44 11.232 -4.867 2.340 1.00 0.00 C ATOM 671 C GLU A 44 9.889 -5.409 2.830 1.00 0.00 C ATOM 672 O GLU A 44 9.369 -4.973 3.837 1.00 0.00 O ATOM 673 CB GLU A 44 11.058 -4.065 1.050 1.00 0.00 C ATOM 674 CG GLU A 44 12.252 -3.125 0.873 1.00 0.00 C ATOM 675 CD GLU A 44 11.792 -1.838 0.188 1.00 0.00 C ATOM 676 OE1 GLU A 44 11.331 -1.922 -0.938 1.00 0.00 O ATOM 677 OE2 GLU A 44 11.909 -0.789 0.801 1.00 0.00 O ATOM 0 H GLU A 44 12.430 -6.031 1.011 1.00 0.00 H new ATOM 0 HA GLU A 44 11.637 -4.248 3.140 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.982 -4.739 0.197 1.00 0.00 H new ATOM 0 HB3 GLU A 44 10.132 -3.492 1.087 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.694 -2.895 1.842 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.025 -3.610 0.277 1.00 0.00 H new ATOM 684 N ALA A 45 9.327 -6.364 2.134 1.00 0.00 N ATOM 685 CA ALA A 45 8.023 -6.938 2.577 1.00 0.00 C ATOM 686 C ALA A 45 8.050 -7.136 4.092 1.00 0.00 C ATOM 687 O ALA A 45 7.224 -6.614 4.815 1.00 0.00 O ATOM 688 CB ALA A 45 7.911 -8.281 1.856 1.00 0.00 C ATOM 0 H ALA A 45 9.714 -6.769 1.282 1.00 0.00 H new ATOM 0 HA ALA A 45 7.176 -6.292 2.346 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.974 -8.765 2.132 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.932 -8.118 0.778 1.00 0.00 H new ATOM 0 HB3 ALA A 45 8.747 -8.919 2.143 1.00 0.00 H new ATOM 694 N LEU A 46 9.015 -7.864 4.579 1.00 0.00 N ATOM 695 CA LEU A 46 9.120 -8.072 6.046 1.00 0.00 C ATOM 696 C LEU A 46 9.179 -6.708 6.730 1.00 0.00 C ATOM 697 O LEU A 46 8.463 -6.438 7.675 1.00 0.00 O ATOM 698 CB LEU A 46 10.432 -8.834 6.237 1.00 0.00 C ATOM 699 CG LEU A 46 10.926 -8.665 7.673 1.00 0.00 C ATOM 700 CD1 LEU A 46 11.809 -9.854 8.048 1.00 0.00 C ATOM 701 CD2 LEU A 46 11.735 -7.371 7.777 1.00 0.00 C ATOM 0 H LEU A 46 9.736 -8.324 4.022 1.00 0.00 H new ATOM 0 HA LEU A 46 8.277 -8.618 6.469 1.00 0.00 H new ATOM 0 HB2 LEU A 46 10.284 -9.891 6.016 1.00 0.00 H new ATOM 0 HB3 LEU A 46 11.183 -8.464 5.539 1.00 0.00 H new ATOM 0 HG LEU A 46 10.075 -8.618 8.353 1.00 0.00 H new ATOM 0 HD11 LEU A 46 12.163 -9.736 9.072 1.00 0.00 H new ATOM 0 HD12 LEU A 46 11.232 -10.775 7.967 1.00 0.00 H new ATOM 0 HD13 LEU A 46 12.663 -9.900 7.372 1.00 0.00 H new ATOM 0 HD21 LEU A 46 12.090 -7.245 8.800 1.00 0.00 H new ATOM 0 HD22 LEU A 46 12.588 -7.420 7.100 1.00 0.00 H new ATOM 0 HD23 LEU A 46 11.104 -6.525 7.505 1.00 0.00 H new ATOM 713 N ASP A 47 10.023 -5.840 6.244 1.00 0.00 N ATOM 714 CA ASP A 47 10.127 -4.484 6.848 1.00 0.00 C ATOM 715 C ASP A 47 8.736 -3.856 6.948 1.00 0.00 C ATOM 716 O ASP A 47 8.518 -2.941 7.706 1.00 0.00 O ATOM 717 CB ASP A 47 11.018 -3.684 5.897 1.00 0.00 C ATOM 718 CG ASP A 47 12.472 -3.768 6.366 1.00 0.00 C ATOM 719 OD1 ASP A 47 13.103 -4.776 6.094 1.00 0.00 O ATOM 720 OD2 ASP A 47 12.927 -2.825 6.992 1.00 0.00 O ATOM 0 H ASP A 47 10.645 -6.012 5.454 1.00 0.00 H new ATOM 0 HA ASP A 47 10.542 -4.508 7.856 1.00 0.00 H new ATOM 0 HB2 ASP A 47 10.929 -4.075 4.883 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.694 -2.644 5.867 1.00 0.00 H new ATOM 725 N ILE A 48 7.788 -4.341 6.193 1.00 0.00 N ATOM 726 CA ILE A 48 6.418 -3.769 6.275 1.00 0.00 C ATOM 727 C ILE A 48 5.540 -4.687 7.142 1.00 0.00 C ATOM 728 O ILE A 48 4.420 -4.365 7.473 1.00 0.00 O ATOM 729 CB ILE A 48 5.888 -3.642 4.819 1.00 0.00 C ATOM 730 CG1 ILE A 48 4.869 -4.746 4.505 1.00 0.00 C ATOM 731 CG2 ILE A 48 7.041 -3.732 3.813 1.00 0.00 C ATOM 732 CD1 ILE A 48 4.421 -4.630 3.046 1.00 0.00 C ATOM 0 H ILE A 48 7.904 -5.105 5.527 1.00 0.00 H new ATOM 0 HA ILE A 48 6.408 -2.785 6.743 1.00 0.00 H new ATOM 0 HB ILE A 48 5.403 -2.670 4.733 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.312 -5.726 4.683 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.008 -4.660 5.168 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.648 -3.641 2.800 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.751 -2.927 4.001 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.545 -4.693 3.922 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.697 -5.414 2.824 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.961 -3.655 2.883 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.285 -4.737 2.390 1.00 0.00 H new ATOM 744 N ALA A 49 6.041 -5.839 7.497 1.00 0.00 N ATOM 745 CA ALA A 49 5.243 -6.775 8.334 1.00 0.00 C ATOM 746 C ALA A 49 5.596 -6.647 9.825 1.00 0.00 C ATOM 747 O ALA A 49 4.850 -7.083 10.679 1.00 0.00 O ATOM 748 CB ALA A 49 5.603 -8.171 7.823 1.00 0.00 C ATOM 0 H ALA A 49 6.971 -6.172 7.242 1.00 0.00 H new ATOM 0 HA ALA A 49 4.177 -6.562 8.256 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.053 -8.920 8.393 1.00 0.00 H new ATOM 0 HB2 ALA A 49 5.340 -8.251 6.768 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.673 -8.338 7.943 1.00 0.00 H new ATOM 754 N ARG A 50 6.740 -6.101 10.151 1.00 0.00 N ATOM 755 CA ARG A 50 7.130 -6.014 11.588 1.00 0.00 C ATOM 756 C ARG A 50 7.103 -4.578 12.134 1.00 0.00 C ATOM 757 O ARG A 50 7.346 -4.363 13.305 1.00 0.00 O ATOM 758 CB ARG A 50 8.558 -6.562 11.632 1.00 0.00 C ATOM 759 CG ARG A 50 8.526 -8.068 11.901 1.00 0.00 C ATOM 760 CD ARG A 50 7.726 -8.769 10.799 1.00 0.00 C ATOM 761 NE ARG A 50 6.407 -9.076 11.421 1.00 0.00 N ATOM 762 CZ ARG A 50 6.158 -10.278 11.866 1.00 0.00 C ATOM 763 NH1 ARG A 50 7.035 -10.895 12.610 1.00 0.00 N ATOM 764 NH2 ARG A 50 5.028 -10.862 11.571 1.00 0.00 N ATOM 0 H ARG A 50 7.414 -5.715 9.490 1.00 0.00 H new ATOM 0 HA ARG A 50 6.428 -6.570 12.210 1.00 0.00 H new ATOM 0 HB2 ARG A 50 9.063 -6.363 10.687 1.00 0.00 H new ATOM 0 HB3 ARG A 50 9.128 -6.056 12.411 1.00 0.00 H new ATOM 0 HG2 ARG A 50 9.541 -8.463 11.935 1.00 0.00 H new ATOM 0 HG3 ARG A 50 8.075 -8.265 12.873 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.611 -8.128 9.925 1.00 0.00 H new ATOM 0 HD3 ARG A 50 8.226 -9.678 10.464 1.00 0.00 H new ATOM 0 HE ARG A 50 5.698 -8.347 11.499 1.00 0.00 H new ATOM 0 HH11 ARG A 50 7.916 -10.438 12.845 1.00 0.00 H new ATOM 0 HH12 ARG A 50 6.839 -11.834 12.957 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.340 -10.379 10.993 1.00 0.00 H new ATOM 0 HH22 ARG A 50 4.833 -11.801 11.918 1.00 0.00 H new ATOM 778 N LYS A 51 6.834 -3.592 11.326 1.00 0.00 N ATOM 779 CA LYS A 51 6.830 -2.198 11.864 1.00 0.00 C ATOM 780 C LYS A 51 5.408 -1.703 12.115 1.00 0.00 C ATOM 781 O LYS A 51 5.079 -1.232 13.186 1.00 0.00 O ATOM 782 CB LYS A 51 7.482 -1.322 10.789 1.00 0.00 C ATOM 783 CG LYS A 51 8.589 -2.089 10.072 1.00 0.00 C ATOM 784 CD LYS A 51 9.777 -2.287 11.017 1.00 0.00 C ATOM 785 CE LYS A 51 10.606 -1.002 11.069 1.00 0.00 C ATOM 786 NZ LYS A 51 12.023 -1.454 10.987 1.00 0.00 N ATOM 0 H LYS A 51 6.620 -3.684 10.333 1.00 0.00 H new ATOM 0 HA LYS A 51 7.363 -2.159 12.814 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.730 -1.000 10.069 1.00 0.00 H new ATOM 0 HB3 LYS A 51 7.893 -0.421 11.245 1.00 0.00 H new ATOM 0 HG2 LYS A 51 8.215 -3.056 9.735 1.00 0.00 H new ATOM 0 HG3 LYS A 51 8.906 -1.543 9.184 1.00 0.00 H new ATOM 0 HD2 LYS A 51 9.423 -2.545 12.015 1.00 0.00 H new ATOM 0 HD3 LYS A 51 10.394 -3.117 10.674 1.00 0.00 H new ATOM 0 HE2 LYS A 51 10.355 -0.337 10.243 1.00 0.00 H new ATOM 0 HE3 LYS A 51 10.421 -0.450 11.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 12.653 -0.627 11.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 12.235 -2.080 11.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 12.172 -1.971 10.097 1.00 0.00 H new ATOM 800 N GLY A 52 4.569 -1.791 11.128 1.00 0.00 N ATOM 801 CA GLY A 52 3.172 -1.308 11.290 1.00 0.00 C ATOM 802 C GLY A 52 3.173 0.224 11.349 1.00 0.00 C ATOM 803 O GLY A 52 2.160 0.845 11.603 1.00 0.00 O ATOM 0 H GLY A 52 4.790 -2.178 10.211 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.557 -1.652 10.458 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.736 -1.719 12.200 1.00 0.00 H new ATOM 807 N GLN A 53 4.305 0.840 11.113 1.00 0.00 N ATOM 808 CA GLN A 53 4.372 2.335 11.153 1.00 0.00 C ATOM 809 C GLN A 53 4.605 2.887 9.743 1.00 0.00 C ATOM 810 O GLN A 53 4.871 4.058 9.557 1.00 0.00 O ATOM 811 CB GLN A 53 5.567 2.675 12.055 1.00 0.00 C ATOM 812 CG GLN A 53 5.683 1.656 13.191 1.00 0.00 C ATOM 813 CD GLN A 53 4.395 1.653 14.019 1.00 0.00 C ATOM 814 OE1 GLN A 53 3.346 2.029 13.537 1.00 0.00 O ATOM 815 NE2 GLN A 53 4.432 1.240 15.257 1.00 0.00 N ATOM 0 H GLN A 53 5.185 0.373 10.894 1.00 0.00 H new ATOM 0 HA GLN A 53 3.446 2.771 11.529 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.485 2.680 11.467 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.447 3.677 12.467 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.866 0.662 12.783 1.00 0.00 H new ATOM 0 HG3 GLN A 53 6.534 1.901 13.826 1.00 0.00 H new ATOM 0 HE21 GLN A 53 5.313 0.924 15.663 1.00 0.00 H new ATOM 0 HE22 GLN A 53 3.580 1.233 15.818 1.00 0.00 H new ATOM 824 N PHE A 54 4.512 2.047 8.752 1.00 0.00 N ATOM 825 CA PHE A 54 4.731 2.512 7.346 1.00 0.00 C ATOM 826 C PHE A 54 3.435 3.074 6.765 1.00 0.00 C ATOM 827 O PHE A 54 3.306 3.257 5.571 1.00 0.00 O ATOM 828 CB PHE A 54 5.155 1.269 6.565 1.00 0.00 C ATOM 829 CG PHE A 54 4.247 0.122 6.928 1.00 0.00 C ATOM 830 CD1 PHE A 54 2.923 0.098 6.475 1.00 0.00 C ATOM 831 CD2 PHE A 54 4.726 -0.907 7.740 1.00 0.00 C ATOM 832 CE1 PHE A 54 2.083 -0.960 6.834 1.00 0.00 C ATOM 833 CE2 PHE A 54 3.887 -1.961 8.101 1.00 0.00 C ATOM 834 CZ PHE A 54 2.565 -1.991 7.648 1.00 0.00 C ATOM 0 H PHE A 54 4.294 1.056 8.850 1.00 0.00 H new ATOM 0 HA PHE A 54 5.480 3.302 7.296 1.00 0.00 H new ATOM 0 HB2 PHE A 54 5.105 1.463 5.494 1.00 0.00 H new ATOM 0 HB3 PHE A 54 6.190 1.016 6.795 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.551 0.896 5.849 1.00 0.00 H new ATOM 0 HD2 PHE A 54 5.748 -0.887 8.089 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.062 -0.982 6.483 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.259 -2.755 8.731 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.917 -2.809 7.926 1.00 0.00 H new ATOM 844 N ASP A 55 2.476 3.347 7.602 1.00 0.00 N ATOM 845 CA ASP A 55 1.181 3.900 7.114 1.00 0.00 C ATOM 846 C ASP A 55 0.433 2.880 6.241 1.00 0.00 C ATOM 847 O ASP A 55 -0.724 2.596 6.483 1.00 0.00 O ATOM 848 CB ASP A 55 1.546 5.153 6.316 1.00 0.00 C ATOM 849 CG ASP A 55 1.258 6.396 7.160 1.00 0.00 C ATOM 850 OD1 ASP A 55 0.093 6.686 7.375 1.00 0.00 O ATOM 851 OD2 ASP A 55 2.209 7.038 7.577 1.00 0.00 O ATOM 0 H ASP A 55 2.533 3.210 8.611 1.00 0.00 H new ATOM 0 HA ASP A 55 0.509 4.134 7.940 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.599 5.126 6.037 1.00 0.00 H new ATOM 0 HB3 ASP A 55 0.972 5.188 5.390 1.00 0.00 H new ATOM 856 N ILE A 56 1.052 2.322 5.226 1.00 0.00 N ATOM 857 CA ILE A 56 0.298 1.338 4.388 1.00 0.00 C ATOM 858 C ILE A 56 1.196 0.221 3.826 1.00 0.00 C ATOM 859 O ILE A 56 2.406 0.291 3.878 1.00 0.00 O ATOM 860 CB ILE A 56 -0.310 2.173 3.267 1.00 0.00 C ATOM 861 CG1 ILE A 56 -1.447 3.021 3.857 1.00 0.00 C ATOM 862 CG2 ILE A 56 -0.833 1.237 2.179 1.00 0.00 C ATOM 863 CD1 ILE A 56 -2.499 3.352 2.794 1.00 0.00 C ATOM 0 H ILE A 56 2.017 2.499 4.948 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.454 0.814 4.978 1.00 0.00 H new ATOM 0 HB ILE A 56 0.434 2.835 2.824 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.916 2.483 4.681 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.040 3.944 4.269 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.270 1.825 1.372 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.010 0.639 1.787 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.592 0.578 2.600 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.291 3.953 3.241 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.033 3.911 1.983 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.922 2.428 2.401 1.00 0.00 H new ATOM 875 N ALA A 57 0.589 -0.830 3.313 1.00 0.00 N ATOM 876 CA ALA A 57 1.385 -1.981 2.778 1.00 0.00 C ATOM 877 C ALA A 57 0.635 -2.716 1.657 1.00 0.00 C ATOM 878 O ALA A 57 -0.281 -3.468 1.912 1.00 0.00 O ATOM 879 CB ALA A 57 1.516 -2.903 3.985 1.00 0.00 C ATOM 0 H ALA A 57 -0.423 -0.937 3.243 1.00 0.00 H new ATOM 0 HA ALA A 57 2.335 -1.660 2.351 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.087 -3.788 3.706 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.030 -2.378 4.790 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.524 -3.203 4.323 1.00 0.00 H new ATOM 885 N ILE A 58 1.028 -2.545 0.424 1.00 0.00 N ATOM 886 CA ILE A 58 0.325 -3.269 -0.669 1.00 0.00 C ATOM 887 C ILE A 58 1.181 -4.431 -1.156 1.00 0.00 C ATOM 888 O ILE A 58 2.328 -4.272 -1.520 1.00 0.00 O ATOM 889 CB ILE A 58 0.119 -2.241 -1.774 1.00 0.00 C ATOM 890 CG1 ILE A 58 -0.959 -1.248 -1.337 1.00 0.00 C ATOM 891 CG2 ILE A 58 -0.320 -2.948 -3.057 1.00 0.00 C ATOM 892 CD1 ILE A 58 -0.337 -0.216 -0.397 1.00 0.00 C ATOM 0 H ILE A 58 1.797 -1.942 0.130 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.625 -3.690 -0.341 1.00 0.00 H new ATOM 0 HB ILE A 58 1.052 -1.710 -1.962 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.389 -0.753 -2.208 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.772 -1.772 -0.835 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.467 -2.211 -3.847 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.448 -3.658 -3.362 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.255 -3.479 -2.878 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.100 0.495 -0.081 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.072 -0.721 0.478 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.461 0.315 -0.916 1.00 0.00 H new ATOM 904 N ILE A 59 0.620 -5.597 -1.160 1.00 0.00 N ATOM 905 CA ILE A 59 1.366 -6.797 -1.613 1.00 0.00 C ATOM 906 C ILE A 59 0.410 -7.714 -2.379 1.00 0.00 C ATOM 907 O ILE A 59 -0.073 -8.698 -1.858 1.00 0.00 O ATOM 908 CB ILE A 59 1.839 -7.469 -0.327 1.00 0.00 C ATOM 909 CG1 ILE A 59 2.679 -6.485 0.488 1.00 0.00 C ATOM 910 CG2 ILE A 59 2.679 -8.694 -0.674 1.00 0.00 C ATOM 911 CD1 ILE A 59 1.827 -5.904 1.616 1.00 0.00 C ATOM 0 H ILE A 59 -0.340 -5.776 -0.864 1.00 0.00 H new ATOM 0 HA ILE A 59 2.200 -6.561 -2.274 1.00 0.00 H new ATOM 0 HB ILE A 59 0.974 -7.776 0.261 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.553 -6.990 0.900 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.047 -5.685 -0.154 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.018 -9.175 0.244 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.077 -9.396 -1.251 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.543 -8.387 -1.263 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.424 -5.202 2.198 1.00 0.00 H new ATOM 0 HD12 ILE A 59 0.967 -5.385 1.192 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.481 -6.710 2.263 1.00 0.00 H new ATOM 923 N ASP A 60 0.129 -7.387 -3.606 1.00 0.00 N ATOM 924 CA ASP A 60 -0.807 -8.219 -4.420 1.00 0.00 C ATOM 925 C ASP A 60 -0.616 -9.712 -4.136 1.00 0.00 C ATOM 926 O ASP A 60 0.488 -10.195 -3.982 1.00 0.00 O ATOM 927 CB ASP A 60 -0.432 -7.910 -5.865 1.00 0.00 C ATOM 928 CG ASP A 60 -1.524 -7.055 -6.509 1.00 0.00 C ATOM 929 OD1 ASP A 60 -2.572 -7.600 -6.814 1.00 0.00 O ATOM 930 OD2 ASP A 60 -1.290 -5.872 -6.694 1.00 0.00 O ATOM 0 H ASP A 60 0.509 -6.572 -4.088 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.849 -7.994 -4.193 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.522 -7.384 -5.899 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.305 -8.837 -6.424 1.00 0.00 H new ATOM 935 N VAL A 61 -1.697 -10.445 -4.077 1.00 0.00 N ATOM 936 CA VAL A 61 -1.602 -11.911 -3.819 1.00 0.00 C ATOM 937 C VAL A 61 -1.792 -12.679 -5.135 1.00 0.00 C ATOM 938 O VAL A 61 -1.868 -13.892 -5.150 1.00 0.00 O ATOM 939 CB VAL A 61 -2.719 -12.203 -2.798 1.00 0.00 C ATOM 940 CG1 VAL A 61 -3.666 -13.301 -3.300 1.00 0.00 C ATOM 941 CG2 VAL A 61 -2.088 -12.653 -1.477 1.00 0.00 C ATOM 0 H VAL A 61 -2.645 -10.089 -4.197 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.633 -12.222 -3.429 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.297 -11.290 -2.656 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.441 -13.481 -2.555 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.128 -12.984 -4.235 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.103 -14.219 -3.467 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.874 -12.861 -0.751 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.500 -13.555 -1.644 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.441 -11.863 -1.095 1.00 0.00 H new ATOM 951 N ASN A 62 -1.865 -11.977 -6.235 1.00 0.00 N ATOM 952 CA ASN A 62 -2.048 -12.656 -7.551 1.00 0.00 C ATOM 953 C ASN A 62 -1.424 -11.822 -8.672 1.00 0.00 C ATOM 954 O ASN A 62 -1.677 -12.047 -9.839 1.00 0.00 O ATOM 955 CB ASN A 62 -3.555 -12.731 -7.750 1.00 0.00 C ATOM 956 CG ASN A 62 -4.042 -14.165 -7.524 1.00 0.00 C ATOM 957 OD1 ASN A 62 -5.027 -14.581 -8.101 1.00 0.00 O ATOM 958 ND2 ASN A 62 -3.392 -14.941 -6.701 1.00 0.00 N ATOM 0 H ASN A 62 -1.806 -10.960 -6.279 1.00 0.00 H new ATOM 0 HA ASN A 62 -1.574 -13.637 -7.570 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -4.056 -12.055 -7.057 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.814 -12.405 -8.757 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -3.711 -15.897 -6.542 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.565 -14.592 -6.217 1.00 0.00 H new ATOM 965 N LEU A 63 -0.607 -10.868 -8.333 1.00 0.00 N ATOM 966 CA LEU A 63 0.035 -10.034 -9.384 1.00 0.00 C ATOM 967 C LEU A 63 1.523 -10.341 -9.423 1.00 0.00 C ATOM 968 O LEU A 63 2.151 -10.545 -8.403 1.00 0.00 O ATOM 969 CB LEU A 63 -0.212 -8.584 -8.970 1.00 0.00 C ATOM 970 CG LEU A 63 -0.765 -7.803 -10.164 1.00 0.00 C ATOM 971 CD1 LEU A 63 -1.955 -8.551 -10.765 1.00 0.00 C ATOM 972 CD2 LEU A 63 -1.215 -6.414 -9.701 1.00 0.00 C ATOM 0 H LEU A 63 -0.355 -10.629 -7.374 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.368 -10.228 -10.378 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.916 -8.546 -8.139 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.716 -8.130 -8.622 1.00 0.00 H new ATOM 0 HG LEU A 63 0.014 -7.701 -10.920 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.345 -7.991 -11.615 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.634 -9.538 -11.098 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.736 -8.658 -10.012 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.609 -5.857 -10.551 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.992 -6.517 -8.943 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.365 -5.878 -9.279 1.00 0.00 H new ATOM 984 N ASP A 64 2.089 -10.395 -10.594 1.00 0.00 N ATOM 985 CA ASP A 64 3.539 -10.712 -10.712 1.00 0.00 C ATOM 986 C ASP A 64 3.780 -12.195 -10.394 1.00 0.00 C ATOM 987 O ASP A 64 4.892 -12.677 -10.469 1.00 0.00 O ATOM 988 CB ASP A 64 4.236 -9.813 -9.686 1.00 0.00 C ATOM 989 CG ASP A 64 5.448 -9.139 -10.331 1.00 0.00 C ATOM 990 OD1 ASP A 64 5.259 -8.432 -11.308 1.00 0.00 O ATOM 991 OD2 ASP A 64 6.546 -9.340 -9.838 1.00 0.00 O ATOM 0 H ASP A 64 1.608 -10.233 -11.479 1.00 0.00 H new ATOM 0 HA ASP A 64 3.920 -10.537 -11.718 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.541 -9.058 -9.318 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.551 -10.403 -8.825 1.00 0.00 H new ATOM 996 N GLY A 65 2.748 -12.929 -10.049 1.00 0.00 N ATOM 997 CA GLY A 65 2.941 -14.375 -9.744 1.00 0.00 C ATOM 998 C GLY A 65 2.619 -14.650 -8.275 1.00 0.00 C ATOM 999 O GLY A 65 3.206 -15.510 -7.657 1.00 0.00 O ATOM 0 H GLY A 65 1.790 -12.589 -9.967 1.00 0.00 H new ATOM 0 HA2 GLY A 65 2.298 -14.979 -10.384 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.969 -14.666 -9.960 1.00 0.00 H new ATOM 1003 N GLU A 66 1.689 -13.922 -7.723 1.00 0.00 N ATOM 1004 CA GLU A 66 1.301 -14.120 -6.296 1.00 0.00 C ATOM 1005 C GLU A 66 2.520 -14.174 -5.360 1.00 0.00 C ATOM 1006 O GLU A 66 2.583 -15.014 -4.483 1.00 0.00 O ATOM 1007 CB GLU A 66 0.509 -15.442 -6.281 1.00 0.00 C ATOM 1008 CG GLU A 66 1.426 -16.662 -6.083 1.00 0.00 C ATOM 1009 CD GLU A 66 1.008 -17.404 -4.811 1.00 0.00 C ATOM 1010 OE1 GLU A 66 -0.163 -17.346 -4.474 1.00 0.00 O ATOM 1011 OE2 GLU A 66 1.865 -18.019 -4.197 1.00 0.00 O ATOM 0 H GLU A 66 1.173 -13.187 -8.207 1.00 0.00 H new ATOM 0 HA GLU A 66 0.708 -13.284 -5.924 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.232 -15.412 -5.482 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -0.038 -15.548 -7.218 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.359 -17.326 -6.945 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.465 -16.342 -6.007 1.00 0.00 H new ATOM 1018 N PRO A 67 3.448 -13.264 -5.544 1.00 0.00 N ATOM 1019 CA PRO A 67 4.644 -13.237 -4.673 1.00 0.00 C ATOM 1020 C PRO A 67 4.341 -12.487 -3.369 1.00 0.00 C ATOM 1021 O PRO A 67 5.201 -11.852 -2.803 1.00 0.00 O ATOM 1022 CB PRO A 67 5.667 -12.466 -5.497 1.00 0.00 C ATOM 1023 CG PRO A 67 4.864 -11.595 -6.417 1.00 0.00 C ATOM 1024 CD PRO A 67 3.484 -12.198 -6.552 1.00 0.00 C ATOM 0 HA PRO A 67 4.984 -14.232 -4.388 1.00 0.00 H new ATOM 0 HB2 PRO A 67 6.316 -11.868 -4.857 1.00 0.00 H new ATOM 0 HB3 PRO A 67 6.310 -13.144 -6.059 1.00 0.00 H new ATOM 0 HG2 PRO A 67 4.799 -10.582 -6.021 1.00 0.00 H new ATOM 0 HG3 PRO A 67 5.346 -11.526 -7.392 1.00 0.00 H new ATOM 0 HD2 PRO A 67 2.707 -11.455 -6.372 1.00 0.00 H new ATOM 0 HD3 PRO A 67 3.320 -12.594 -7.554 1.00 0.00 H new ATOM 1032 N SER A 68 3.123 -12.544 -2.900 1.00 0.00 N ATOM 1033 CA SER A 68 2.759 -11.822 -1.643 1.00 0.00 C ATOM 1034 C SER A 68 3.230 -12.599 -0.410 1.00 0.00 C ATOM 1035 O SER A 68 2.956 -12.222 0.709 1.00 0.00 O ATOM 1036 CB SER A 68 1.232 -11.758 -1.683 1.00 0.00 C ATOM 1037 OG SER A 68 0.692 -12.389 -0.529 1.00 0.00 O ATOM 0 H SER A 68 2.360 -13.062 -3.335 1.00 0.00 H new ATOM 0 HA SER A 68 3.223 -10.838 -1.579 1.00 0.00 H new ATOM 0 HB2 SER A 68 0.904 -10.720 -1.728 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.862 -12.248 -2.583 1.00 0.00 H new ATOM 0 HG SER A 68 0.683 -13.360 -0.661 1.00 0.00 H new ATOM 1043 N TYR A 69 3.932 -13.680 -0.615 1.00 0.00 N ATOM 1044 CA TYR A 69 4.424 -14.509 0.529 1.00 0.00 C ATOM 1045 C TYR A 69 3.297 -14.785 1.532 1.00 0.00 C ATOM 1046 O TYR A 69 2.222 -14.206 1.473 1.00 0.00 O ATOM 1047 CB TYR A 69 5.576 -13.742 1.225 1.00 0.00 C ATOM 1048 CG TYR A 69 5.780 -12.355 0.650 1.00 0.00 C ATOM 1049 CD1 TYR A 69 6.537 -12.179 -0.514 1.00 0.00 C ATOM 1050 CD2 TYR A 69 5.222 -11.244 1.295 1.00 0.00 C ATOM 1051 CE1 TYR A 69 6.731 -10.893 -1.035 1.00 0.00 C ATOM 1052 CE2 TYR A 69 5.416 -9.960 0.775 1.00 0.00 C ATOM 1053 CZ TYR A 69 6.171 -9.784 -0.389 1.00 0.00 C ATOM 1054 OH TYR A 69 6.362 -8.518 -0.902 1.00 0.00 O ATOM 0 H TYR A 69 4.190 -14.031 -1.537 1.00 0.00 H new ATOM 0 HA TYR A 69 4.778 -15.470 0.155 1.00 0.00 H new ATOM 0 HB2 TYR A 69 5.363 -13.662 2.291 1.00 0.00 H new ATOM 0 HB3 TYR A 69 6.500 -14.312 1.126 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.971 -13.034 -1.010 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.641 -11.379 2.195 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.312 -10.757 -1.935 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.983 -9.105 1.272 1.00 0.00 H new ATOM 0 HH TYR A 69 6.121 -7.851 -0.225 1.00 0.00 H new ATOM 1064 N PRO A 70 3.595 -15.668 2.439 1.00 0.00 N ATOM 1065 CA PRO A 70 2.621 -16.039 3.488 1.00 0.00 C ATOM 1066 C PRO A 70 2.396 -14.851 4.420 1.00 0.00 C ATOM 1067 O PRO A 70 1.547 -14.883 5.288 1.00 0.00 O ATOM 1068 CB PRO A 70 3.302 -17.198 4.216 1.00 0.00 C ATOM 1069 CG PRO A 70 4.760 -17.002 3.951 1.00 0.00 C ATOM 1070 CD PRO A 70 4.861 -16.395 2.579 1.00 0.00 C ATOM 0 HA PRO A 70 1.640 -16.317 3.101 1.00 0.00 H new ATOM 0 HB2 PRO A 70 3.087 -17.177 5.284 1.00 0.00 H new ATOM 0 HB3 PRO A 70 2.956 -18.161 3.840 1.00 0.00 H new ATOM 0 HG2 PRO A 70 5.207 -16.348 4.700 1.00 0.00 H new ATOM 0 HG3 PRO A 70 5.295 -17.951 3.997 1.00 0.00 H new ATOM 0 HD2 PRO A 70 5.719 -15.728 2.496 1.00 0.00 H new ATOM 0 HD3 PRO A 70 4.974 -17.158 1.809 1.00 0.00 H new ATOM 1078 N VAL A 71 3.148 -13.796 4.244 1.00 0.00 N ATOM 1079 CA VAL A 71 2.964 -12.615 5.124 1.00 0.00 C ATOM 1080 C VAL A 71 1.749 -11.820 4.668 1.00 0.00 C ATOM 1081 O VAL A 71 0.745 -11.803 5.341 1.00 0.00 O ATOM 1082 CB VAL A 71 4.244 -11.788 5.006 1.00 0.00 C ATOM 1083 CG1 VAL A 71 4.358 -10.854 6.211 1.00 0.00 C ATOM 1084 CG2 VAL A 71 5.455 -12.719 4.974 1.00 0.00 C ATOM 0 H VAL A 71 3.875 -13.705 3.534 1.00 0.00 H new ATOM 0 HA VAL A 71 2.790 -12.901 6.161 1.00 0.00 H new ATOM 0 HB VAL A 71 4.212 -11.201 4.088 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.270 -10.263 6.129 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.496 -10.188 6.238 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.389 -11.444 7.127 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.367 -12.127 4.890 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.487 -13.306 5.892 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.377 -13.389 4.117 1.00 0.00 H new ATOM 1094 N ALA A 72 1.809 -11.190 3.518 1.00 0.00 N ATOM 1095 CA ALA A 72 0.612 -10.444 3.019 1.00 0.00 C ATOM 1096 C ALA A 72 -0.608 -11.290 3.328 1.00 0.00 C ATOM 1097 O ALA A 72 -1.663 -10.811 3.696 1.00 0.00 O ATOM 1098 CB ALA A 72 0.819 -10.374 1.523 1.00 0.00 C ATOM 0 H ALA A 72 2.627 -11.160 2.909 1.00 0.00 H new ATOM 0 HA ALA A 72 0.482 -9.456 3.461 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.014 -9.841 1.065 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.749 -9.847 1.309 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.872 -11.384 1.115 1.00 0.00 H new ATOM 1104 N ASP A 73 -0.422 -12.572 3.218 1.00 0.00 N ATOM 1105 CA ASP A 73 -1.504 -13.521 3.539 1.00 0.00 C ATOM 1106 C ASP A 73 -1.868 -13.365 5.009 1.00 0.00 C ATOM 1107 O ASP A 73 -3.000 -13.117 5.379 1.00 0.00 O ATOM 1108 CB ASP A 73 -0.852 -14.871 3.326 1.00 0.00 C ATOM 1109 CG ASP A 73 -0.884 -15.235 1.842 1.00 0.00 C ATOM 1110 OD1 ASP A 73 -0.172 -14.600 1.081 1.00 0.00 O ATOM 1111 OD2 ASP A 73 -1.621 -16.140 1.489 1.00 0.00 O ATOM 0 H ASP A 73 0.451 -13.004 2.914 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.408 -13.379 2.946 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.178 -14.847 3.682 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -1.373 -15.632 3.907 1.00 0.00 H new ATOM 1116 N ILE A 74 -0.880 -13.500 5.843 1.00 0.00 N ATOM 1117 CA ILE A 74 -1.098 -13.354 7.305 1.00 0.00 C ATOM 1118 C ILE A 74 -1.522 -11.918 7.595 1.00 0.00 C ATOM 1119 O ILE A 74 -2.445 -11.664 8.343 1.00 0.00 O ATOM 1120 CB ILE A 74 0.260 -13.664 7.937 1.00 0.00 C ATOM 1121 CG1 ILE A 74 0.461 -15.182 7.977 1.00 0.00 C ATOM 1122 CG2 ILE A 74 0.307 -13.104 9.360 1.00 0.00 C ATOM 1123 CD1 ILE A 74 1.931 -15.500 8.261 1.00 0.00 C ATOM 0 H ILE A 74 0.081 -13.708 5.571 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.874 -14.011 7.696 1.00 0.00 H new ATOM 0 HB ILE A 74 1.051 -13.204 7.345 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.172 -15.622 8.748 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.160 -15.624 7.027 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.276 -13.327 9.807 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.160 -12.024 9.331 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.482 -13.561 9.957 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.071 -16.581 8.289 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.554 -15.074 7.475 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.217 -15.072 9.222 1.00 0.00 H new ATOM 1135 N LEU A 75 -0.864 -10.979 6.977 1.00 0.00 N ATOM 1136 CA LEU A 75 -1.232 -9.557 7.175 1.00 0.00 C ATOM 1137 C LEU A 75 -2.752 -9.431 7.086 1.00 0.00 C ATOM 1138 O LEU A 75 -3.356 -8.559 7.677 1.00 0.00 O ATOM 1139 CB LEU A 75 -0.546 -8.833 6.017 1.00 0.00 C ATOM 1140 CG LEU A 75 -0.181 -7.413 6.434 1.00 0.00 C ATOM 1141 CD1 LEU A 75 0.937 -7.461 7.478 1.00 0.00 C ATOM 1142 CD2 LEU A 75 0.300 -6.641 5.204 1.00 0.00 C ATOM 0 H LEU A 75 -0.083 -11.139 6.340 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.930 -9.148 8.139 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.351 -9.375 5.718 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.207 -8.808 5.150 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.052 -6.917 6.862 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.199 -6.446 7.777 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.597 -8.020 8.350 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.812 -7.951 7.052 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.563 -5.624 5.493 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.175 -7.136 4.783 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.495 -6.612 4.459 1.00 0.00 H new ATOM 1154 N ALA A 76 -3.370 -10.318 6.353 1.00 0.00 N ATOM 1155 CA ALA A 76 -4.846 -10.288 6.217 1.00 0.00 C ATOM 1156 C ALA A 76 -5.490 -10.999 7.412 1.00 0.00 C ATOM 1157 O ALA A 76 -6.568 -10.653 7.850 1.00 0.00 O ATOM 1158 CB ALA A 76 -5.130 -11.042 4.917 1.00 0.00 C ATOM 0 H ALA A 76 -2.906 -11.067 5.840 1.00 0.00 H new ATOM 0 HA ALA A 76 -5.250 -9.276 6.195 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.205 -11.068 4.739 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -4.636 -10.536 4.087 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.751 -12.061 4.997 1.00 0.00 H new ATOM 1164 N GLU A 77 -4.837 -12.000 7.939 1.00 0.00 N ATOM 1165 CA GLU A 77 -5.417 -12.733 9.102 1.00 0.00 C ATOM 1166 C GLU A 77 -5.609 -11.788 10.303 1.00 0.00 C ATOM 1167 O GLU A 77 -6.572 -11.897 11.035 1.00 0.00 O ATOM 1168 CB GLU A 77 -4.414 -13.866 9.402 1.00 0.00 C ATOM 1169 CG GLU A 77 -3.511 -13.519 10.596 1.00 0.00 C ATOM 1170 CD GLU A 77 -2.768 -14.778 11.050 1.00 0.00 C ATOM 1171 OE1 GLU A 77 -1.780 -15.119 10.422 1.00 0.00 O ATOM 1172 OE2 GLU A 77 -3.203 -15.382 12.017 1.00 0.00 O ATOM 0 H GLU A 77 -3.931 -12.341 7.617 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.408 -13.134 8.891 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -4.957 -14.788 9.611 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.799 -14.051 8.521 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -2.798 -12.744 10.315 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.109 -13.120 11.415 1.00 0.00 H new ATOM 1179 N ARG A 78 -4.704 -10.867 10.513 1.00 0.00 N ATOM 1180 CA ARG A 78 -4.845 -9.932 11.664 1.00 0.00 C ATOM 1181 C ARG A 78 -5.097 -8.500 11.171 1.00 0.00 C ATOM 1182 O ARG A 78 -5.582 -7.659 11.899 1.00 0.00 O ATOM 1183 CB ARG A 78 -3.516 -10.020 12.421 1.00 0.00 C ATOM 1184 CG ARG A 78 -2.429 -9.262 11.652 1.00 0.00 C ATOM 1185 CD ARG A 78 -1.071 -9.487 12.326 1.00 0.00 C ATOM 1186 NE ARG A 78 -0.617 -8.130 12.743 1.00 0.00 N ATOM 1187 CZ ARG A 78 0.357 -7.997 13.604 1.00 0.00 C ATOM 1188 NH1 ARG A 78 1.448 -8.705 13.476 1.00 0.00 N ATOM 1189 NH2 ARG A 78 0.238 -7.154 14.595 1.00 0.00 N ATOM 0 H ARG A 78 -3.875 -10.724 9.936 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.691 -10.194 12.300 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.628 -9.599 13.420 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -3.226 -11.063 12.545 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.394 -9.605 10.618 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.662 -8.198 11.627 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -1.162 -10.154 13.184 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.361 -9.947 11.639 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.068 -7.302 12.355 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.541 -9.363 12.703 1.00 0.00 H new ATOM 0 HH12 ARG A 78 2.207 -8.599 14.150 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.614 -6.602 14.695 1.00 0.00 H new ATOM 0 HH22 ARG A 78 0.997 -7.048 15.268 1.00 0.00 H new ATOM 1203 N ASN A 79 -4.770 -8.226 9.938 1.00 0.00 N ATOM 1204 CA ASN A 79 -4.982 -6.858 9.375 1.00 0.00 C ATOM 1205 C ASN A 79 -4.603 -5.768 10.385 1.00 0.00 C ATOM 1206 O ASN A 79 -5.358 -5.434 11.278 1.00 0.00 O ATOM 1207 CB ASN A 79 -6.472 -6.767 9.031 1.00 0.00 C ATOM 1208 CG ASN A 79 -6.972 -8.105 8.487 1.00 0.00 C ATOM 1209 OD1 ASN A 79 -7.459 -8.933 9.230 1.00 0.00 O ATOM 1210 ND2 ASN A 79 -6.871 -8.354 7.211 1.00 0.00 N ATOM 0 H ASN A 79 -4.361 -8.897 9.288 1.00 0.00 H new ATOM 0 HA ASN A 79 -4.352 -6.701 8.500 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.041 -6.492 9.919 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -6.635 -5.982 8.292 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -7.201 -9.244 6.837 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.462 -7.659 6.587 1.00 0.00 H new ATOM 1217 N VAL A 80 -3.444 -5.193 10.220 1.00 0.00 N ATOM 1218 CA VAL A 80 -2.994 -4.095 11.127 1.00 0.00 C ATOM 1219 C VAL A 80 -3.267 -2.762 10.411 1.00 0.00 C ATOM 1220 O VAL A 80 -3.710 -2.780 9.283 1.00 0.00 O ATOM 1221 CB VAL A 80 -1.489 -4.385 11.323 1.00 0.00 C ATOM 1222 CG1 VAL A 80 -0.612 -3.345 10.607 1.00 0.00 C ATOM 1223 CG2 VAL A 80 -1.160 -4.394 12.818 1.00 0.00 C ATOM 0 H VAL A 80 -2.780 -5.439 9.486 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.499 -4.038 12.091 1.00 0.00 H new ATOM 0 HB VAL A 80 -1.275 -5.361 10.887 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.439 -3.583 10.768 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.828 -3.361 9.539 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.825 -2.353 11.006 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.098 -4.599 12.956 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.401 -3.423 13.249 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.746 -5.167 13.315 1.00 0.00 H new ATOM 1233 N PRO A 81 -2.994 -1.646 11.047 1.00 0.00 N ATOM 1234 CA PRO A 81 -3.240 -0.342 10.375 1.00 0.00 C ATOM 1235 C PRO A 81 -2.420 -0.293 9.094 1.00 0.00 C ATOM 1236 O PRO A 81 -1.213 -0.415 9.124 1.00 0.00 O ATOM 1237 CB PRO A 81 -2.791 0.687 11.409 1.00 0.00 C ATOM 1238 CG PRO A 81 -1.852 -0.067 12.293 1.00 0.00 C ATOM 1239 CD PRO A 81 -2.426 -1.459 12.386 1.00 0.00 C ATOM 0 HA PRO A 81 -4.274 -0.166 10.077 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -2.298 1.537 10.937 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -3.637 1.082 11.971 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -0.846 -0.083 11.875 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -1.781 0.396 13.277 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -1.661 -2.201 12.612 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -3.184 -1.536 13.165 1.00 0.00 H new ATOM 1247 N PHE A 82 -3.072 -0.156 7.965 1.00 0.00 N ATOM 1248 CA PHE A 82 -2.337 -0.164 6.668 1.00 0.00 C ATOM 1249 C PHE A 82 -3.322 -0.163 5.495 1.00 0.00 C ATOM 1250 O PHE A 82 -4.350 0.485 5.518 1.00 0.00 O ATOM 1251 CB PHE A 82 -1.573 -1.497 6.670 1.00 0.00 C ATOM 1252 CG PHE A 82 -2.529 -2.680 6.546 1.00 0.00 C ATOM 1253 CD1 PHE A 82 -3.917 -2.537 6.760 1.00 0.00 C ATOM 1254 CD2 PHE A 82 -2.011 -3.940 6.225 1.00 0.00 C ATOM 1255 CE1 PHE A 82 -4.764 -3.648 6.653 1.00 0.00 C ATOM 1256 CE2 PHE A 82 -2.864 -5.049 6.117 1.00 0.00 C ATOM 1257 CZ PHE A 82 -4.237 -4.901 6.332 1.00 0.00 C ATOM 0 H PHE A 82 -4.082 -0.039 7.889 1.00 0.00 H new ATOM 0 HA PHE A 82 -1.691 0.707 6.561 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -0.861 -1.513 5.844 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -0.996 -1.587 7.590 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.327 -1.569 7.007 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -0.950 -4.059 6.060 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -5.825 -3.535 6.819 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.459 -6.018 5.867 1.00 0.00 H new ATOM 0 HZ PHE A 82 -4.891 -5.756 6.250 1.00 0.00 H new ATOM 1267 N ILE A 83 -3.015 -0.934 4.488 1.00 0.00 N ATOM 1268 CA ILE A 83 -3.906 -1.060 3.314 1.00 0.00 C ATOM 1269 C ILE A 83 -3.367 -2.198 2.452 1.00 0.00 C ATOM 1270 O ILE A 83 -2.201 -2.509 2.522 1.00 0.00 O ATOM 1271 CB ILE A 83 -3.844 0.302 2.619 1.00 0.00 C ATOM 1272 CG1 ILE A 83 -5.222 0.973 2.668 1.00 0.00 C ATOM 1273 CG2 ILE A 83 -3.412 0.154 1.151 1.00 0.00 C ATOM 1274 CD1 ILE A 83 -6.300 -0.032 2.260 1.00 0.00 C ATOM 0 H ILE A 83 -2.163 -1.492 4.435 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.943 -1.299 3.549 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.110 0.914 3.142 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -5.420 1.345 3.673 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.242 1.834 1.999 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -3.376 1.137 0.681 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.424 -0.305 1.107 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -4.129 -0.475 0.623 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -7.278 0.448 2.296 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -6.105 -0.383 1.247 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -6.286 -0.879 2.946 1.00 0.00 H new ATOM 1286 N PHE A 84 -4.184 -2.839 1.669 1.00 0.00 N ATOM 1287 CA PHE A 84 -3.653 -3.968 0.853 1.00 0.00 C ATOM 1288 C PHE A 84 -4.525 -4.249 -0.362 1.00 0.00 C ATOM 1289 O PHE A 84 -5.711 -3.974 -0.386 1.00 0.00 O ATOM 1290 CB PHE A 84 -3.702 -5.152 1.801 1.00 0.00 C ATOM 1291 CG PHE A 84 -3.020 -6.360 1.185 1.00 0.00 C ATOM 1292 CD1 PHE A 84 -3.629 -7.036 0.120 1.00 0.00 C ATOM 1293 CD2 PHE A 84 -1.787 -6.815 1.683 1.00 0.00 C ATOM 1294 CE1 PHE A 84 -3.013 -8.157 -0.446 1.00 0.00 C ATOM 1295 CE2 PHE A 84 -1.175 -7.938 1.113 1.00 0.00 C ATOM 1296 CZ PHE A 84 -1.787 -8.608 0.049 1.00 0.00 C ATOM 0 H PHE A 84 -5.178 -2.638 1.557 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.657 -3.753 0.466 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.214 -4.892 2.741 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.739 -5.394 2.036 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -4.577 -6.691 -0.265 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -1.312 -6.299 2.504 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -3.486 -8.675 -1.267 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.228 -8.288 1.496 1.00 0.00 H new ATOM 0 HZ PHE A 84 -1.312 -9.473 -0.390 1.00 0.00 H new ATOM 1306 N ALA A 85 -3.955 -4.837 -1.364 1.00 0.00 N ATOM 1307 CA ALA A 85 -4.765 -5.169 -2.551 1.00 0.00 C ATOM 1308 C ALA A 85 -4.311 -6.510 -3.127 1.00 0.00 C ATOM 1309 O ALA A 85 -3.162 -6.884 -3.016 1.00 0.00 O ATOM 1310 CB ALA A 85 -4.521 -4.043 -3.549 1.00 0.00 C ATOM 0 H ALA A 85 -2.971 -5.100 -1.412 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.825 -5.260 -2.312 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -5.096 -4.230 -4.456 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -4.832 -3.095 -3.111 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -3.460 -3.998 -3.795 1.00 0.00 H new ATOM 1316 N THR A 86 -5.199 -7.237 -3.738 1.00 0.00 N ATOM 1317 CA THR A 86 -4.804 -8.554 -4.317 1.00 0.00 C ATOM 1318 C THR A 86 -5.715 -8.902 -5.496 1.00 0.00 C ATOM 1319 O THR A 86 -6.692 -8.228 -5.755 1.00 0.00 O ATOM 1320 CB THR A 86 -4.985 -9.583 -3.194 1.00 0.00 C ATOM 1321 OG1 THR A 86 -5.293 -10.846 -3.765 1.00 0.00 O ATOM 1322 CG2 THR A 86 -6.120 -9.159 -2.256 1.00 0.00 C ATOM 0 H THR A 86 -6.178 -6.981 -3.863 1.00 0.00 H new ATOM 0 HA THR A 86 -3.778 -8.538 -4.684 1.00 0.00 H new ATOM 0 HB THR A 86 -4.061 -9.647 -2.619 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.625 -11.448 -3.067 1.00 0.00 H new ATOM 0 HG21 THR A 86 -6.235 -9.900 -1.465 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.884 -8.191 -1.814 1.00 0.00 H new ATOM 0 HG23 THR A 86 -7.050 -9.084 -2.820 1.00 0.00 H new ATOM 1330 N GLY A 87 -5.416 -9.955 -6.204 1.00 0.00 N ATOM 1331 CA GLY A 87 -6.285 -10.341 -7.350 1.00 0.00 C ATOM 1332 C GLY A 87 -7.667 -10.719 -6.815 1.00 0.00 C ATOM 1333 O GLY A 87 -8.618 -10.854 -7.558 1.00 0.00 O ATOM 0 H GLY A 87 -4.613 -10.562 -6.040 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.367 -9.515 -8.057 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -5.847 -11.180 -7.890 1.00 0.00 H new ATOM 1337 N TYR A 88 -7.779 -10.893 -5.525 1.00 0.00 N ATOM 1338 CA TYR A 88 -9.090 -11.265 -4.925 1.00 0.00 C ATOM 1339 C TYR A 88 -9.901 -10.004 -4.579 1.00 0.00 C ATOM 1340 O TYR A 88 -11.077 -9.917 -4.873 1.00 0.00 O ATOM 1341 CB TYR A 88 -8.718 -12.052 -3.661 1.00 0.00 C ATOM 1342 CG TYR A 88 -9.822 -11.954 -2.633 1.00 0.00 C ATOM 1343 CD1 TYR A 88 -11.162 -12.009 -3.032 1.00 0.00 C ATOM 1344 CD2 TYR A 88 -9.499 -11.807 -1.279 1.00 0.00 C ATOM 1345 CE1 TYR A 88 -12.180 -11.918 -2.076 1.00 0.00 C ATOM 1346 CE2 TYR A 88 -10.517 -11.716 -0.323 1.00 0.00 C ATOM 1347 CZ TYR A 88 -11.857 -11.772 -0.721 1.00 0.00 C ATOM 1348 OH TYR A 88 -12.860 -11.684 0.223 1.00 0.00 O ATOM 0 H TYR A 88 -7.013 -10.792 -4.859 1.00 0.00 H new ATOM 0 HA TYR A 88 -9.714 -11.848 -5.602 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -8.541 -13.097 -3.915 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -7.789 -11.664 -3.244 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -11.411 -12.122 -4.077 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -8.464 -11.764 -0.972 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -13.215 -11.960 -2.383 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -10.268 -11.603 0.722 1.00 0.00 H new ATOM 0 HH TYR A 88 -12.682 -12.318 0.949 1.00 0.00 H new ATOM 1358 N GLY A 89 -9.288 -9.028 -3.958 1.00 0.00 N ATOM 1359 CA GLY A 89 -10.038 -7.789 -3.600 1.00 0.00 C ATOM 1360 C GLY A 89 -10.141 -7.666 -2.075 1.00 0.00 C ATOM 1361 O GLY A 89 -11.104 -7.144 -1.551 1.00 0.00 O ATOM 0 H GLY A 89 -8.305 -9.036 -3.685 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -9.532 -6.915 -4.011 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -11.035 -7.817 -4.040 1.00 0.00 H new ATOM 1365 N SER A 90 -9.150 -8.133 -1.363 1.00 0.00 N ATOM 1366 CA SER A 90 -9.176 -8.037 0.128 1.00 0.00 C ATOM 1367 C SER A 90 -10.429 -8.702 0.704 1.00 0.00 C ATOM 1368 O SER A 90 -11.492 -8.675 0.118 1.00 0.00 O ATOM 1369 CB SER A 90 -9.188 -6.539 0.427 1.00 0.00 C ATOM 1370 OG SER A 90 -7.920 -5.987 0.099 1.00 0.00 O ATOM 0 H SER A 90 -8.319 -8.579 -1.751 1.00 0.00 H new ATOM 0 HA SER A 90 -8.323 -8.545 0.577 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.972 -6.047 -0.149 1.00 0.00 H new ATOM 0 HB3 SER A 90 -9.411 -6.368 1.480 1.00 0.00 H new ATOM 0 HG SER A 90 -7.955 -5.012 0.188 1.00 0.00 H new ATOM 1376 N LYS A 91 -10.314 -9.286 1.865 1.00 0.00 N ATOM 1377 CA LYS A 91 -11.493 -9.930 2.493 1.00 0.00 C ATOM 1378 C LYS A 91 -12.137 -8.945 3.464 1.00 0.00 C ATOM 1379 O LYS A 91 -12.659 -9.318 4.497 1.00 0.00 O ATOM 1380 CB LYS A 91 -10.941 -11.142 3.245 1.00 0.00 C ATOM 1381 CG LYS A 91 -9.819 -10.695 4.183 1.00 0.00 C ATOM 1382 CD LYS A 91 -9.948 -11.430 5.518 1.00 0.00 C ATOM 1383 CE LYS A 91 -8.579 -11.491 6.199 1.00 0.00 C ATOM 1384 NZ LYS A 91 -8.193 -12.929 6.158 1.00 0.00 N ATOM 0 H LYS A 91 -9.450 -9.343 2.404 1.00 0.00 H new ATOM 0 HA LYS A 91 -12.250 -10.226 1.767 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -11.736 -11.622 3.815 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -10.565 -11.881 2.538 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -8.849 -10.904 3.733 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.871 -9.618 4.342 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -10.664 -10.917 6.161 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.331 -12.438 5.356 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -7.850 -10.871 5.677 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.631 -11.125 7.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -7.263 -13.052 6.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -8.902 -13.493 6.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -8.144 -13.247 5.169 1.00 0.00 H new ATOM 1398 N GLY A 92 -12.085 -7.680 3.143 1.00 0.00 N ATOM 1399 CA GLY A 92 -12.671 -6.655 4.047 1.00 0.00 C ATOM 1400 C GLY A 92 -11.702 -6.418 5.206 1.00 0.00 C ATOM 1401 O GLY A 92 -12.104 -6.226 6.337 1.00 0.00 O ATOM 0 H GLY A 92 -11.660 -7.314 2.291 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -12.846 -5.726 3.504 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -13.637 -6.990 4.424 1.00 0.00 H new ATOM 1405 N LEU A 93 -10.423 -6.443 4.926 1.00 0.00 N ATOM 1406 CA LEU A 93 -9.406 -6.232 5.998 1.00 0.00 C ATOM 1407 C LEU A 93 -9.887 -5.158 6.986 1.00 0.00 C ATOM 1408 O LEU A 93 -10.704 -4.320 6.663 1.00 0.00 O ATOM 1409 CB LEU A 93 -8.121 -5.816 5.253 1.00 0.00 C ATOM 1410 CG LEU A 93 -7.923 -4.300 5.298 1.00 0.00 C ATOM 1411 CD1 LEU A 93 -6.697 -3.918 4.463 1.00 0.00 C ATOM 1412 CD2 LEU A 93 -9.166 -3.617 4.732 1.00 0.00 C ATOM 0 H LEU A 93 -10.039 -6.602 3.995 1.00 0.00 H new ATOM 0 HA LEU A 93 -9.232 -7.124 6.600 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.260 -6.311 5.702 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -8.175 -6.148 4.216 1.00 0.00 H new ATOM 0 HG LEU A 93 -7.767 -3.979 6.328 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -6.557 -2.838 4.496 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.813 -4.411 4.868 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.847 -4.233 3.430 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -9.032 -2.536 4.761 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -9.319 -3.936 3.701 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -10.036 -3.891 5.329 1.00 0.00 H new ATOM 1424 N ASP A 94 -9.389 -5.193 8.189 1.00 0.00 N ATOM 1425 CA ASP A 94 -9.815 -4.190 9.211 1.00 0.00 C ATOM 1426 C ASP A 94 -8.672 -3.221 9.519 1.00 0.00 C ATOM 1427 O ASP A 94 -7.514 -3.592 9.514 1.00 0.00 O ATOM 1428 CB ASP A 94 -10.182 -5.009 10.451 1.00 0.00 C ATOM 1429 CG ASP A 94 -8.946 -5.742 10.971 1.00 0.00 C ATOM 1430 OD1 ASP A 94 -7.981 -5.073 11.302 1.00 0.00 O ATOM 1431 OD2 ASP A 94 -8.984 -6.960 11.028 1.00 0.00 O ATOM 0 H ASP A 94 -8.703 -5.874 8.513 1.00 0.00 H new ATOM 0 HA ASP A 94 -10.653 -3.584 8.865 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -10.581 -4.354 11.226 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -10.965 -5.726 10.206 1.00 0.00 H new ATOM 1436 N THR A 95 -8.990 -1.979 9.786 1.00 0.00 N ATOM 1437 CA THR A 95 -7.928 -0.971 10.093 1.00 0.00 C ATOM 1438 C THR A 95 -8.546 0.443 10.077 1.00 0.00 C ATOM 1439 O THR A 95 -9.493 0.706 9.362 1.00 0.00 O ATOM 1440 CB THR A 95 -6.868 -1.181 8.986 1.00 0.00 C ATOM 1441 OG1 THR A 95 -5.670 -1.670 9.562 1.00 0.00 O ATOM 1442 CG2 THR A 95 -6.571 0.109 8.248 1.00 0.00 C ATOM 0 H THR A 95 -9.944 -1.618 9.805 1.00 0.00 H new ATOM 0 HA THR A 95 -7.478 -1.084 11.079 1.00 0.00 H new ATOM 0 HB THR A 95 -7.268 -1.901 8.273 1.00 0.00 H new ATOM 0 HG1 THR A 95 -5.229 -2.278 8.932 1.00 0.00 H new ATOM 0 HG21 THR A 95 -5.822 -0.076 7.478 1.00 0.00 H new ATOM 0 HG22 THR A 95 -7.484 0.481 7.784 1.00 0.00 H new ATOM 0 HG23 THR A 95 -6.192 0.851 8.951 1.00 0.00 H new ATOM 1450 N ARG A 96 -8.024 1.346 10.871 1.00 0.00 N ATOM 1451 CA ARG A 96 -8.587 2.736 10.917 1.00 0.00 C ATOM 1452 C ARG A 96 -8.850 3.265 9.511 1.00 0.00 C ATOM 1453 O ARG A 96 -9.655 4.152 9.308 1.00 0.00 O ATOM 1454 CB ARG A 96 -7.499 3.593 11.568 1.00 0.00 C ATOM 1455 CG ARG A 96 -7.575 3.458 13.088 1.00 0.00 C ATOM 1456 CD ARG A 96 -6.220 2.996 13.622 1.00 0.00 C ATOM 1457 NE ARG A 96 -5.697 4.151 14.402 1.00 0.00 N ATOM 1458 CZ ARG A 96 -6.124 4.365 15.617 1.00 0.00 C ATOM 1459 NH1 ARG A 96 -5.525 3.797 16.627 1.00 0.00 N ATOM 1460 NH2 ARG A 96 -7.146 5.151 15.820 1.00 0.00 N ATOM 0 H ARG A 96 -7.231 1.182 11.491 1.00 0.00 H new ATOM 0 HA ARG A 96 -9.531 2.756 11.462 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -6.517 3.280 11.215 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -7.624 4.637 11.280 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -7.849 4.413 13.536 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -8.350 2.743 13.363 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -6.324 2.111 14.250 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -5.545 2.732 12.808 1.00 0.00 H new ATOM 0 HE ARG A 96 -5.005 4.775 13.987 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -4.724 3.186 16.467 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -5.858 3.964 17.577 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -7.611 5.598 15.030 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -7.480 5.318 16.769 1.00 0.00 H new ATOM 1474 N TYR A 97 -8.162 2.745 8.547 1.00 0.00 N ATOM 1475 CA TYR A 97 -8.345 3.234 7.159 1.00 0.00 C ATOM 1476 C TYR A 97 -9.758 2.875 6.679 1.00 0.00 C ATOM 1477 O TYR A 97 -10.475 3.720 6.183 1.00 0.00 O ATOM 1478 CB TYR A 97 -7.254 2.541 6.337 1.00 0.00 C ATOM 1479 CG TYR A 97 -5.881 3.095 6.668 1.00 0.00 C ATOM 1480 CD1 TYR A 97 -5.474 3.319 7.995 1.00 0.00 C ATOM 1481 CD2 TYR A 97 -5.002 3.385 5.619 1.00 0.00 C ATOM 1482 CE1 TYR A 97 -4.201 3.827 8.259 1.00 0.00 C ATOM 1483 CE2 TYR A 97 -3.731 3.895 5.887 1.00 0.00 C ATOM 1484 CZ TYR A 97 -3.328 4.116 7.207 1.00 0.00 C ATOM 1485 OH TYR A 97 -2.073 4.625 7.472 1.00 0.00 O ATOM 0 H TYR A 97 -7.476 1.998 8.658 1.00 0.00 H new ATOM 0 HA TYR A 97 -8.255 4.316 7.067 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -7.273 1.469 6.533 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -7.456 2.674 5.274 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -6.147 3.098 8.810 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -5.308 3.213 4.598 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -3.890 3.997 9.279 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -3.058 4.119 5.073 1.00 0.00 H new ATOM 0 HH TYR A 97 -1.423 3.892 7.504 1.00 0.00 H new ATOM 1495 N SER A 98 -10.177 1.638 6.860 1.00 0.00 N ATOM 1496 CA SER A 98 -11.559 1.223 6.468 1.00 0.00 C ATOM 1497 C SER A 98 -11.702 1.049 4.961 1.00 0.00 C ATOM 1498 O SER A 98 -12.420 1.789 4.323 1.00 0.00 O ATOM 1499 CB SER A 98 -12.474 2.348 6.954 1.00 0.00 C ATOM 1500 OG SER A 98 -12.021 2.806 8.222 1.00 0.00 O ATOM 0 H SER A 98 -9.610 0.895 7.267 1.00 0.00 H new ATOM 0 HA SER A 98 -11.808 0.257 6.908 1.00 0.00 H new ATOM 0 HB2 SER A 98 -12.474 3.169 6.236 1.00 0.00 H new ATOM 0 HB3 SER A 98 -13.501 1.991 7.029 1.00 0.00 H new ATOM 0 HG SER A 98 -12.604 3.528 8.536 1.00 0.00 H new ATOM 1506 N ASN A 99 -11.063 0.067 4.381 1.00 0.00 N ATOM 1507 CA ASN A 99 -11.225 -0.127 2.912 1.00 0.00 C ATOM 1508 C ASN A 99 -10.882 1.184 2.203 1.00 0.00 C ATOM 1509 O ASN A 99 -11.628 2.143 2.225 1.00 0.00 O ATOM 1510 CB ASN A 99 -12.690 -0.492 2.775 1.00 0.00 C ATOM 1511 CG ASN A 99 -12.833 -2.013 2.877 1.00 0.00 C ATOM 1512 OD1 ASN A 99 -13.700 -2.599 2.259 1.00 0.00 O ATOM 1513 ND2 ASN A 99 -12.007 -2.680 3.643 1.00 0.00 N ATOM 0 H ASN A 99 -10.448 -0.597 4.851 1.00 0.00 H new ATOM 0 HA ASN A 99 -10.580 -0.888 2.472 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -13.275 -0.005 3.556 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -13.079 -0.140 1.819 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -12.090 -3.694 3.722 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -11.280 -2.186 4.161 1.00 0.00 H new ATOM 1520 N ILE A 100 -9.709 1.249 1.653 1.00 0.00 N ATOM 1521 CA ILE A 100 -9.231 2.505 1.030 1.00 0.00 C ATOM 1522 C ILE A 100 -8.505 2.150 -0.302 1.00 0.00 C ATOM 1523 O ILE A 100 -9.035 1.340 -1.036 1.00 0.00 O ATOM 1524 CB ILE A 100 -8.336 3.078 2.153 1.00 0.00 C ATOM 1525 CG1 ILE A 100 -8.965 2.790 3.535 1.00 0.00 C ATOM 1526 CG2 ILE A 100 -8.216 4.597 2.015 1.00 0.00 C ATOM 1527 CD1 ILE A 100 -8.559 1.388 4.042 1.00 0.00 C ATOM 0 H ILE A 100 -9.050 0.472 1.608 1.00 0.00 H new ATOM 0 HA ILE A 100 -9.980 3.237 0.727 1.00 0.00 H new ATOM 0 HB ILE A 100 -7.356 2.607 2.069 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -8.644 3.547 4.250 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -10.051 2.856 3.466 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -7.583 4.986 2.813 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -7.774 4.841 1.049 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -9.206 5.048 2.085 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -9.013 1.208 5.016 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -8.903 0.632 3.336 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.474 1.334 4.132 1.00 0.00 H new ATOM 1539 N PRO A 101 -7.343 2.717 -0.631 1.00 0.00 N ATOM 1540 CA PRO A 101 -6.706 2.328 -1.923 1.00 0.00 C ATOM 1541 C PRO A 101 -6.317 0.846 -1.901 1.00 0.00 C ATOM 1542 O PRO A 101 -5.173 0.500 -1.689 1.00 0.00 O ATOM 1543 CB PRO A 101 -5.461 3.216 -2.008 1.00 0.00 C ATOM 1544 CG PRO A 101 -5.172 3.580 -0.597 1.00 0.00 C ATOM 1545 CD PRO A 101 -6.510 3.714 0.076 1.00 0.00 C ATOM 0 HA PRO A 101 -7.369 2.459 -2.778 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -4.624 2.685 -2.461 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -5.645 4.101 -2.617 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -4.566 2.815 -0.112 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -4.611 4.513 -0.541 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -6.447 3.502 1.143 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -6.913 4.721 -0.026 1.00 0.00 H new ATOM 1553 N LEU A 102 -7.259 -0.032 -2.119 1.00 0.00 N ATOM 1554 CA LEU A 102 -6.925 -1.488 -2.107 1.00 0.00 C ATOM 1555 C LEU A 102 -7.735 -2.251 -3.173 1.00 0.00 C ATOM 1556 O LEU A 102 -7.994 -1.731 -4.239 1.00 0.00 O ATOM 1557 CB LEU A 102 -7.246 -1.974 -0.679 1.00 0.00 C ATOM 1558 CG LEU A 102 -8.411 -1.197 -0.061 1.00 0.00 C ATOM 1559 CD1 LEU A 102 -9.638 -1.259 -0.977 1.00 0.00 C ATOM 1560 CD2 LEU A 102 -8.757 -1.839 1.286 1.00 0.00 C ATOM 0 H LEU A 102 -8.237 0.192 -2.303 1.00 0.00 H new ATOM 0 HA LEU A 102 -5.879 -1.668 -2.354 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -7.490 -3.036 -0.703 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -6.362 -1.864 -0.051 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.125 -0.154 0.071 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -10.458 -0.702 -0.524 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -9.392 -0.821 -1.944 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -9.937 -2.298 -1.115 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -9.586 -1.300 1.744 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -9.043 -2.879 1.131 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.889 -1.796 1.943 1.00 0.00 H new ATOM 1572 N LEU A 103 -8.114 -3.482 -2.899 1.00 0.00 N ATOM 1573 CA LEU A 103 -8.900 -4.296 -3.891 1.00 0.00 C ATOM 1574 C LEU A 103 -8.001 -4.782 -5.039 1.00 0.00 C ATOM 1575 O LEU A 103 -7.411 -5.842 -4.966 1.00 0.00 O ATOM 1576 CB LEU A 103 -10.019 -3.377 -4.418 1.00 0.00 C ATOM 1577 CG LEU A 103 -11.370 -3.838 -3.874 1.00 0.00 C ATOM 1578 CD1 LEU A 103 -11.248 -4.131 -2.379 1.00 0.00 C ATOM 1579 CD2 LEU A 103 -12.397 -2.727 -4.086 1.00 0.00 C ATOM 0 H LEU A 103 -7.910 -3.962 -2.022 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.315 -5.189 -3.424 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -9.828 -2.347 -4.116 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -10.031 -3.393 -5.508 1.00 0.00 H new ATOM 0 HG LEU A 103 -11.685 -4.742 -4.396 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -12.213 -4.460 -1.993 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -10.508 -4.915 -2.221 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -10.936 -3.227 -1.855 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -13.365 -3.048 -3.700 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -12.076 -1.829 -3.558 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -12.484 -2.511 -5.151 1.00 0.00 H new ATOM 1591 N THR A 104 -7.893 -4.023 -6.094 1.00 0.00 N ATOM 1592 CA THR A 104 -7.037 -4.443 -7.239 1.00 0.00 C ATOM 1593 C THR A 104 -6.987 -3.322 -8.278 1.00 0.00 C ATOM 1594 O THR A 104 -6.859 -3.552 -9.464 1.00 0.00 O ATOM 1595 CB THR A 104 -7.710 -5.691 -7.815 1.00 0.00 C ATOM 1596 OG1 THR A 104 -6.800 -6.357 -8.680 1.00 0.00 O ATOM 1597 CG2 THR A 104 -8.960 -5.286 -8.598 1.00 0.00 C ATOM 0 H THR A 104 -8.363 -3.126 -6.213 1.00 0.00 H new ATOM 0 HA THR A 104 -6.010 -4.652 -6.938 1.00 0.00 H new ATOM 0 HB THR A 104 -7.997 -6.359 -7.003 1.00 0.00 H new ATOM 0 HG1 THR A 104 -6.437 -5.718 -9.328 1.00 0.00 H new ATOM 0 HG21 THR A 104 -9.437 -6.176 -9.007 1.00 0.00 H new ATOM 0 HG22 THR A 104 -9.656 -4.774 -7.933 1.00 0.00 H new ATOM 0 HG23 THR A 104 -8.679 -4.618 -9.412 1.00 0.00 H new ATOM 1605 N LYS A 105 -7.090 -2.109 -7.824 1.00 0.00 N ATOM 1606 CA LYS A 105 -7.054 -0.941 -8.745 1.00 0.00 C ATOM 1607 C LYS A 105 -5.939 -1.092 -9.792 1.00 0.00 C ATOM 1608 O LYS A 105 -4.778 -0.899 -9.490 1.00 0.00 O ATOM 1609 CB LYS A 105 -6.772 0.248 -7.820 1.00 0.00 C ATOM 1610 CG LYS A 105 -5.629 -0.100 -6.857 1.00 0.00 C ATOM 1611 CD LYS A 105 -4.385 0.709 -7.223 1.00 0.00 C ATOM 1612 CE LYS A 105 -4.239 1.889 -6.261 1.00 0.00 C ATOM 1613 NZ LYS A 105 -3.810 3.025 -7.121 1.00 0.00 N ATOM 0 H LYS A 105 -7.199 -1.872 -6.838 1.00 0.00 H new ATOM 0 HA LYS A 105 -7.979 -0.829 -9.311 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -6.507 1.125 -8.411 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -7.670 0.502 -7.256 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -5.926 0.116 -5.831 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -5.409 -1.166 -6.908 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -3.499 0.075 -7.174 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -4.462 1.070 -8.248 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -5.180 2.108 -5.756 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -3.503 1.679 -5.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -3.687 3.876 -6.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -2.909 2.789 -7.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -4.534 3.205 -7.846 1.00 0.00 H new ATOM 1627 N PRO A 106 -6.336 -1.415 -10.999 1.00 0.00 N ATOM 1628 CA PRO A 106 -5.362 -1.572 -12.114 1.00 0.00 C ATOM 1629 C PRO A 106 -4.703 -0.227 -12.473 1.00 0.00 C ATOM 1630 O PRO A 106 -3.538 -0.014 -12.202 1.00 0.00 O ATOM 1631 CB PRO A 106 -6.217 -2.103 -13.265 1.00 0.00 C ATOM 1632 CG PRO A 106 -7.610 -1.666 -12.942 1.00 0.00 C ATOM 1633 CD PRO A 106 -7.716 -1.668 -11.439 1.00 0.00 C ATOM 0 HA PRO A 106 -4.535 -2.237 -11.865 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -5.887 -1.698 -14.222 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -6.150 -3.188 -13.339 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -7.809 -0.673 -13.344 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -8.342 -2.342 -13.384 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -8.399 -0.896 -11.083 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -8.089 -2.621 -11.064 1.00 0.00 H new ATOM 1641 N PHE A 107 -5.426 0.682 -13.079 1.00 0.00 N ATOM 1642 CA PHE A 107 -4.815 2.001 -13.444 1.00 0.00 C ATOM 1643 C PHE A 107 -5.903 3.019 -13.818 1.00 0.00 C ATOM 1644 O PHE A 107 -7.019 2.661 -14.134 1.00 0.00 O ATOM 1645 CB PHE A 107 -3.930 1.702 -14.655 1.00 0.00 C ATOM 1646 CG PHE A 107 -2.480 1.952 -14.305 1.00 0.00 C ATOM 1647 CD1 PHE A 107 -2.082 3.195 -13.797 1.00 0.00 C ATOM 1648 CD2 PHE A 107 -1.533 0.938 -14.495 1.00 0.00 C ATOM 1649 CE1 PHE A 107 -0.736 3.424 -13.480 1.00 0.00 C ATOM 1650 CE2 PHE A 107 -0.188 1.167 -14.177 1.00 0.00 C ATOM 1651 CZ PHE A 107 0.210 2.409 -13.670 1.00 0.00 C ATOM 0 H PHE A 107 -6.407 0.571 -13.336 1.00 0.00 H new ATOM 0 HA PHE A 107 -4.253 2.433 -12.616 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -4.065 0.667 -14.968 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -4.224 2.330 -15.496 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -2.812 3.977 -13.650 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -1.840 -0.021 -14.887 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -0.429 4.383 -13.089 1.00 0.00 H new ATOM 0 HE2 PHE A 107 0.542 0.385 -14.323 1.00 0.00 H new ATOM 0 HZ PHE A 107 1.247 2.585 -13.425 1.00 0.00 H new ATOM 1661 N LEU A 108 -5.577 4.288 -13.787 1.00 0.00 N ATOM 1662 CA LEU A 108 -6.580 5.342 -14.145 1.00 0.00 C ATOM 1663 C LEU A 108 -7.795 5.264 -13.216 1.00 0.00 C ATOM 1664 O LEU A 108 -7.726 5.652 -12.063 1.00 0.00 O ATOM 1665 CB LEU A 108 -6.967 5.033 -15.588 1.00 0.00 C ATOM 1666 CG LEU A 108 -5.713 5.071 -16.455 1.00 0.00 C ATOM 1667 CD1 LEU A 108 -6.071 4.673 -17.886 1.00 0.00 C ATOM 1668 CD2 LEU A 108 -5.135 6.488 -16.441 1.00 0.00 C ATOM 0 H LEU A 108 -4.656 4.642 -13.528 1.00 0.00 H new ATOM 0 HA LEU A 108 -6.182 6.351 -14.039 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -7.438 4.052 -15.650 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -7.695 5.760 -15.947 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.973 4.373 -16.064 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -5.175 4.700 -18.506 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -6.485 3.665 -17.890 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -6.809 5.370 -18.284 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -4.238 6.521 -17.059 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -5.874 7.186 -16.835 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -4.881 6.767 -15.418 1.00 0.00 H new ATOM 1680 N ASP A 109 -8.904 4.746 -13.687 1.00 0.00 N ATOM 1681 CA ASP A 109 -10.092 4.633 -12.794 1.00 0.00 C ATOM 1682 C ASP A 109 -9.624 4.052 -11.463 1.00 0.00 C ATOM 1683 O ASP A 109 -10.216 4.260 -10.423 1.00 0.00 O ATOM 1684 CB ASP A 109 -11.045 3.672 -13.509 1.00 0.00 C ATOM 1685 CG ASP A 109 -10.255 2.482 -14.057 1.00 0.00 C ATOM 1686 OD1 ASP A 109 -9.535 1.869 -13.285 1.00 0.00 O ATOM 1687 OD2 ASP A 109 -10.382 2.204 -15.238 1.00 0.00 O ATOM 0 H ASP A 109 -9.034 4.402 -14.638 1.00 0.00 H new ATOM 0 HA ASP A 109 -10.583 5.586 -12.596 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -11.814 3.325 -12.819 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -11.556 4.188 -14.322 1.00 0.00 H new ATOM 1692 N SER A 110 -8.539 3.333 -11.511 1.00 0.00 N ATOM 1693 CA SER A 110 -7.960 2.725 -10.291 1.00 0.00 C ATOM 1694 C SER A 110 -7.548 3.808 -9.289 1.00 0.00 C ATOM 1695 O SER A 110 -8.112 3.920 -8.218 1.00 0.00 O ATOM 1696 CB SER A 110 -6.733 2.000 -10.824 1.00 0.00 C ATOM 1697 OG SER A 110 -7.149 0.792 -11.428 1.00 0.00 O ATOM 0 H SER A 110 -8.020 3.139 -12.367 1.00 0.00 H new ATOM 0 HA SER A 110 -8.656 2.073 -9.762 1.00 0.00 H new ATOM 0 HB2 SER A 110 -6.210 2.624 -11.548 1.00 0.00 H new ATOM 0 HB3 SER A 110 -6.033 1.796 -10.014 1.00 0.00 H new ATOM 0 HG SER A 110 -7.963 0.951 -11.950 1.00 0.00 H new ATOM 1703 N GLU A 111 -6.561 4.599 -9.632 1.00 0.00 N ATOM 1704 CA GLU A 111 -6.097 5.675 -8.707 1.00 0.00 C ATOM 1705 C GLU A 111 -7.292 6.317 -8.004 1.00 0.00 C ATOM 1706 O GLU A 111 -7.253 6.599 -6.822 1.00 0.00 O ATOM 1707 CB GLU A 111 -5.385 6.693 -9.601 1.00 0.00 C ATOM 1708 CG GLU A 111 -4.376 7.486 -8.768 1.00 0.00 C ATOM 1709 CD GLU A 111 -3.997 8.773 -9.504 1.00 0.00 C ATOM 1710 OE1 GLU A 111 -4.870 9.355 -10.126 1.00 0.00 O ATOM 1711 OE2 GLU A 111 -2.840 9.155 -9.431 1.00 0.00 O ATOM 0 H GLU A 111 -6.056 4.544 -10.517 1.00 0.00 H new ATOM 0 HA GLU A 111 -5.439 5.293 -7.927 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -4.876 6.182 -10.418 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -6.112 7.369 -10.051 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -4.802 7.725 -7.794 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -3.486 6.883 -8.587 1.00 0.00 H new ATOM 1718 N LEU A 112 -8.360 6.538 -8.718 1.00 0.00 N ATOM 1719 CA LEU A 112 -9.563 7.152 -8.072 1.00 0.00 C ATOM 1720 C LEU A 112 -9.826 6.447 -6.745 1.00 0.00 C ATOM 1721 O LEU A 112 -9.728 7.032 -5.684 1.00 0.00 O ATOM 1722 CB LEU A 112 -10.745 6.916 -9.020 1.00 0.00 C ATOM 1723 CG LEU A 112 -10.320 7.121 -10.469 1.00 0.00 C ATOM 1724 CD1 LEU A 112 -11.567 7.231 -11.348 1.00 0.00 C ATOM 1725 CD2 LEU A 112 -9.495 8.405 -10.587 1.00 0.00 C ATOM 0 H LEU A 112 -8.456 6.324 -9.711 1.00 0.00 H new ATOM 0 HA LEU A 112 -9.418 8.216 -7.886 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -11.128 5.904 -8.887 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -11.558 7.599 -8.774 1.00 0.00 H new ATOM 0 HG LEU A 112 -9.715 6.275 -10.795 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -11.269 7.378 -12.386 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -12.153 6.316 -11.265 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -12.170 8.078 -11.020 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -9.192 8.549 -11.624 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -10.096 9.255 -10.263 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.608 8.327 -9.958 1.00 0.00 H new ATOM 1737 N GLU A 113 -10.147 5.182 -6.798 1.00 0.00 N ATOM 1738 CA GLU A 113 -10.400 4.430 -5.541 1.00 0.00 C ATOM 1739 C GLU A 113 -9.276 4.696 -4.567 1.00 0.00 C ATOM 1740 O GLU A 113 -9.444 4.596 -3.374 1.00 0.00 O ATOM 1741 CB GLU A 113 -10.395 2.948 -5.934 1.00 0.00 C ATOM 1742 CG GLU A 113 -11.290 2.742 -7.159 1.00 0.00 C ATOM 1743 CD GLU A 113 -11.994 1.389 -7.061 1.00 0.00 C ATOM 1744 OE1 GLU A 113 -11.330 0.383 -7.249 1.00 0.00 O ATOM 1745 OE2 GLU A 113 -13.186 1.382 -6.802 1.00 0.00 O ATOM 0 H GLU A 113 -10.244 4.640 -7.657 1.00 0.00 H new ATOM 0 HA GLU A 113 -11.340 4.722 -5.072 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -9.378 2.623 -6.154 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -10.752 2.339 -5.103 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -12.027 3.543 -7.222 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -10.693 2.787 -8.070 1.00 0.00 H new ATOM 1752 N ALA A 114 -8.120 5.011 -5.065 1.00 0.00 N ATOM 1753 CA ALA A 114 -6.985 5.237 -4.138 1.00 0.00 C ATOM 1754 C ALA A 114 -6.948 6.671 -3.611 1.00 0.00 C ATOM 1755 O ALA A 114 -6.413 6.928 -2.551 1.00 0.00 O ATOM 1756 CB ALA A 114 -5.734 4.931 -4.960 1.00 0.00 C ATOM 0 H ALA A 114 -7.912 5.121 -6.058 1.00 0.00 H new ATOM 0 HA ALA A 114 -7.069 4.605 -3.254 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -4.848 5.076 -4.342 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -5.770 3.898 -5.307 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -5.690 5.601 -5.819 1.00 0.00 H new ATOM 1762 N VAL A 115 -7.493 7.609 -4.325 1.00 0.00 N ATOM 1763 CA VAL A 115 -7.452 9.010 -3.825 1.00 0.00 C ATOM 1764 C VAL A 115 -8.829 9.440 -3.323 1.00 0.00 C ATOM 1765 O VAL A 115 -8.949 10.321 -2.495 1.00 0.00 O ATOM 1766 CB VAL A 115 -7.023 9.853 -5.024 1.00 0.00 C ATOM 1767 CG1 VAL A 115 -6.542 11.220 -4.535 1.00 0.00 C ATOM 1768 CG2 VAL A 115 -5.884 9.149 -5.766 1.00 0.00 C ATOM 0 H VAL A 115 -7.960 7.473 -5.222 1.00 0.00 H new ATOM 0 HA VAL A 115 -6.766 9.124 -2.986 1.00 0.00 H new ATOM 0 HB VAL A 115 -7.869 9.981 -5.699 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -6.235 11.824 -5.389 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -7.352 11.723 -4.007 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -5.696 11.088 -3.861 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -5.579 9.752 -6.621 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -5.036 9.020 -5.093 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -6.224 8.173 -6.113 1.00 0.00 H new ATOM 1778 N LEU A 116 -9.869 8.823 -3.805 1.00 0.00 N ATOM 1779 CA LEU A 116 -11.228 9.201 -3.336 1.00 0.00 C ATOM 1780 C LEU A 116 -11.496 8.549 -1.980 1.00 0.00 C ATOM 1781 O LEU A 116 -12.063 9.152 -1.090 1.00 0.00 O ATOM 1782 CB LEU A 116 -12.185 8.659 -4.396 1.00 0.00 C ATOM 1783 CG LEU A 116 -12.509 9.763 -5.403 1.00 0.00 C ATOM 1784 CD1 LEU A 116 -13.420 10.805 -4.748 1.00 0.00 C ATOM 1785 CD2 LEU A 116 -11.212 10.437 -5.855 1.00 0.00 C ATOM 0 H LEU A 116 -9.837 8.077 -4.500 1.00 0.00 H new ATOM 0 HA LEU A 116 -11.345 10.277 -3.209 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -11.735 7.807 -4.906 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -13.101 8.301 -3.926 1.00 0.00 H new ATOM 0 HG LEU A 116 -13.015 9.328 -6.265 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -13.650 11.591 -5.467 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -14.345 10.328 -4.424 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -12.915 11.239 -3.885 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -11.442 11.224 -6.573 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -10.707 10.870 -4.992 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -10.562 9.698 -6.323 1.00 0.00 H new