USER MOD reduce.3.24.130724 H: found=0, std=0, add=622, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 620 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 11 THR OG1 : rot -27:sc= 0.139 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= -0.255 X(o=-0.25,f=-0.28) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 45 HIS :FLIP no HD1:sc= -1.67 F(o=-2.7,f=-1.7) USER MOD Single : A 46 LYS NZ :NH3+ -175:sc= 1.18 (180deg=1.17) USER MOD Single : A 54 SER OG : rot -93:sc= 1.13 USER MOD Single : A 59 CYS SG : rot -170:sc= -0.352 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 162:sc= 1.18 (180deg=0.91) USER MOD Single : A 72 ASN : amide:sc= 0.563 K(o=0.56,f=-3.8!) USER MOD Single : A 74 GLN : amide:sc=-0.00228 K(o=-0.0023,f=-1.8!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.0162 X(o=-0.016,f=0) USER MOD Single : A 79 MET CE :methyl -145:sc= -1.01 (180deg=-1.12) USER MOD Single : A 81 HIS : no HD1:sc= -0.101 X(o=-0.1,f=-0.3) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0047) USER MOD Single : A 94 SER OG : rot 180:sc= 0.0369 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 113 N THR A 11 -9.092 -11.139 -8.936 1.00 0.00 N ATOM 114 CA THR A 11 -8.347 -9.988 -8.439 1.00 0.00 C ATOM 115 C THR A 11 -9.028 -8.698 -8.922 1.00 0.00 C ATOM 116 O THR A 11 -9.571 -8.703 -10.029 1.00 0.00 O ATOM 117 CB THR A 11 -6.897 -10.038 -8.963 1.00 0.00 C ATOM 118 OG1 THR A 11 -6.853 -10.182 -10.377 1.00 0.00 O ATOM 119 CG2 THR A 11 -6.066 -11.175 -8.363 1.00 0.00 C ATOM 0 HA THR A 11 -8.332 -10.008 -7.349 1.00 0.00 H new ATOM 0 HB THR A 11 -6.467 -9.085 -8.655 1.00 0.00 H new ATOM 0 HG1 THR A 11 -7.661 -10.644 -10.684 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.058 -11.147 -8.778 1.00 0.00 H new ATOM 0 HG22 THR A 11 -6.016 -11.057 -7.281 1.00 0.00 H new ATOM 0 HG23 THR A 11 -6.531 -12.131 -8.603 1.00 0.00 H new ATOM 127 N SER A 12 -8.873 -7.581 -8.208 1.00 0.00 N ATOM 128 CA SER A 12 -9.152 -6.229 -8.707 1.00 0.00 C ATOM 129 C SER A 12 -7.848 -5.417 -8.752 1.00 0.00 C ATOM 130 O SER A 12 -6.798 -5.882 -8.300 1.00 0.00 O ATOM 131 CB SER A 12 -10.220 -5.592 -7.810 1.00 0.00 C ATOM 132 OG SER A 12 -10.767 -4.389 -8.306 1.00 0.00 O ATOM 0 H SER A 12 -8.542 -7.590 -7.243 1.00 0.00 H new ATOM 0 HA SER A 12 -9.541 -6.255 -9.725 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.028 -6.309 -7.665 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.784 -5.400 -6.830 1.00 0.00 H new ATOM 0 HG SER A 12 -11.439 -4.051 -7.677 1.00 0.00 H new ATOM 138 N ASP A 13 -7.915 -4.204 -9.303 1.00 0.00 N ATOM 139 CA ASP A 13 -6.893 -3.170 -9.252 1.00 0.00 C ATOM 140 C ASP A 13 -7.574 -1.831 -8.922 1.00 0.00 C ATOM 141 O ASP A 13 -8.119 -1.144 -9.782 1.00 0.00 O ATOM 142 CB ASP A 13 -6.030 -3.164 -10.529 1.00 0.00 C ATOM 143 CG ASP A 13 -6.660 -2.487 -11.751 1.00 0.00 C ATOM 144 OD1 ASP A 13 -7.721 -2.974 -12.212 1.00 0.00 O ATOM 145 OD2 ASP A 13 -6.055 -1.513 -12.257 1.00 0.00 O ATOM 0 H ASP A 13 -8.737 -3.904 -9.828 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.175 -3.371 -8.456 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.087 -2.666 -10.306 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.792 -4.195 -10.790 1.00 0.00 H new ATOM 150 N VAL A 14 -7.604 -1.468 -7.646 1.00 0.00 N ATOM 151 CA VAL A 14 -8.367 -0.333 -7.132 1.00 0.00 C ATOM 152 C VAL A 14 -7.408 0.843 -6.969 1.00 0.00 C ATOM 153 O VAL A 14 -6.557 0.794 -6.079 1.00 0.00 O ATOM 154 CB VAL A 14 -9.048 -0.702 -5.797 1.00 0.00 C ATOM 155 CG1 VAL A 14 -10.097 0.367 -5.465 1.00 0.00 C ATOM 156 CG2 VAL A 14 -9.698 -2.094 -5.817 1.00 0.00 C ATOM 0 H VAL A 14 -7.087 -1.965 -6.921 1.00 0.00 H new ATOM 0 HA VAL A 14 -9.161 -0.058 -7.826 1.00 0.00 H new ATOM 0 HB VAL A 14 -8.275 -0.737 -5.029 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.586 0.117 -4.523 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -9.611 1.338 -5.375 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -10.841 0.406 -6.260 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.159 -2.294 -4.850 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -10.459 -2.129 -6.596 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -8.937 -2.848 -6.019 1.00 0.00 H new ATOM 166 N VAL A 15 -7.496 1.868 -7.819 1.00 0.00 N ATOM 167 CA VAL A 15 -6.512 2.948 -7.876 1.00 0.00 C ATOM 168 C VAL A 15 -7.062 4.240 -7.245 1.00 0.00 C ATOM 169 O VAL A 15 -8.114 4.744 -7.649 1.00 0.00 O ATOM 170 CB VAL A 15 -5.960 3.044 -9.312 1.00 0.00 C ATOM 171 CG1 VAL A 15 -6.974 3.511 -10.356 1.00 0.00 C ATOM 172 CG2 VAL A 15 -4.747 3.967 -9.396 1.00 0.00 C ATOM 0 H VAL A 15 -8.257 1.972 -8.491 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.643 2.737 -7.252 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.685 2.016 -9.547 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.497 3.548 -11.335 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.812 2.814 -10.387 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.337 4.504 -10.091 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.390 4.006 -10.425 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.029 4.969 -9.072 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -3.955 3.586 -8.751 1.00 0.00 H new ATOM 182 N ILE A 16 -6.381 4.751 -6.209 1.00 0.00 N ATOM 183 CA ILE A 16 -6.828 5.840 -5.334 1.00 0.00 C ATOM 184 C ILE A 16 -5.679 6.841 -5.139 1.00 0.00 C ATOM 185 O ILE A 16 -4.581 6.456 -4.736 1.00 0.00 O ATOM 186 CB ILE A 16 -7.294 5.267 -3.967 1.00 0.00 C ATOM 187 CG1 ILE A 16 -8.281 4.095 -4.168 1.00 0.00 C ATOM 188 CG2 ILE A 16 -7.930 6.369 -3.087 1.00 0.00 C ATOM 189 CD1 ILE A 16 -8.873 3.540 -2.877 1.00 0.00 C ATOM 0 H ILE A 16 -5.460 4.398 -5.948 1.00 0.00 H new ATOM 0 HA ILE A 16 -7.672 6.355 -5.794 1.00 0.00 H new ATOM 0 HB ILE A 16 -6.413 4.888 -3.449 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -9.095 4.428 -4.812 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -7.767 3.290 -4.693 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -8.247 5.938 -2.137 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -7.198 7.155 -2.903 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -8.794 6.791 -3.600 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -9.554 2.722 -3.111 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -8.071 3.173 -2.237 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -9.418 4.328 -2.358 1.00 0.00 H new ATOM 201 N HIS A 17 -5.949 8.135 -5.356 1.00 0.00 N ATOM 202 CA HIS A 17 -4.989 9.248 -5.281 1.00 0.00 C ATOM 203 C HIS A 17 -5.243 10.129 -4.041 1.00 0.00 C ATOM 204 O HIS A 17 -6.407 10.340 -3.666 1.00 0.00 O ATOM 205 CB HIS A 17 -5.124 10.115 -6.546 1.00 0.00 C ATOM 206 CG HIS A 17 -5.062 9.339 -7.840 1.00 0.00 C ATOM 207 ND1 HIS A 17 -3.964 9.219 -8.658 1.00 0.00 N ATOM 208 CD2 HIS A 17 -6.080 8.617 -8.402 1.00 0.00 C ATOM 209 CE1 HIS A 17 -4.304 8.428 -9.691 1.00 0.00 C ATOM 210 NE2 HIS A 17 -5.576 8.006 -9.554 1.00 0.00 N ATOM 0 H HIS A 17 -6.887 8.451 -5.600 1.00 0.00 H new ATOM 0 HA HIS A 17 -3.986 8.829 -5.205 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -6.071 10.654 -6.504 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -4.331 10.863 -6.546 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -7.088 8.534 -8.024 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -3.652 8.169 -10.512 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -6.075 7.365 -10.171 1.00 0.00 H new ATOM 218 N ARG A 18 -4.199 10.673 -3.391 1.00 0.00 N ATOM 219 CA ARG A 18 -4.291 11.603 -2.238 1.00 0.00 C ATOM 220 C ARG A 18 -3.495 12.879 -2.499 1.00 0.00 C ATOM 221 O ARG A 18 -2.812 12.990 -3.516 1.00 0.00 O ATOM 222 CB ARG A 18 -3.828 10.981 -0.907 1.00 0.00 C ATOM 223 CG ARG A 18 -2.553 10.127 -0.993 1.00 0.00 C ATOM 224 CD ARG A 18 -2.169 9.491 0.344 1.00 0.00 C ATOM 225 NE ARG A 18 -0.777 9.009 0.336 1.00 0.00 N ATOM 226 CZ ARG A 18 -0.194 8.224 1.252 1.00 0.00 C ATOM 227 NH1 ARG A 18 -0.915 7.612 2.184 1.00 0.00 N ATOM 228 NH2 ARG A 18 1.119 8.057 1.243 1.00 0.00 N ATOM 0 H ARG A 18 -3.235 10.475 -3.658 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.351 11.836 -2.138 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.661 11.783 -0.188 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.635 10.363 -0.513 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.698 9.341 -1.735 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -1.729 10.748 -1.344 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.298 10.220 1.144 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.841 8.660 0.559 1.00 0.00 H new ATOM 0 HE ARG A 18 -0.196 9.304 -0.449 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.927 7.736 2.209 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -0.457 7.017 2.875 1.00 0.00 H new ATOM 0 HH21 ARG A 18 1.688 8.526 0.538 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.562 7.459 1.941 1.00 0.00 H new ATOM 242 N LYS A 19 -3.566 13.840 -1.580 1.00 0.00 N ATOM 243 CA LYS A 19 -2.578 14.910 -1.452 1.00 0.00 C ATOM 244 C LYS A 19 -1.383 14.349 -0.675 1.00 0.00 C ATOM 245 O LYS A 19 -1.496 13.284 -0.071 1.00 0.00 O ATOM 246 CB LYS A 19 -3.155 16.128 -0.719 1.00 0.00 C ATOM 247 CG LYS A 19 -3.942 17.060 -1.639 1.00 0.00 C ATOM 248 CD LYS A 19 -5.443 16.794 -1.697 1.00 0.00 C ATOM 249 CE LYS A 19 -5.857 15.468 -2.335 1.00 0.00 C ATOM 250 NZ LYS A 19 -7.262 15.505 -2.771 1.00 0.00 N ATOM 0 H LYS A 19 -4.320 13.898 -0.895 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.278 15.246 -2.444 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.806 15.786 0.086 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.341 16.686 -0.256 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.783 18.088 -1.312 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.535 16.979 -2.647 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.839 16.827 -0.682 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.916 17.606 -2.250 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.214 15.255 -3.189 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.716 14.657 -1.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.516 14.593 -3.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.875 15.685 -1.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.388 16.264 -3.471 1.00 0.00 H new ATOM 264 N GLU A 20 -0.267 15.078 -0.605 1.00 0.00 N ATOM 265 CA GLU A 20 0.887 14.612 0.167 1.00 0.00 C ATOM 266 C GLU A 20 0.606 14.628 1.669 1.00 0.00 C ATOM 267 O GLU A 20 1.100 13.770 2.396 1.00 0.00 O ATOM 268 CB GLU A 20 2.134 15.476 -0.128 1.00 0.00 C ATOM 269 CG GLU A 20 3.341 14.651 -0.603 1.00 0.00 C ATOM 270 CD GLU A 20 3.702 13.481 0.320 1.00 0.00 C ATOM 271 OE1 GLU A 20 4.167 13.704 1.459 1.00 0.00 O ATOM 272 OE2 GLU A 20 3.482 12.309 -0.079 1.00 0.00 O ATOM 0 H GLU A 20 -0.138 15.979 -1.065 1.00 0.00 H new ATOM 0 HA GLU A 20 1.078 13.584 -0.140 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.885 16.215 -0.889 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.409 16.026 0.772 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.132 14.262 -1.600 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.205 15.309 -0.692 1.00 0.00 H new ATOM 279 N ASN A 21 -0.157 15.615 2.149 1.00 0.00 N ATOM 280 CA ASN A 21 -0.329 15.806 3.587 1.00 0.00 C ATOM 281 C ASN A 21 -1.191 14.705 4.194 1.00 0.00 C ATOM 282 O ASN A 21 -0.826 14.140 5.226 1.00 0.00 O ATOM 283 CB ASN A 21 -0.941 17.177 3.895 1.00 0.00 C ATOM 284 CG ASN A 21 0.065 18.299 3.699 1.00 0.00 C ATOM 285 OD1 ASN A 21 1.137 18.281 4.301 1.00 0.00 O ATOM 286 ND2 ASN A 21 -0.260 19.299 2.896 1.00 0.00 N ATOM 0 H ASN A 21 -0.659 16.286 1.568 1.00 0.00 H new ATOM 0 HA ASN A 21 0.662 15.757 4.038 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.803 17.344 3.249 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.305 17.190 4.922 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.385 20.078 2.765 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -1.155 19.291 2.408 1.00 0.00 H new ATOM 293 N GLU A 22 -2.326 14.404 3.561 1.00 0.00 N ATOM 294 CA GLU A 22 -3.276 13.415 4.072 1.00 0.00 C ATOM 295 C GLU A 22 -2.768 12.000 3.806 1.00 0.00 C ATOM 296 O GLU A 22 -1.862 11.782 3.001 1.00 0.00 O ATOM 297 CB GLU A 22 -4.693 13.603 3.477 1.00 0.00 C ATOM 298 CG GLU A 22 -4.709 13.726 1.941 1.00 0.00 C ATOM 299 CD GLU A 22 -6.023 13.343 1.234 1.00 0.00 C ATOM 300 OE1 GLU A 22 -7.056 13.129 1.913 1.00 0.00 O ATOM 301 OE2 GLU A 22 -6.000 13.272 -0.023 1.00 0.00 O ATOM 0 H GLU A 22 -2.612 14.837 2.683 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.355 13.569 5.148 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.316 12.758 3.771 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.143 14.497 3.909 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.468 14.756 1.679 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.911 13.101 1.540 1.00 0.00 H new ATOM 308 N GLY A 23 -3.396 11.023 4.450 1.00 0.00 N ATOM 309 CA GLY A 23 -3.236 9.620 4.140 1.00 0.00 C ATOM 310 C GLY A 23 -4.202 9.208 3.037 1.00 0.00 C ATOM 311 O GLY A 23 -4.991 10.014 2.537 1.00 0.00 O ATOM 0 H GLY A 23 -4.044 11.196 5.219 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.211 9.425 3.826 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.416 9.021 5.033 1.00 0.00 H new ATOM 315 N PHE A 24 -4.187 7.926 2.681 1.00 0.00 N ATOM 316 CA PHE A 24 -5.381 7.270 2.192 1.00 0.00 C ATOM 317 C PHE A 24 -6.276 7.152 3.423 1.00 0.00 C ATOM 318 O PHE A 24 -5.790 6.934 4.539 1.00 0.00 O ATOM 319 CB PHE A 24 -5.020 5.881 1.661 1.00 0.00 C ATOM 320 CG PHE A 24 -3.987 5.915 0.560 1.00 0.00 C ATOM 321 CD1 PHE A 24 -4.377 6.402 -0.694 1.00 0.00 C ATOM 322 CD2 PHE A 24 -2.646 5.550 0.786 1.00 0.00 C ATOM 323 CE1 PHE A 24 -3.413 6.647 -1.682 1.00 0.00 C ATOM 324 CE2 PHE A 24 -1.688 5.757 -0.228 1.00 0.00 C ATOM 325 CZ PHE A 24 -2.066 6.330 -1.451 1.00 0.00 C ATOM 0 H PHE A 24 -3.361 7.329 2.724 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.865 7.812 1.379 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -4.646 5.271 2.483 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -5.922 5.396 1.289 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.421 6.589 -0.900 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.353 5.114 1.730 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.709 7.082 -2.625 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.659 5.473 -0.062 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.324 6.526 -2.211 1.00 0.00 H new ATOM 335 N GLY A 25 -7.584 7.266 3.257 1.00 0.00 N ATOM 336 CA GLY A 25 -8.484 7.238 4.392 1.00 0.00 C ATOM 337 C GLY A 25 -8.852 5.826 4.807 1.00 0.00 C ATOM 338 O GLY A 25 -10.027 5.596 5.045 1.00 0.00 O ATOM 0 H GLY A 25 -8.041 7.378 2.352 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.018 7.751 5.234 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -9.392 7.789 4.146 1.00 0.00 H new ATOM 342 N PHE A 26 -7.898 4.903 4.888 1.00 0.00 N ATOM 343 CA PHE A 26 -8.101 3.522 5.284 1.00 0.00 C ATOM 344 C PHE A 26 -7.082 3.114 6.337 1.00 0.00 C ATOM 345 O PHE A 26 -6.014 3.729 6.436 1.00 0.00 O ATOM 346 CB PHE A 26 -8.030 2.636 4.036 1.00 0.00 C ATOM 347 CG PHE A 26 -6.672 2.450 3.366 1.00 0.00 C ATOM 348 CD1 PHE A 26 -5.662 1.685 3.984 1.00 0.00 C ATOM 349 CD2 PHE A 26 -6.442 2.974 2.079 1.00 0.00 C ATOM 350 CE1 PHE A 26 -4.436 1.458 3.333 1.00 0.00 C ATOM 351 CE2 PHE A 26 -5.226 2.720 1.413 1.00 0.00 C ATOM 352 CZ PHE A 26 -4.218 1.972 2.044 1.00 0.00 C ATOM 0 H PHE A 26 -6.924 5.110 4.669 1.00 0.00 H new ATOM 0 HA PHE A 26 -9.085 3.401 5.738 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.408 1.649 4.305 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.715 3.048 3.295 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -5.831 1.269 4.966 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -7.202 3.574 1.600 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.662 0.888 3.825 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -5.069 3.101 0.415 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.280 1.793 1.540 1.00 0.00 H new ATOM 362 N VAL A 27 -7.385 2.040 7.069 1.00 0.00 N ATOM 363 CA VAL A 27 -6.530 1.460 8.094 1.00 0.00 C ATOM 364 C VAL A 27 -6.560 -0.066 7.931 1.00 0.00 C ATOM 365 O VAL A 27 -7.655 -0.645 7.899 1.00 0.00 O ATOM 366 CB VAL A 27 -7.027 1.885 9.495 1.00 0.00 C ATOM 367 CG1 VAL A 27 -6.003 1.520 10.576 1.00 0.00 C ATOM 368 CG2 VAL A 27 -7.325 3.389 9.618 1.00 0.00 C ATOM 0 H VAL A 27 -8.265 1.536 6.957 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.505 1.814 7.988 1.00 0.00 H new ATOM 0 HB VAL A 27 -7.960 1.340 9.637 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -6.378 1.830 11.552 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -5.842 0.442 10.575 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.061 2.028 10.371 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -7.669 3.610 10.628 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -6.419 3.958 9.410 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -8.099 3.666 8.903 1.00 0.00 H new ATOM 378 N ILE A 28 -5.394 -0.719 7.834 1.00 0.00 N ATOM 379 CA ILE A 28 -5.303 -2.175 7.872 1.00 0.00 C ATOM 380 C ILE A 28 -5.525 -2.595 9.330 1.00 0.00 C ATOM 381 O ILE A 28 -5.028 -1.938 10.252 1.00 0.00 O ATOM 382 CB ILE A 28 -3.925 -2.667 7.352 1.00 0.00 C ATOM 383 CG1 ILE A 28 -3.622 -2.199 5.908 1.00 0.00 C ATOM 384 CG2 ILE A 28 -3.817 -4.205 7.397 1.00 0.00 C ATOM 385 CD1 ILE A 28 -2.142 -2.156 5.521 1.00 0.00 C ATOM 0 H ILE A 28 -4.494 -0.250 7.728 1.00 0.00 H new ATOM 0 HA ILE A 28 -6.053 -2.624 7.221 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.191 -2.221 8.023 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -4.141 -2.861 5.215 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.043 -1.203 5.773 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.839 -4.512 7.026 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.939 -4.548 8.424 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.596 -4.643 6.773 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.045 -1.815 4.490 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.613 -1.469 6.182 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.712 -3.153 5.615 1.00 0.00 H new ATOM 397 N ILE A 29 -6.203 -3.724 9.544 1.00 0.00 N ATOM 398 CA ILE A 29 -6.197 -4.452 10.792 1.00 0.00 C ATOM 399 C ILE A 29 -5.833 -5.914 10.529 1.00 0.00 C ATOM 400 O ILE A 29 -5.720 -6.342 9.368 1.00 0.00 O ATOM 401 CB ILE A 29 -7.564 -4.311 11.479 1.00 0.00 C ATOM 402 CG1 ILE A 29 -8.728 -5.060 10.788 1.00 0.00 C ATOM 403 CG2 ILE A 29 -7.897 -2.833 11.749 1.00 0.00 C ATOM 404 CD1 ILE A 29 -9.934 -5.180 11.732 1.00 0.00 C ATOM 0 H ILE A 29 -6.784 -4.160 8.828 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.446 -4.040 11.466 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.459 -4.823 12.436 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -9.021 -4.530 9.882 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -8.398 -6.053 10.484 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.870 -2.762 12.236 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -7.135 -2.401 12.397 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.923 -2.288 10.806 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.741 -5.710 11.226 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -9.643 -5.731 12.626 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.275 -4.184 12.015 1.00 0.00 H new ATOM 616 N PRO A 44 -4.987 -12.098 6.631 1.00 0.00 N ATOM 617 CA PRO A 44 -4.181 -11.176 7.414 1.00 0.00 C ATOM 618 C PRO A 44 -4.630 -9.718 7.198 1.00 0.00 C ATOM 619 O PRO A 44 -5.262 -9.162 8.099 1.00 0.00 O ATOM 620 CB PRO A 44 -2.713 -11.469 7.085 1.00 0.00 C ATOM 621 CG PRO A 44 -2.743 -12.287 5.795 1.00 0.00 C ATOM 622 CD PRO A 44 -4.149 -12.888 5.744 1.00 0.00 C ATOM 0 HA PRO A 44 -4.315 -11.321 8.486 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -2.148 -10.546 6.952 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -2.233 -12.024 7.891 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -2.549 -11.660 4.925 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -1.980 -13.066 5.803 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -4.539 -12.867 4.727 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -4.133 -13.932 6.058 1.00 0.00 H new ATOM 630 N HIS A 45 -4.321 -9.082 6.060 1.00 0.00 N ATOM 631 CA HIS A 45 -4.621 -7.667 5.833 1.00 0.00 C ATOM 632 C HIS A 45 -6.048 -7.489 5.309 1.00 0.00 C ATOM 633 O HIS A 45 -6.425 -8.058 4.281 1.00 0.00 O ATOM 634 CB HIS A 45 -3.612 -7.044 4.851 1.00 0.00 C ATOM 635 CG HIS A 45 -2.245 -6.746 5.424 1.00 0.00 C ATOM 636 ND1 HIS A 45 -1.507 -5.631 5.132 1.00 0.00 N flip ATOM 637 CD2 HIS A 45 -1.532 -7.481 6.351 1.00 0.00 C flip ATOM 638 CE1 HIS A 45 -0.371 -5.645 5.943 1.00 0.00 C flip ATOM 639 NE2 HIS A 45 -0.405 -6.799 6.631 1.00 0.00 N flip ATOM 0 H HIS A 45 -3.857 -9.536 5.273 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.537 -7.151 6.789 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -3.492 -7.719 4.004 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -4.034 -6.117 4.463 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -1.825 -8.430 6.774 1.00 0.00 H new ATOM 0 HE1 HIS A 45 0.387 -4.878 6.005 1.00 0.00 H new ATOM 0 HE2 HIS A 45 0.321 -7.114 7.275 1.00 0.00 H new ATOM 647 N LYS A 46 -6.837 -6.641 5.975 1.00 0.00 N ATOM 648 CA LYS A 46 -8.113 -6.153 5.447 1.00 0.00 C ATOM 649 C LYS A 46 -8.299 -4.709 5.887 1.00 0.00 C ATOM 650 O LYS A 46 -7.719 -4.314 6.902 1.00 0.00 O ATOM 651 CB LYS A 46 -9.299 -7.033 5.897 1.00 0.00 C ATOM 652 CG LYS A 46 -9.760 -6.750 7.338 1.00 0.00 C ATOM 653 CD LYS A 46 -11.031 -7.508 7.729 1.00 0.00 C ATOM 654 CE LYS A 46 -11.592 -6.862 9.001 1.00 0.00 C ATOM 655 NZ LYS A 46 -12.503 -5.738 8.698 1.00 0.00 N ATOM 0 H LYS A 46 -6.608 -6.273 6.898 1.00 0.00 H new ATOM 0 HA LYS A 46 -8.091 -6.206 4.359 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -10.137 -6.875 5.218 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -9.015 -8.082 5.814 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.959 -7.018 8.027 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.934 -5.680 7.453 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -11.764 -7.464 6.924 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.809 -8.561 7.902 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -12.125 -7.613 9.584 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -10.768 -6.504 9.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -12.792 -5.277 9.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -12.014 -5.048 8.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -13.345 -6.097 8.204 1.00 0.00 H new ATOM 669 N ILE A 47 -9.200 -3.984 5.229 1.00 0.00 N ATOM 670 CA ILE A 47 -9.709 -2.714 5.731 1.00 0.00 C ATOM 671 C ILE A 47 -10.445 -2.969 7.049 1.00 0.00 C ATOM 672 O ILE A 47 -11.440 -3.702 7.055 1.00 0.00 O ATOM 673 CB ILE A 47 -10.683 -2.090 4.712 1.00 0.00 C ATOM 674 CG1 ILE A 47 -10.143 -1.972 3.283 1.00 0.00 C ATOM 675 CG2 ILE A 47 -11.156 -0.709 5.203 1.00 0.00 C ATOM 676 CD1 ILE A 47 -8.760 -1.346 3.209 1.00 0.00 C ATOM 0 H ILE A 47 -9.597 -4.262 4.332 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.879 -2.025 5.888 1.00 0.00 H new ATOM 0 HB ILE A 47 -11.516 -2.790 4.654 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -10.109 -2.964 2.833 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -10.836 -1.376 2.689 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -11.843 -0.279 4.474 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -11.665 -0.818 6.161 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -10.295 -0.051 5.322 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -8.440 -1.293 2.168 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -8.792 -0.341 3.630 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -8.055 -1.954 3.776 1.00 0.00 H new ATOM 688 N GLY A 48 -10.013 -2.351 8.147 1.00 0.00 N ATOM 689 CA GLY A 48 -10.755 -2.354 9.405 1.00 0.00 C ATOM 690 C GLY A 48 -11.577 -1.089 9.618 1.00 0.00 C ATOM 691 O GLY A 48 -12.620 -1.137 10.272 1.00 0.00 O ATOM 0 H GLY A 48 -9.136 -1.833 8.188 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.418 -3.219 9.427 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -10.055 -2.469 10.232 1.00 0.00 H new ATOM 695 N ARG A 49 -11.140 0.053 9.089 1.00 0.00 N ATOM 696 CA ARG A 49 -11.871 1.308 9.199 1.00 0.00 C ATOM 697 C ARG A 49 -11.527 2.163 7.998 1.00 0.00 C ATOM 698 O ARG A 49 -10.418 2.046 7.469 1.00 0.00 O ATOM 699 CB ARG A 49 -11.491 2.008 10.520 1.00 0.00 C ATOM 700 CG ARG A 49 -12.211 3.355 10.699 1.00 0.00 C ATOM 701 CD ARG A 49 -11.873 4.045 12.016 1.00 0.00 C ATOM 702 NE ARG A 49 -12.397 3.309 13.176 1.00 0.00 N ATOM 703 CZ ARG A 49 -13.626 3.484 13.689 1.00 0.00 C ATOM 704 NH1 ARG A 49 -14.452 4.411 13.199 1.00 0.00 N ATOM 705 NH2 ARG A 49 -14.031 2.729 14.701 1.00 0.00 N ATOM 0 H ARG A 49 -10.265 0.131 8.571 1.00 0.00 H new ATOM 0 HA ARG A 49 -12.947 1.135 9.213 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.735 1.355 11.357 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -10.413 2.169 10.545 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -11.946 4.014 9.872 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -13.288 3.194 10.646 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -10.791 4.142 12.107 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -12.284 5.055 12.012 1.00 0.00 H new ATOM 0 HE ARG A 49 -11.788 2.621 13.620 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -14.153 5.001 12.422 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -15.382 4.530 13.601 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -13.410 2.018 15.087 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -14.964 2.859 15.093 1.00 0.00 H new ATOM 719 N ILE A 50 -12.442 3.053 7.640 1.00 0.00 N ATOM 720 CA ILE A 50 -12.212 4.143 6.720 1.00 0.00 C ATOM 721 C ILE A 50 -12.488 5.460 7.459 1.00 0.00 C ATOM 722 O ILE A 50 -13.276 5.522 8.407 1.00 0.00 O ATOM 723 CB ILE A 50 -13.074 3.881 5.464 1.00 0.00 C ATOM 724 CG1 ILE A 50 -12.332 2.899 4.534 1.00 0.00 C ATOM 725 CG2 ILE A 50 -13.475 5.138 4.691 1.00 0.00 C ATOM 726 CD1 ILE A 50 -13.199 2.460 3.340 1.00 0.00 C ATOM 0 H ILE A 50 -13.397 3.029 7.998 1.00 0.00 H new ATOM 0 HA ILE A 50 -11.183 4.219 6.369 1.00 0.00 H new ATOM 0 HB ILE A 50 -14.011 3.453 5.821 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -11.420 3.369 4.165 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -12.030 2.020 5.104 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -14.077 4.857 3.827 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -14.055 5.794 5.340 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -12.579 5.660 4.355 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -12.634 1.769 2.714 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -14.098 1.965 3.706 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -13.480 3.335 2.753 1.00 0.00 H new ATOM 738 N ILE A 51 -11.791 6.517 7.062 1.00 0.00 N ATOM 739 CA ILE A 51 -12.037 7.888 7.437 1.00 0.00 C ATOM 740 C ILE A 51 -13.207 8.385 6.593 1.00 0.00 C ATOM 741 O ILE A 51 -13.181 8.274 5.364 1.00 0.00 O ATOM 742 CB ILE A 51 -10.725 8.654 7.206 1.00 0.00 C ATOM 743 CG1 ILE A 51 -9.692 8.327 8.302 1.00 0.00 C ATOM 744 CG2 ILE A 51 -10.937 10.165 7.248 1.00 0.00 C ATOM 745 CD1 ILE A 51 -9.043 6.946 8.289 1.00 0.00 C ATOM 0 H ILE A 51 -10.994 6.426 6.433 1.00 0.00 H new ATOM 0 HA ILE A 51 -12.316 8.025 8.482 1.00 0.00 H new ATOM 0 HB ILE A 51 -10.369 8.345 6.223 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.897 9.070 8.243 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -10.179 8.458 9.269 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -9.986 10.671 7.080 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -11.644 10.455 6.471 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -11.333 10.450 8.223 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -8.341 6.866 9.119 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -9.813 6.181 8.390 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -8.511 6.803 7.349 1.00 0.00 H new ATOM 757 N ASP A 52 -14.225 8.932 7.250 1.00 0.00 N ATOM 758 CA ASP A 52 -15.373 9.534 6.586 1.00 0.00 C ATOM 759 C ASP A 52 -14.892 10.676 5.693 1.00 0.00 C ATOM 760 O ASP A 52 -14.029 11.446 6.108 1.00 0.00 O ATOM 761 CB ASP A 52 -16.320 10.083 7.653 1.00 0.00 C ATOM 762 CG ASP A 52 -17.761 10.180 7.182 1.00 0.00 C ATOM 763 OD1 ASP A 52 -18.028 10.575 6.022 1.00 0.00 O ATOM 764 OD2 ASP A 52 -18.642 9.924 8.035 1.00 0.00 O ATOM 0 H ASP A 52 -14.275 8.969 8.268 1.00 0.00 H new ATOM 0 HA ASP A 52 -15.890 8.792 5.977 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -16.275 9.442 8.534 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -15.978 11.071 7.960 1.00 0.00 H new ATOM 769 N GLY A 53 -15.420 10.803 4.478 1.00 0.00 N ATOM 770 CA GLY A 53 -15.096 11.929 3.615 1.00 0.00 C ATOM 771 C GLY A 53 -13.751 11.780 2.905 1.00 0.00 C ATOM 772 O GLY A 53 -13.305 12.746 2.283 1.00 0.00 O ATOM 0 H GLY A 53 -16.076 10.136 4.071 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.882 12.044 2.869 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -15.086 12.842 4.210 1.00 0.00 H new ATOM 776 N SER A 54 -13.062 10.642 3.013 1.00 0.00 N ATOM 777 CA SER A 54 -11.731 10.478 2.445 1.00 0.00 C ATOM 778 C SER A 54 -11.764 10.014 0.987 1.00 0.00 C ATOM 779 O SER A 54 -12.759 9.443 0.538 1.00 0.00 O ATOM 780 CB SER A 54 -10.962 9.449 3.263 1.00 0.00 C ATOM 781 OG SER A 54 -11.625 8.196 3.295 1.00 0.00 O ATOM 0 H SER A 54 -13.413 9.814 3.495 1.00 0.00 H new ATOM 0 HA SER A 54 -11.246 11.454 2.474 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.965 9.321 2.841 1.00 0.00 H new ATOM 0 HB3 SER A 54 -10.833 9.817 4.281 1.00 0.00 H new ATOM 0 HG SER A 54 -12.195 8.148 4.090 1.00 0.00 H new ATOM 787 N PRO A 55 -10.624 10.093 0.275 1.00 0.00 N ATOM 788 CA PRO A 55 -10.475 9.449 -1.018 1.00 0.00 C ATOM 789 C PRO A 55 -10.702 7.934 -0.973 1.00 0.00 C ATOM 790 O PRO A 55 -11.073 7.364 -2.001 1.00 0.00 O ATOM 791 CB PRO A 55 -9.064 9.787 -1.502 1.00 0.00 C ATOM 792 CG PRO A 55 -8.311 10.356 -0.291 1.00 0.00 C ATOM 793 CD PRO A 55 -9.427 10.842 0.635 1.00 0.00 C ATOM 0 HA PRO A 55 -11.238 9.817 -1.703 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.563 8.899 -1.888 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -9.096 10.513 -2.315 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.694 9.597 0.190 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.647 11.171 -0.579 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -9.164 10.674 1.679 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.590 11.913 0.516 1.00 0.00 H new ATOM 801 N ALA A 56 -10.487 7.272 0.174 1.00 0.00 N ATOM 802 CA ALA A 56 -10.787 5.851 0.311 1.00 0.00 C ATOM 803 C ALA A 56 -12.297 5.649 0.174 1.00 0.00 C ATOM 804 O ALA A 56 -12.728 4.983 -0.760 1.00 0.00 O ATOM 805 CB ALA A 56 -10.254 5.292 1.635 1.00 0.00 C ATOM 0 H ALA A 56 -10.106 7.704 1.016 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.283 5.296 -0.480 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -10.494 4.231 1.705 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.173 5.422 1.676 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -10.715 5.824 2.467 1.00 0.00 H new ATOM 811 N ASP A 57 -13.098 6.255 1.056 1.00 0.00 N ATOM 812 CA ASP A 57 -14.551 6.070 1.072 1.00 0.00 C ATOM 813 C ASP A 57 -15.166 6.461 -0.269 1.00 0.00 C ATOM 814 O ASP A 57 -15.958 5.711 -0.843 1.00 0.00 O ATOM 815 CB ASP A 57 -15.207 6.906 2.177 1.00 0.00 C ATOM 816 CG ASP A 57 -16.621 6.385 2.427 1.00 0.00 C ATOM 817 OD1 ASP A 57 -16.792 5.329 3.083 1.00 0.00 O ATOM 818 OD2 ASP A 57 -17.588 7.033 1.976 1.00 0.00 O ATOM 0 H ASP A 57 -12.756 6.888 1.779 1.00 0.00 H new ATOM 0 HA ASP A 57 -14.735 5.013 1.264 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -14.618 6.848 3.092 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -15.239 7.956 1.885 1.00 0.00 H new ATOM 823 N ARG A 58 -14.753 7.620 -0.792 1.00 0.00 N ATOM 824 CA ARG A 58 -15.267 8.210 -2.023 1.00 0.00 C ATOM 825 C ARG A 58 -14.938 7.381 -3.251 1.00 0.00 C ATOM 826 O ARG A 58 -15.597 7.554 -4.276 1.00 0.00 O ATOM 827 CB ARG A 58 -14.703 9.624 -2.192 1.00 0.00 C ATOM 828 CG ARG A 58 -15.196 10.576 -1.097 1.00 0.00 C ATOM 829 CD ARG A 58 -14.464 11.911 -1.227 1.00 0.00 C ATOM 830 NE ARG A 58 -14.762 12.832 -0.124 1.00 0.00 N ATOM 831 CZ ARG A 58 -15.924 13.429 0.165 1.00 0.00 C ATOM 832 NH1 ARG A 58 -17.002 13.267 -0.592 1.00 0.00 N ATOM 833 NH2 ARG A 58 -15.977 14.211 1.234 1.00 0.00 N ATOM 0 H ARG A 58 -14.029 8.188 -0.353 1.00 0.00 H new ATOM 0 HA ARG A 58 -16.353 8.242 -1.936 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -13.614 9.584 -2.174 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -14.991 10.015 -3.168 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -16.272 10.727 -1.187 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -15.016 10.143 -0.113 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -13.390 11.729 -1.263 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -14.739 12.381 -2.171 1.00 0.00 H new ATOM 0 HE ARG A 58 -13.985 13.044 0.502 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -16.959 12.674 -1.421 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -17.874 13.736 -0.345 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -15.146 14.344 1.810 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -16.849 14.680 1.480 1.00 0.00 H new ATOM 847 N CYS A 59 -13.962 6.471 -3.182 1.00 0.00 N ATOM 848 CA CYS A 59 -13.679 5.586 -4.295 1.00 0.00 C ATOM 849 C CYS A 59 -14.887 4.685 -4.572 1.00 0.00 C ATOM 850 O CYS A 59 -15.124 4.345 -5.733 1.00 0.00 O ATOM 851 CB CYS A 59 -12.420 4.763 -3.994 1.00 0.00 C ATOM 852 SG CYS A 59 -11.790 4.043 -5.534 1.00 0.00 S ATOM 0 H CYS A 59 -13.362 6.335 -2.368 1.00 0.00 H new ATOM 0 HA CYS A 59 -13.492 6.175 -5.193 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -11.659 5.396 -3.537 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -12.650 3.974 -3.278 1.00 0.00 H new ATOM 0 HG CYS A 59 -10.856 3.182 -5.260 1.00 0.00 H new ATOM 858 N ALA A 60 -15.641 4.299 -3.529 1.00 0.00 N ATOM 859 CA ALA A 60 -16.702 3.283 -3.465 1.00 0.00 C ATOM 860 C ALA A 60 -16.267 1.867 -3.872 1.00 0.00 C ATOM 861 O ALA A 60 -16.738 0.896 -3.287 1.00 0.00 O ATOM 862 CB ALA A 60 -17.952 3.721 -4.232 1.00 0.00 C ATOM 0 H ALA A 60 -15.508 4.737 -2.617 1.00 0.00 H new ATOM 0 HA ALA A 60 -16.948 3.211 -2.406 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -18.713 2.944 -4.161 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -18.337 4.646 -3.803 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -17.697 3.885 -5.279 1.00 0.00 H new ATOM 868 N LYS A 61 -15.314 1.736 -4.798 1.00 0.00 N ATOM 869 CA LYS A 61 -14.644 0.488 -5.174 1.00 0.00 C ATOM 870 C LYS A 61 -13.876 -0.136 -3.993 1.00 0.00 C ATOM 871 O LYS A 61 -13.366 -1.252 -4.093 1.00 0.00 O ATOM 872 CB LYS A 61 -13.726 0.723 -6.374 1.00 0.00 C ATOM 873 CG LYS A 61 -14.548 1.084 -7.631 1.00 0.00 C ATOM 874 CD LYS A 61 -13.781 2.039 -8.529 1.00 0.00 C ATOM 875 CE LYS A 61 -12.521 1.387 -9.117 1.00 0.00 C ATOM 876 NZ LYS A 61 -12.035 2.033 -10.354 1.00 0.00 N ATOM 0 H LYS A 61 -14.972 2.535 -5.332 1.00 0.00 H new ATOM 0 HA LYS A 61 -15.412 -0.231 -5.459 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -13.025 1.527 -6.149 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -13.134 -0.172 -6.566 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -14.791 0.176 -8.183 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -15.493 1.539 -7.333 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -14.428 2.374 -9.340 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -13.499 2.925 -7.960 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -11.728 1.412 -8.370 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -12.730 0.338 -9.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.184 1.540 -10.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -12.775 1.986 -11.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.804 3.028 -10.158 1.00 0.00 H new ATOM 890 N LEU A 62 -13.760 0.579 -2.868 1.00 0.00 N ATOM 891 CA LEU A 62 -13.015 0.194 -1.684 1.00 0.00 C ATOM 892 C LEU A 62 -13.865 0.472 -0.452 1.00 0.00 C ATOM 893 O LEU A 62 -14.149 1.638 -0.174 1.00 0.00 O ATOM 894 CB LEU A 62 -11.695 0.981 -1.644 1.00 0.00 C ATOM 895 CG LEU A 62 -10.929 0.769 -0.332 1.00 0.00 C ATOM 896 CD1 LEU A 62 -10.746 -0.712 -0.005 1.00 0.00 C ATOM 897 CD2 LEU A 62 -9.563 1.449 -0.404 1.00 0.00 C ATOM 0 H LEU A 62 -14.210 1.488 -2.763 1.00 0.00 H new ATOM 0 HA LEU A 62 -12.779 -0.870 -1.705 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -11.068 0.676 -2.482 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -11.904 2.043 -1.772 1.00 0.00 H new ATOM 0 HG LEU A 62 -11.524 1.216 0.464 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -10.199 -0.813 0.932 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -11.722 -1.186 0.092 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -10.186 -1.195 -0.806 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.028 1.292 0.533 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.988 1.023 -1.226 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.697 2.518 -0.570 1.00 0.00 H new ATOM 909 N LYS A 63 -14.243 -0.562 0.308 1.00 0.00 N ATOM 910 CA LYS A 63 -15.005 -0.420 1.550 1.00 0.00 C ATOM 911 C LYS A 63 -14.475 -1.335 2.648 1.00 0.00 C ATOM 912 O LYS A 63 -13.588 -2.168 2.469 1.00 0.00 O ATOM 913 CB LYS A 63 -16.514 -0.630 1.338 1.00 0.00 C ATOM 914 CG LYS A 63 -17.149 0.338 0.341 1.00 0.00 C ATOM 915 CD LYS A 63 -17.200 1.828 0.725 1.00 0.00 C ATOM 916 CE LYS A 63 -18.230 2.123 1.818 1.00 0.00 C ATOM 917 NZ LYS A 63 -18.605 3.553 1.842 1.00 0.00 N ATOM 0 H LYS A 63 -14.025 -1.531 0.074 1.00 0.00 H new ATOM 0 HA LYS A 63 -14.866 0.610 1.878 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -16.682 -1.650 0.993 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -17.021 -0.530 2.298 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -16.607 0.253 -0.601 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -18.170 0.005 0.153 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -16.214 2.145 1.066 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -17.436 2.419 -0.160 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -19.120 1.516 1.653 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -17.824 1.837 2.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -19.498 3.669 2.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -17.857 4.100 2.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -18.724 3.897 0.868 1.00 0.00 H new ATOM 931 N VAL A 64 -15.018 -1.116 3.838 1.00 0.00 N ATOM 932 CA VAL A 64 -14.660 -1.822 5.058 1.00 0.00 C ATOM 933 C VAL A 64 -15.133 -3.272 4.933 1.00 0.00 C ATOM 934 O VAL A 64 -16.338 -3.530 4.922 1.00 0.00 O ATOM 935 CB VAL A 64 -15.236 -1.091 6.288 1.00 0.00 C ATOM 936 CG1 VAL A 64 -14.787 -1.790 7.577 1.00 0.00 C ATOM 937 CG2 VAL A 64 -14.749 0.367 6.334 1.00 0.00 C ATOM 0 H VAL A 64 -15.746 -0.416 3.984 1.00 0.00 H new ATOM 0 HA VAL A 64 -13.580 -1.836 5.201 1.00 0.00 H new ATOM 0 HB VAL A 64 -16.323 -1.111 6.207 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -15.200 -1.265 8.438 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -15.143 -2.820 7.575 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -13.699 -1.782 7.635 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -15.168 0.863 7.210 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -13.661 0.385 6.392 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -15.073 0.887 5.433 1.00 0.00 H new ATOM 947 N GLY A 65 -14.196 -4.211 4.818 1.00 0.00 N ATOM 948 CA GLY A 65 -14.456 -5.631 4.628 1.00 0.00 C ATOM 949 C GLY A 65 -13.479 -6.189 3.599 1.00 0.00 C ATOM 950 O GLY A 65 -13.183 -7.383 3.629 1.00 0.00 O ATOM 0 H GLY A 65 -13.200 -3.993 4.856 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -14.348 -6.162 5.574 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -15.482 -5.783 4.292 1.00 0.00 H new ATOM 954 N ASP A 66 -12.940 -5.326 2.730 1.00 0.00 N ATOM 955 CA ASP A 66 -12.080 -5.715 1.622 1.00 0.00 C ATOM 956 C ASP A 66 -10.782 -6.315 2.159 1.00 0.00 C ATOM 957 O ASP A 66 -9.873 -5.614 2.610 1.00 0.00 O ATOM 958 CB ASP A 66 -11.829 -4.546 0.648 1.00 0.00 C ATOM 959 CG ASP A 66 -13.069 -4.155 -0.168 1.00 0.00 C ATOM 960 OD1 ASP A 66 -14.008 -4.978 -0.277 1.00 0.00 O ATOM 961 OD2 ASP A 66 -13.084 -3.015 -0.688 1.00 0.00 O ATOM 0 H ASP A 66 -13.097 -4.320 2.784 1.00 0.00 H new ATOM 0 HA ASP A 66 -12.591 -6.481 1.039 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -11.487 -3.679 1.213 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -11.025 -4.819 -0.035 1.00 0.00 H new ATOM 966 N ARG A 67 -10.743 -7.646 2.147 1.00 0.00 N ATOM 967 CA ARG A 67 -9.567 -8.512 2.134 1.00 0.00 C ATOM 968 C ARG A 67 -8.592 -8.037 1.056 1.00 0.00 C ATOM 969 O ARG A 67 -9.034 -7.725 -0.051 1.00 0.00 O ATOM 970 CB ARG A 67 -10.044 -9.927 1.760 1.00 0.00 C ATOM 971 CG ARG A 67 -10.975 -10.575 2.797 1.00 0.00 C ATOM 972 CD ARG A 67 -11.559 -11.887 2.243 1.00 0.00 C ATOM 973 NE ARG A 67 -12.998 -11.766 1.966 1.00 0.00 N ATOM 974 CZ ARG A 67 -13.985 -11.970 2.845 1.00 0.00 C ATOM 975 NH1 ARG A 67 -13.765 -12.486 4.050 1.00 0.00 N ATOM 976 NH2 ARG A 67 -15.217 -11.633 2.508 1.00 0.00 N ATOM 0 H ARG A 67 -11.605 -8.191 2.146 1.00 0.00 H new ATOM 0 HA ARG A 67 -9.073 -8.496 3.106 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -10.562 -9.882 0.802 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -9.172 -10.567 1.621 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -10.424 -10.774 3.717 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -11.782 -9.888 3.051 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -11.034 -12.162 1.328 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -11.392 -12.691 2.960 1.00 0.00 H new ATOM 0 HE ARG A 67 -13.268 -11.503 1.018 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -12.818 -12.741 4.331 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -14.543 -12.627 4.694 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -15.402 -11.225 1.591 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -15.984 -11.781 3.164 1.00 0.00 H new ATOM 990 N ILE A 68 -7.292 -8.010 1.346 1.00 0.00 N ATOM 991 CA ILE A 68 -6.276 -7.453 0.456 1.00 0.00 C ATOM 992 C ILE A 68 -5.257 -8.553 0.177 1.00 0.00 C ATOM 993 O ILE A 68 -4.962 -9.361 1.060 1.00 0.00 O ATOM 994 CB ILE A 68 -5.627 -6.194 1.077 1.00 0.00 C ATOM 995 CG1 ILE A 68 -6.661 -5.269 1.751 1.00 0.00 C ATOM 996 CG2 ILE A 68 -4.852 -5.405 0.003 1.00 0.00 C ATOM 997 CD1 ILE A 68 -6.043 -4.112 2.524 1.00 0.00 C ATOM 0 H ILE A 68 -6.911 -8.379 2.217 1.00 0.00 H new ATOM 0 HA ILE A 68 -6.721 -7.126 -0.483 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.941 -6.541 1.849 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -7.327 -4.868 0.987 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -7.274 -5.861 2.431 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.401 -4.522 0.455 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -4.070 -6.036 -0.419 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.537 -5.098 -0.788 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -6.834 -3.508 2.968 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -5.399 -4.503 3.312 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -5.453 -3.495 1.846 1.00 0.00 H new ATOM 1009 N LEU A 69 -4.724 -8.598 -1.043 1.00 0.00 N ATOM 1010 CA LEU A 69 -3.675 -9.505 -1.478 1.00 0.00 C ATOM 1011 C LEU A 69 -2.356 -8.752 -1.645 1.00 0.00 C ATOM 1012 O LEU A 69 -1.296 -9.277 -1.287 1.00 0.00 O ATOM 1013 CB LEU A 69 -4.068 -10.093 -2.844 1.00 0.00 C ATOM 1014 CG LEU A 69 -5.254 -11.074 -2.848 1.00 0.00 C ATOM 1015 CD1 LEU A 69 -5.650 -11.355 -4.304 1.00 0.00 C ATOM 1016 CD2 LEU A 69 -4.909 -12.391 -2.144 1.00 0.00 C ATOM 0 H LEU A 69 -5.030 -7.971 -1.787 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.553 -10.290 -0.732 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.304 -9.268 -3.516 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.200 -10.604 -3.259 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.081 -10.620 -2.302 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.490 -12.049 -4.325 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.938 -10.422 -4.789 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.804 -11.793 -4.833 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.773 -13.054 -2.169 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.071 -12.867 -2.653 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.637 -12.189 -1.108 1.00 0.00 H new ATOM 1028 N ALA A 70 -2.406 -7.549 -2.232 1.00 0.00 N ATOM 1029 CA ALA A 70 -1.218 -6.817 -2.641 1.00 0.00 C ATOM 1030 C ALA A 70 -1.464 -5.304 -2.694 1.00 0.00 C ATOM 1031 O ALA A 70 -2.610 -4.843 -2.707 1.00 0.00 O ATOM 1032 CB ALA A 70 -0.774 -7.342 -4.019 1.00 0.00 C ATOM 0 H ALA A 70 -3.279 -7.061 -2.434 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.433 -6.979 -1.903 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.117 -6.804 -4.343 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.550 -8.406 -3.948 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.574 -7.187 -4.742 1.00 0.00 H new ATOM 1038 N VAL A 71 -0.363 -4.557 -2.773 1.00 0.00 N ATOM 1039 CA VAL A 71 -0.265 -3.106 -2.939 1.00 0.00 C ATOM 1040 C VAL A 71 0.627 -2.909 -4.161 1.00 0.00 C ATOM 1041 O VAL A 71 1.736 -3.438 -4.175 1.00 0.00 O ATOM 1042 CB VAL A 71 0.347 -2.471 -1.666 1.00 0.00 C ATOM 1043 CG1 VAL A 71 0.737 -0.997 -1.857 1.00 0.00 C ATOM 1044 CG2 VAL A 71 -0.611 -2.545 -0.466 1.00 0.00 C ATOM 0 H VAL A 71 0.560 -4.987 -2.718 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.233 -2.626 -3.082 1.00 0.00 H new ATOM 0 HB VAL A 71 1.244 -3.059 -1.472 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.160 -0.609 -0.930 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.476 -0.917 -2.654 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.148 -0.418 -2.122 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.140 -2.088 0.404 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.532 -2.012 -0.702 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.841 -3.588 -0.248 1.00 0.00 H new ATOM 1054 N ASN A 72 0.140 -2.203 -5.185 1.00 0.00 N ATOM 1055 CA ASN A 72 0.772 -2.032 -6.499 1.00 0.00 C ATOM 1056 C ASN A 72 1.357 -3.356 -7.017 1.00 0.00 C ATOM 1057 O ASN A 72 2.448 -3.399 -7.587 1.00 0.00 O ATOM 1058 CB ASN A 72 1.789 -0.876 -6.481 1.00 0.00 C ATOM 1059 CG ASN A 72 1.128 0.483 -6.268 1.00 0.00 C ATOM 1060 OD1 ASN A 72 0.214 0.883 -6.982 1.00 0.00 O ATOM 1061 ND2 ASN A 72 1.550 1.246 -5.279 1.00 0.00 N ATOM 0 H ASN A 72 -0.750 -1.710 -5.118 1.00 0.00 H new ATOM 0 HA ASN A 72 0.003 -1.746 -7.217 1.00 0.00 H new ATOM 0 HB2 ASN A 72 2.517 -1.050 -5.689 1.00 0.00 H new ATOM 0 HB3 ASN A 72 2.338 -0.865 -7.422 1.00 0.00 H new ATOM 0 HD21 ASN A 72 1.117 2.155 -5.116 1.00 0.00 H new ATOM 0 HD22 ASN A 72 2.309 0.927 -4.677 1.00 0.00 H new ATOM 1068 N GLY A 73 0.634 -4.457 -6.788 1.00 0.00 N ATOM 1069 CA GLY A 73 0.984 -5.794 -7.236 1.00 0.00 C ATOM 1070 C GLY A 73 2.005 -6.528 -6.361 1.00 0.00 C ATOM 1071 O GLY A 73 2.168 -7.729 -6.561 1.00 0.00 O ATOM 0 H GLY A 73 -0.242 -4.432 -6.266 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.075 -6.393 -7.286 1.00 0.00 H new ATOM 0 HA3 GLY A 73 1.379 -5.729 -8.250 1.00 0.00 H new ATOM 1075 N GLN A 74 2.657 -5.881 -5.388 1.00 0.00 N ATOM 1076 CA GLN A 74 3.519 -6.543 -4.408 1.00 0.00 C ATOM 1077 C GLN A 74 2.638 -7.262 -3.395 1.00 0.00 C ATOM 1078 O GLN A 74 1.851 -6.609 -2.705 1.00 0.00 O ATOM 1079 CB GLN A 74 4.399 -5.519 -3.666 1.00 0.00 C ATOM 1080 CG GLN A 74 5.733 -5.225 -4.361 1.00 0.00 C ATOM 1081 CD GLN A 74 6.794 -6.275 -4.033 1.00 0.00 C ATOM 1082 OE1 GLN A 74 6.523 -7.472 -3.962 1.00 0.00 O ATOM 1083 NE2 GLN A 74 8.046 -5.868 -3.880 1.00 0.00 N ATOM 0 H GLN A 74 2.599 -4.871 -5.259 1.00 0.00 H new ATOM 0 HA GLN A 74 4.169 -7.246 -4.928 1.00 0.00 H new ATOM 0 HB2 GLN A 74 3.843 -4.587 -3.559 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.599 -5.888 -2.660 1.00 0.00 H new ATOM 0 HG2 GLN A 74 5.580 -5.189 -5.440 1.00 0.00 H new ATOM 0 HG3 GLN A 74 6.091 -4.241 -4.057 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.270 -4.875 -3.939 1.00 0.00 H new ATOM 0 HE22 GLN A 74 8.785 -6.548 -3.703 1.00 0.00 H new ATOM 1092 N SER A 75 2.774 -8.585 -3.288 1.00 0.00 N ATOM 1093 CA SER A 75 2.127 -9.369 -2.241 1.00 0.00 C ATOM 1094 C SER A 75 2.517 -8.792 -0.876 1.00 0.00 C ATOM 1095 O SER A 75 3.706 -8.643 -0.602 1.00 0.00 O ATOM 1096 CB SER A 75 2.580 -10.836 -2.319 1.00 0.00 C ATOM 1097 OG SER A 75 2.430 -11.431 -3.599 1.00 0.00 O ATOM 0 H SER A 75 3.339 -9.142 -3.929 1.00 0.00 H new ATOM 0 HA SER A 75 1.046 -9.325 -2.374 1.00 0.00 H new ATOM 0 HB2 SER A 75 3.628 -10.896 -2.025 1.00 0.00 H new ATOM 0 HB3 SER A 75 2.012 -11.418 -1.593 1.00 0.00 H new ATOM 0 HG SER A 75 2.741 -12.360 -3.566 1.00 0.00 H new ATOM 1103 N ILE A 76 1.543 -8.489 -0.018 1.00 0.00 N ATOM 1104 CA ILE A 76 1.787 -7.894 1.303 1.00 0.00 C ATOM 1105 C ILE A 76 1.716 -8.932 2.430 1.00 0.00 C ATOM 1106 O ILE A 76 2.012 -8.613 3.580 1.00 0.00 O ATOM 1107 CB ILE A 76 0.841 -6.699 1.543 1.00 0.00 C ATOM 1108 CG1 ILE A 76 -0.636 -7.144 1.435 1.00 0.00 C ATOM 1109 CG2 ILE A 76 1.186 -5.557 0.573 1.00 0.00 C ATOM 1110 CD1 ILE A 76 -1.673 -6.035 1.521 1.00 0.00 C ATOM 0 H ILE A 76 0.556 -8.649 -0.218 1.00 0.00 H new ATOM 0 HA ILE A 76 2.809 -7.514 1.314 1.00 0.00 H new ATOM 0 HB ILE A 76 0.980 -6.321 2.556 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.769 -7.667 0.488 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.837 -7.865 2.228 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.515 -4.716 0.747 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.216 -5.239 0.737 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.073 -5.905 -0.454 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.672 -6.463 1.433 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.580 -5.524 2.479 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.512 -5.322 0.712 1.00 0.00 H new ATOM 1122 N ILE A 77 1.347 -10.181 2.129 1.00 0.00 N ATOM 1123 CA ILE A 77 1.514 -11.279 3.081 1.00 0.00 C ATOM 1124 C ILE A 77 3.010 -11.366 3.410 1.00 0.00 C ATOM 1125 O ILE A 77 3.843 -11.236 2.514 1.00 0.00 O ATOM 1126 CB ILE A 77 0.980 -12.621 2.531 1.00 0.00 C ATOM 1127 CG1 ILE A 77 -0.453 -12.439 1.979 1.00 0.00 C ATOM 1128 CG2 ILE A 77 1.022 -13.704 3.635 1.00 0.00 C ATOM 1129 CD1 ILE A 77 -1.095 -13.755 1.542 1.00 0.00 C ATOM 0 H ILE A 77 0.933 -10.454 1.238 1.00 0.00 H new ATOM 0 HA ILE A 77 0.929 -11.081 3.979 1.00 0.00 H new ATOM 0 HB ILE A 77 1.618 -12.950 1.711 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.075 -11.974 2.744 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.426 -11.755 1.131 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.643 -14.645 3.236 1.00 0.00 H new ATOM 0 HG22 ILE A 77 2.050 -13.840 3.972 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.403 -13.391 4.476 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.099 -13.562 1.164 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.493 -14.210 0.756 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.152 -14.433 2.394 1.00 0.00 H new ATOM 1141 N ASN A 78 3.344 -11.661 4.664 1.00 0.00 N ATOM 1142 CA ASN A 78 4.671 -12.047 5.143 1.00 0.00 C ATOM 1143 C ASN A 78 5.700 -10.913 5.208 1.00 0.00 C ATOM 1144 O ASN A 78 6.652 -11.025 5.981 1.00 0.00 O ATOM 1145 CB ASN A 78 5.217 -13.268 4.375 1.00 0.00 C ATOM 1146 CG ASN A 78 6.051 -14.130 5.302 1.00 0.00 C ATOM 1147 OD1 ASN A 78 7.276 -14.134 5.240 1.00 0.00 O ATOM 1148 ND2 ASN A 78 5.395 -14.838 6.205 1.00 0.00 N ATOM 0 H ASN A 78 2.657 -11.636 5.417 1.00 0.00 H new ATOM 0 HA ASN A 78 4.514 -12.329 6.184 1.00 0.00 H new ATOM 0 HB2 ASN A 78 4.391 -13.851 3.967 1.00 0.00 H new ATOM 0 HB3 ASN A 78 5.821 -12.937 3.530 1.00 0.00 H new ATOM 0 HD21 ASN A 78 5.908 -15.409 6.877 1.00 0.00 H new ATOM 0 HD22 ASN A 78 4.376 -14.813 6.230 1.00 0.00 H new ATOM 1155 N MET A 79 5.504 -9.806 4.488 1.00 0.00 N ATOM 1156 CA MET A 79 6.286 -8.596 4.705 1.00 0.00 C ATOM 1157 C MET A 79 6.005 -8.043 6.113 1.00 0.00 C ATOM 1158 O MET A 79 4.881 -8.167 6.618 1.00 0.00 O ATOM 1159 CB MET A 79 5.946 -7.542 3.638 1.00 0.00 C ATOM 1160 CG MET A 79 6.893 -7.635 2.445 1.00 0.00 C ATOM 1161 SD MET A 79 6.261 -6.973 0.876 1.00 0.00 S ATOM 1162 CE MET A 79 6.455 -5.188 1.120 1.00 0.00 C ATOM 0 H MET A 79 4.807 -9.727 3.748 1.00 0.00 H new ATOM 0 HA MET A 79 7.346 -8.837 4.623 1.00 0.00 H new ATOM 0 HB2 MET A 79 4.919 -7.681 3.301 1.00 0.00 H new ATOM 0 HB3 MET A 79 6.006 -6.546 4.076 1.00 0.00 H new ATOM 0 HG2 MET A 79 7.814 -7.108 2.695 1.00 0.00 H new ATOM 0 HG3 MET A 79 7.156 -8.682 2.295 1.00 0.00 H new ATOM 0 HE1 MET A 79 5.634 -4.663 0.632 1.00 0.00 H new ATOM 0 HE2 MET A 79 6.447 -4.964 2.187 1.00 0.00 H new ATOM 0 HE3 MET A 79 7.401 -4.862 0.688 1.00 0.00 H new ATOM 1172 N PRO A 80 6.996 -7.398 6.752 1.00 0.00 N ATOM 1173 CA PRO A 80 6.776 -6.656 7.984 1.00 0.00 C ATOM 1174 C PRO A 80 6.011 -5.359 7.688 1.00 0.00 C ATOM 1175 O PRO A 80 6.011 -4.864 6.556 1.00 0.00 O ATOM 1176 CB PRO A 80 8.177 -6.393 8.543 1.00 0.00 C ATOM 1177 CG PRO A 80 9.038 -6.290 7.285 1.00 0.00 C ATOM 1178 CD PRO A 80 8.379 -7.270 6.313 1.00 0.00 C ATOM 0 HA PRO A 80 6.168 -7.199 8.707 1.00 0.00 H new ATOM 0 HB2 PRO A 80 8.211 -5.476 9.131 1.00 0.00 H new ATOM 0 HB3 PRO A 80 8.510 -7.201 9.194 1.00 0.00 H new ATOM 0 HG2 PRO A 80 9.045 -5.275 6.887 1.00 0.00 H new ATOM 0 HG3 PRO A 80 10.074 -6.561 7.486 1.00 0.00 H new ATOM 0 HD2 PRO A 80 8.431 -6.899 5.289 1.00 0.00 H new ATOM 0 HD3 PRO A 80 8.885 -8.235 6.329 1.00 0.00 H new ATOM 1186 N HIS A 81 5.403 -4.775 8.725 1.00 0.00 N ATOM 1187 CA HIS A 81 4.618 -3.551 8.617 1.00 0.00 C ATOM 1188 C HIS A 81 5.437 -2.430 7.987 1.00 0.00 C ATOM 1189 O HIS A 81 4.944 -1.783 7.071 1.00 0.00 O ATOM 1190 CB HIS A 81 4.081 -3.106 9.990 1.00 0.00 C ATOM 1191 CG HIS A 81 2.659 -3.517 10.286 1.00 0.00 C ATOM 1192 ND1 HIS A 81 1.603 -3.533 9.397 1.00 0.00 N ATOM 1193 CD2 HIS A 81 2.144 -3.755 11.531 1.00 0.00 C ATOM 1194 CE1 HIS A 81 0.475 -3.769 10.083 1.00 0.00 C ATOM 1195 NE2 HIS A 81 0.763 -3.932 11.388 1.00 0.00 N ATOM 0 H HIS A 81 5.445 -5.147 9.674 1.00 0.00 H new ATOM 0 HA HIS A 81 3.767 -3.767 7.971 1.00 0.00 H new ATOM 0 HB2 HIS A 81 4.729 -3.514 10.766 1.00 0.00 H new ATOM 0 HB3 HIS A 81 4.150 -2.020 10.055 1.00 0.00 H new ATOM 0 HD2 HIS A 81 2.701 -3.798 12.455 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -0.515 -3.820 9.654 1.00 0.00 H new ATOM 0 HE2 HIS A 81 0.099 -4.145 12.133 1.00 0.00 H new ATOM 1203 N ALA A 82 6.669 -2.208 8.454 1.00 0.00 N ATOM 1204 CA ALA A 82 7.516 -1.113 7.989 1.00 0.00 C ATOM 1205 C ALA A 82 7.676 -1.113 6.470 1.00 0.00 C ATOM 1206 O ALA A 82 7.663 -0.048 5.856 1.00 0.00 O ATOM 1207 CB ALA A 82 8.898 -1.224 8.636 1.00 0.00 C ATOM 0 H ALA A 82 7.107 -2.788 9.170 1.00 0.00 H new ATOM 0 HA ALA A 82 7.031 -0.180 8.276 1.00 0.00 H new ATOM 0 HB1 ALA A 82 9.529 -0.406 8.288 1.00 0.00 H new ATOM 0 HB2 ALA A 82 8.798 -1.169 9.720 1.00 0.00 H new ATOM 0 HB3 ALA A 82 9.353 -2.176 8.361 1.00 0.00 H new ATOM 1213 N ASP A 83 7.836 -2.297 5.878 1.00 0.00 N ATOM 1214 CA ASP A 83 8.093 -2.428 4.453 1.00 0.00 C ATOM 1215 C ASP A 83 6.842 -2.106 3.656 1.00 0.00 C ATOM 1216 O ASP A 83 6.930 -1.387 2.668 1.00 0.00 O ATOM 1217 CB ASP A 83 8.631 -3.824 4.120 1.00 0.00 C ATOM 1218 CG ASP A 83 10.154 -3.815 4.197 1.00 0.00 C ATOM 1219 OD1 ASP A 83 10.721 -4.032 5.291 1.00 0.00 O ATOM 1220 OD2 ASP A 83 10.795 -3.491 3.171 1.00 0.00 O ATOM 0 H ASP A 83 7.790 -3.186 6.375 1.00 0.00 H new ATOM 0 HA ASP A 83 8.862 -1.708 4.172 1.00 0.00 H new ATOM 0 HB2 ASP A 83 8.226 -4.557 4.817 1.00 0.00 H new ATOM 0 HB3 ASP A 83 8.309 -4.121 3.122 1.00 0.00 H new ATOM 1225 N ILE A 84 5.677 -2.585 4.100 1.00 0.00 N ATOM 1226 CA ILE A 84 4.371 -2.304 3.497 1.00 0.00 C ATOM 1227 C ILE A 84 4.046 -0.805 3.686 1.00 0.00 C ATOM 1228 O ILE A 84 3.499 -0.176 2.784 1.00 0.00 O ATOM 1229 CB ILE A 84 3.316 -3.241 4.134 1.00 0.00 C ATOM 1230 CG1 ILE A 84 3.667 -4.732 3.896 1.00 0.00 C ATOM 1231 CG2 ILE A 84 1.907 -2.965 3.569 1.00 0.00 C ATOM 1232 CD1 ILE A 84 2.997 -5.665 4.908 1.00 0.00 C ATOM 0 H ILE A 84 5.614 -3.197 4.913 1.00 0.00 H new ATOM 0 HA ILE A 84 4.372 -2.500 2.425 1.00 0.00 H new ATOM 0 HB ILE A 84 3.322 -3.037 5.205 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.363 -5.016 2.889 1.00 0.00 H new ATOM 0 HG13 ILE A 84 4.748 -4.860 3.950 1.00 0.00 H new ATOM 0 HG21 ILE A 84 1.189 -3.639 4.036 1.00 0.00 H new ATOM 0 HG22 ILE A 84 1.626 -1.933 3.780 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.909 -3.128 2.491 1.00 0.00 H new ATOM 0 HD11 ILE A 84 3.278 -6.696 4.694 1.00 0.00 H new ATOM 0 HD12 ILE A 84 3.321 -5.402 5.915 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.914 -5.562 4.837 1.00 0.00 H new ATOM 1244 N VAL A 85 4.396 -0.191 4.818 1.00 0.00 N ATOM 1245 CA VAL A 85 4.223 1.237 5.046 1.00 0.00 C ATOM 1246 C VAL A 85 5.113 2.027 4.087 1.00 0.00 C ATOM 1247 O VAL A 85 4.631 2.983 3.465 1.00 0.00 O ATOM 1248 CB VAL A 85 4.466 1.539 6.530 1.00 0.00 C ATOM 1249 CG1 VAL A 85 4.651 3.026 6.836 1.00 0.00 C ATOM 1250 CG2 VAL A 85 3.314 1.013 7.401 1.00 0.00 C ATOM 0 H VAL A 85 4.812 -0.682 5.609 1.00 0.00 H new ATOM 0 HA VAL A 85 3.203 1.554 4.828 1.00 0.00 H new ATOM 0 HB VAL A 85 5.398 1.026 6.768 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.818 3.159 7.905 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.510 3.407 6.284 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.757 3.573 6.537 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.515 1.242 8.447 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.382 1.490 7.098 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.227 -0.066 7.276 1.00 0.00 H new ATOM 1260 N LYS A 86 6.384 1.645 3.923 1.00 0.00 N ATOM 1261 CA LYS A 86 7.241 2.309 2.951 1.00 0.00 C ATOM 1262 C LYS A 86 6.691 2.122 1.547 1.00 0.00 C ATOM 1263 O LYS A 86 6.621 3.102 0.824 1.00 0.00 O ATOM 1264 CB LYS A 86 8.700 1.883 3.074 1.00 0.00 C ATOM 1265 CG LYS A 86 9.628 3.017 2.587 1.00 0.00 C ATOM 1266 CD LYS A 86 11.117 2.672 2.713 1.00 0.00 C ATOM 1267 CE LYS A 86 11.543 1.649 1.655 1.00 0.00 C ATOM 1268 NZ LYS A 86 12.833 1.013 1.985 1.00 0.00 N ATOM 0 H LYS A 86 6.831 0.891 4.444 1.00 0.00 H new ATOM 0 HA LYS A 86 7.233 3.377 3.170 1.00 0.00 H new ATOM 0 HB2 LYS A 86 8.928 1.636 4.111 1.00 0.00 H new ATOM 0 HB3 LYS A 86 8.875 0.982 2.486 1.00 0.00 H new ATOM 0 HG2 LYS A 86 9.400 3.242 1.545 1.00 0.00 H new ATOM 0 HG3 LYS A 86 9.421 3.920 3.161 1.00 0.00 H new ATOM 0 HD2 LYS A 86 11.713 3.578 2.606 1.00 0.00 H new ATOM 0 HD3 LYS A 86 11.317 2.274 3.708 1.00 0.00 H new ATOM 0 HE2 LYS A 86 10.774 0.882 1.563 1.00 0.00 H new ATOM 0 HE3 LYS A 86 11.620 2.141 0.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 13.082 0.329 1.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 13.573 1.741 2.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 12.754 0.521 2.898 1.00 0.00 H new ATOM 1282 N LEU A 87 6.227 0.924 1.194 1.00 0.00 N ATOM 1283 CA LEU A 87 5.513 0.602 -0.039 1.00 0.00 C ATOM 1284 C LEU A 87 4.405 1.611 -0.327 1.00 0.00 C ATOM 1285 O LEU A 87 4.287 2.093 -1.448 1.00 0.00 O ATOM 1286 CB LEU A 87 4.900 -0.799 0.141 1.00 0.00 C ATOM 1287 CG LEU A 87 5.359 -1.955 -0.745 1.00 0.00 C ATOM 1288 CD1 LEU A 87 4.448 -2.042 -1.953 1.00 0.00 C ATOM 1289 CD2 LEU A 87 6.846 -1.984 -1.108 1.00 0.00 C ATOM 0 H LEU A 87 6.346 0.108 1.794 1.00 0.00 H new ATOM 0 HA LEU A 87 6.205 0.633 -0.880 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.071 -1.097 1.176 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.822 -0.700 0.011 1.00 0.00 H new ATOM 0 HG LEU A 87 5.267 -2.859 -0.142 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.768 -2.865 -2.592 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.423 -2.215 -1.624 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.496 -1.108 -2.513 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.050 -2.849 -1.739 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.107 -1.073 -1.646 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.442 -2.051 -0.198 1.00 0.00 H new ATOM 1301 N ILE A 88 3.572 1.931 0.661 1.00 0.00 N ATOM 1302 CA ILE A 88 2.410 2.786 0.448 1.00 0.00 C ATOM 1303 C ILE A 88 2.862 4.251 0.330 1.00 0.00 C ATOM 1304 O ILE A 88 2.257 5.010 -0.423 1.00 0.00 O ATOM 1305 CB ILE A 88 1.404 2.528 1.584 1.00 0.00 C ATOM 1306 CG1 ILE A 88 0.828 1.088 1.517 1.00 0.00 C ATOM 1307 CG2 ILE A 88 0.221 3.501 1.554 1.00 0.00 C ATOM 1308 CD1 ILE A 88 0.164 0.623 2.819 1.00 0.00 C ATOM 0 H ILE A 88 3.683 1.608 1.622 1.00 0.00 H new ATOM 0 HA ILE A 88 1.903 2.555 -0.489 1.00 0.00 H new ATOM 0 HB ILE A 88 1.968 2.672 2.506 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.097 1.037 0.710 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.632 0.397 1.264 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.457 3.274 2.376 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.587 4.522 1.657 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.310 3.399 0.607 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.213 -0.392 2.693 1.00 0.00 H new ATOM 0 HD12 ILE A 88 0.896 0.640 3.627 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -0.663 1.290 3.064 1.00 0.00 H new ATOM 1320 N LYS A 89 3.935 4.669 1.014 1.00 0.00 N ATOM 1321 CA LYS A 89 4.529 5.983 0.795 1.00 0.00 C ATOM 1322 C LYS A 89 5.135 6.060 -0.610 1.00 0.00 C ATOM 1323 O LYS A 89 4.919 7.022 -1.339 1.00 0.00 O ATOM 1324 CB LYS A 89 5.561 6.248 1.903 1.00 0.00 C ATOM 1325 CG LYS A 89 5.835 7.747 2.013 1.00 0.00 C ATOM 1326 CD LYS A 89 6.775 8.071 3.185 1.00 0.00 C ATOM 1327 CE LYS A 89 7.136 9.562 3.222 1.00 0.00 C ATOM 1328 NZ LYS A 89 5.976 10.426 3.527 1.00 0.00 N ATOM 0 H LYS A 89 4.407 4.110 1.725 1.00 0.00 H new ATOM 0 HA LYS A 89 3.770 6.763 0.848 1.00 0.00 H new ATOM 0 HB2 LYS A 89 5.191 5.867 2.855 1.00 0.00 H new ATOM 0 HB3 LYS A 89 6.487 5.716 1.684 1.00 0.00 H new ATOM 0 HG2 LYS A 89 6.277 8.105 1.083 1.00 0.00 H new ATOM 0 HG3 LYS A 89 4.893 8.280 2.144 1.00 0.00 H new ATOM 0 HD2 LYS A 89 6.299 7.788 4.124 1.00 0.00 H new ATOM 0 HD3 LYS A 89 7.685 7.477 3.097 1.00 0.00 H new ATOM 0 HE2 LYS A 89 7.911 9.725 3.971 1.00 0.00 H new ATOM 0 HE3 LYS A 89 7.557 9.853 2.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 6.285 11.418 3.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 5.259 10.320 2.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 5.567 10.148 4.442 1.00 0.00 H new ATOM 1342 N ASP A 90 5.880 5.028 -0.998 1.00 0.00 N ATOM 1343 CA ASP A 90 6.502 4.802 -2.305 1.00 0.00 C ATOM 1344 C ASP A 90 5.463 4.719 -3.428 1.00 0.00 C ATOM 1345 O ASP A 90 5.799 4.958 -4.588 1.00 0.00 O ATOM 1346 CB ASP A 90 7.328 3.508 -2.207 1.00 0.00 C ATOM 1347 CG ASP A 90 8.224 3.215 -3.407 1.00 0.00 C ATOM 1348 OD1 ASP A 90 7.743 2.763 -4.466 1.00 0.00 O ATOM 1349 OD2 ASP A 90 9.465 3.285 -3.228 1.00 0.00 O ATOM 0 H ASP A 90 6.082 4.263 -0.354 1.00 0.00 H new ATOM 0 HA ASP A 90 7.145 5.645 -2.558 1.00 0.00 H new ATOM 0 HB2 ASP A 90 7.950 3.560 -1.314 1.00 0.00 H new ATOM 0 HB3 ASP A 90 6.645 2.670 -2.071 1.00 0.00 H new ATOM 1354 N ALA A 91 4.186 4.483 -3.092 1.00 0.00 N ATOM 1355 CA ALA A 91 3.085 4.598 -4.041 1.00 0.00 C ATOM 1356 C ALA A 91 3.005 6.021 -4.640 1.00 0.00 C ATOM 1357 O ALA A 91 2.559 6.189 -5.771 1.00 0.00 O ATOM 1358 CB ALA A 91 1.781 4.176 -3.344 1.00 0.00 C ATOM 0 H ALA A 91 3.895 4.208 -2.154 1.00 0.00 H new ATOM 0 HA ALA A 91 3.255 3.930 -4.885 1.00 0.00 H new ATOM 0 HB1 ALA A 91 0.951 4.258 -4.045 1.00 0.00 H new ATOM 0 HB2 ALA A 91 1.868 3.144 -3.004 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.599 4.826 -2.488 1.00 0.00 H new ATOM 1364 N GLY A 92 3.495 7.042 -3.926 1.00 0.00 N ATOM 1365 CA GLY A 92 3.660 8.386 -4.464 1.00 0.00 C ATOM 1366 C GLY A 92 2.314 9.023 -4.764 1.00 0.00 C ATOM 1367 O GLY A 92 2.051 9.401 -5.900 1.00 0.00 O ATOM 0 H GLY A 92 3.788 6.952 -2.953 1.00 0.00 H new ATOM 0 HA2 GLY A 92 4.207 9.002 -3.750 1.00 0.00 H new ATOM 0 HA3 GLY A 92 4.258 8.346 -5.374 1.00 0.00 H new ATOM 1371 N LEU A 93 1.457 9.131 -3.741 1.00 0.00 N ATOM 1372 CA LEU A 93 0.063 9.605 -3.761 1.00 0.00 C ATOM 1373 C LEU A 93 -0.880 8.578 -4.338 1.00 0.00 C ATOM 1374 O LEU A 93 -2.009 8.485 -3.867 1.00 0.00 O ATOM 1375 CB LEU A 93 -0.186 10.890 -4.571 1.00 0.00 C ATOM 1376 CG LEU A 93 0.754 12.034 -4.222 1.00 0.00 C ATOM 1377 CD1 LEU A 93 0.464 13.243 -5.097 1.00 0.00 C ATOM 1378 CD2 LEU A 93 0.633 12.462 -2.760 1.00 0.00 C ATOM 0 H LEU A 93 1.743 8.868 -2.798 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.126 9.803 -2.706 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.087 10.663 -5.632 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.214 11.216 -4.409 1.00 0.00 H new ATOM 0 HG LEU A 93 1.765 11.666 -4.395 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.145 14.053 -4.835 1.00 0.00 H new ATOM 0 HD12 LEU A 93 0.604 12.976 -6.145 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.564 13.568 -4.939 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.325 13.281 -2.562 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.387 12.792 -2.561 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.875 11.619 -2.113 1.00 0.00 H new ATOM 1390 N SER A 94 -0.456 7.866 -5.368 1.00 0.00 N ATOM 1391 CA SER A 94 -1.313 6.950 -6.094 1.00 0.00 C ATOM 1392 C SER A 94 -1.062 5.518 -5.670 1.00 0.00 C ATOM 1393 O SER A 94 0.028 4.991 -5.883 1.00 0.00 O ATOM 1394 CB SER A 94 -1.040 7.095 -7.589 1.00 0.00 C ATOM 1395 OG SER A 94 0.279 7.551 -7.877 1.00 0.00 O ATOM 0 H SER A 94 0.499 7.909 -5.725 1.00 0.00 H new ATOM 0 HA SER A 94 -2.353 7.193 -5.874 1.00 0.00 H new ATOM 0 HB2 SER A 94 -1.199 6.133 -8.076 1.00 0.00 H new ATOM 0 HB3 SER A 94 -1.760 7.792 -8.017 1.00 0.00 H new ATOM 0 HG SER A 94 0.396 7.623 -8.847 1.00 0.00 H new ATOM 1401 N VAL A 95 -2.083 4.829 -5.179 1.00 0.00 N ATOM 1402 CA VAL A 95 -1.968 3.444 -4.778 1.00 0.00 C ATOM 1403 C VAL A 95 -3.018 2.658 -5.527 1.00 0.00 C ATOM 1404 O VAL A 95 -4.211 2.946 -5.456 1.00 0.00 O ATOM 1405 CB VAL A 95 -2.002 3.306 -3.253 1.00 0.00 C ATOM 1406 CG1 VAL A 95 -3.374 3.517 -2.603 1.00 0.00 C ATOM 1407 CG2 VAL A 95 -1.470 1.937 -2.849 1.00 0.00 C ATOM 0 H VAL A 95 -3.016 5.221 -5.049 1.00 0.00 H new ATOM 0 HA VAL A 95 -1.000 3.022 -5.048 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.371 4.114 -2.884 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.287 3.397 -1.523 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.733 4.521 -2.829 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.079 2.783 -2.994 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.496 1.843 -1.763 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.090 1.160 -3.296 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.443 1.828 -3.198 1.00 0.00 H new ATOM 1417 N THR A 96 -2.540 1.679 -6.272 1.00 0.00 N ATOM 1418 CA THR A 96 -3.351 0.613 -6.804 1.00 0.00 C ATOM 1419 C THR A 96 -3.331 -0.479 -5.728 1.00 0.00 C ATOM 1420 O THR A 96 -2.281 -0.772 -5.146 1.00 0.00 O ATOM 1421 CB THR A 96 -2.779 0.191 -8.165 1.00 0.00 C ATOM 1422 OG1 THR A 96 -2.497 1.337 -8.959 1.00 0.00 O ATOM 1423 CG2 THR A 96 -3.806 -0.629 -8.936 1.00 0.00 C ATOM 0 H THR A 96 -1.555 1.606 -6.527 1.00 0.00 H new ATOM 0 HA THR A 96 -4.387 0.883 -7.006 1.00 0.00 H new ATOM 0 HB THR A 96 -1.875 -0.387 -7.975 1.00 0.00 H new ATOM 0 HG1 THR A 96 -2.131 1.054 -9.823 1.00 0.00 H new ATOM 0 HG21 THR A 96 -3.389 -0.922 -9.899 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.062 -1.521 -8.365 1.00 0.00 H new ATOM 0 HG23 THR A 96 -4.703 -0.031 -9.096 1.00 0.00 H new ATOM 1431 N LEU A 97 -4.489 -1.044 -5.395 1.00 0.00 N ATOM 1432 CA LEU A 97 -4.648 -2.062 -4.357 1.00 0.00 C ATOM 1433 C LEU A 97 -5.300 -3.258 -5.015 1.00 0.00 C ATOM 1434 O LEU A 97 -6.223 -3.096 -5.806 1.00 0.00 O ATOM 1435 CB LEU A 97 -5.550 -1.564 -3.209 1.00 0.00 C ATOM 1436 CG LEU A 97 -4.946 -0.360 -2.462 1.00 0.00 C ATOM 1437 CD1 LEU A 97 -6.023 0.413 -1.692 1.00 0.00 C ATOM 1438 CD2 LEU A 97 -3.838 -0.813 -1.501 1.00 0.00 C ATOM 0 H LEU A 97 -5.368 -0.800 -5.852 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.676 -2.307 -3.928 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -6.524 -1.286 -3.611 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -5.717 -2.378 -2.504 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.513 0.305 -3.209 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -5.566 1.257 -1.175 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -6.776 0.780 -2.389 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -6.494 -0.247 -0.963 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.427 0.055 -0.985 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.252 -1.507 -0.770 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -3.047 -1.308 -2.065 1.00 0.00 H new ATOM 1450 N ARG A 98 -4.857 -4.460 -4.673 1.00 0.00 N ATOM 1451 CA ARG A 98 -5.409 -5.683 -5.242 1.00 0.00 C ATOM 1452 C ARG A 98 -6.109 -6.446 -4.141 1.00 0.00 C ATOM 1453 O ARG A 98 -5.478 -6.877 -3.172 1.00 0.00 O ATOM 1454 CB ARG A 98 -4.326 -6.469 -5.980 1.00 0.00 C ATOM 1455 CG ARG A 98 -4.826 -7.829 -6.484 1.00 0.00 C ATOM 1456 CD ARG A 98 -3.839 -8.421 -7.489 1.00 0.00 C ATOM 1457 NE ARG A 98 -4.034 -7.903 -8.857 1.00 0.00 N ATOM 1458 CZ ARG A 98 -3.427 -8.426 -9.935 1.00 0.00 C ATOM 1459 NH1 ARG A 98 -2.544 -9.409 -9.804 1.00 0.00 N ATOM 1460 NH2 ARG A 98 -3.684 -7.983 -11.158 1.00 0.00 N ATOM 0 H ARG A 98 -4.109 -4.615 -3.997 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.157 -5.467 -6.004 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -3.968 -5.881 -6.825 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -3.476 -6.622 -5.315 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -4.952 -8.511 -5.643 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -5.804 -7.714 -6.950 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -2.822 -8.202 -7.164 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -3.944 -9.506 -7.498 1.00 0.00 H new ATOM 0 HE ARG A 98 -4.660 -7.109 -8.990 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -2.321 -9.774 -8.878 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -2.089 -9.799 -10.629 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -4.356 -7.228 -11.296 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -3.210 -8.397 -11.961 1.00 0.00 H new ATOM 1474 N ILE A 99 -7.416 -6.582 -4.303 1.00 0.00 N ATOM 1475 CA ILE A 99 -8.328 -7.298 -3.430 1.00 0.00 C ATOM 1476 C ILE A 99 -8.849 -8.528 -4.190 1.00 0.00 C ATOM 1477 O ILE A 99 -8.605 -8.649 -5.393 1.00 0.00 O ATOM 1478 CB ILE A 99 -9.397 -6.318 -2.920 1.00 0.00 C ATOM 1479 CG1 ILE A 99 -10.343 -5.813 -4.026 1.00 0.00 C ATOM 1480 CG2 ILE A 99 -8.745 -5.128 -2.185 1.00 0.00 C ATOM 1481 CD1 ILE A 99 -11.780 -6.161 -3.662 1.00 0.00 C ATOM 0 H ILE A 99 -7.898 -6.167 -5.101 1.00 0.00 H new ATOM 0 HA ILE A 99 -7.850 -7.687 -2.531 1.00 0.00 H new ATOM 0 HB ILE A 99 -10.013 -6.882 -2.219 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -10.238 -4.735 -4.145 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -10.078 -6.267 -4.981 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -9.521 -4.448 -1.833 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -8.172 -5.496 -1.334 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -8.081 -4.598 -2.868 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -12.450 -5.804 -4.444 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -11.879 -7.242 -3.565 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -12.041 -5.686 -2.716 1.00 0.00 H new ATOM 1493 N ILE A 100 -9.489 -9.467 -3.488 1.00 0.00 N ATOM 1494 CA ILE A 100 -10.083 -10.664 -4.088 1.00 0.00 C ATOM 1495 C ILE A 100 -11.347 -10.274 -4.877 1.00 0.00 C ATOM 1496 O ILE A 100 -11.397 -10.580 -6.071 1.00 0.00 O ATOM 1497 CB ILE A 100 -10.308 -11.784 -3.032 1.00 0.00 C ATOM 1498 CG1 ILE A 100 -8.954 -12.236 -2.468 1.00 0.00 C ATOM 1499 CG2 ILE A 100 -11.117 -12.958 -3.612 1.00 0.00 C ATOM 1500 CD1 ILE A 100 -9.027 -13.322 -1.394 1.00 0.00 C ATOM 0 H ILE A 100 -9.610 -9.417 -2.477 1.00 0.00 H new ATOM 0 HA ILE A 100 -9.387 -11.100 -4.805 1.00 0.00 H new ATOM 0 HB ILE A 100 -10.905 -11.383 -2.213 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -8.339 -12.601 -3.291 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.444 -11.368 -2.050 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -11.253 -13.720 -2.845 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -12.091 -12.599 -3.945 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -10.580 -13.387 -4.458 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -8.020 -13.572 -1.060 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -9.610 -12.958 -0.548 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -9.503 -14.211 -1.807 1.00 0.00 H new