USER MOD reduce.3.24.130724 H: found=0, std=0, add=622, rem=0, adj=11 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 Set 1.1: A 72 ASN : amide:sc= 1.13 K(o=2.2,f=-3.1!) USER MOD Set 1.2: A 96 THR OG1 : rot 75:sc= 1.08 USER MOD Set 2.1: A 45 HIS : no HE2:sc= 0.972 K(o=1.2,f=-5.1!) USER MOD Set 2.2: A 81 HIS : no HE2:sc= 0.245 K(o=1.2,f=-1.7) USER MOD Single : A 11 THR OG1 : rot -24:sc= 0.0859 USER MOD Single : A 12 SER OG : rot 73:sc= -0.124 USER MOD Single : A 17 HIS : no HD1:sc= -0.374 X(o=-0.37,f=-0.81) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc=-0.00904 K(o=-0.009,f=-1.3!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot -85:sc= 0.862 USER MOD Single : A 59 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 79 MET CE :methyl 157:sc= -0.538 (180deg=-2.38) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0746) USER MOD Single : A 94 SER OG : rot 180:sc= 0.0363 USER MOD ----------------------------------------------------------------- ATOM 113 N THR A 11 -8.393 -10.669 -9.980 1.00 0.00 N ATOM 114 CA THR A 11 -7.927 -9.868 -8.868 1.00 0.00 C ATOM 115 C THR A 11 -8.194 -8.408 -9.217 1.00 0.00 C ATOM 116 O THR A 11 -8.139 -8.025 -10.390 1.00 0.00 O ATOM 117 CB THR A 11 -6.434 -10.121 -8.606 1.00 0.00 C ATOM 118 OG1 THR A 11 -5.644 -9.944 -9.773 1.00 0.00 O ATOM 119 CG2 THR A 11 -6.153 -11.529 -8.071 1.00 0.00 C ATOM 0 HA THR A 11 -8.453 -10.134 -7.951 1.00 0.00 H new ATOM 0 HB THR A 11 -6.162 -9.382 -7.852 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.201 -10.078 -10.568 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.082 -11.648 -7.905 1.00 0.00 H new ATOM 0 HG22 THR A 11 -6.684 -11.673 -7.130 1.00 0.00 H new ATOM 0 HG23 THR A 11 -6.492 -12.268 -8.796 1.00 0.00 H new ATOM 127 N SER A 12 -8.369 -7.577 -8.207 1.00 0.00 N ATOM 128 CA SER A 12 -9.000 -6.280 -8.387 1.00 0.00 C ATOM 129 C SER A 12 -7.914 -5.224 -8.560 1.00 0.00 C ATOM 130 O SER A 12 -6.724 -5.520 -8.371 1.00 0.00 O ATOM 131 CB SER A 12 -9.832 -6.015 -7.127 1.00 0.00 C ATOM 132 OG SER A 12 -10.489 -7.205 -6.717 1.00 0.00 O ATOM 0 H SER A 12 -8.082 -7.777 -7.249 1.00 0.00 H new ATOM 0 HA SER A 12 -9.640 -6.252 -9.269 1.00 0.00 H new ATOM 0 HB2 SER A 12 -9.188 -5.652 -6.326 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.567 -5.234 -7.324 1.00 0.00 H new ATOM 0 HG SER A 12 -9.836 -7.820 -6.324 1.00 0.00 H new ATOM 138 N ASP A 13 -8.290 -4.002 -8.929 1.00 0.00 N ATOM 139 CA ASP A 13 -7.388 -2.866 -8.949 1.00 0.00 C ATOM 140 C ASP A 13 -8.117 -1.681 -8.315 1.00 0.00 C ATOM 141 O ASP A 13 -8.906 -0.963 -8.927 1.00 0.00 O ATOM 142 CB ASP A 13 -6.836 -2.614 -10.370 1.00 0.00 C ATOM 143 CG ASP A 13 -7.600 -1.614 -11.244 1.00 0.00 C ATOM 144 OD1 ASP A 13 -8.629 -1.980 -11.861 1.00 0.00 O ATOM 145 OD2 ASP A 13 -7.109 -0.471 -11.401 1.00 0.00 O ATOM 0 H ASP A 13 -9.240 -3.776 -9.224 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.493 -3.053 -8.356 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.807 -2.266 -10.277 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.804 -3.568 -10.896 1.00 0.00 H new ATOM 150 N VAL A 14 -7.890 -1.499 -7.020 1.00 0.00 N ATOM 151 CA VAL A 14 -8.505 -0.400 -6.303 1.00 0.00 C ATOM 152 C VAL A 14 -7.515 0.744 -6.427 1.00 0.00 C ATOM 153 O VAL A 14 -6.586 0.848 -5.622 1.00 0.00 O ATOM 154 CB VAL A 14 -8.757 -0.826 -4.854 1.00 0.00 C ATOM 155 CG1 VAL A 14 -9.385 0.281 -4.018 1.00 0.00 C ATOM 156 CG2 VAL A 14 -9.617 -2.097 -4.824 1.00 0.00 C ATOM 0 H VAL A 14 -7.288 -2.096 -6.452 1.00 0.00 H new ATOM 0 HA VAL A 14 -9.476 -0.099 -6.697 1.00 0.00 H new ATOM 0 HB VAL A 14 -7.788 -1.038 -4.401 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -9.541 -0.076 -3.000 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -8.721 1.145 -4.001 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -10.342 0.567 -4.453 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.792 -2.394 -3.790 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -10.572 -1.902 -5.312 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.099 -2.899 -5.349 1.00 0.00 H new ATOM 166 N VAL A 15 -7.720 1.587 -7.433 1.00 0.00 N ATOM 167 CA VAL A 15 -6.834 2.685 -7.762 1.00 0.00 C ATOM 168 C VAL A 15 -7.457 3.976 -7.234 1.00 0.00 C ATOM 169 O VAL A 15 -8.578 4.342 -7.600 1.00 0.00 O ATOM 170 CB VAL A 15 -6.498 2.664 -9.261 1.00 0.00 C ATOM 171 CG1 VAL A 15 -7.676 2.944 -10.192 1.00 0.00 C ATOM 172 CG2 VAL A 15 -5.377 3.658 -9.550 1.00 0.00 C ATOM 0 H VAL A 15 -8.527 1.520 -8.053 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.864 2.596 -7.274 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.190 1.640 -9.474 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.338 2.907 -11.228 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -8.450 2.192 -10.036 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.082 3.933 -9.978 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.141 3.641 -10.614 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.697 4.660 -9.265 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.491 3.384 -8.977 1.00 0.00 H new ATOM 182 N ILE A 16 -6.768 4.617 -6.295 1.00 0.00 N ATOM 183 CA ILE A 16 -7.265 5.779 -5.568 1.00 0.00 C ATOM 184 C ILE A 16 -6.134 6.798 -5.573 1.00 0.00 C ATOM 185 O ILE A 16 -4.979 6.442 -5.322 1.00 0.00 O ATOM 186 CB ILE A 16 -7.674 5.357 -4.140 1.00 0.00 C ATOM 187 CG1 ILE A 16 -8.880 4.389 -4.160 1.00 0.00 C ATOM 188 CG2 ILE A 16 -8.012 6.566 -3.238 1.00 0.00 C ATOM 189 CD1 ILE A 16 -8.992 3.518 -2.910 1.00 0.00 C ATOM 0 H ILE A 16 -5.829 4.337 -6.013 1.00 0.00 H new ATOM 0 HA ILE A 16 -8.153 6.214 -6.027 1.00 0.00 H new ATOM 0 HB ILE A 16 -6.806 4.849 -3.721 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -9.797 4.968 -4.272 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -8.802 3.744 -5.035 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -8.293 6.213 -2.246 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -7.140 7.216 -3.158 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -8.841 7.124 -3.673 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -9.861 2.866 -2.998 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -8.092 2.911 -2.807 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -9.103 4.154 -2.032 1.00 0.00 H new ATOM 201 N HIS A 17 -6.485 8.060 -5.820 1.00 0.00 N ATOM 202 CA HIS A 17 -5.581 9.203 -5.820 1.00 0.00 C ATOM 203 C HIS A 17 -5.879 10.077 -4.598 1.00 0.00 C ATOM 204 O HIS A 17 -7.036 10.148 -4.165 1.00 0.00 O ATOM 205 CB HIS A 17 -5.756 9.982 -7.129 1.00 0.00 C ATOM 206 CG HIS A 17 -5.637 9.094 -8.342 1.00 0.00 C ATOM 207 ND1 HIS A 17 -4.477 8.728 -8.976 1.00 0.00 N ATOM 208 CD2 HIS A 17 -6.650 8.365 -8.902 1.00 0.00 C ATOM 209 CE1 HIS A 17 -4.791 7.783 -9.874 1.00 0.00 C ATOM 210 NE2 HIS A 17 -6.106 7.542 -9.887 1.00 0.00 N ATOM 0 H HIS A 17 -7.447 8.321 -6.034 1.00 0.00 H new ATOM 0 HA HIS A 17 -4.544 8.874 -5.758 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -6.731 10.469 -7.132 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -5.005 10.771 -7.183 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -7.693 8.418 -8.628 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -4.073 7.281 -10.506 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -6.607 6.891 -10.492 1.00 0.00 H new ATOM 218 N ARG A 18 -4.867 10.765 -4.060 1.00 0.00 N ATOM 219 CA ARG A 18 -4.955 11.572 -2.833 1.00 0.00 C ATOM 220 C ARG A 18 -4.190 12.873 -3.012 1.00 0.00 C ATOM 221 O ARG A 18 -3.630 13.106 -4.080 1.00 0.00 O ATOM 222 CB ARG A 18 -4.399 10.759 -1.657 1.00 0.00 C ATOM 223 CG ARG A 18 -2.874 10.652 -1.752 1.00 0.00 C ATOM 224 CD ARG A 18 -2.221 9.555 -0.919 1.00 0.00 C ATOM 225 NE ARG A 18 -1.296 10.137 0.048 1.00 0.00 N ATOM 226 CZ ARG A 18 -0.338 9.523 0.743 1.00 0.00 C ATOM 227 NH1 ARG A 18 -0.101 8.230 0.564 1.00 0.00 N ATOM 228 NH2 ARG A 18 0.342 10.200 1.659 1.00 0.00 N ATOM 0 H ARG A 18 -3.936 10.778 -4.476 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.995 11.822 -2.625 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.678 11.232 -0.716 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.840 9.762 -1.656 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.607 10.493 -2.797 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.445 11.609 -1.455 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.987 8.979 -0.399 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.689 8.862 -1.571 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.395 11.139 0.213 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -0.653 7.699 -0.109 1.00 0.00 H new ATOM 0 HH12 ARG A 18 0.634 7.767 1.099 1.00 0.00 H new ATOM 0 HH21 ARG A 18 0.131 11.183 1.828 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.076 9.737 2.195 1.00 0.00 H new ATOM 242 N LYS A 19 -4.174 13.737 -2.002 1.00 0.00 N ATOM 243 CA LYS A 19 -3.407 14.976 -2.025 1.00 0.00 C ATOM 244 C LYS A 19 -2.079 14.762 -1.301 1.00 0.00 C ATOM 245 O LYS A 19 -1.979 13.872 -0.462 1.00 0.00 O ATOM 246 CB LYS A 19 -4.246 16.093 -1.398 1.00 0.00 C ATOM 247 CG LYS A 19 -5.312 16.640 -2.357 1.00 0.00 C ATOM 248 CD LYS A 19 -6.646 15.876 -2.499 1.00 0.00 C ATOM 249 CE LYS A 19 -6.615 14.685 -3.478 1.00 0.00 C ATOM 250 NZ LYS A 19 -7.867 14.548 -4.254 1.00 0.00 N ATOM 0 H LYS A 19 -4.697 13.595 -1.138 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.174 15.273 -3.048 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.732 15.716 -0.498 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.589 16.906 -1.089 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.546 17.658 -2.045 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.862 16.706 -3.348 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.945 15.511 -1.516 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.415 16.576 -2.826 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.778 14.808 -4.166 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.437 13.766 -2.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.791 13.733 -4.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.665 14.403 -3.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.027 15.412 -4.810 1.00 0.00 H new ATOM 264 N GLU A 20 -1.069 15.584 -1.598 1.00 0.00 N ATOM 265 CA GLU A 20 0.250 15.479 -0.947 1.00 0.00 C ATOM 266 C GLU A 20 0.179 15.906 0.524 1.00 0.00 C ATOM 267 O GLU A 20 1.045 15.546 1.314 1.00 0.00 O ATOM 268 CB GLU A 20 1.300 16.344 -1.680 1.00 0.00 C ATOM 269 CG GLU A 20 2.082 15.655 -2.802 1.00 0.00 C ATOM 270 CD GLU A 20 3.091 14.620 -2.292 1.00 0.00 C ATOM 271 OE1 GLU A 20 2.719 13.483 -1.938 1.00 0.00 O ATOM 272 OE2 GLU A 20 4.303 14.922 -2.266 1.00 0.00 O ATOM 0 H GLU A 20 -1.135 16.334 -2.287 1.00 0.00 H new ATOM 0 HA GLU A 20 0.551 14.432 -0.997 1.00 0.00 H new ATOM 0 HB2 GLU A 20 0.794 17.214 -2.099 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.013 16.714 -0.943 1.00 0.00 H new ATOM 0 HG2 GLU A 20 1.380 15.165 -3.477 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.610 16.410 -3.384 1.00 0.00 H new ATOM 279 N ASN A 21 -0.843 16.676 0.899 1.00 0.00 N ATOM 280 CA ASN A 21 -0.991 17.216 2.246 1.00 0.00 C ATOM 281 C ASN A 21 -1.524 16.177 3.246 1.00 0.00 C ATOM 282 O ASN A 21 -1.728 16.499 4.419 1.00 0.00 O ATOM 283 CB ASN A 21 -1.927 18.438 2.181 1.00 0.00 C ATOM 284 CG ASN A 21 -1.735 19.419 3.332 1.00 0.00 C ATOM 285 OD1 ASN A 21 -0.759 19.364 4.077 1.00 0.00 O ATOM 286 ND2 ASN A 21 -2.619 20.390 3.456 1.00 0.00 N ATOM 0 H ASN A 21 -1.598 16.944 0.268 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.006 17.508 2.610 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.763 18.961 1.239 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.961 18.093 2.178 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.496 21.103 4.175 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.426 20.428 2.833 1.00 0.00 H new ATOM 293 N GLU A 22 -1.824 14.953 2.809 1.00 0.00 N ATOM 294 CA GLU A 22 -2.527 13.942 3.594 1.00 0.00 C ATOM 295 C GLU A 22 -2.272 12.542 3.014 1.00 0.00 C ATOM 296 O GLU A 22 -1.473 12.364 2.088 1.00 0.00 O ATOM 297 CB GLU A 22 -4.025 14.300 3.665 1.00 0.00 C ATOM 298 CG GLU A 22 -4.709 14.348 2.296 1.00 0.00 C ATOM 299 CD GLU A 22 -6.148 14.851 2.395 1.00 0.00 C ATOM 300 OE1 GLU A 22 -6.341 16.056 2.670 1.00 0.00 O ATOM 301 OE2 GLU A 22 -7.089 14.081 2.085 1.00 0.00 O ATOM 0 H GLU A 22 -1.577 14.631 1.873 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.146 13.926 4.615 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.536 13.569 4.292 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.136 15.269 4.151 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.142 14.998 1.630 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.702 13.353 1.852 1.00 0.00 H new ATOM 308 N GLY A 23 -2.929 11.534 3.587 1.00 0.00 N ATOM 309 CA GLY A 23 -2.877 10.148 3.160 1.00 0.00 C ATOM 310 C GLY A 23 -4.086 9.754 2.323 1.00 0.00 C ATOM 311 O GLY A 23 -4.919 10.581 1.939 1.00 0.00 O ATOM 0 H GLY A 23 -3.536 11.673 4.395 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.968 9.983 2.581 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.819 9.502 4.036 1.00 0.00 H new ATOM 315 N PHE A 24 -4.191 8.454 2.046 1.00 0.00 N ATOM 316 CA PHE A 24 -5.467 7.820 1.819 1.00 0.00 C ATOM 317 C PHE A 24 -6.132 7.713 3.189 1.00 0.00 C ATOM 318 O PHE A 24 -5.456 7.688 4.227 1.00 0.00 O ATOM 319 CB PHE A 24 -5.234 6.419 1.246 1.00 0.00 C ATOM 320 CG PHE A 24 -4.231 6.393 0.112 1.00 0.00 C ATOM 321 CD1 PHE A 24 -4.618 6.839 -1.163 1.00 0.00 C ATOM 322 CD2 PHE A 24 -2.897 6.005 0.351 1.00 0.00 C ATOM 323 CE1 PHE A 24 -3.665 6.918 -2.189 1.00 0.00 C ATOM 324 CE2 PHE A 24 -1.947 6.070 -0.683 1.00 0.00 C ATOM 325 CZ PHE A 24 -2.327 6.560 -1.944 1.00 0.00 C ATOM 0 H PHE A 24 -3.392 7.824 1.975 1.00 0.00 H new ATOM 0 HA PHE A 24 -6.085 8.381 1.119 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -4.887 5.761 2.043 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -6.183 6.017 0.891 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.644 7.119 -1.352 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.604 5.657 1.331 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.960 7.255 -3.172 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.932 5.745 -0.509 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.590 6.662 -2.727 1.00 0.00 H new ATOM 335 N GLY A 25 -7.447 7.555 3.197 1.00 0.00 N ATOM 336 CA GLY A 25 -8.202 7.389 4.418 1.00 0.00 C ATOM 337 C GLY A 25 -8.633 5.947 4.585 1.00 0.00 C ATOM 338 O GLY A 25 -9.822 5.704 4.699 1.00 0.00 O ATOM 0 H GLY A 25 -8.017 7.539 2.351 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.596 7.694 5.271 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -9.078 8.037 4.401 1.00 0.00 H new ATOM 342 N PHE A 26 -7.701 4.996 4.605 1.00 0.00 N ATOM 343 CA PHE A 26 -7.990 3.605 4.938 1.00 0.00 C ATOM 344 C PHE A 26 -7.099 3.178 6.098 1.00 0.00 C ATOM 345 O PHE A 26 -6.004 3.723 6.272 1.00 0.00 O ATOM 346 CB PHE A 26 -7.813 2.723 3.692 1.00 0.00 C ATOM 347 CG PHE A 26 -6.400 2.625 3.125 1.00 0.00 C ATOM 348 CD1 PHE A 26 -5.394 1.915 3.814 1.00 0.00 C ATOM 349 CD2 PHE A 26 -6.095 3.210 1.882 1.00 0.00 C ATOM 350 CE1 PHE A 26 -4.096 1.809 3.280 1.00 0.00 C ATOM 351 CE2 PHE A 26 -4.804 3.072 1.339 1.00 0.00 C ATOM 352 CZ PHE A 26 -3.804 2.381 2.034 1.00 0.00 C ATOM 0 H PHE A 26 -6.720 5.171 4.389 1.00 0.00 H new ATOM 0 HA PHE A 26 -9.026 3.491 5.258 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.154 1.717 3.935 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.470 3.102 2.909 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -5.622 1.448 4.761 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.851 3.764 1.345 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.326 1.288 3.829 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.582 3.504 0.375 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.814 2.289 1.613 1.00 0.00 H new ATOM 362 N VAL A 27 -7.537 2.174 6.855 1.00 0.00 N ATOM 363 CA VAL A 27 -6.811 1.580 7.966 1.00 0.00 C ATOM 364 C VAL A 27 -6.819 0.069 7.748 1.00 0.00 C ATOM 365 O VAL A 27 -7.888 -0.548 7.760 1.00 0.00 O ATOM 366 CB VAL A 27 -7.441 1.983 9.316 1.00 0.00 C ATOM 367 CG1 VAL A 27 -6.632 1.429 10.499 1.00 0.00 C ATOM 368 CG2 VAL A 27 -7.573 3.506 9.484 1.00 0.00 C ATOM 0 H VAL A 27 -8.446 1.737 6.701 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.783 1.941 8.002 1.00 0.00 H new ATOM 0 HB VAL A 27 -8.441 1.549 9.311 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -7.103 1.731 11.435 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -6.603 0.341 10.442 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.616 1.822 10.461 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -8.022 3.728 10.452 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -6.586 3.965 9.428 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -8.204 3.906 8.691 1.00 0.00 H new ATOM 378 N ILE A 28 -5.649 -0.525 7.512 1.00 0.00 N ATOM 379 CA ILE A 28 -5.476 -1.974 7.467 1.00 0.00 C ATOM 380 C ILE A 28 -5.433 -2.483 8.917 1.00 0.00 C ATOM 381 O ILE A 28 -4.939 -1.783 9.806 1.00 0.00 O ATOM 382 CB ILE A 28 -4.191 -2.348 6.683 1.00 0.00 C ATOM 383 CG1 ILE A 28 -4.083 -1.583 5.337 1.00 0.00 C ATOM 384 CG2 ILE A 28 -4.152 -3.862 6.431 1.00 0.00 C ATOM 385 CD1 ILE A 28 -2.812 -1.868 4.527 1.00 0.00 C ATOM 0 H ILE A 28 -4.787 -0.007 7.345 1.00 0.00 H new ATOM 0 HA ILE A 28 -6.305 -2.446 6.940 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.338 -2.055 7.295 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -4.949 -1.833 4.724 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.134 -0.513 5.540 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.246 -4.116 5.880 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -4.156 -4.390 7.385 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.025 -4.157 5.849 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.830 -1.287 3.605 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.937 -1.590 5.114 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.765 -2.930 4.286 1.00 0.00 H new ATOM 397 N ILE A 29 -5.935 -3.693 9.149 1.00 0.00 N ATOM 398 CA ILE A 29 -5.867 -4.482 10.356 1.00 0.00 C ATOM 399 C ILE A 29 -5.658 -5.947 9.944 1.00 0.00 C ATOM 400 O ILE A 29 -5.816 -6.303 8.773 1.00 0.00 O ATOM 401 CB ILE A 29 -7.186 -4.325 11.138 1.00 0.00 C ATOM 402 CG1 ILE A 29 -8.423 -4.804 10.350 1.00 0.00 C ATOM 403 CG2 ILE A 29 -7.390 -2.883 11.617 1.00 0.00 C ATOM 404 CD1 ILE A 29 -9.690 -4.927 11.203 1.00 0.00 C ATOM 0 H ILE A 29 -6.448 -4.186 8.418 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.046 -4.155 10.995 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.089 -4.976 12.007 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.613 -4.109 9.532 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -8.203 -5.772 9.901 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.330 -2.811 12.164 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.566 -2.597 12.271 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.419 -2.214 10.757 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.516 -5.268 10.580 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -9.520 -5.645 12.006 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.936 -3.955 11.631 1.00 0.00 H new ATOM 616 N PRO A 44 -3.680 -12.175 6.353 1.00 0.00 N ATOM 617 CA PRO A 44 -2.755 -11.347 7.112 1.00 0.00 C ATOM 618 C PRO A 44 -3.143 -9.872 7.155 1.00 0.00 C ATOM 619 O PRO A 44 -2.713 -9.212 8.100 1.00 0.00 O ATOM 620 CB PRO A 44 -1.387 -11.503 6.442 1.00 0.00 C ATOM 621 CG PRO A 44 -1.732 -11.923 5.017 1.00 0.00 C ATOM 622 CD PRO A 44 -3.011 -12.735 5.187 1.00 0.00 C ATOM 0 HA PRO A 44 -2.759 -11.677 8.151 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -0.823 -10.570 6.460 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -0.777 -12.254 6.945 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -1.887 -11.059 4.370 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -0.935 -12.517 4.569 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -3.642 -12.662 4.301 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -2.788 -13.792 5.333 1.00 0.00 H new ATOM 630 N HIS A 45 -3.856 -9.339 6.152 1.00 0.00 N ATOM 631 CA HIS A 45 -4.203 -7.925 6.009 1.00 0.00 C ATOM 632 C HIS A 45 -5.624 -7.816 5.452 1.00 0.00 C ATOM 633 O HIS A 45 -5.967 -8.431 4.440 1.00 0.00 O ATOM 634 CB HIS A 45 -3.231 -7.201 5.052 1.00 0.00 C ATOM 635 CG HIS A 45 -1.935 -6.716 5.663 1.00 0.00 C ATOM 636 ND1 HIS A 45 -1.354 -7.168 6.821 1.00 0.00 N ATOM 637 CD2 HIS A 45 -1.145 -5.700 5.193 1.00 0.00 C ATOM 638 CE1 HIS A 45 -0.212 -6.495 7.013 1.00 0.00 C ATOM 639 NE2 HIS A 45 -0.053 -5.565 6.058 1.00 0.00 N ATOM 0 H HIS A 45 -4.220 -9.909 5.388 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.134 -7.453 6.989 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -2.992 -7.876 4.230 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.749 -6.344 4.620 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -1.728 -7.894 7.432 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -1.332 -5.107 4.310 1.00 0.00 H new ATOM 0 HE1 HIS A 45 0.482 -6.675 7.821 1.00 0.00 H new ATOM 647 N LYS A 46 -6.460 -7.009 6.095 1.00 0.00 N ATOM 648 CA LYS A 46 -7.830 -6.696 5.688 1.00 0.00 C ATOM 649 C LYS A 46 -8.132 -5.284 6.170 1.00 0.00 C ATOM 650 O LYS A 46 -7.419 -4.742 7.007 1.00 0.00 O ATOM 651 CB LYS A 46 -8.841 -7.720 6.255 1.00 0.00 C ATOM 652 CG LYS A 46 -8.614 -8.057 7.738 1.00 0.00 C ATOM 653 CD LYS A 46 -9.843 -8.654 8.443 1.00 0.00 C ATOM 654 CE LYS A 46 -10.596 -7.541 9.187 1.00 0.00 C ATOM 655 NZ LYS A 46 -11.753 -8.018 9.976 1.00 0.00 N ATOM 0 H LYS A 46 -6.191 -6.531 6.955 1.00 0.00 H new ATOM 0 HA LYS A 46 -7.925 -6.754 4.604 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -9.850 -7.327 6.131 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.782 -8.638 5.670 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -7.786 -8.762 7.816 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.312 -7.151 8.263 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.500 -9.128 7.713 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.533 -9.429 9.144 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -9.901 -7.030 9.853 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -10.943 -6.804 8.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -12.208 -7.211 10.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -12.437 -8.481 9.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -11.428 -8.699 10.692 1.00 0.00 H new ATOM 669 N ILE A 47 -9.187 -4.663 5.658 1.00 0.00 N ATOM 670 CA ILE A 47 -9.484 -3.278 6.028 1.00 0.00 C ATOM 671 C ILE A 47 -10.283 -3.288 7.338 1.00 0.00 C ATOM 672 O ILE A 47 -11.118 -4.176 7.558 1.00 0.00 O ATOM 673 CB ILE A 47 -10.181 -2.567 4.853 1.00 0.00 C ATOM 674 CG1 ILE A 47 -9.306 -2.623 3.582 1.00 0.00 C ATOM 675 CG2 ILE A 47 -10.586 -1.117 5.190 1.00 0.00 C ATOM 676 CD1 ILE A 47 -8.115 -1.661 3.547 1.00 0.00 C ATOM 0 H ILE A 47 -9.842 -5.083 4.998 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.579 -2.701 6.218 1.00 0.00 H new ATOM 0 HB ILE A 47 -11.107 -3.108 4.659 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -8.930 -3.640 3.467 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -9.939 -2.418 2.719 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -11.073 -0.665 4.326 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -11.275 -1.119 6.035 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.697 -0.542 5.448 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.573 -1.787 2.610 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -8.474 -0.635 3.623 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.449 -1.875 4.383 1.00 0.00 H new ATOM 688 N GLY A 48 -10.026 -2.298 8.194 1.00 0.00 N ATOM 689 CA GLY A 48 -10.622 -2.129 9.512 1.00 0.00 C ATOM 690 C GLY A 48 -11.425 -0.842 9.634 1.00 0.00 C ATOM 691 O GLY A 48 -12.479 -0.854 10.264 1.00 0.00 O ATOM 0 H GLY A 48 -9.362 -1.556 7.971 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.271 -2.979 9.724 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.834 -2.134 10.265 1.00 0.00 H new ATOM 695 N ARG A 49 -10.989 0.256 9.014 1.00 0.00 N ATOM 696 CA ARG A 49 -11.713 1.529 8.999 1.00 0.00 C ATOM 697 C ARG A 49 -11.388 2.256 7.704 1.00 0.00 C ATOM 698 O ARG A 49 -10.341 2.003 7.107 1.00 0.00 O ATOM 699 CB ARG A 49 -11.314 2.344 10.256 1.00 0.00 C ATOM 700 CG ARG A 49 -11.722 3.828 10.217 1.00 0.00 C ATOM 701 CD ARG A 49 -11.274 4.657 11.412 1.00 0.00 C ATOM 702 NE ARG A 49 -11.847 4.167 12.669 1.00 0.00 N ATOM 703 CZ ARG A 49 -11.177 3.652 13.703 1.00 0.00 C ATOM 704 NH1 ARG A 49 -9.850 3.722 13.770 1.00 0.00 N ATOM 705 NH2 ARG A 49 -11.846 3.051 14.670 1.00 0.00 N ATOM 0 H ARG A 49 -10.109 0.286 8.500 1.00 0.00 H new ATOM 0 HA ARG A 49 -12.792 1.378 9.033 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.767 1.880 11.132 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -10.233 2.282 10.385 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -11.314 4.276 9.311 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.808 3.887 10.141 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -10.186 4.638 11.478 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.566 5.696 11.262 1.00 0.00 H new ATOM 0 HE ARG A 49 -12.861 4.225 12.764 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -9.325 4.176 13.022 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -9.358 3.322 14.569 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -12.863 2.984 14.622 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -11.346 2.653 15.465 1.00 0.00 H new ATOM 719 N ILE A 50 -12.250 3.197 7.336 1.00 0.00 N ATOM 720 CA ILE A 50 -11.977 4.266 6.398 1.00 0.00 C ATOM 721 C ILE A 50 -12.205 5.590 7.146 1.00 0.00 C ATOM 722 O ILE A 50 -13.039 5.666 8.052 1.00 0.00 O ATOM 723 CB ILE A 50 -12.839 4.019 5.143 1.00 0.00 C ATOM 724 CG1 ILE A 50 -12.052 3.078 4.200 1.00 0.00 C ATOM 725 CG2 ILE A 50 -13.247 5.303 4.406 1.00 0.00 C ATOM 726 CD1 ILE A 50 -12.908 2.482 3.081 1.00 0.00 C ATOM 0 H ILE A 50 -13.201 3.232 7.704 1.00 0.00 H new ATOM 0 HA ILE A 50 -10.952 4.309 6.031 1.00 0.00 H new ATOM 0 HB ILE A 50 -13.776 3.565 5.465 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -11.223 3.630 3.758 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -11.619 2.268 4.786 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -13.851 5.047 3.535 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -13.827 5.938 5.076 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -12.353 5.837 4.083 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -12.292 1.833 2.458 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -13.722 1.902 3.515 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -13.320 3.286 2.471 1.00 0.00 H new ATOM 738 N ILE A 51 -11.385 6.599 6.849 1.00 0.00 N ATOM 739 CA ILE A 51 -11.468 7.941 7.419 1.00 0.00 C ATOM 740 C ILE A 51 -12.651 8.619 6.730 1.00 0.00 C ATOM 741 O ILE A 51 -12.836 8.469 5.519 1.00 0.00 O ATOM 742 CB ILE A 51 -10.143 8.707 7.233 1.00 0.00 C ATOM 743 CG1 ILE A 51 -8.927 7.916 7.766 1.00 0.00 C ATOM 744 CG2 ILE A 51 -10.175 10.103 7.878 1.00 0.00 C ATOM 745 CD1 ILE A 51 -8.985 7.485 9.235 1.00 0.00 C ATOM 0 H ILE A 51 -10.620 6.499 6.182 1.00 0.00 H new ATOM 0 HA ILE A 51 -11.627 7.917 8.497 1.00 0.00 H new ATOM 0 HB ILE A 51 -10.029 8.830 6.156 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.805 7.023 7.153 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -8.034 8.525 7.624 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -9.218 10.600 7.718 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -10.971 10.695 7.426 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -10.359 10.005 8.948 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -8.077 6.939 9.490 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -9.069 8.367 9.870 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -9.851 6.842 9.392 1.00 0.00 H new ATOM 757 N ASP A 52 -13.477 9.318 7.495 1.00 0.00 N ATOM 758 CA ASP A 52 -14.827 9.633 7.062 1.00 0.00 C ATOM 759 C ASP A 52 -14.801 10.689 5.955 1.00 0.00 C ATOM 760 O ASP A 52 -14.298 11.800 6.156 1.00 0.00 O ATOM 761 CB ASP A 52 -15.662 10.059 8.272 1.00 0.00 C ATOM 762 CG ASP A 52 -16.917 9.206 8.336 1.00 0.00 C ATOM 763 OD1 ASP A 52 -16.830 8.088 8.899 1.00 0.00 O ATOM 764 OD2 ASP A 52 -17.959 9.643 7.800 1.00 0.00 O ATOM 0 H ASP A 52 -13.234 9.677 8.418 1.00 0.00 H new ATOM 0 HA ASP A 52 -15.299 8.749 6.633 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -15.082 9.944 9.188 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -15.928 11.113 8.193 1.00 0.00 H new ATOM 769 N GLY A 53 -15.326 10.351 4.775 1.00 0.00 N ATOM 770 CA GLY A 53 -15.379 11.254 3.627 1.00 0.00 C ATOM 771 C GLY A 53 -14.048 11.430 2.900 1.00 0.00 C ATOM 772 O GLY A 53 -13.920 12.348 2.087 1.00 0.00 O ATOM 0 H GLY A 53 -15.730 9.433 4.590 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -16.119 10.879 2.919 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -15.727 12.230 3.964 1.00 0.00 H new ATOM 776 N SER A 54 -13.056 10.586 3.183 1.00 0.00 N ATOM 777 CA SER A 54 -11.761 10.608 2.513 1.00 0.00 C ATOM 778 C SER A 54 -11.854 10.103 1.060 1.00 0.00 C ATOM 779 O SER A 54 -12.906 9.627 0.624 1.00 0.00 O ATOM 780 CB SER A 54 -10.793 9.782 3.359 1.00 0.00 C ATOM 781 OG SER A 54 -11.225 8.441 3.484 1.00 0.00 O ATOM 0 H SER A 54 -13.133 9.859 3.894 1.00 0.00 H new ATOM 0 HA SER A 54 -11.396 11.632 2.432 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.802 9.805 2.906 1.00 0.00 H new ATOM 0 HB3 SER A 54 -10.701 10.229 4.349 1.00 0.00 H new ATOM 0 HG SER A 54 -11.856 8.369 4.230 1.00 0.00 H new ATOM 787 N PRO A 55 -10.749 10.132 0.292 1.00 0.00 N ATOM 788 CA PRO A 55 -10.722 9.618 -1.067 1.00 0.00 C ATOM 789 C PRO A 55 -10.972 8.106 -1.065 1.00 0.00 C ATOM 790 O PRO A 55 -11.563 7.592 -2.008 1.00 0.00 O ATOM 791 CB PRO A 55 -9.336 9.959 -1.636 1.00 0.00 C ATOM 792 CG PRO A 55 -8.605 10.721 -0.528 1.00 0.00 C ATOM 793 CD PRO A 55 -9.399 10.413 0.728 1.00 0.00 C ATOM 0 HA PRO A 55 -11.504 10.064 -1.682 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.794 9.055 -1.912 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -9.422 10.566 -2.537 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.570 10.391 -0.435 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.581 11.792 -0.731 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.975 9.560 1.257 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.380 11.257 1.417 1.00 0.00 H new ATOM 801 N ALA A 56 -10.532 7.395 -0.013 1.00 0.00 N ATOM 802 CA ALA A 56 -10.805 5.966 0.126 1.00 0.00 C ATOM 803 C ALA A 56 -12.297 5.659 0.321 1.00 0.00 C ATOM 804 O ALA A 56 -12.706 4.550 0.002 1.00 0.00 O ATOM 805 CB ALA A 56 -9.989 5.396 1.292 1.00 0.00 C ATOM 0 H ALA A 56 -9.986 7.793 0.751 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.508 5.488 -0.807 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -10.195 4.330 1.393 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.926 5.544 1.099 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -10.265 5.908 2.214 1.00 0.00 H new ATOM 811 N ASP A 57 -13.096 6.605 0.832 1.00 0.00 N ATOM 812 CA ASP A 57 -14.551 6.438 0.914 1.00 0.00 C ATOM 813 C ASP A 57 -15.209 6.813 -0.412 1.00 0.00 C ATOM 814 O ASP A 57 -16.092 6.115 -0.902 1.00 0.00 O ATOM 815 CB ASP A 57 -15.153 7.325 2.013 1.00 0.00 C ATOM 816 CG ASP A 57 -16.650 7.038 2.156 1.00 0.00 C ATOM 817 OD1 ASP A 57 -16.992 5.995 2.762 1.00 0.00 O ATOM 818 OD2 ASP A 57 -17.475 7.877 1.717 1.00 0.00 O ATOM 0 H ASP A 57 -12.757 7.496 1.195 1.00 0.00 H new ATOM 0 HA ASP A 57 -14.740 5.390 1.147 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -14.647 7.139 2.960 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -14.997 8.376 1.769 1.00 0.00 H new ATOM 823 N ARG A 58 -14.815 7.960 -0.970 1.00 0.00 N ATOM 824 CA ARG A 58 -15.479 8.558 -2.123 1.00 0.00 C ATOM 825 C ARG A 58 -15.258 7.733 -3.383 1.00 0.00 C ATOM 826 O ARG A 58 -16.179 7.567 -4.187 1.00 0.00 O ATOM 827 CB ARG A 58 -14.969 9.989 -2.322 1.00 0.00 C ATOM 828 CG ARG A 58 -15.506 10.950 -1.254 1.00 0.00 C ATOM 829 CD ARG A 58 -14.955 12.363 -1.490 1.00 0.00 C ATOM 830 NE ARG A 58 -15.893 13.398 -1.035 1.00 0.00 N ATOM 831 CZ ARG A 58 -17.016 13.780 -1.652 1.00 0.00 C ATOM 832 NH1 ARG A 58 -17.397 13.200 -2.789 1.00 0.00 N ATOM 833 NH2 ARG A 58 -17.740 14.760 -1.131 1.00 0.00 N ATOM 0 H ARG A 58 -14.020 8.501 -0.630 1.00 0.00 H new ATOM 0 HA ARG A 58 -16.552 8.579 -1.931 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -13.879 9.991 -2.295 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.265 10.344 -3.309 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -16.595 10.967 -1.284 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -15.219 10.601 -0.262 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -14.007 12.476 -0.965 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -14.749 12.500 -2.552 1.00 0.00 H new ATOM 0 HE ARG A 58 -15.665 13.872 -0.161 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -16.830 12.457 -3.197 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -18.256 13.499 -3.251 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -17.439 15.214 -0.269 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -18.599 15.060 -1.592 1.00 0.00 H new ATOM 847 N CYS A 59 -14.044 7.234 -3.587 1.00 0.00 N ATOM 848 CA CYS A 59 -13.734 6.315 -4.663 1.00 0.00 C ATOM 849 C CYS A 59 -14.171 4.933 -4.183 1.00 0.00 C ATOM 850 O CYS A 59 -13.338 4.178 -3.681 1.00 0.00 O ATOM 851 CB CYS A 59 -12.230 6.370 -4.968 1.00 0.00 C ATOM 852 SG CYS A 59 -11.713 8.065 -5.377 1.00 0.00 S ATOM 0 H CYS A 59 -13.242 7.462 -3.000 1.00 0.00 H new ATOM 0 HA CYS A 59 -14.251 6.568 -5.589 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -11.667 6.011 -4.106 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -11.999 5.704 -5.799 1.00 0.00 H new ATOM 0 HG CYS A 59 -10.438 8.081 -5.628 1.00 0.00 H new ATOM 858 N ALA A 60 -15.468 4.633 -4.298 1.00 0.00 N ATOM 859 CA ALA A 60 -16.049 3.348 -3.925 1.00 0.00 C ATOM 860 C ALA A 60 -15.452 2.245 -4.799 1.00 0.00 C ATOM 861 O ALA A 60 -15.916 1.984 -5.914 1.00 0.00 O ATOM 862 CB ALA A 60 -17.574 3.390 -4.030 1.00 0.00 C ATOM 0 H ALA A 60 -16.155 5.294 -4.661 1.00 0.00 H new ATOM 0 HA ALA A 60 -15.807 3.131 -2.885 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -17.985 2.421 -3.747 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -17.964 4.158 -3.362 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -17.862 3.621 -5.056 1.00 0.00 H new ATOM 868 N LYS A 61 -14.352 1.674 -4.325 1.00 0.00 N ATOM 869 CA LYS A 61 -13.530 0.684 -5.000 1.00 0.00 C ATOM 870 C LYS A 61 -13.142 -0.415 -4.013 1.00 0.00 C ATOM 871 O LYS A 61 -12.987 -1.561 -4.444 1.00 0.00 O ATOM 872 CB LYS A 61 -12.267 1.358 -5.562 1.00 0.00 C ATOM 873 CG LYS A 61 -12.480 2.423 -6.642 1.00 0.00 C ATOM 874 CD LYS A 61 -12.805 1.869 -8.033 1.00 0.00 C ATOM 875 CE LYS A 61 -11.670 0.993 -8.589 1.00 0.00 C ATOM 876 NZ LYS A 61 -11.824 0.734 -10.038 1.00 0.00 N ATOM 0 H LYS A 61 -13.989 1.906 -3.400 1.00 0.00 H new ATOM 0 HA LYS A 61 -14.092 0.243 -5.823 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -11.728 1.817 -4.733 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -11.621 0.582 -5.972 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -13.291 3.081 -6.329 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -11.581 3.036 -6.711 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -13.723 1.283 -7.984 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -12.992 2.697 -8.717 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.713 1.483 -8.409 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -11.649 0.045 -8.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.037 0.140 -10.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -12.725 0.243 -10.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.818 1.637 -10.555 1.00 0.00 H new ATOM 890 N LEU A 62 -12.944 -0.074 -2.734 1.00 0.00 N ATOM 891 CA LEU A 62 -12.754 -1.025 -1.643 1.00 0.00 C ATOM 892 C LEU A 62 -13.567 -0.581 -0.440 1.00 0.00 C ATOM 893 O LEU A 62 -13.787 0.617 -0.242 1.00 0.00 O ATOM 894 CB LEU A 62 -11.263 -1.234 -1.296 1.00 0.00 C ATOM 895 CG LEU A 62 -10.503 -0.313 -0.305 1.00 0.00 C ATOM 896 CD1 LEU A 62 -10.501 1.192 -0.598 1.00 0.00 C ATOM 897 CD2 LEU A 62 -10.918 -0.530 1.147 1.00 0.00 C ATOM 0 H LEU A 62 -12.911 0.898 -2.426 1.00 0.00 H new ATOM 0 HA LEU A 62 -13.115 -2.001 -1.968 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -11.171 -2.250 -0.911 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -10.715 -1.199 -2.238 1.00 0.00 H new ATOM 0 HG LEU A 62 -9.478 -0.644 -0.469 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.934 1.712 0.174 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -10.041 1.373 -1.570 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -11.526 1.562 -0.607 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -10.352 0.142 1.792 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -11.983 -0.326 1.255 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.716 -1.562 1.433 1.00 0.00 H new ATOM 909 N LYS A 63 -13.932 -1.535 0.411 1.00 0.00 N ATOM 910 CA LYS A 63 -14.685 -1.313 1.640 1.00 0.00 C ATOM 911 C LYS A 63 -14.076 -2.095 2.799 1.00 0.00 C ATOM 912 O LYS A 63 -13.111 -2.849 2.652 1.00 0.00 O ATOM 913 CB LYS A 63 -16.176 -1.595 1.412 1.00 0.00 C ATOM 914 CG LYS A 63 -16.469 -3.058 1.044 1.00 0.00 C ATOM 915 CD LYS A 63 -17.942 -3.234 0.672 1.00 0.00 C ATOM 916 CE LYS A 63 -18.868 -3.096 1.887 1.00 0.00 C ATOM 917 NZ LYS A 63 -20.257 -2.868 1.464 1.00 0.00 N ATOM 0 H LYS A 63 -13.704 -2.517 0.258 1.00 0.00 H new ATOM 0 HA LYS A 63 -14.616 -0.263 1.926 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -16.730 -1.337 2.315 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -16.544 -0.947 0.616 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -15.838 -3.362 0.209 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -16.220 -3.707 1.884 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -18.217 -2.492 -0.078 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -18.085 -4.214 0.218 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -18.812 -3.998 2.496 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -18.533 -2.268 2.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -20.865 -2.778 2.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -20.310 -1.994 0.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -20.580 -3.670 0.887 1.00 0.00 H new ATOM 931 N VAL A 64 -14.566 -1.858 4.012 1.00 0.00 N ATOM 932 CA VAL A 64 -14.011 -2.474 5.208 1.00 0.00 C ATOM 933 C VAL A 64 -14.102 -4.012 5.088 1.00 0.00 C ATOM 934 O VAL A 64 -15.113 -4.555 4.639 1.00 0.00 O ATOM 935 CB VAL A 64 -14.681 -1.867 6.459 1.00 0.00 C ATOM 936 CG1 VAL A 64 -13.944 -2.293 7.732 1.00 0.00 C ATOM 937 CG2 VAL A 64 -14.686 -0.324 6.434 1.00 0.00 C ATOM 0 H VAL A 64 -15.355 -1.237 4.191 1.00 0.00 H new ATOM 0 HA VAL A 64 -12.948 -2.257 5.316 1.00 0.00 H new ATOM 0 HB VAL A 64 -15.707 -2.236 6.454 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -14.434 -1.853 8.601 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -13.962 -3.380 7.817 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -12.910 -1.950 7.686 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -15.168 0.053 7.336 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -13.660 0.043 6.391 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -15.233 0.024 5.558 1.00 0.00 H new ATOM 947 N GLY A 65 -13.043 -4.734 5.486 1.00 0.00 N ATOM 948 CA GLY A 65 -12.973 -6.197 5.487 1.00 0.00 C ATOM 949 C GLY A 65 -12.161 -6.796 4.342 1.00 0.00 C ATOM 950 O GLY A 65 -11.769 -7.949 4.448 1.00 0.00 O ATOM 0 H GLY A 65 -12.186 -4.298 5.826 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.541 -6.526 6.432 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -13.986 -6.596 5.444 1.00 0.00 H new ATOM 954 N ASP A 66 -11.837 -6.017 3.310 1.00 0.00 N ATOM 955 CA ASP A 66 -11.659 -6.436 1.907 1.00 0.00 C ATOM 956 C ASP A 66 -10.487 -7.358 1.511 1.00 0.00 C ATOM 957 O ASP A 66 -10.146 -7.467 0.338 1.00 0.00 O ATOM 958 CB ASP A 66 -11.691 -5.157 1.044 1.00 0.00 C ATOM 959 CG ASP A 66 -13.046 -4.900 0.371 1.00 0.00 C ATOM 960 OD1 ASP A 66 -14.057 -5.513 0.788 1.00 0.00 O ATOM 961 OD2 ASP A 66 -13.093 -4.066 -0.538 1.00 0.00 O ATOM 0 H ASP A 66 -11.681 -5.016 3.431 1.00 0.00 H new ATOM 0 HA ASP A 66 -12.485 -7.124 1.726 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -11.438 -4.301 1.670 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.921 -5.229 0.275 1.00 0.00 H new ATOM 966 N ARG A 67 -9.888 -8.075 2.457 1.00 0.00 N ATOM 967 CA ARG A 67 -8.928 -9.172 2.257 1.00 0.00 C ATOM 968 C ARG A 67 -7.884 -8.858 1.185 1.00 0.00 C ATOM 969 O ARG A 67 -7.902 -9.396 0.071 1.00 0.00 O ATOM 970 CB ARG A 67 -9.659 -10.488 1.928 1.00 0.00 C ATOM 971 CG ARG A 67 -10.720 -10.858 2.966 1.00 0.00 C ATOM 972 CD ARG A 67 -11.174 -12.309 2.756 1.00 0.00 C ATOM 973 NE ARG A 67 -12.631 -12.411 2.580 1.00 0.00 N ATOM 974 CZ ARG A 67 -13.526 -12.823 3.482 1.00 0.00 C ATOM 975 NH1 ARG A 67 -13.177 -13.207 4.708 1.00 0.00 N ATOM 976 NH2 ARG A 67 -14.799 -12.830 3.130 1.00 0.00 N ATOM 0 H ARG A 67 -10.066 -7.900 3.446 1.00 0.00 H new ATOM 0 HA ARG A 67 -8.391 -9.289 3.198 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -10.131 -10.400 0.949 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -8.929 -11.295 1.859 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -10.316 -10.736 3.971 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -11.573 -10.185 2.882 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -10.673 -12.722 1.880 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -10.869 -12.912 3.612 1.00 0.00 H new ATOM 0 HE ARG A 67 -12.998 -12.137 1.669 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -12.196 -13.193 4.987 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -13.891 -13.515 5.368 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -15.071 -12.527 2.195 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -15.510 -13.138 3.793 1.00 0.00 H new ATOM 990 N ILE A 68 -6.971 -7.967 1.542 1.00 0.00 N ATOM 991 CA ILE A 68 -6.021 -7.402 0.598 1.00 0.00 C ATOM 992 C ILE A 68 -5.107 -8.541 0.118 1.00 0.00 C ATOM 993 O ILE A 68 -4.825 -9.482 0.863 1.00 0.00 O ATOM 994 CB ILE A 68 -5.269 -6.208 1.239 1.00 0.00 C ATOM 995 CG1 ILE A 68 -6.232 -5.189 1.902 1.00 0.00 C ATOM 996 CG2 ILE A 68 -4.425 -5.464 0.186 1.00 0.00 C ATOM 997 CD1 ILE A 68 -5.507 -4.201 2.818 1.00 0.00 C ATOM 0 H ILE A 68 -6.869 -7.616 2.494 1.00 0.00 H new ATOM 0 HA ILE A 68 -6.518 -6.983 -0.277 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.626 -6.633 2.010 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.761 -4.637 1.125 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -6.984 -5.728 2.478 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.906 -4.630 0.659 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.694 -6.149 -0.245 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.077 -5.086 -0.602 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -6.230 -3.512 3.255 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -5.000 -4.747 3.614 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.774 -3.639 2.239 1.00 0.00 H new ATOM 1009 N LEU A 69 -4.660 -8.470 -1.136 1.00 0.00 N ATOM 1010 CA LEU A 69 -3.702 -9.396 -1.727 1.00 0.00 C ATOM 1011 C LEU A 69 -2.323 -8.748 -1.788 1.00 0.00 C ATOM 1012 O LEU A 69 -1.339 -9.361 -1.368 1.00 0.00 O ATOM 1013 CB LEU A 69 -4.134 -9.798 -3.151 1.00 0.00 C ATOM 1014 CG LEU A 69 -5.010 -11.055 -3.232 1.00 0.00 C ATOM 1015 CD1 LEU A 69 -5.608 -11.173 -4.634 1.00 0.00 C ATOM 1016 CD2 LEU A 69 -4.171 -12.304 -2.961 1.00 0.00 C ATOM 0 H LEU A 69 -4.965 -7.745 -1.785 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.665 -10.289 -1.103 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.677 -8.966 -3.598 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.240 -9.957 -3.754 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.801 -10.974 -2.486 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.230 -12.066 -4.690 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.216 -10.293 -4.845 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.805 -11.243 -5.367 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.805 -13.188 -3.022 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.376 -12.376 -3.703 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.733 -12.239 -1.965 1.00 0.00 H new ATOM 1028 N ALA A 70 -2.225 -7.548 -2.370 1.00 0.00 N ATOM 1029 CA ALA A 70 -0.956 -6.885 -2.646 1.00 0.00 C ATOM 1030 C ALA A 70 -1.155 -5.369 -2.759 1.00 0.00 C ATOM 1031 O ALA A 70 -2.289 -4.899 -2.856 1.00 0.00 O ATOM 1032 CB ALA A 70 -0.392 -7.434 -3.971 1.00 0.00 C ATOM 0 H ALA A 70 -3.038 -7.007 -2.665 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.260 -7.080 -1.830 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.558 -6.947 -4.191 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.237 -8.509 -3.883 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.098 -7.234 -4.777 1.00 0.00 H new ATOM 1038 N VAL A 71 -0.054 -4.621 -2.827 1.00 0.00 N ATOM 1039 CA VAL A 71 -0.027 -3.177 -3.025 1.00 0.00 C ATOM 1040 C VAL A 71 0.838 -2.883 -4.240 1.00 0.00 C ATOM 1041 O VAL A 71 2.019 -3.205 -4.239 1.00 0.00 O ATOM 1042 CB VAL A 71 0.375 -2.467 -1.724 1.00 0.00 C ATOM 1043 CG1 VAL A 71 1.799 -2.747 -1.248 1.00 0.00 C ATOM 1044 CG2 VAL A 71 0.158 -0.955 -1.851 1.00 0.00 C ATOM 0 H VAL A 71 0.879 -5.023 -2.742 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.013 -2.770 -3.248 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.279 -2.888 -0.960 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.987 -2.201 -0.323 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.920 -3.816 -1.070 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.508 -2.424 -2.011 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.448 -0.466 -0.921 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.766 -0.568 -2.669 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.894 -0.754 -2.054 1.00 0.00 H new ATOM 1054 N ASN A 72 0.230 -2.364 -5.310 1.00 0.00 N ATOM 1055 CA ASN A 72 0.818 -2.217 -6.642 1.00 0.00 C ATOM 1056 C ASN A 72 1.552 -3.504 -7.039 1.00 0.00 C ATOM 1057 O ASN A 72 2.679 -3.473 -7.531 1.00 0.00 O ATOM 1058 CB ASN A 72 1.736 -0.992 -6.698 1.00 0.00 C ATOM 1059 CG ASN A 72 1.073 0.306 -6.261 1.00 0.00 C ATOM 1060 OD1 ASN A 72 0.007 0.683 -6.736 1.00 0.00 O ATOM 1061 ND2 ASN A 72 1.664 1.004 -5.308 1.00 0.00 N ATOM 0 H ASN A 72 -0.729 -2.019 -5.268 1.00 0.00 H new ATOM 0 HA ASN A 72 0.021 -2.052 -7.367 1.00 0.00 H new ATOM 0 HB2 ASN A 72 2.605 -1.174 -6.065 1.00 0.00 H new ATOM 0 HB3 ASN A 72 2.103 -0.874 -7.717 1.00 0.00 H new ATOM 0 HD21 ASN A 72 1.234 1.862 -4.963 1.00 0.00 H new ATOM 0 HD22 ASN A 72 2.550 0.685 -4.917 1.00 0.00 H new ATOM 1068 N GLY A 73 0.941 -4.650 -6.739 1.00 0.00 N ATOM 1069 CA GLY A 73 1.476 -5.961 -7.047 1.00 0.00 C ATOM 1070 C GLY A 73 2.606 -6.446 -6.142 1.00 0.00 C ATOM 1071 O GLY A 73 3.113 -7.544 -6.377 1.00 0.00 O ATOM 0 H GLY A 73 0.039 -4.685 -6.264 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.662 -6.685 -7.001 1.00 0.00 H new ATOM 0 HA3 GLY A 73 1.837 -5.953 -8.075 1.00 0.00 H new ATOM 1075 N GLN A 74 2.985 -5.718 -5.092 1.00 0.00 N ATOM 1076 CA GLN A 74 3.969 -6.166 -4.112 1.00 0.00 C ATOM 1077 C GLN A 74 3.209 -6.985 -3.070 1.00 0.00 C ATOM 1078 O GLN A 74 2.222 -6.496 -2.517 1.00 0.00 O ATOM 1079 CB GLN A 74 4.642 -4.949 -3.468 1.00 0.00 C ATOM 1080 CG GLN A 74 5.338 -4.040 -4.499 1.00 0.00 C ATOM 1081 CD GLN A 74 6.768 -4.452 -4.827 1.00 0.00 C ATOM 1082 OE1 GLN A 74 7.156 -5.619 -4.763 1.00 0.00 O ATOM 1083 NE2 GLN A 74 7.591 -3.482 -5.182 1.00 0.00 N ATOM 0 H GLN A 74 2.611 -4.789 -4.897 1.00 0.00 H new ATOM 0 HA GLN A 74 4.752 -6.769 -4.572 1.00 0.00 H new ATOM 0 HB2 GLN A 74 3.894 -4.370 -2.925 1.00 0.00 H new ATOM 0 HB3 GLN A 74 5.375 -5.289 -2.736 1.00 0.00 H new ATOM 0 HG2 GLN A 74 4.752 -4.037 -5.418 1.00 0.00 H new ATOM 0 HG3 GLN A 74 5.344 -3.018 -4.121 1.00 0.00 H new ATOM 0 HE21 GLN A 74 7.255 -2.520 -5.230 1.00 0.00 H new ATOM 0 HE22 GLN A 74 8.563 -3.695 -5.408 1.00 0.00 H new ATOM 1092 N SER A 75 3.584 -8.248 -2.863 1.00 0.00 N ATOM 1093 CA SER A 75 2.901 -9.102 -1.905 1.00 0.00 C ATOM 1094 C SER A 75 3.168 -8.565 -0.504 1.00 0.00 C ATOM 1095 O SER A 75 4.303 -8.265 -0.155 1.00 0.00 O ATOM 1096 CB SER A 75 3.401 -10.541 -2.033 1.00 0.00 C ATOM 1097 OG SER A 75 2.531 -11.455 -1.394 1.00 0.00 O ATOM 0 H SER A 75 4.359 -8.698 -3.350 1.00 0.00 H new ATOM 0 HA SER A 75 1.829 -9.100 -2.100 1.00 0.00 H new ATOM 0 HB2 SER A 75 3.493 -10.802 -3.087 1.00 0.00 H new ATOM 0 HB3 SER A 75 4.397 -10.621 -1.597 1.00 0.00 H new ATOM 0 HG SER A 75 2.880 -12.365 -1.497 1.00 0.00 H new ATOM 1103 N ILE A 76 2.115 -8.492 0.301 1.00 0.00 N ATOM 1104 CA ILE A 76 2.117 -7.936 1.656 1.00 0.00 C ATOM 1105 C ILE A 76 1.961 -9.046 2.714 1.00 0.00 C ATOM 1106 O ILE A 76 1.903 -8.787 3.910 1.00 0.00 O ATOM 1107 CB ILE A 76 1.020 -6.850 1.746 1.00 0.00 C ATOM 1108 CG1 ILE A 76 -0.365 -7.492 1.502 1.00 0.00 C ATOM 1109 CG2 ILE A 76 1.281 -5.724 0.725 1.00 0.00 C ATOM 1110 CD1 ILE A 76 -1.540 -6.531 1.491 1.00 0.00 C ATOM 0 H ILE A 76 1.196 -8.832 0.019 1.00 0.00 H new ATOM 0 HA ILE A 76 3.077 -7.466 1.869 1.00 0.00 H new ATOM 0 HB ILE A 76 1.040 -6.410 2.743 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.339 -8.017 0.547 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.539 -8.242 2.274 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.497 -4.971 0.806 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.248 -5.265 0.929 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.282 -6.140 -0.283 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.461 -7.085 1.312 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.603 -6.023 2.453 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.400 -5.794 0.700 1.00 0.00 H new ATOM 1122 N ILE A 77 1.857 -10.298 2.266 1.00 0.00 N ATOM 1123 CA ILE A 77 1.681 -11.477 3.106 1.00 0.00 C ATOM 1124 C ILE A 77 2.939 -11.671 3.970 1.00 0.00 C ATOM 1125 O ILE A 77 2.864 -11.649 5.204 1.00 0.00 O ATOM 1126 CB ILE A 77 1.334 -12.683 2.201 1.00 0.00 C ATOM 1127 CG1 ILE A 77 -0.013 -12.397 1.491 1.00 0.00 C ATOM 1128 CG2 ILE A 77 1.283 -14.008 2.984 1.00 0.00 C ATOM 1129 CD1 ILE A 77 -0.459 -13.488 0.522 1.00 0.00 C ATOM 0 H ILE A 77 1.895 -10.524 1.272 1.00 0.00 H new ATOM 0 HA ILE A 77 0.851 -11.364 3.803 1.00 0.00 H new ATOM 0 HB ILE A 77 2.125 -12.804 1.461 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.786 -12.261 2.247 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.070 -11.456 0.947 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.036 -14.823 2.304 1.00 0.00 H new ATOM 0 HG22 ILE A 77 2.254 -14.198 3.441 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.523 -13.942 3.762 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.410 -13.207 0.070 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.292 -13.610 -0.259 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.578 -14.428 1.062 1.00 0.00 H new ATOM 1141 N ASN A 78 4.087 -11.888 3.319 1.00 0.00 N ATOM 1142 CA ASN A 78 5.355 -12.197 3.980 1.00 0.00 C ATOM 1143 C ASN A 78 6.184 -10.946 4.258 1.00 0.00 C ATOM 1144 O ASN A 78 7.043 -10.974 5.136 1.00 0.00 O ATOM 1145 CB ASN A 78 6.213 -13.111 3.100 1.00 0.00 C ATOM 1146 CG ASN A 78 5.765 -14.560 3.083 1.00 0.00 C ATOM 1147 OD1 ASN A 78 4.654 -14.882 2.665 1.00 0.00 O ATOM 1148 ND2 ASN A 78 6.608 -15.467 3.538 1.00 0.00 N ATOM 0 H ASN A 78 4.160 -11.853 2.302 1.00 0.00 H new ATOM 0 HA ASN A 78 5.091 -12.681 4.921 1.00 0.00 H new ATOM 0 HB2 ASN A 78 6.203 -12.728 2.080 1.00 0.00 H new ATOM 0 HB3 ASN A 78 7.245 -13.066 3.447 1.00 0.00 H new ATOM 0 HD21 ASN A 78 6.342 -16.452 3.547 1.00 0.00 H new ATOM 0 HD22 ASN A 78 7.526 -15.184 3.881 1.00 0.00 H new ATOM 1155 N MET A 79 5.977 -9.869 3.502 1.00 0.00 N ATOM 1156 CA MET A 79 6.654 -8.608 3.652 1.00 0.00 C ATOM 1157 C MET A 79 6.348 -8.054 5.048 1.00 0.00 C ATOM 1158 O MET A 79 5.206 -8.179 5.499 1.00 0.00 O ATOM 1159 CB MET A 79 6.089 -7.738 2.531 1.00 0.00 C ATOM 1160 CG MET A 79 6.974 -6.572 2.177 1.00 0.00 C ATOM 1161 SD MET A 79 6.354 -5.670 0.728 1.00 0.00 S ATOM 1162 CE MET A 79 7.807 -4.676 0.314 1.00 0.00 C ATOM 0 H MET A 79 5.301 -9.864 2.738 1.00 0.00 H new ATOM 0 HA MET A 79 7.740 -8.665 3.576 1.00 0.00 H new ATOM 0 HB2 MET A 79 5.939 -8.353 1.644 1.00 0.00 H new ATOM 0 HB3 MET A 79 5.110 -7.364 2.829 1.00 0.00 H new ATOM 0 HG2 MET A 79 7.038 -5.893 3.027 1.00 0.00 H new ATOM 0 HG3 MET A 79 7.984 -6.930 1.978 1.00 0.00 H new ATOM 0 HE1 MET A 79 7.763 -4.388 -0.736 1.00 0.00 H new ATOM 0 HE2 MET A 79 7.825 -3.781 0.936 1.00 0.00 H new ATOM 0 HE3 MET A 79 8.710 -5.260 0.493 1.00 0.00 H new ATOM 1172 N PRO A 80 7.322 -7.491 5.773 1.00 0.00 N ATOM 1173 CA PRO A 80 7.088 -6.997 7.120 1.00 0.00 C ATOM 1174 C PRO A 80 6.334 -5.666 7.057 1.00 0.00 C ATOM 1175 O PRO A 80 6.493 -4.878 6.120 1.00 0.00 O ATOM 1176 CB PRO A 80 8.474 -6.877 7.749 1.00 0.00 C ATOM 1177 CG PRO A 80 9.390 -6.632 6.553 1.00 0.00 C ATOM 1178 CD PRO A 80 8.702 -7.309 5.371 1.00 0.00 C ATOM 0 HA PRO A 80 6.463 -7.656 7.723 1.00 0.00 H new ATOM 0 HB2 PRO A 80 8.520 -6.056 8.464 1.00 0.00 H new ATOM 0 HB3 PRO A 80 8.750 -7.784 8.287 1.00 0.00 H new ATOM 0 HG2 PRO A 80 9.523 -5.565 6.372 1.00 0.00 H new ATOM 0 HG3 PRO A 80 10.381 -7.052 6.724 1.00 0.00 H new ATOM 0 HD2 PRO A 80 8.771 -6.694 4.473 1.00 0.00 H new ATOM 0 HD3 PRO A 80 9.172 -8.265 5.139 1.00 0.00 H new ATOM 1186 N HIS A 81 5.510 -5.402 8.074 1.00 0.00 N ATOM 1187 CA HIS A 81 4.504 -4.347 8.028 1.00 0.00 C ATOM 1188 C HIS A 81 5.089 -2.940 7.824 1.00 0.00 C ATOM 1189 O HIS A 81 4.457 -2.110 7.172 1.00 0.00 O ATOM 1190 CB HIS A 81 3.629 -4.439 9.283 1.00 0.00 C ATOM 1191 CG HIS A 81 2.313 -3.716 9.156 1.00 0.00 C ATOM 1192 ND1 HIS A 81 1.385 -3.873 8.147 1.00 0.00 N ATOM 1193 CD2 HIS A 81 1.786 -2.848 10.073 1.00 0.00 C ATOM 1194 CE1 HIS A 81 0.318 -3.125 8.454 1.00 0.00 C ATOM 1195 NE2 HIS A 81 0.522 -2.462 9.608 1.00 0.00 N ATOM 0 H HIS A 81 5.525 -5.918 8.954 1.00 0.00 H new ATOM 0 HA HIS A 81 3.888 -4.510 7.143 1.00 0.00 H new ATOM 0 HB2 HIS A 81 3.437 -5.489 9.506 1.00 0.00 H new ATOM 0 HB3 HIS A 81 4.179 -4.029 10.130 1.00 0.00 H new ATOM 0 HD1 HIS A 81 1.493 -4.455 7.316 1.00 0.00 H new ATOM 0 HD2 HIS A 81 2.258 -2.520 10.988 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -0.581 -3.062 7.859 1.00 0.00 H new ATOM 1203 N ALA A 82 6.295 -2.656 8.325 1.00 0.00 N ATOM 1204 CA ALA A 82 6.960 -1.371 8.108 1.00 0.00 C ATOM 1205 C ALA A 82 7.448 -1.186 6.674 1.00 0.00 C ATOM 1206 O ALA A 82 7.538 -0.041 6.218 1.00 0.00 O ATOM 1207 CB ALA A 82 8.148 -1.248 9.063 1.00 0.00 C ATOM 0 H ALA A 82 6.835 -3.310 8.891 1.00 0.00 H new ATOM 0 HA ALA A 82 6.221 -0.593 8.300 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.646 -0.291 8.904 1.00 0.00 H new ATOM 0 HB2 ALA A 82 7.795 -1.306 10.093 1.00 0.00 H new ATOM 0 HB3 ALA A 82 8.852 -2.059 8.875 1.00 0.00 H new ATOM 1213 N ASP A 83 7.758 -2.274 5.969 1.00 0.00 N ATOM 1214 CA ASP A 83 8.142 -2.180 4.567 1.00 0.00 C ATOM 1215 C ASP A 83 6.891 -1.914 3.745 1.00 0.00 C ATOM 1216 O ASP A 83 6.900 -1.012 2.917 1.00 0.00 O ATOM 1217 CB ASP A 83 8.892 -3.431 4.095 1.00 0.00 C ATOM 1218 CG ASP A 83 10.026 -3.040 3.142 1.00 0.00 C ATOM 1219 OD1 ASP A 83 10.877 -2.223 3.555 1.00 0.00 O ATOM 1220 OD2 ASP A 83 10.091 -3.544 2.003 1.00 0.00 O ATOM 0 H ASP A 83 7.750 -3.222 6.345 1.00 0.00 H new ATOM 0 HA ASP A 83 8.841 -1.354 4.434 1.00 0.00 H new ATOM 0 HB2 ASP A 83 9.297 -3.967 4.954 1.00 0.00 H new ATOM 0 HB3 ASP A 83 8.202 -4.109 3.592 1.00 0.00 H new ATOM 1225 N ILE A 84 5.779 -2.595 4.057 1.00 0.00 N ATOM 1226 CA ILE A 84 4.457 -2.341 3.482 1.00 0.00 C ATOM 1227 C ILE A 84 4.027 -0.879 3.740 1.00 0.00 C ATOM 1228 O ILE A 84 3.457 -0.249 2.849 1.00 0.00 O ATOM 1229 CB ILE A 84 3.437 -3.380 4.006 1.00 0.00 C ATOM 1230 CG1 ILE A 84 3.866 -4.819 3.632 1.00 0.00 C ATOM 1231 CG2 ILE A 84 2.026 -3.167 3.420 1.00 0.00 C ATOM 1232 CD1 ILE A 84 3.320 -5.863 4.597 1.00 0.00 C ATOM 0 H ILE A 84 5.778 -3.357 4.735 1.00 0.00 H new ATOM 0 HA ILE A 84 4.498 -2.463 2.400 1.00 0.00 H new ATOM 0 HB ILE A 84 3.413 -3.244 5.087 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.521 -5.046 2.623 1.00 0.00 H new ATOM 0 HG13 ILE A 84 4.954 -4.877 3.617 1.00 0.00 H new ATOM 0 HG21 ILE A 84 1.348 -3.922 3.819 1.00 0.00 H new ATOM 0 HG22 ILE A 84 1.665 -2.175 3.692 1.00 0.00 H new ATOM 0 HG23 ILE A 84 2.066 -3.254 2.334 1.00 0.00 H new ATOM 0 HD11 ILE A 84 3.652 -6.854 4.287 1.00 0.00 H new ATOM 0 HD12 ILE A 84 3.686 -5.656 5.603 1.00 0.00 H new ATOM 0 HD13 ILE A 84 2.231 -5.828 4.593 1.00 0.00 H new ATOM 1244 N VAL A 85 4.325 -0.292 4.905 1.00 0.00 N ATOM 1245 CA VAL A 85 4.096 1.127 5.149 1.00 0.00 C ATOM 1246 C VAL A 85 4.926 1.960 4.167 1.00 0.00 C ATOM 1247 O VAL A 85 4.363 2.828 3.490 1.00 0.00 O ATOM 1248 CB VAL A 85 4.339 1.451 6.632 1.00 0.00 C ATOM 1249 CG1 VAL A 85 4.573 2.937 6.910 1.00 0.00 C ATOM 1250 CG2 VAL A 85 3.167 0.977 7.507 1.00 0.00 C ATOM 0 H VAL A 85 4.730 -0.789 5.698 1.00 0.00 H new ATOM 0 HA VAL A 85 3.056 1.393 4.959 1.00 0.00 H new ATOM 0 HB VAL A 85 5.252 0.913 6.886 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.737 3.086 7.977 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.449 3.277 6.358 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.700 3.508 6.594 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.370 1.221 8.550 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.251 1.475 7.189 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.048 -0.102 7.403 1.00 0.00 H new ATOM 1260 N LYS A 86 6.242 1.722 4.061 1.00 0.00 N ATOM 1261 CA LYS A 86 7.036 2.509 3.109 1.00 0.00 C ATOM 1262 C LYS A 86 6.533 2.342 1.685 1.00 0.00 C ATOM 1263 O LYS A 86 6.462 3.315 0.953 1.00 0.00 O ATOM 1264 CB LYS A 86 8.536 2.189 3.134 1.00 0.00 C ATOM 1265 CG LYS A 86 9.289 3.483 2.752 1.00 0.00 C ATOM 1266 CD LYS A 86 10.772 3.309 2.429 1.00 0.00 C ATOM 1267 CE LYS A 86 11.644 3.226 3.682 1.00 0.00 C ATOM 1268 NZ LYS A 86 13.044 2.922 3.329 1.00 0.00 N ATOM 0 H LYS A 86 6.759 1.024 4.596 1.00 0.00 H new ATOM 0 HA LYS A 86 6.908 3.540 3.438 1.00 0.00 H new ATOM 0 HB2 LYS A 86 8.839 1.846 4.123 1.00 0.00 H new ATOM 0 HB3 LYS A 86 8.770 1.387 2.433 1.00 0.00 H new ATOM 0 HG2 LYS A 86 8.796 3.928 1.887 1.00 0.00 H new ATOM 0 HG3 LYS A 86 9.195 4.194 3.573 1.00 0.00 H new ATOM 0 HD2 LYS A 86 10.907 2.404 1.837 1.00 0.00 H new ATOM 0 HD3 LYS A 86 11.106 4.145 1.814 1.00 0.00 H new ATOM 0 HE2 LYS A 86 11.598 4.170 4.225 1.00 0.00 H new ATOM 0 HE3 LYS A 86 11.257 2.455 4.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 13.617 2.871 4.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 13.086 2.010 2.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 13.417 3.671 2.711 1.00 0.00 H new ATOM 1282 N LEU A 87 6.159 1.135 1.293 1.00 0.00 N ATOM 1283 CA LEU A 87 5.600 0.781 0.011 1.00 0.00 C ATOM 1284 C LEU A 87 4.390 1.637 -0.343 1.00 0.00 C ATOM 1285 O LEU A 87 4.284 2.069 -1.492 1.00 0.00 O ATOM 1286 CB LEU A 87 5.206 -0.691 0.141 1.00 0.00 C ATOM 1287 CG LEU A 87 6.167 -1.755 -0.389 1.00 0.00 C ATOM 1288 CD1 LEU A 87 5.728 -2.193 -1.768 1.00 0.00 C ATOM 1289 CD2 LEU A 87 7.635 -1.344 -0.479 1.00 0.00 C ATOM 0 H LEU A 87 6.246 0.326 1.908 1.00 0.00 H new ATOM 0 HA LEU A 87 6.319 0.949 -0.791 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.035 -0.896 1.198 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.251 -0.824 -0.368 1.00 0.00 H new ATOM 0 HG LEU A 87 6.117 -2.555 0.350 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.414 -2.952 -2.144 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.722 -2.608 -1.715 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.731 -1.335 -2.440 1.00 0.00 H new ATOM 0 HD21 LEU A 87 8.223 -2.176 -0.867 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.733 -0.488 -1.147 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.999 -1.074 0.512 1.00 0.00 H new ATOM 1301 N ILE A 88 3.487 1.885 0.611 1.00 0.00 N ATOM 1302 CA ILE A 88 2.329 2.747 0.418 1.00 0.00 C ATOM 1303 C ILE A 88 2.812 4.189 0.279 1.00 0.00 C ATOM 1304 O ILE A 88 2.314 4.912 -0.584 1.00 0.00 O ATOM 1305 CB ILE A 88 1.351 2.578 1.601 1.00 0.00 C ATOM 1306 CG1 ILE A 88 0.758 1.151 1.629 1.00 0.00 C ATOM 1307 CG2 ILE A 88 0.204 3.602 1.545 1.00 0.00 C ATOM 1308 CD1 ILE A 88 0.147 0.769 2.981 1.00 0.00 C ATOM 0 H ILE A 88 3.545 1.486 1.548 1.00 0.00 H new ATOM 0 HA ILE A 88 1.792 2.474 -0.490 1.00 0.00 H new ATOM 0 HB ILE A 88 1.926 2.750 2.511 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.007 1.069 0.857 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.541 0.436 1.378 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.462 3.449 2.394 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.615 4.611 1.582 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.355 3.472 0.618 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.250 -0.245 2.928 1.00 0.00 H new ATOM 0 HD12 ILE A 88 0.914 0.818 3.754 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -0.659 1.461 3.225 1.00 0.00 H new ATOM 1320 N LYS A 89 3.767 4.622 1.111 1.00 0.00 N ATOM 1321 CA LYS A 89 4.313 5.969 1.031 1.00 0.00 C ATOM 1322 C LYS A 89 4.912 6.224 -0.350 1.00 0.00 C ATOM 1323 O LYS A 89 4.569 7.209 -1.002 1.00 0.00 O ATOM 1324 CB LYS A 89 5.332 6.199 2.158 1.00 0.00 C ATOM 1325 CG LYS A 89 5.513 7.704 2.355 1.00 0.00 C ATOM 1326 CD LYS A 89 6.631 8.048 3.333 1.00 0.00 C ATOM 1327 CE LYS A 89 6.701 9.563 3.547 1.00 0.00 C ATOM 1328 NZ LYS A 89 7.062 10.312 2.324 1.00 0.00 N ATOM 0 H LYS A 89 4.175 4.049 1.850 1.00 0.00 H new ATOM 0 HA LYS A 89 3.507 6.690 1.169 1.00 0.00 H new ATOM 0 HB2 LYS A 89 4.985 5.736 3.082 1.00 0.00 H new ATOM 0 HB3 LYS A 89 6.285 5.733 1.907 1.00 0.00 H new ATOM 0 HG2 LYS A 89 5.725 8.168 1.392 1.00 0.00 H new ATOM 0 HG3 LYS A 89 4.578 8.132 2.716 1.00 0.00 H new ATOM 0 HD2 LYS A 89 6.458 7.547 4.285 1.00 0.00 H new ATOM 0 HD3 LYS A 89 7.584 7.683 2.950 1.00 0.00 H new ATOM 0 HE2 LYS A 89 5.736 9.916 3.909 1.00 0.00 H new ATOM 0 HE3 LYS A 89 7.432 9.779 4.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 7.225 11.311 2.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 7.928 9.909 1.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 6.287 10.244 1.634 1.00 0.00 H new ATOM 1342 N ASP A 90 5.752 5.295 -0.796 1.00 0.00 N ATOM 1343 CA ASP A 90 6.443 5.230 -2.074 1.00 0.00 C ATOM 1344 C ASP A 90 5.464 5.125 -3.238 1.00 0.00 C ATOM 1345 O ASP A 90 5.860 5.388 -4.374 1.00 0.00 O ATOM 1346 CB ASP A 90 7.354 3.987 -2.121 1.00 0.00 C ATOM 1347 CG ASP A 90 8.656 4.062 -1.326 1.00 0.00 C ATOM 1348 OD1 ASP A 90 9.146 5.181 -1.042 1.00 0.00 O ATOM 1349 OD2 ASP A 90 9.231 2.977 -1.053 1.00 0.00 O ATOM 0 H ASP A 90 5.987 4.492 -0.213 1.00 0.00 H new ATOM 0 HA ASP A 90 7.024 6.147 -2.168 1.00 0.00 H new ATOM 0 HB2 ASP A 90 6.783 3.132 -1.759 1.00 0.00 H new ATOM 0 HB3 ASP A 90 7.602 3.786 -3.163 1.00 0.00 H new ATOM 1354 N ALA A 91 4.203 4.731 -3.009 1.00 0.00 N ATOM 1355 CA ALA A 91 3.196 4.784 -4.060 1.00 0.00 C ATOM 1356 C ALA A 91 2.984 6.242 -4.499 1.00 0.00 C ATOM 1357 O ALA A 91 2.813 6.521 -5.690 1.00 0.00 O ATOM 1358 CB ALA A 91 1.906 4.104 -3.592 1.00 0.00 C ATOM 0 H ALA A 91 3.866 4.377 -2.114 1.00 0.00 H new ATOM 0 HA ALA A 91 3.537 4.231 -4.936 1.00 0.00 H new ATOM 0 HB1 ALA A 91 1.161 4.150 -4.387 1.00 0.00 H new ATOM 0 HB2 ALA A 91 2.112 3.062 -3.348 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.525 4.615 -2.708 1.00 0.00 H new ATOM 1364 N GLY A 92 3.094 7.185 -3.558 1.00 0.00 N ATOM 1365 CA GLY A 92 3.073 8.621 -3.778 1.00 0.00 C ATOM 1366 C GLY A 92 1.690 9.148 -3.452 1.00 0.00 C ATOM 1367 O GLY A 92 1.367 9.362 -2.281 1.00 0.00 O ATOM 0 H GLY A 92 3.206 6.947 -2.573 1.00 0.00 H new ATOM 0 HA2 GLY A 92 3.820 9.109 -3.152 1.00 0.00 H new ATOM 0 HA3 GLY A 92 3.328 8.847 -4.813 1.00 0.00 H new ATOM 1371 N LEU A 93 0.862 9.331 -4.480 1.00 0.00 N ATOM 1372 CA LEU A 93 -0.516 9.814 -4.354 1.00 0.00 C ATOM 1373 C LEU A 93 -1.506 8.835 -4.924 1.00 0.00 C ATOM 1374 O LEU A 93 -2.638 8.774 -4.468 1.00 0.00 O ATOM 1375 CB LEU A 93 -0.745 11.105 -5.139 1.00 0.00 C ATOM 1376 CG LEU A 93 0.162 12.218 -4.664 1.00 0.00 C ATOM 1377 CD1 LEU A 93 0.101 13.414 -5.613 1.00 0.00 C ATOM 1378 CD2 LEU A 93 -0.216 12.642 -3.245 1.00 0.00 C ATOM 0 H LEU A 93 1.135 9.144 -5.445 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.661 9.962 -3.284 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.571 10.922 -6.199 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.785 11.414 -5.035 1.00 0.00 H new ATOM 0 HG LEU A 93 1.186 11.844 -4.656 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.762 14.201 -5.250 1.00 0.00 H new ATOM 0 HD12 LEU A 93 0.418 13.105 -6.609 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.921 13.791 -5.658 1.00 0.00 H new ATOM 0 HD21 LEU A 93 0.445 13.444 -2.916 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.247 12.995 -3.233 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -0.116 11.790 -2.572 1.00 0.00 H new ATOM 1390 N SER A 94 -1.066 8.076 -5.907 1.00 0.00 N ATOM 1391 CA SER A 94 -1.810 6.949 -6.425 1.00 0.00 C ATOM 1392 C SER A 94 -1.316 5.728 -5.666 1.00 0.00 C ATOM 1393 O SER A 94 -0.138 5.628 -5.330 1.00 0.00 O ATOM 1394 CB SER A 94 -1.589 6.798 -7.937 1.00 0.00 C ATOM 1395 OG SER A 94 -0.276 7.142 -8.351 1.00 0.00 O ATOM 0 H SER A 94 -0.171 8.227 -6.373 1.00 0.00 H new ATOM 0 HA SER A 94 -2.883 7.082 -6.286 1.00 0.00 H new ATOM 0 HB2 SER A 94 -1.795 5.767 -8.226 1.00 0.00 H new ATOM 0 HB3 SER A 94 -2.305 7.426 -8.466 1.00 0.00 H new ATOM 0 HG SER A 94 -0.197 7.024 -9.321 1.00 0.00 H new ATOM 1401 N VAL A 95 -2.211 4.793 -5.369 1.00 0.00 N ATOM 1402 CA VAL A 95 -1.876 3.468 -4.915 1.00 0.00 C ATOM 1403 C VAL A 95 -2.935 2.545 -5.500 1.00 0.00 C ATOM 1404 O VAL A 95 -4.071 2.979 -5.731 1.00 0.00 O ATOM 1405 CB VAL A 95 -1.831 3.462 -3.375 1.00 0.00 C ATOM 1406 CG1 VAL A 95 -3.214 3.545 -2.709 1.00 0.00 C ATOM 1407 CG2 VAL A 95 -1.124 2.219 -2.858 1.00 0.00 C ATOM 0 H VAL A 95 -3.216 4.950 -5.443 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.893 3.130 -5.243 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.280 4.364 -3.106 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.097 3.536 -1.625 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.709 4.467 -3.013 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.818 2.691 -3.016 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.105 2.238 -1.768 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.657 1.330 -3.196 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.103 2.197 -3.238 1.00 0.00 H new ATOM 1417 N THR A 96 -2.571 1.285 -5.692 1.00 0.00 N ATOM 1418 CA THR A 96 -3.420 0.268 -6.258 1.00 0.00 C ATOM 1419 C THR A 96 -3.434 -0.891 -5.269 1.00 0.00 C ATOM 1420 O THR A 96 -2.398 -1.509 -5.033 1.00 0.00 O ATOM 1421 CB THR A 96 -2.910 -0.125 -7.656 1.00 0.00 C ATOM 1422 OG1 THR A 96 -2.233 0.946 -8.299 1.00 0.00 O ATOM 1423 CG2 THR A 96 -4.104 -0.544 -8.502 1.00 0.00 C ATOM 0 H THR A 96 -1.643 0.940 -5.447 1.00 0.00 H new ATOM 0 HA THR A 96 -4.442 0.616 -6.408 1.00 0.00 H new ATOM 0 HB THR A 96 -2.198 -0.943 -7.545 1.00 0.00 H new ATOM 0 HG1 THR A 96 -1.348 1.064 -7.894 1.00 0.00 H new ATOM 0 HG21 THR A 96 -3.763 -0.827 -9.498 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.601 -1.394 -8.034 1.00 0.00 H new ATOM 0 HG23 THR A 96 -4.804 0.288 -8.581 1.00 0.00 H new ATOM 1431 N LEU A 97 -4.566 -1.165 -4.623 1.00 0.00 N ATOM 1432 CA LEU A 97 -4.692 -2.344 -3.773 1.00 0.00 C ATOM 1433 C LEU A 97 -5.208 -3.462 -4.668 1.00 0.00 C ATOM 1434 O LEU A 97 -6.323 -3.372 -5.183 1.00 0.00 O ATOM 1435 CB LEU A 97 -5.618 -2.083 -2.574 1.00 0.00 C ATOM 1436 CG LEU A 97 -4.989 -1.126 -1.545 1.00 0.00 C ATOM 1437 CD1 LEU A 97 -6.059 -0.269 -0.859 1.00 0.00 C ATOM 1438 CD2 LEU A 97 -4.210 -1.935 -0.501 1.00 0.00 C ATOM 0 H LEU A 97 -5.406 -0.588 -4.673 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.732 -2.617 -3.335 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -6.559 -1.663 -2.930 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -5.855 -3.030 -2.088 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.308 -0.455 -2.068 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -5.585 0.397 -0.138 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -6.586 0.323 -1.607 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -6.768 -0.916 -0.343 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.765 -1.257 0.227 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.888 -2.620 0.008 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -3.423 -2.504 -0.995 1.00 0.00 H new ATOM 1450 N ARG A 98 -4.392 -4.500 -4.875 1.00 0.00 N ATOM 1451 CA ARG A 98 -4.888 -5.757 -5.428 1.00 0.00 C ATOM 1452 C ARG A 98 -5.703 -6.366 -4.293 1.00 0.00 C ATOM 1453 O ARG A 98 -5.156 -6.582 -3.206 1.00 0.00 O ATOM 1454 CB ARG A 98 -3.723 -6.687 -5.843 1.00 0.00 C ATOM 1455 CG ARG A 98 -4.175 -7.951 -6.602 1.00 0.00 C ATOM 1456 CD ARG A 98 -3.051 -8.842 -7.191 1.00 0.00 C ATOM 1457 NE ARG A 98 -2.271 -9.634 -6.202 1.00 0.00 N ATOM 1458 CZ ARG A 98 -1.985 -10.955 -6.244 1.00 0.00 C ATOM 1459 NH1 ARG A 98 -2.479 -11.766 -7.174 1.00 0.00 N ATOM 1460 NH2 ARG A 98 -1.193 -11.508 -5.331 1.00 0.00 N ATOM 0 H ARG A 98 -3.393 -4.492 -4.669 1.00 0.00 H new ATOM 0 HA ARG A 98 -5.478 -5.609 -6.332 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -3.029 -6.127 -6.470 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -3.175 -6.987 -4.950 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -4.774 -8.560 -5.925 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -4.830 -7.644 -7.418 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -3.497 -9.530 -7.909 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -2.361 -8.206 -7.745 1.00 0.00 H new ATOM 0 HE ARG A 98 -1.910 -9.120 -5.398 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -3.101 -11.398 -7.894 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -2.237 -12.757 -7.168 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -0.793 -10.935 -4.588 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -0.985 -12.506 -5.373 1.00 0.00 H new ATOM 1474 N ILE A 99 -6.986 -6.623 -4.509 1.00 0.00 N ATOM 1475 CA ILE A 99 -7.876 -7.291 -3.567 1.00 0.00 C ATOM 1476 C ILE A 99 -8.574 -8.448 -4.298 1.00 0.00 C ATOM 1477 O ILE A 99 -8.253 -8.718 -5.460 1.00 0.00 O ATOM 1478 CB ILE A 99 -8.766 -6.297 -2.807 1.00 0.00 C ATOM 1479 CG1 ILE A 99 -9.912 -5.738 -3.650 1.00 0.00 C ATOM 1480 CG2 ILE A 99 -7.970 -5.128 -2.190 1.00 0.00 C ATOM 1481 CD1 ILE A 99 -11.123 -5.583 -2.755 1.00 0.00 C ATOM 0 H ILE A 99 -7.454 -6.363 -5.377 1.00 0.00 H new ATOM 0 HA ILE A 99 -7.323 -7.751 -2.748 1.00 0.00 H new ATOM 0 HB ILE A 99 -9.197 -6.890 -2.001 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -9.633 -4.777 -4.082 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -10.136 -6.408 -4.480 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -8.653 -4.459 -1.666 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -7.235 -5.519 -1.487 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -7.459 -4.578 -2.981 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -11.956 -5.185 -3.335 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -11.399 -6.554 -2.344 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -10.888 -4.898 -1.940 1.00 0.00 H new ATOM 1493 N ILE A 100 -9.436 -9.185 -3.598 1.00 0.00 N ATOM 1494 CA ILE A 100 -10.344 -10.177 -4.173 1.00 0.00 C ATOM 1495 C ILE A 100 -11.745 -9.560 -4.311 1.00 0.00 C ATOM 1496 O ILE A 100 -12.291 -9.598 -5.413 1.00 0.00 O ATOM 1497 CB ILE A 100 -10.317 -11.494 -3.353 1.00 0.00 C ATOM 1498 CG1 ILE A 100 -8.915 -12.106 -3.467 1.00 0.00 C ATOM 1499 CG2 ILE A 100 -11.427 -12.457 -3.804 1.00 0.00 C ATOM 1500 CD1 ILE A 100 -8.740 -13.467 -2.791 1.00 0.00 C ATOM 0 H ILE A 100 -9.524 -9.106 -2.585 1.00 0.00 H new ATOM 0 HA ILE A 100 -10.015 -10.455 -5.174 1.00 0.00 H new ATOM 0 HB ILE A 100 -10.521 -11.287 -2.303 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -8.666 -12.208 -4.523 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.196 -11.409 -3.036 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -11.380 -13.370 -3.210 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -12.399 -11.983 -3.665 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -11.290 -12.702 -4.857 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -7.716 -13.813 -2.929 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -8.951 -13.374 -1.726 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -9.428 -14.185 -3.236 1.00 0.00 H new