USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 750 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 28 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 111 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 37 THR OG1 : rot 180:sc= -0.616 USER MOD Set 2.2: A 77 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 30 SER OG : rot 102:sc= -0.353 USER MOD Set 3.2: A 33 SER OG : rot -150:sc= 0.205 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.853 K(o=-0.85,f=-8.6!) USER MOD Single : A 49 GLN : amide:sc= -0.225 X(o=-0.22,f=-0.43) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -169:sc= 0.0578 (180deg=0.0372) USER MOD Single : A 57 LYS NZ :NH3+ 143:sc= -1.19 (180deg=-2.82!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.054 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= -0.699 USER MOD Single : A 89 TYR OH : rot -148:sc= -0.629 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -6.35! C(o=-6.3!,f=-21!) USER MOD Single : A 98 MET CE :methyl -165:sc=-0.00053 (180deg=-0.292) USER MOD Single : A 102 SER OG : rot 80:sc= 0.911 USER MOD Single : A 105 SER OG : rot 90:sc= 0.981 USER MOD Single : A 108 SER OG : rot 90:sc= 0.087 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 169 N LEU A 15 -20.456 -13.088 -2.532 1.00 0.00 N ATOM 170 CA LEU A 15 -19.099 -12.937 -2.019 1.00 0.00 C ATOM 171 C LEU A 15 -18.854 -11.511 -1.539 1.00 0.00 C ATOM 172 O LEU A 15 -19.766 -10.684 -1.526 1.00 0.00 O ATOM 173 CB LEU A 15 -18.081 -13.305 -3.100 1.00 0.00 C ATOM 174 CG LEU A 15 -17.802 -14.799 -3.278 1.00 0.00 C ATOM 175 CD1 LEU A 15 -17.197 -15.069 -4.646 1.00 0.00 C ATOM 176 CD2 LEU A 15 -16.882 -15.304 -2.176 1.00 0.00 C ATOM 0 HA LEU A 15 -18.980 -13.611 -1.171 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -18.431 -12.905 -4.052 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -17.140 -12.805 -2.870 1.00 0.00 H new ATOM 0 HG LEU A 15 -18.747 -15.337 -3.209 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -17.005 -16.136 -4.755 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -17.891 -14.744 -5.421 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -16.260 -14.520 -4.744 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -16.694 -16.368 -2.318 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -15.938 -14.761 -2.213 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -17.354 -15.145 -1.207 1.00 0.00 H new ATOM 188 N SER A 16 -17.616 -11.228 -1.147 1.00 0.00 N ATOM 189 CA SER A 16 -17.250 -9.901 -0.665 1.00 0.00 C ATOM 190 C SER A 16 -15.857 -9.512 -1.150 1.00 0.00 C ATOM 191 O SER A 16 -15.045 -10.355 -1.530 1.00 0.00 O ATOM 192 CB SER A 16 -17.301 -9.860 0.864 1.00 0.00 C ATOM 193 OG SER A 16 -16.939 -11.112 1.421 1.00 0.00 O ATOM 0 H SER A 16 -16.849 -11.900 -1.154 1.00 0.00 H new ATOM 0 HA SER A 16 -17.967 -9.185 -1.065 1.00 0.00 H new ATOM 0 HB2 SER A 16 -16.628 -9.086 1.233 1.00 0.00 H new ATOM 0 HB3 SER A 16 -18.305 -9.590 1.190 1.00 0.00 H new ATOM 0 HG SER A 16 -16.978 -11.059 2.399 1.00 0.00 H new ATOM 199 N PRO A 17 -15.573 -8.201 -1.138 1.00 0.00 N ATOM 200 CA PRO A 17 -14.279 -7.667 -1.573 1.00 0.00 C ATOM 201 C PRO A 17 -13.153 -8.020 -0.607 1.00 0.00 C ATOM 202 O PRO A 17 -13.381 -8.506 0.500 1.00 0.00 O ATOM 203 CB PRO A 17 -14.509 -6.154 -1.596 1.00 0.00 C ATOM 204 CG PRO A 17 -15.611 -5.923 -0.621 1.00 0.00 C ATOM 205 CD PRO A 17 -16.494 -7.138 -0.699 1.00 0.00 C ATOM 0 HA PRO A 17 -13.970 -8.079 -2.533 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -13.607 -5.612 -1.310 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -14.784 -5.811 -2.593 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -15.219 -5.790 0.387 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -16.168 -5.019 -0.868 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -16.945 -7.370 0.266 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -17.311 -6.996 -1.407 1.00 0.00 H new ATOM 213 N PRO A 18 -11.906 -7.769 -1.034 1.00 0.00 N ATOM 214 CA PRO A 18 -10.719 -8.052 -0.222 1.00 0.00 C ATOM 215 C PRO A 18 -10.601 -7.117 0.978 1.00 0.00 C ATOM 216 O PRO A 18 -11.161 -6.021 0.979 1.00 0.00 O ATOM 217 CB PRO A 18 -9.560 -7.821 -1.195 1.00 0.00 C ATOM 218 CG PRO A 18 -10.097 -6.867 -2.204 1.00 0.00 C ATOM 219 CD PRO A 18 -11.559 -7.189 -2.343 1.00 0.00 C ATOM 0 HA PRO A 18 -10.745 -9.056 0.201 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.690 -7.408 -0.684 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.243 -8.754 -1.662 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -9.954 -5.836 -1.881 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -9.581 -6.977 -3.158 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -12.148 -6.297 -2.557 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -11.740 -7.893 -3.155 1.00 0.00 H new ATOM 227 N GLU A 19 -9.870 -7.558 1.997 1.00 0.00 N ATOM 228 CA GLU A 19 -9.681 -6.760 3.202 1.00 0.00 C ATOM 229 C GLU A 19 -8.334 -6.042 3.172 1.00 0.00 C ATOM 230 O GLU A 19 -7.448 -6.395 2.395 1.00 0.00 O ATOM 231 CB GLU A 19 -9.772 -7.645 4.446 1.00 0.00 C ATOM 232 CG GLU A 19 -8.463 -8.326 4.806 1.00 0.00 C ATOM 233 CD GLU A 19 -8.595 -9.250 6.001 1.00 0.00 C ATOM 234 OE1 GLU A 19 -8.487 -8.761 7.145 1.00 0.00 O ATOM 235 OE2 GLU A 19 -8.805 -10.464 5.792 1.00 0.00 O ATOM 0 H GLU A 19 -9.399 -8.463 2.012 1.00 0.00 H new ATOM 0 HA GLU A 19 -10.472 -6.011 3.240 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.100 -7.038 5.290 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.535 -8.406 4.285 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.107 -8.896 3.948 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.710 -7.567 5.020 1.00 0.00 H new ATOM 242 N ALA A 20 -8.190 -5.032 4.025 1.00 0.00 N ATOM 243 CA ALA A 20 -6.953 -4.265 4.098 1.00 0.00 C ATOM 244 C ALA A 20 -5.766 -5.167 4.422 1.00 0.00 C ATOM 245 O ALA A 20 -5.742 -5.859 5.440 1.00 0.00 O ATOM 246 CB ALA A 20 -7.078 -3.160 5.137 1.00 0.00 C ATOM 0 H ALA A 20 -8.915 -4.727 4.675 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.776 -3.813 3.122 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.147 -2.595 5.181 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.895 -2.493 4.862 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.282 -3.600 6.113 1.00 0.00 H new ATOM 252 N PRO A 21 -4.759 -5.162 3.537 1.00 0.00 N ATOM 253 CA PRO A 21 -3.551 -5.975 3.708 1.00 0.00 C ATOM 254 C PRO A 21 -2.676 -5.479 4.854 1.00 0.00 C ATOM 255 O PRO A 21 -2.834 -4.353 5.325 1.00 0.00 O ATOM 256 CB PRO A 21 -2.823 -5.813 2.371 1.00 0.00 C ATOM 257 CG PRO A 21 -3.299 -4.507 1.836 1.00 0.00 C ATOM 258 CD PRO A 21 -4.721 -4.363 2.301 1.00 0.00 C ATOM 0 HA PRO A 21 -3.788 -7.009 3.958 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -1.741 -5.815 2.506 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.060 -6.630 1.690 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -2.683 -3.687 2.204 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -3.240 -4.486 0.748 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.979 -3.321 2.488 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -5.426 -4.737 1.559 1.00 0.00 H new ATOM 266 N ASP A 22 -1.754 -6.326 5.297 1.00 0.00 N ATOM 267 CA ASP A 22 -0.853 -5.973 6.387 1.00 0.00 C ATOM 268 C ASP A 22 -0.200 -4.618 6.136 1.00 0.00 C ATOM 269 O ASP A 22 -0.428 -3.990 5.101 1.00 0.00 O ATOM 270 CB ASP A 22 0.224 -7.047 6.556 1.00 0.00 C ATOM 271 CG ASP A 22 0.704 -7.165 7.989 1.00 0.00 C ATOM 272 OD1 ASP A 22 -0.047 -6.761 8.902 1.00 0.00 O ATOM 273 OD2 ASP A 22 1.831 -7.660 8.199 1.00 0.00 O ATOM 0 H ASP A 22 -1.611 -7.262 4.918 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.440 -5.910 7.303 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.171 -8.008 6.228 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.071 -6.813 5.910 1.00 0.00 H new ATOM 278 N ARG A 23 0.613 -4.172 7.088 1.00 0.00 N ATOM 279 CA ARG A 23 1.297 -2.889 6.971 1.00 0.00 C ATOM 280 C ARG A 23 2.573 -3.027 6.145 1.00 0.00 C ATOM 281 O ARG A 23 3.451 -3.837 6.443 1.00 0.00 O ATOM 282 CB ARG A 23 1.632 -2.337 8.356 1.00 0.00 C ATOM 283 CG ARG A 23 2.408 -1.030 8.320 1.00 0.00 C ATOM 284 CD ARG A 23 2.921 -0.649 9.700 1.00 0.00 C ATOM 285 NE ARG A 23 1.933 0.112 10.460 1.00 0.00 N ATOM 286 CZ ARG A 23 2.109 0.492 11.721 1.00 0.00 C ATOM 287 NH1 ARG A 23 3.228 0.182 12.360 1.00 0.00 N ATOM 288 NH2 ARG A 23 1.163 1.182 12.345 1.00 0.00 N ATOM 0 H ARG A 23 0.814 -4.680 7.949 1.00 0.00 H new ATOM 0 HA ARG A 23 0.628 -2.194 6.463 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.706 -2.185 8.911 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.213 -3.080 8.903 1.00 0.00 H new ATOM 0 HG2 ARG A 23 3.248 -1.123 7.631 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.768 -0.236 7.937 1.00 0.00 H new ATOM 0 HD2 ARG A 23 3.185 -1.552 10.251 1.00 0.00 H new ATOM 0 HD3 ARG A 23 3.832 -0.060 9.598 1.00 0.00 H new ATOM 0 HE ARG A 23 1.060 0.366 9.997 1.00 0.00 H new ATOM 0 HH11 ARG A 23 3.957 -0.350 11.884 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.360 0.475 13.328 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.300 1.421 11.857 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.299 1.473 13.313 1.00 0.00 H new ATOM 302 N PRO A 24 2.679 -2.219 5.080 1.00 0.00 N ATOM 303 CA PRO A 24 3.844 -2.232 4.189 1.00 0.00 C ATOM 304 C PRO A 24 5.094 -1.673 4.861 1.00 0.00 C ATOM 305 O PRO A 24 5.012 -0.777 5.701 1.00 0.00 O ATOM 306 CB PRO A 24 3.413 -1.331 3.028 1.00 0.00 C ATOM 307 CG PRO A 24 2.387 -0.423 3.614 1.00 0.00 C ATOM 308 CD PRO A 24 1.672 -1.229 4.664 1.00 0.00 C ATOM 0 HA PRO A 24 4.113 -3.244 3.885 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.257 -0.769 2.628 1.00 0.00 H new ATOM 0 HB3 PRO A 24 3.001 -1.915 2.205 1.00 0.00 H new ATOM 0 HG2 PRO A 24 2.852 0.461 4.050 1.00 0.00 H new ATOM 0 HG3 PRO A 24 1.693 -0.074 2.850 1.00 0.00 H new ATOM 0 HD2 PRO A 24 1.352 -0.606 5.499 1.00 0.00 H new ATOM 0 HD3 PRO A 24 0.779 -1.709 4.263 1.00 0.00 H new ATOM 316 N THR A 25 6.251 -2.209 4.485 1.00 0.00 N ATOM 317 CA THR A 25 7.518 -1.766 5.051 1.00 0.00 C ATOM 318 C THR A 25 8.228 -0.793 4.116 1.00 0.00 C ATOM 319 O THR A 25 7.886 -0.689 2.938 1.00 0.00 O ATOM 320 CB THR A 25 8.452 -2.956 5.340 1.00 0.00 C ATOM 321 OG1 THR A 25 9.486 -2.558 6.248 1.00 0.00 O ATOM 322 CG2 THR A 25 9.073 -3.482 4.056 1.00 0.00 C ATOM 0 H THR A 25 6.336 -2.951 3.790 1.00 0.00 H new ATOM 0 HA THR A 25 7.285 -1.261 5.988 1.00 0.00 H new ATOM 0 HB THR A 25 7.860 -3.752 5.790 1.00 0.00 H new ATOM 0 HG1 THR A 25 10.075 -3.321 6.428 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.728 -4.322 4.286 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.285 -3.812 3.379 1.00 0.00 H new ATOM 0 HG23 THR A 25 9.652 -2.690 3.581 1.00 0.00 H new ATOM 330 N ILE A 26 9.217 -0.084 4.648 1.00 0.00 N ATOM 331 CA ILE A 26 9.976 0.880 3.859 1.00 0.00 C ATOM 332 C ILE A 26 11.465 0.553 3.877 1.00 0.00 C ATOM 333 O ILE A 26 12.100 0.556 4.932 1.00 0.00 O ATOM 334 CB ILE A 26 9.771 2.316 4.376 1.00 0.00 C ATOM 335 CG1 ILE A 26 8.298 2.554 4.715 1.00 0.00 C ATOM 336 CG2 ILE A 26 10.251 3.324 3.341 1.00 0.00 C ATOM 337 CD1 ILE A 26 7.351 2.163 3.604 1.00 0.00 C ATOM 0 H ILE A 26 9.512 -0.158 5.622 1.00 0.00 H new ATOM 0 HA ILE A 26 9.604 0.814 2.837 1.00 0.00 H new ATOM 0 HB ILE A 26 10.359 2.447 5.284 1.00 0.00 H new ATOM 0 HG12 ILE A 26 8.045 1.990 5.613 1.00 0.00 H new ATOM 0 HG13 ILE A 26 8.154 3.609 4.950 1.00 0.00 H new ATOM 0 HG21 ILE A 26 10.100 4.335 3.720 1.00 0.00 H new ATOM 0 HG22 ILE A 26 11.311 3.165 3.143 1.00 0.00 H new ATOM 0 HG23 ILE A 26 9.686 3.195 2.418 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.325 2.359 3.915 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.578 2.746 2.711 1.00 0.00 H new ATOM 0 HD13 ILE A 26 7.467 1.102 3.384 1.00 0.00 H new ATOM 349 N SER A 27 12.018 0.272 2.701 1.00 0.00 N ATOM 350 CA SER A 27 13.432 -0.060 2.582 1.00 0.00 C ATOM 351 C SER A 27 14.140 0.910 1.640 1.00 0.00 C ATOM 352 O SER A 27 13.498 1.649 0.893 1.00 0.00 O ATOM 353 CB SER A 27 13.601 -1.493 2.074 1.00 0.00 C ATOM 354 OG SER A 27 13.569 -2.420 3.146 1.00 0.00 O ATOM 0 H SER A 27 11.508 0.268 1.818 1.00 0.00 H new ATOM 0 HA SER A 27 13.883 0.024 3.571 1.00 0.00 H new ATOM 0 HB2 SER A 27 12.808 -1.726 1.363 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.546 -1.584 1.539 1.00 0.00 H new ATOM 0 HG SER A 27 13.677 -3.329 2.796 1.00 0.00 H new ATOM 360 N THR A 28 15.469 0.904 1.682 1.00 0.00 N ATOM 361 CA THR A 28 16.265 1.783 0.835 1.00 0.00 C ATOM 362 C THR A 28 16.448 1.188 -0.556 1.00 0.00 C ATOM 363 O THR A 28 17.232 0.259 -0.746 1.00 0.00 O ATOM 364 CB THR A 28 17.650 2.054 1.452 1.00 0.00 C ATOM 365 OG1 THR A 28 17.515 2.348 2.847 1.00 0.00 O ATOM 366 CG2 THR A 28 18.338 3.214 0.748 1.00 0.00 C ATOM 0 H THR A 28 16.017 0.299 2.294 1.00 0.00 H new ATOM 0 HA THR A 28 15.721 2.724 0.756 1.00 0.00 H new ATOM 0 HB THR A 28 18.261 1.160 1.327 1.00 0.00 H new ATOM 0 HG1 THR A 28 18.400 2.517 3.233 1.00 0.00 H new ATOM 0 HG21 THR A 28 19.314 3.387 1.201 1.00 0.00 H new ATOM 0 HG22 THR A 28 18.465 2.975 -0.308 1.00 0.00 H new ATOM 0 HG23 THR A 28 17.728 4.112 0.846 1.00 0.00 H new ATOM 374 N ALA A 29 15.721 1.731 -1.527 1.00 0.00 N ATOM 375 CA ALA A 29 15.805 1.255 -2.902 1.00 0.00 C ATOM 376 C ALA A 29 16.521 2.268 -3.790 1.00 0.00 C ATOM 377 O ALA A 29 17.284 1.897 -4.682 1.00 0.00 O ATOM 378 CB ALA A 29 14.415 0.962 -3.446 1.00 0.00 C ATOM 0 H ALA A 29 15.067 2.501 -1.387 1.00 0.00 H new ATOM 0 HA ALA A 29 16.385 0.332 -2.906 1.00 0.00 H new ATOM 0 HB1 ALA A 29 14.494 0.607 -4.474 1.00 0.00 H new ATOM 0 HB2 ALA A 29 13.938 0.197 -2.834 1.00 0.00 H new ATOM 0 HB3 ALA A 29 13.815 1.872 -3.421 1.00 0.00 H new ATOM 384 N SER A 30 16.266 3.549 -3.542 1.00 0.00 N ATOM 385 CA SER A 30 16.883 4.615 -4.322 1.00 0.00 C ATOM 386 C SER A 30 16.702 5.965 -3.635 1.00 0.00 C ATOM 387 O SER A 30 16.035 6.064 -2.605 1.00 0.00 O ATOM 388 CB SER A 30 16.279 4.661 -5.728 1.00 0.00 C ATOM 389 OG SER A 30 15.971 3.358 -6.193 1.00 0.00 O ATOM 0 H SER A 30 15.637 3.873 -2.808 1.00 0.00 H new ATOM 0 HA SER A 30 17.950 4.406 -4.398 1.00 0.00 H new ATOM 0 HB2 SER A 30 15.375 5.271 -5.719 1.00 0.00 H new ATOM 0 HB3 SER A 30 16.979 5.139 -6.413 1.00 0.00 H new ATOM 0 HG SER A 30 15.008 3.197 -6.103 1.00 0.00 H new ATOM 395 N GLU A 31 17.302 7.002 -4.213 1.00 0.00 N ATOM 396 CA GLU A 31 17.207 8.346 -3.655 1.00 0.00 C ATOM 397 C GLU A 31 15.877 8.995 -4.023 1.00 0.00 C ATOM 398 O GLU A 31 15.466 9.985 -3.416 1.00 0.00 O ATOM 399 CB GLU A 31 18.366 9.211 -4.155 1.00 0.00 C ATOM 400 CG GLU A 31 18.227 9.633 -5.608 1.00 0.00 C ATOM 401 CD GLU A 31 18.729 8.576 -6.573 1.00 0.00 C ATOM 402 OE1 GLU A 31 18.034 7.554 -6.748 1.00 0.00 O ATOM 403 OE2 GLU A 31 19.818 8.772 -7.153 1.00 0.00 O ATOM 0 H GLU A 31 17.858 6.937 -5.066 1.00 0.00 H new ATOM 0 HA GLU A 31 17.264 8.267 -2.569 1.00 0.00 H new ATOM 0 HB2 GLU A 31 18.438 10.102 -3.532 1.00 0.00 H new ATOM 0 HB3 GLU A 31 19.299 8.660 -4.033 1.00 0.00 H new ATOM 0 HG2 GLU A 31 17.180 9.847 -5.822 1.00 0.00 H new ATOM 0 HG3 GLU A 31 18.780 10.558 -5.768 1.00 0.00 H new ATOM 410 N THR A 32 15.206 8.432 -5.023 1.00 0.00 N ATOM 411 CA THR A 32 13.924 8.956 -5.475 1.00 0.00 C ATOM 412 C THR A 32 12.818 7.919 -5.313 1.00 0.00 C ATOM 413 O THR A 32 11.642 8.212 -5.532 1.00 0.00 O ATOM 414 CB THR A 32 13.984 9.399 -6.949 1.00 0.00 C ATOM 415 OG1 THR A 32 14.668 8.412 -7.729 1.00 0.00 O ATOM 416 CG2 THR A 32 14.693 10.739 -7.082 1.00 0.00 C ATOM 0 H THR A 32 15.530 7.612 -5.536 1.00 0.00 H new ATOM 0 HA THR A 32 13.701 9.822 -4.852 1.00 0.00 H new ATOM 0 HB THR A 32 12.963 9.508 -7.316 1.00 0.00 H new ATOM 0 HG1 THR A 32 14.701 8.700 -8.665 1.00 0.00 H new ATOM 0 HG21 THR A 32 14.724 11.032 -8.131 1.00 0.00 H new ATOM 0 HG22 THR A 32 14.154 11.494 -6.510 1.00 0.00 H new ATOM 0 HG23 THR A 32 15.710 10.652 -6.700 1.00 0.00 H new ATOM 424 N SER A 33 13.202 6.705 -4.929 1.00 0.00 N ATOM 425 CA SER A 33 12.243 5.624 -4.741 1.00 0.00 C ATOM 426 C SER A 33 12.573 4.816 -3.490 1.00 0.00 C ATOM 427 O SER A 33 13.618 5.012 -2.869 1.00 0.00 O ATOM 428 CB SER A 33 12.232 4.706 -5.965 1.00 0.00 C ATOM 429 OG SER A 33 13.472 4.038 -6.114 1.00 0.00 O ATOM 0 H SER A 33 14.171 6.446 -4.742 1.00 0.00 H new ATOM 0 HA SER A 33 11.254 6.066 -4.617 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.431 3.974 -5.867 1.00 0.00 H new ATOM 0 HB3 SER A 33 12.021 5.291 -6.860 1.00 0.00 H new ATOM 0 HG SER A 33 13.636 3.861 -7.064 1.00 0.00 H new ATOM 435 N VAL A 34 11.674 3.908 -3.125 1.00 0.00 N ATOM 436 CA VAL A 34 11.868 3.069 -1.947 1.00 0.00 C ATOM 437 C VAL A 34 11.200 1.711 -2.124 1.00 0.00 C ATOM 438 O VAL A 34 10.145 1.604 -2.751 1.00 0.00 O ATOM 439 CB VAL A 34 11.311 3.743 -0.680 1.00 0.00 C ATOM 440 CG1 VAL A 34 12.094 5.007 -0.359 1.00 0.00 C ATOM 441 CG2 VAL A 34 9.830 4.052 -0.848 1.00 0.00 C ATOM 0 H VAL A 34 10.804 3.734 -3.628 1.00 0.00 H new ATOM 0 HA VAL A 34 12.943 2.929 -1.831 1.00 0.00 H new ATOM 0 HB VAL A 34 11.423 3.053 0.156 1.00 0.00 H new ATOM 0 HG11 VAL A 34 11.686 5.470 0.540 1.00 0.00 H new ATOM 0 HG12 VAL A 34 13.141 4.754 -0.193 1.00 0.00 H new ATOM 0 HG13 VAL A 34 12.017 5.704 -1.193 1.00 0.00 H new ATOM 0 HG21 VAL A 34 9.453 4.528 0.057 1.00 0.00 H new ATOM 0 HG22 VAL A 34 9.692 4.723 -1.696 1.00 0.00 H new ATOM 0 HG23 VAL A 34 9.283 3.126 -1.026 1.00 0.00 H new ATOM 451 N TYR A 35 11.818 0.676 -1.567 1.00 0.00 N ATOM 452 CA TYR A 35 11.283 -0.676 -1.664 1.00 0.00 C ATOM 453 C TYR A 35 10.192 -0.907 -0.622 1.00 0.00 C ATOM 454 O TYR A 35 10.451 -0.886 0.580 1.00 0.00 O ATOM 455 CB TYR A 35 12.401 -1.704 -1.483 1.00 0.00 C ATOM 456 CG TYR A 35 13.265 -1.882 -2.712 1.00 0.00 C ATOM 457 CD1 TYR A 35 12.696 -2.129 -3.955 1.00 0.00 C ATOM 458 CD2 TYR A 35 14.649 -1.801 -2.630 1.00 0.00 C ATOM 459 CE1 TYR A 35 13.481 -2.293 -5.079 1.00 0.00 C ATOM 460 CE2 TYR A 35 15.442 -1.963 -3.749 1.00 0.00 C ATOM 461 CZ TYR A 35 14.853 -2.209 -4.972 1.00 0.00 C ATOM 462 OH TYR A 35 15.638 -2.371 -6.091 1.00 0.00 O ATOM 0 H TYR A 35 12.690 0.748 -1.043 1.00 0.00 H new ATOM 0 HA TYR A 35 10.845 -0.795 -2.655 1.00 0.00 H new ATOM 0 HB2 TYR A 35 13.031 -1.400 -0.647 1.00 0.00 H new ATOM 0 HB3 TYR A 35 11.960 -2.665 -1.217 1.00 0.00 H new ATOM 0 HD1 TYR A 35 11.622 -2.194 -4.044 1.00 0.00 H new ATOM 0 HD2 TYR A 35 15.113 -1.608 -1.674 1.00 0.00 H new ATOM 0 HE1 TYR A 35 13.022 -2.486 -6.038 1.00 0.00 H new ATOM 0 HE2 TYR A 35 16.517 -1.897 -3.667 1.00 0.00 H new ATOM 0 HH TYR A 35 16.582 -2.281 -5.844 1.00 0.00 H new ATOM 472 N VAL A 36 8.969 -1.129 -1.095 1.00 0.00 N ATOM 473 CA VAL A 36 7.838 -1.367 -0.206 1.00 0.00 C ATOM 474 C VAL A 36 7.383 -2.820 -0.272 1.00 0.00 C ATOM 475 O VAL A 36 7.120 -3.353 -1.351 1.00 0.00 O ATOM 476 CB VAL A 36 6.649 -0.452 -0.555 1.00 0.00 C ATOM 477 CG1 VAL A 36 5.448 -0.779 0.319 1.00 0.00 C ATOM 478 CG2 VAL A 36 7.042 1.010 -0.410 1.00 0.00 C ATOM 0 H VAL A 36 8.737 -1.149 -2.088 1.00 0.00 H new ATOM 0 HA VAL A 36 8.177 -1.141 0.805 1.00 0.00 H new ATOM 0 HB VAL A 36 6.370 -0.628 -1.594 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.618 -0.122 0.058 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.154 -1.816 0.160 1.00 0.00 H new ATOM 0 HG13 VAL A 36 5.710 -0.633 1.367 1.00 0.00 H new ATOM 0 HG21 VAL A 36 6.190 1.642 -0.660 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.348 1.204 0.618 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.870 1.233 -1.083 1.00 0.00 H new ATOM 488 N THR A 37 7.290 -3.459 0.891 1.00 0.00 N ATOM 489 CA THR A 37 6.868 -4.852 0.966 1.00 0.00 C ATOM 490 C THR A 37 5.690 -5.017 1.920 1.00 0.00 C ATOM 491 O THR A 37 5.783 -4.678 3.099 1.00 0.00 O ATOM 492 CB THR A 37 8.020 -5.764 1.427 1.00 0.00 C ATOM 493 OG1 THR A 37 9.151 -5.598 0.565 1.00 0.00 O ATOM 494 CG2 THR A 37 7.588 -7.223 1.428 1.00 0.00 C ATOM 0 H THR A 37 7.501 -3.033 1.793 1.00 0.00 H new ATOM 0 HA THR A 37 6.563 -5.146 -0.038 1.00 0.00 H new ATOM 0 HB THR A 37 8.293 -5.481 2.444 1.00 0.00 H new ATOM 0 HG1 THR A 37 9.880 -6.180 0.866 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.418 -7.848 1.757 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.745 -7.352 2.107 1.00 0.00 H new ATOM 0 HG23 THR A 37 7.291 -7.515 0.421 1.00 0.00 H new ATOM 502 N TRP A 38 4.586 -5.542 1.403 1.00 0.00 N ATOM 503 CA TRP A 38 3.390 -5.754 2.211 1.00 0.00 C ATOM 504 C TRP A 38 2.985 -7.224 2.210 1.00 0.00 C ATOM 505 O TRP A 38 3.537 -8.028 1.458 1.00 0.00 O ATOM 506 CB TRP A 38 2.237 -4.896 1.687 1.00 0.00 C ATOM 507 CG TRP A 38 1.774 -5.294 0.319 1.00 0.00 C ATOM 508 CD1 TRP A 38 0.684 -6.060 0.013 1.00 0.00 C ATOM 509 CD2 TRP A 38 2.385 -4.947 -0.928 1.00 0.00 C ATOM 510 NE1 TRP A 38 0.583 -6.212 -1.349 1.00 0.00 N ATOM 511 CE2 TRP A 38 1.614 -5.538 -1.949 1.00 0.00 C ATOM 512 CE3 TRP A 38 3.509 -4.196 -1.282 1.00 0.00 C ATOM 513 CZ2 TRP A 38 1.933 -5.399 -3.297 1.00 0.00 C ATOM 514 CZ3 TRP A 38 3.824 -4.059 -2.621 1.00 0.00 C ATOM 515 CH2 TRP A 38 3.039 -4.656 -3.615 1.00 0.00 C ATOM 0 H TRP A 38 4.493 -5.829 0.429 1.00 0.00 H new ATOM 0 HA TRP A 38 3.618 -5.459 3.235 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.399 -4.964 2.380 1.00 0.00 H new ATOM 0 HB3 TRP A 38 2.550 -3.852 1.667 1.00 0.00 H new ATOM 0 HD1 TRP A 38 0.002 -6.484 0.736 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -0.142 -6.741 -1.834 1.00 0.00 H new ATOM 0 HE3 TRP A 38 4.121 -3.731 -0.523 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 1.330 -5.861 -4.065 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 4.691 -3.481 -2.906 1.00 0.00 H new ATOM 0 HH2 TRP A 38 3.311 -4.528 -4.652 1.00 0.00 H new ATOM 526 N ILE A 39 2.021 -7.568 3.057 1.00 0.00 N ATOM 527 CA ILE A 39 1.544 -8.943 3.151 1.00 0.00 C ATOM 528 C ILE A 39 0.020 -8.993 3.194 1.00 0.00 C ATOM 529 O ILE A 39 -0.609 -8.649 4.194 1.00 0.00 O ATOM 530 CB ILE A 39 2.104 -9.648 4.400 1.00 0.00 C ATOM 531 CG1 ILE A 39 3.626 -9.493 4.460 1.00 0.00 C ATOM 532 CG2 ILE A 39 1.716 -11.120 4.395 1.00 0.00 C ATOM 533 CD1 ILE A 39 4.362 -10.367 3.469 1.00 0.00 C ATOM 0 H ILE A 39 1.555 -6.915 3.687 1.00 0.00 H new ATOM 0 HA ILE A 39 1.898 -9.462 2.261 1.00 0.00 H new ATOM 0 HB ILE A 39 1.675 -9.182 5.287 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.884 -8.450 4.275 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.968 -9.732 5.467 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.119 -11.605 5.284 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.630 -11.210 4.393 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.121 -11.600 3.504 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.435 -10.205 3.568 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.133 -11.414 3.667 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.049 -10.113 2.457 1.00 0.00 H new ATOM 545 N PRO A 40 -0.589 -9.434 2.083 1.00 0.00 N ATOM 546 CA PRO A 40 -2.046 -9.543 1.969 1.00 0.00 C ATOM 547 C PRO A 40 -2.614 -10.658 2.841 1.00 0.00 C ATOM 548 O PRO A 40 -2.031 -11.737 2.943 1.00 0.00 O ATOM 549 CB PRO A 40 -2.263 -9.859 0.487 1.00 0.00 C ATOM 550 CG PRO A 40 -0.995 -10.506 0.049 1.00 0.00 C ATOM 551 CD PRO A 40 0.099 -9.861 0.853 1.00 0.00 C ATOM 0 HA PRO A 40 -2.550 -8.636 2.304 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -3.116 -10.522 0.344 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -2.464 -8.954 -0.086 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.025 -11.581 0.224 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.832 -10.361 -1.019 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.907 -10.561 1.067 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.541 -9.016 0.325 1.00 0.00 H new ATOM 559 N ARG A 41 -3.755 -10.390 3.468 1.00 0.00 N ATOM 560 CA ARG A 41 -4.401 -11.370 4.331 1.00 0.00 C ATOM 561 C ARG A 41 -5.595 -12.010 3.629 1.00 0.00 C ATOM 562 O ARG A 41 -5.557 -13.184 3.263 1.00 0.00 O ATOM 563 CB ARG A 41 -4.855 -10.712 5.636 1.00 0.00 C ATOM 564 CG ARG A 41 -3.895 -9.650 6.149 1.00 0.00 C ATOM 565 CD ARG A 41 -2.607 -10.268 6.667 1.00 0.00 C ATOM 566 NE ARG A 41 -2.013 -9.477 7.741 1.00 0.00 N ATOM 567 CZ ARG A 41 -2.535 -9.381 8.958 1.00 0.00 C ATOM 568 NH1 ARG A 41 -3.656 -10.026 9.256 1.00 0.00 N ATOM 569 NH2 ARG A 41 -1.937 -8.640 9.882 1.00 0.00 N ATOM 0 H ARG A 41 -4.251 -9.502 3.394 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.675 -12.150 4.559 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.835 -10.260 5.483 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.974 -11.481 6.399 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.666 -8.947 5.348 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -4.373 -9.080 6.946 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.809 -11.276 7.029 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.894 -10.360 5.848 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.150 -8.970 7.546 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -4.119 -10.597 8.549 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.055 -9.950 10.192 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.075 -8.143 9.658 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -2.339 -8.567 10.816 1.00 0.00 H new ATOM 583 N GLY A 42 -6.656 -11.230 3.445 1.00 0.00 N ATOM 584 CA GLY A 42 -7.846 -11.737 2.789 1.00 0.00 C ATOM 585 C GLY A 42 -8.009 -11.194 1.383 1.00 0.00 C ATOM 586 O GLY A 42 -7.438 -10.160 1.039 1.00 0.00 O ATOM 0 H GLY A 42 -6.712 -10.255 3.739 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.801 -12.825 2.752 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.723 -11.474 3.381 1.00 0.00 H new ATOM 590 N ASN A 43 -8.789 -11.895 0.567 1.00 0.00 N ATOM 591 CA ASN A 43 -9.024 -11.478 -0.812 1.00 0.00 C ATOM 592 C ASN A 43 -10.515 -11.301 -1.080 1.00 0.00 C ATOM 593 O ASN A 43 -10.926 -11.032 -2.208 1.00 0.00 O ATOM 594 CB ASN A 43 -8.437 -12.503 -1.783 1.00 0.00 C ATOM 595 CG ASN A 43 -9.015 -13.890 -1.579 1.00 0.00 C ATOM 596 OD1 ASN A 43 -9.751 -14.134 -0.622 1.00 0.00 O ATOM 597 ND2 ASN A 43 -8.685 -14.808 -2.481 1.00 0.00 N ATOM 0 H ASN A 43 -9.269 -12.754 0.836 1.00 0.00 H new ATOM 0 HA ASN A 43 -8.530 -10.519 -0.965 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.627 -12.180 -2.807 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -7.355 -12.541 -1.657 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -9.045 -15.759 -2.396 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -8.072 -14.562 -3.258 1.00 0.00 H new ATOM 604 N GLY A 44 -11.321 -11.454 -0.034 1.00 0.00 N ATOM 605 CA GLY A 44 -12.759 -11.308 -0.177 1.00 0.00 C ATOM 606 C GLY A 44 -13.421 -12.569 -0.693 1.00 0.00 C ATOM 607 O GLY A 44 -14.641 -12.620 -0.846 1.00 0.00 O ATOM 0 H GLY A 44 -11.005 -11.676 0.910 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -13.192 -11.043 0.788 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -12.971 -10.485 -0.859 1.00 0.00 H new ATOM 611 N GLY A 45 -12.615 -13.592 -0.963 1.00 0.00 N ATOM 612 CA GLY A 45 -13.149 -14.844 -1.463 1.00 0.00 C ATOM 613 C GLY A 45 -12.716 -15.132 -2.887 1.00 0.00 C ATOM 614 O GLY A 45 -12.693 -16.286 -3.316 1.00 0.00 O ATOM 0 H GLY A 45 -11.602 -13.575 -0.844 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -12.823 -15.658 -0.816 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -14.238 -14.815 -1.416 1.00 0.00 H new ATOM 618 N PHE A 46 -12.373 -14.079 -3.623 1.00 0.00 N ATOM 619 CA PHE A 46 -11.941 -14.224 -5.009 1.00 0.00 C ATOM 620 C PHE A 46 -10.452 -13.920 -5.149 1.00 0.00 C ATOM 621 O PHE A 46 -9.835 -13.302 -4.282 1.00 0.00 O ATOM 622 CB PHE A 46 -12.751 -13.295 -5.917 1.00 0.00 C ATOM 623 CG PHE A 46 -13.980 -13.940 -6.490 1.00 0.00 C ATOM 624 CD1 PHE A 46 -13.922 -15.213 -7.032 1.00 0.00 C ATOM 625 CD2 PHE A 46 -15.195 -13.272 -6.486 1.00 0.00 C ATOM 626 CE1 PHE A 46 -15.052 -15.809 -7.561 1.00 0.00 C ATOM 627 CE2 PHE A 46 -16.328 -13.862 -7.013 1.00 0.00 C ATOM 628 CZ PHE A 46 -16.256 -15.132 -7.551 1.00 0.00 C ATOM 0 H PHE A 46 -12.386 -13.117 -3.283 1.00 0.00 H new ATOM 0 HA PHE A 46 -12.113 -15.257 -5.311 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -13.045 -12.411 -5.350 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -12.115 -12.953 -6.734 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -12.983 -15.747 -7.042 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -15.257 -12.279 -6.066 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -14.993 -16.802 -7.981 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -17.268 -13.331 -7.004 1.00 0.00 H new ATOM 0 HZ PHE A 46 -17.140 -15.595 -7.963 1.00 0.00 H new ATOM 638 N PRO A 47 -9.861 -14.365 -6.268 1.00 0.00 N ATOM 639 CA PRO A 47 -8.439 -14.152 -6.550 1.00 0.00 C ATOM 640 C PRO A 47 -8.117 -12.692 -6.844 1.00 0.00 C ATOM 641 O PRO A 47 -8.574 -12.135 -7.843 1.00 0.00 O ATOM 642 CB PRO A 47 -8.190 -15.016 -7.789 1.00 0.00 C ATOM 643 CG PRO A 47 -9.520 -15.118 -8.452 1.00 0.00 C ATOM 644 CD PRO A 47 -10.537 -15.109 -7.344 1.00 0.00 C ATOM 0 HA PRO A 47 -7.811 -14.413 -5.698 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.453 -14.559 -8.449 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -7.807 -15.999 -7.516 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -9.680 -14.284 -9.136 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -9.593 -16.032 -9.041 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -11.462 -14.620 -7.651 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -10.799 -16.120 -7.031 1.00 0.00 H new ATOM 652 N ILE A 48 -7.330 -12.075 -5.969 1.00 0.00 N ATOM 653 CA ILE A 48 -6.948 -10.679 -6.137 1.00 0.00 C ATOM 654 C ILE A 48 -6.484 -10.404 -7.563 1.00 0.00 C ATOM 655 O ILE A 48 -5.672 -11.145 -8.116 1.00 0.00 O ATOM 656 CB ILE A 48 -5.826 -10.282 -5.160 1.00 0.00 C ATOM 657 CG1 ILE A 48 -6.347 -10.286 -3.721 1.00 0.00 C ATOM 658 CG2 ILE A 48 -5.267 -8.913 -5.523 1.00 0.00 C ATOM 659 CD1 ILE A 48 -5.273 -10.027 -2.688 1.00 0.00 C ATOM 0 H ILE A 48 -6.945 -12.520 -5.136 1.00 0.00 H new ATOM 0 HA ILE A 48 -7.834 -10.081 -5.924 1.00 0.00 H new ATOM 0 HB ILE A 48 -5.022 -11.014 -5.237 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -7.124 -9.528 -3.623 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -6.813 -11.249 -3.515 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.475 -8.646 -4.823 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.863 -8.942 -6.535 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.063 -8.170 -5.471 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.715 -10.044 -1.692 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.507 -10.799 -2.759 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.823 -9.051 -2.868 1.00 0.00 H new ATOM 671 N GLN A 49 -7.006 -9.333 -8.153 1.00 0.00 N ATOM 672 CA GLN A 49 -6.644 -8.960 -9.516 1.00 0.00 C ATOM 673 C GLN A 49 -5.370 -8.121 -9.530 1.00 0.00 C ATOM 674 O GLN A 49 -4.434 -8.410 -10.276 1.00 0.00 O ATOM 675 CB GLN A 49 -7.786 -8.184 -10.175 1.00 0.00 C ATOM 676 CG GLN A 49 -9.031 -9.023 -10.416 1.00 0.00 C ATOM 677 CD GLN A 49 -10.016 -8.350 -11.352 1.00 0.00 C ATOM 678 OE1 GLN A 49 -10.032 -7.125 -11.478 1.00 0.00 O ATOM 679 NE2 GLN A 49 -10.843 -9.150 -12.014 1.00 0.00 N ATOM 0 H GLN A 49 -7.680 -8.709 -7.709 1.00 0.00 H new ATOM 0 HA GLN A 49 -6.462 -9.875 -10.080 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -8.047 -7.333 -9.545 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -7.439 -7.781 -11.127 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.740 -9.987 -10.833 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -9.520 -9.223 -9.463 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -10.794 -10.160 -11.878 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -11.528 -8.755 -12.659 1.00 0.00 H new ATOM 688 N SER A 50 -5.341 -7.082 -8.702 1.00 0.00 N ATOM 689 CA SER A 50 -4.183 -6.199 -8.623 1.00 0.00 C ATOM 690 C SER A 50 -4.177 -5.428 -7.307 1.00 0.00 C ATOM 691 O SER A 50 -5.194 -5.345 -6.618 1.00 0.00 O ATOM 692 CB SER A 50 -4.179 -5.222 -9.800 1.00 0.00 C ATOM 693 OG SER A 50 -5.132 -4.191 -9.610 1.00 0.00 O ATOM 0 H SER A 50 -6.106 -6.831 -8.076 1.00 0.00 H new ATOM 0 HA SER A 50 -3.284 -6.814 -8.668 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.186 -4.787 -9.912 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.398 -5.759 -10.723 1.00 0.00 H new ATOM 0 HG SER A 50 -5.109 -3.579 -10.375 1.00 0.00 H new ATOM 699 N PHE A 51 -3.024 -4.864 -6.964 1.00 0.00 N ATOM 700 CA PHE A 51 -2.883 -4.100 -5.730 1.00 0.00 C ATOM 701 C PHE A 51 -2.743 -2.609 -6.027 1.00 0.00 C ATOM 702 O PHE A 51 -2.609 -2.206 -7.181 1.00 0.00 O ATOM 703 CB PHE A 51 -1.669 -4.589 -4.938 1.00 0.00 C ATOM 704 CG PHE A 51 -1.858 -5.950 -4.331 1.00 0.00 C ATOM 705 CD1 PHE A 51 -2.819 -6.161 -3.355 1.00 0.00 C ATOM 706 CD2 PHE A 51 -1.075 -7.019 -4.736 1.00 0.00 C ATOM 707 CE1 PHE A 51 -2.996 -7.412 -2.795 1.00 0.00 C ATOM 708 CE2 PHE A 51 -1.249 -8.272 -4.180 1.00 0.00 C ATOM 709 CZ PHE A 51 -2.209 -8.468 -3.207 1.00 0.00 C ATOM 0 H PHE A 51 -2.173 -4.922 -7.524 1.00 0.00 H new ATOM 0 HA PHE A 51 -3.783 -4.252 -5.133 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.801 -4.611 -5.596 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.450 -3.874 -4.145 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.437 -5.338 -3.028 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -0.320 -6.871 -5.494 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -3.749 -7.563 -2.036 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.634 -9.098 -4.506 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.344 -9.446 -2.769 1.00 0.00 H new ATOM 719 N ARG A 52 -2.778 -1.797 -4.975 1.00 0.00 N ATOM 720 CA ARG A 52 -2.658 -0.352 -5.122 1.00 0.00 C ATOM 721 C ARG A 52 -1.863 0.247 -3.965 1.00 0.00 C ATOM 722 O ARG A 52 -2.158 -0.008 -2.797 1.00 0.00 O ATOM 723 CB ARG A 52 -4.043 0.292 -5.191 1.00 0.00 C ATOM 724 CG ARG A 52 -4.570 0.452 -6.608 1.00 0.00 C ATOM 725 CD ARG A 52 -5.813 1.328 -6.645 1.00 0.00 C ATOM 726 NE ARG A 52 -6.623 1.179 -5.439 1.00 0.00 N ATOM 727 CZ ARG A 52 -7.930 1.413 -5.397 1.00 0.00 C ATOM 728 NH1 ARG A 52 -8.571 1.806 -6.490 1.00 0.00 N ATOM 729 NH2 ARG A 52 -8.598 1.256 -4.262 1.00 0.00 N ATOM 0 H ARG A 52 -2.888 -2.116 -4.012 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.125 -0.149 -6.051 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.745 -0.313 -4.617 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -4.003 1.271 -4.714 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.796 0.890 -7.238 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.802 -0.528 -7.024 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -5.518 2.371 -6.757 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -6.412 1.071 -7.518 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.160 0.879 -4.581 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -8.060 1.929 -7.364 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -9.575 1.985 -6.456 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -8.108 0.955 -3.419 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -9.602 1.436 -4.232 1.00 0.00 H new ATOM 743 N VAL A 53 -0.855 1.048 -4.298 1.00 0.00 N ATOM 744 CA VAL A 53 -0.019 1.684 -3.287 1.00 0.00 C ATOM 745 C VAL A 53 -0.245 3.191 -3.258 1.00 0.00 C ATOM 746 O VAL A 53 -0.263 3.846 -4.299 1.00 0.00 O ATOM 747 CB VAL A 53 1.475 1.404 -3.537 1.00 0.00 C ATOM 748 CG1 VAL A 53 2.320 1.961 -2.402 1.00 0.00 C ATOM 749 CG2 VAL A 53 1.716 -0.088 -3.709 1.00 0.00 C ATOM 0 H VAL A 53 -0.598 1.271 -5.260 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.304 1.258 -2.325 1.00 0.00 H new ATOM 0 HB VAL A 53 1.771 1.905 -4.458 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.372 1.754 -2.596 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.170 3.038 -2.331 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.025 1.491 -1.464 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.777 -0.267 -3.885 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.404 -0.613 -2.806 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.140 -0.454 -4.559 1.00 0.00 H new ATOM 759 N GLU A 54 -0.416 3.735 -2.057 1.00 0.00 N ATOM 760 CA GLU A 54 -0.641 5.166 -1.892 1.00 0.00 C ATOM 761 C GLU A 54 0.205 5.723 -0.750 1.00 0.00 C ATOM 762 O GLU A 54 0.546 5.005 0.190 1.00 0.00 O ATOM 763 CB GLU A 54 -2.121 5.445 -1.626 1.00 0.00 C ATOM 764 CG GLU A 54 -2.956 5.563 -2.891 1.00 0.00 C ATOM 765 CD GLU A 54 -4.403 5.167 -2.674 1.00 0.00 C ATOM 766 OE1 GLU A 54 -4.694 3.953 -2.693 1.00 0.00 O ATOM 767 OE2 GLU A 54 -5.244 6.070 -2.487 1.00 0.00 O ATOM 0 H GLU A 54 -0.403 3.207 -1.185 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.345 5.662 -2.816 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.527 4.646 -1.006 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.211 6.369 -1.054 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.915 6.590 -3.254 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.523 4.932 -3.668 1.00 0.00 H new ATOM 774 N TYR A 55 0.541 7.005 -0.841 1.00 0.00 N ATOM 775 CA TYR A 55 1.350 7.657 0.182 1.00 0.00 C ATOM 776 C TYR A 55 0.697 8.954 0.647 1.00 0.00 C ATOM 777 O TYR A 55 -0.333 9.370 0.117 1.00 0.00 O ATOM 778 CB TYR A 55 2.754 7.942 -0.354 1.00 0.00 C ATOM 779 CG TYR A 55 2.759 8.661 -1.684 1.00 0.00 C ATOM 780 CD1 TYR A 55 2.672 10.047 -1.749 1.00 0.00 C ATOM 781 CD2 TYR A 55 2.850 7.954 -2.877 1.00 0.00 C ATOM 782 CE1 TYR A 55 2.677 10.707 -2.962 1.00 0.00 C ATOM 783 CE2 TYR A 55 2.856 8.607 -4.095 1.00 0.00 C ATOM 784 CZ TYR A 55 2.769 9.982 -4.132 1.00 0.00 C ATOM 785 OH TYR A 55 2.774 10.636 -5.343 1.00 0.00 O ATOM 0 H TYR A 55 0.266 7.613 -1.612 1.00 0.00 H new ATOM 0 HA TYR A 55 1.425 6.983 1.035 1.00 0.00 H new ATOM 0 HB2 TYR A 55 3.298 8.542 0.376 1.00 0.00 H new ATOM 0 HB3 TYR A 55 3.293 7.000 -0.457 1.00 0.00 H new ATOM 0 HD1 TYR A 55 2.599 10.617 -0.835 1.00 0.00 H new ATOM 0 HD2 TYR A 55 2.917 6.876 -2.852 1.00 0.00 H new ATOM 0 HE1 TYR A 55 2.609 11.784 -2.994 1.00 0.00 H new ATOM 0 HE2 TYR A 55 2.928 8.043 -5.013 1.00 0.00 H new ATOM 0 HH TYR A 55 2.845 9.981 -6.068 1.00 0.00 H new ATOM 795 N LYS A 56 1.304 9.590 1.643 1.00 0.00 N ATOM 796 CA LYS A 56 0.785 10.842 2.182 1.00 0.00 C ATOM 797 C LYS A 56 1.921 11.736 2.670 1.00 0.00 C ATOM 798 O LYS A 56 2.814 11.288 3.388 1.00 0.00 O ATOM 799 CB LYS A 56 -0.188 10.564 3.329 1.00 0.00 C ATOM 800 CG LYS A 56 -0.672 11.819 4.035 1.00 0.00 C ATOM 801 CD LYS A 56 -1.843 11.524 4.955 1.00 0.00 C ATOM 802 CE LYS A 56 -1.373 11.038 6.318 1.00 0.00 C ATOM 803 NZ LYS A 56 -2.446 10.308 7.048 1.00 0.00 N ATOM 0 H LYS A 56 2.157 9.259 2.094 1.00 0.00 H new ATOM 0 HA LYS A 56 0.255 11.360 1.383 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -1.049 10.021 2.940 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.297 9.913 4.056 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.145 12.251 4.612 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -0.968 12.563 3.295 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.447 12.423 5.077 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.484 10.769 4.499 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.510 10.384 6.192 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -1.044 11.890 6.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -2.154 10.157 8.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -3.322 10.868 7.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -2.613 9.388 6.592 1.00 0.00 H new ATOM 817 N LYS A 57 1.880 13.005 2.276 1.00 0.00 N ATOM 818 CA LYS A 57 2.903 13.964 2.675 1.00 0.00 C ATOM 819 C LYS A 57 2.629 14.500 4.076 1.00 0.00 C ATOM 820 O LYS A 57 1.540 15.002 4.358 1.00 0.00 O ATOM 821 CB LYS A 57 2.963 15.123 1.676 1.00 0.00 C ATOM 822 CG LYS A 57 3.656 14.766 0.373 1.00 0.00 C ATOM 823 CD LYS A 57 3.187 15.653 -0.769 1.00 0.00 C ATOM 824 CE LYS A 57 1.867 15.164 -1.348 1.00 0.00 C ATOM 825 NZ LYS A 57 0.705 15.605 -0.530 1.00 0.00 N ATOM 0 H LYS A 57 1.148 13.393 1.680 1.00 0.00 H new ATOM 0 HA LYS A 57 3.864 13.450 2.683 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.949 15.457 1.459 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.484 15.962 2.137 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.735 14.867 0.494 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.459 13.722 0.129 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.072 16.677 -0.413 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.945 15.671 -1.552 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.757 15.537 -2.366 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.877 14.076 -1.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.093 15.836 -1.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.427 14.841 0.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.968 16.447 0.020 1.00 0.00 H new ATOM 839 N LEU A 58 3.623 14.394 4.950 1.00 0.00 N ATOM 840 CA LEU A 58 3.490 14.870 6.323 1.00 0.00 C ATOM 841 C LEU A 58 3.952 16.319 6.444 1.00 0.00 C ATOM 842 O LEU A 58 3.172 17.204 6.794 1.00 0.00 O ATOM 843 CB LEU A 58 4.298 13.983 7.272 1.00 0.00 C ATOM 844 CG LEU A 58 4.027 12.481 7.181 1.00 0.00 C ATOM 845 CD1 LEU A 58 4.942 11.716 8.124 1.00 0.00 C ATOM 846 CD2 LEU A 58 2.568 12.183 7.492 1.00 0.00 C ATOM 0 H LEU A 58 4.531 13.983 4.733 1.00 0.00 H new ATOM 0 HA LEU A 58 2.437 14.820 6.599 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.358 14.153 7.082 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.102 14.306 8.294 1.00 0.00 H new ATOM 0 HG LEU A 58 4.234 12.154 6.162 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.735 10.649 8.046 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.981 11.905 7.855 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.767 12.045 9.148 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.393 11.109 7.423 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.334 12.524 8.500 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.930 12.702 6.776 1.00 0.00 H new ATOM 937 N TRP A 64 -3.931 11.678 0.512 1.00 0.00 N ATOM 938 CA TRP A 64 -3.145 10.554 0.016 1.00 0.00 C ATOM 939 C TRP A 64 -3.060 10.580 -1.506 1.00 0.00 C ATOM 940 O TRP A 64 -4.025 10.931 -2.185 1.00 0.00 O ATOM 941 CB TRP A 64 -3.757 9.233 0.483 1.00 0.00 C ATOM 942 CG TRP A 64 -3.575 8.980 1.950 1.00 0.00 C ATOM 943 CD1 TRP A 64 -4.345 9.468 2.966 1.00 0.00 C ATOM 944 CD2 TRP A 64 -2.559 8.179 2.563 1.00 0.00 C ATOM 945 NE1 TRP A 64 -3.869 9.020 4.175 1.00 0.00 N ATOM 946 CE2 TRP A 64 -2.774 8.226 3.954 1.00 0.00 C ATOM 947 CE3 TRP A 64 -1.490 7.425 2.071 1.00 0.00 C ATOM 948 CZ2 TRP A 64 -1.957 7.550 4.856 1.00 0.00 C ATOM 949 CZ3 TRP A 64 -0.680 6.755 2.968 1.00 0.00 C ATOM 950 CH2 TRP A 64 -0.918 6.819 4.348 1.00 0.00 C ATOM 0 HA TRP A 64 -2.136 10.641 0.419 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -4.822 9.232 0.251 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -3.307 8.414 -0.078 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -5.203 10.112 2.838 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -4.266 9.242 5.088 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -1.300 7.367 1.009 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -2.137 7.601 5.920 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 0.151 6.172 2.599 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -0.269 6.281 5.023 1.00 0.00 H new ATOM 961 N ILE A 65 -1.900 10.205 -2.035 1.00 0.00 N ATOM 962 CA ILE A 65 -1.691 10.183 -3.478 1.00 0.00 C ATOM 963 C ILE A 65 -1.421 8.767 -3.973 1.00 0.00 C ATOM 964 O ILE A 65 -1.113 7.870 -3.187 1.00 0.00 O ATOM 965 CB ILE A 65 -0.517 11.091 -3.889 1.00 0.00 C ATOM 966 CG1 ILE A 65 -0.399 12.277 -2.929 1.00 0.00 C ATOM 967 CG2 ILE A 65 -0.701 11.577 -5.320 1.00 0.00 C ATOM 968 CD1 ILE A 65 -1.622 13.168 -2.916 1.00 0.00 C ATOM 0 H ILE A 65 -1.091 9.913 -1.487 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.607 10.556 -3.936 1.00 0.00 H new ATOM 0 HB ILE A 65 0.406 10.513 -3.837 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.222 11.902 -1.921 1.00 0.00 H new ATOM 0 HG13 ILE A 65 0.471 12.872 -3.205 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.136 12.218 -5.597 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -0.741 10.720 -5.993 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.630 12.141 -5.396 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -1.468 13.987 -2.214 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.788 13.572 -3.914 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.492 12.587 -2.610 1.00 0.00 H new ATOM 980 N LEU A 66 -1.538 8.572 -5.282 1.00 0.00 N ATOM 981 CA LEU A 66 -1.306 7.263 -5.884 1.00 0.00 C ATOM 982 C LEU A 66 0.113 7.162 -6.434 1.00 0.00 C ATOM 983 O LEU A 66 0.531 7.978 -7.256 1.00 0.00 O ATOM 984 CB LEU A 66 -2.318 7.007 -7.002 1.00 0.00 C ATOM 985 CG LEU A 66 -2.208 5.656 -7.710 1.00 0.00 C ATOM 986 CD1 LEU A 66 -2.399 4.517 -6.720 1.00 0.00 C ATOM 987 CD2 LEU A 66 -3.225 5.561 -8.838 1.00 0.00 C ATOM 0 H LEU A 66 -1.792 9.303 -5.947 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.431 6.506 -5.109 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.321 7.095 -6.584 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.213 7.795 -7.748 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.210 5.573 -8.140 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.317 3.564 -7.242 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.633 4.574 -5.947 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.384 4.596 -6.260 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.132 4.593 -9.331 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.231 5.666 -8.431 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.041 6.355 -9.561 1.00 0.00 H new ATOM 999 N ALA A 67 0.849 6.154 -5.979 1.00 0.00 N ATOM 1000 CA ALA A 67 2.220 5.944 -6.428 1.00 0.00 C ATOM 1001 C ALA A 67 2.267 4.992 -7.618 1.00 0.00 C ATOM 1002 O ALA A 67 2.655 5.378 -8.722 1.00 0.00 O ATOM 1003 CB ALA A 67 3.073 5.409 -5.288 1.00 0.00 C ATOM 0 H ALA A 67 0.519 5.469 -5.299 1.00 0.00 H new ATOM 0 HA ALA A 67 2.623 6.905 -6.748 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.094 5.257 -5.638 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.074 6.126 -4.467 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.663 4.460 -4.941 1.00 0.00 H new ATOM 1009 N THR A 68 1.870 3.744 -7.388 1.00 0.00 N ATOM 1010 CA THR A 68 1.868 2.736 -8.441 1.00 0.00 C ATOM 1011 C THR A 68 0.543 1.983 -8.479 1.00 0.00 C ATOM 1012 O THR A 68 -0.355 2.247 -7.679 1.00 0.00 O ATOM 1013 CB THR A 68 3.014 1.724 -8.252 1.00 0.00 C ATOM 1014 OG1 THR A 68 3.340 1.113 -9.505 1.00 0.00 O ATOM 1015 CG2 THR A 68 2.629 0.653 -7.243 1.00 0.00 C ATOM 0 H THR A 68 1.546 3.407 -6.481 1.00 0.00 H new ATOM 0 HA THR A 68 2.010 3.264 -9.384 1.00 0.00 H new ATOM 0 HB THR A 68 3.884 2.260 -7.874 1.00 0.00 H new ATOM 0 HG1 THR A 68 4.070 0.472 -9.376 1.00 0.00 H new ATOM 0 HG21 THR A 68 3.454 -0.050 -7.126 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.411 1.120 -6.282 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.746 0.121 -7.596 1.00 0.00 H new ATOM 1023 N SER A 69 0.427 1.046 -9.415 1.00 0.00 N ATOM 1024 CA SER A 69 -0.790 0.257 -9.559 1.00 0.00 C ATOM 1025 C SER A 69 -0.599 -0.853 -10.589 1.00 0.00 C ATOM 1026 O SER A 69 0.463 -0.971 -11.201 1.00 0.00 O ATOM 1027 CB SER A 69 -1.959 1.154 -9.970 1.00 0.00 C ATOM 1028 OG SER A 69 -1.905 1.461 -11.353 1.00 0.00 O ATOM 0 H SER A 69 1.161 0.815 -10.084 1.00 0.00 H new ATOM 0 HA SER A 69 -1.014 -0.200 -8.595 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.901 0.656 -9.741 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.936 2.076 -9.389 1.00 0.00 H new ATOM 0 HG SER A 69 -2.664 2.034 -11.591 1.00 0.00 H new ATOM 1034 N ALA A 70 -1.636 -1.663 -10.776 1.00 0.00 N ATOM 1035 CA ALA A 70 -1.584 -2.761 -11.733 1.00 0.00 C ATOM 1036 C ALA A 70 -0.540 -3.796 -11.325 1.00 0.00 C ATOM 1037 O ALA A 70 0.080 -4.433 -12.177 1.00 0.00 O ATOM 1038 CB ALA A 70 -1.288 -2.232 -13.128 1.00 0.00 C ATOM 0 H ALA A 70 -2.522 -1.579 -10.277 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.558 -3.250 -11.741 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.252 -3.063 -13.832 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.072 -1.536 -13.427 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.327 -1.717 -13.126 1.00 0.00 H new ATOM 1044 N ILE A 71 -0.353 -3.958 -10.019 1.00 0.00 N ATOM 1045 CA ILE A 71 0.615 -4.915 -9.500 1.00 0.00 C ATOM 1046 C ILE A 71 0.012 -6.313 -9.410 1.00 0.00 C ATOM 1047 O ILE A 71 -1.137 -6.495 -9.006 1.00 0.00 O ATOM 1048 CB ILE A 71 1.129 -4.500 -8.110 1.00 0.00 C ATOM 1049 CG1 ILE A 71 1.812 -3.132 -8.182 1.00 0.00 C ATOM 1050 CG2 ILE A 71 2.087 -5.547 -7.563 1.00 0.00 C ATOM 1051 CD1 ILE A 71 2.169 -2.562 -6.827 1.00 0.00 C ATOM 0 H ILE A 71 -0.859 -3.439 -9.302 1.00 0.00 H new ATOM 0 HA ILE A 71 1.452 -4.926 -10.198 1.00 0.00 H new ATOM 0 HB ILE A 71 0.278 -4.426 -7.433 1.00 0.00 H new ATOM 0 HG12 ILE A 71 2.719 -3.219 -8.781 1.00 0.00 H new ATOM 0 HG13 ILE A 71 1.154 -2.433 -8.699 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.441 -5.238 -6.580 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.571 -6.504 -7.479 1.00 0.00 H new ATOM 0 HG23 ILE A 71 2.936 -5.651 -8.238 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.649 -1.592 -6.955 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.263 -2.443 -6.232 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.852 -3.240 -6.315 1.00 0.00 H new ATOM 1063 N PRO A 72 0.804 -7.325 -9.793 1.00 0.00 N ATOM 1064 CA PRO A 72 0.371 -8.725 -9.763 1.00 0.00 C ATOM 1065 C PRO A 72 0.218 -9.253 -8.341 1.00 0.00 C ATOM 1066 O PRO A 72 0.816 -8.741 -7.395 1.00 0.00 O ATOM 1067 CB PRO A 72 1.497 -9.462 -10.490 1.00 0.00 C ATOM 1068 CG PRO A 72 2.696 -8.595 -10.308 1.00 0.00 C ATOM 1069 CD PRO A 72 2.184 -7.182 -10.287 1.00 0.00 C ATOM 0 HA PRO A 72 -0.608 -8.859 -10.223 1.00 0.00 H new ATOM 0 HB2 PRO A 72 1.658 -10.454 -10.068 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.264 -9.599 -11.546 1.00 0.00 H new ATOM 0 HG2 PRO A 72 3.215 -8.836 -9.380 1.00 0.00 H new ATOM 0 HG3 PRO A 72 3.409 -8.740 -11.119 1.00 0.00 H new ATOM 0 HD2 PRO A 72 2.781 -6.548 -9.632 1.00 0.00 H new ATOM 0 HD3 PRO A 72 2.211 -6.730 -11.279 1.00 0.00 H new ATOM 1077 N PRO A 73 -0.600 -10.304 -8.183 1.00 0.00 N ATOM 1078 CA PRO A 73 -0.849 -10.926 -6.879 1.00 0.00 C ATOM 1079 C PRO A 73 0.371 -11.673 -6.351 1.00 0.00 C ATOM 1080 O PRO A 73 0.475 -11.943 -5.154 1.00 0.00 O ATOM 1081 CB PRO A 73 -1.993 -11.902 -7.164 1.00 0.00 C ATOM 1082 CG PRO A 73 -1.870 -12.217 -8.615 1.00 0.00 C ATOM 1083 CD PRO A 73 -1.347 -10.967 -9.266 1.00 0.00 C ATOM 0 HA PRO A 73 -1.083 -10.187 -6.113 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.907 -12.802 -6.555 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.961 -11.455 -6.937 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.191 -13.055 -8.777 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.834 -12.502 -9.036 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -0.704 -11.196 -10.116 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.156 -10.339 -9.638 1.00 0.00 H new ATOM 1091 N SER A 74 1.292 -12.004 -7.251 1.00 0.00 N ATOM 1092 CA SER A 74 2.503 -12.723 -6.876 1.00 0.00 C ATOM 1093 C SER A 74 3.578 -11.758 -6.386 1.00 0.00 C ATOM 1094 O SER A 74 4.561 -12.167 -5.768 1.00 0.00 O ATOM 1095 CB SER A 74 3.030 -13.532 -8.062 1.00 0.00 C ATOM 1096 OG SER A 74 3.781 -14.651 -7.624 1.00 0.00 O ATOM 0 H SER A 74 1.222 -11.785 -8.245 1.00 0.00 H new ATOM 0 HA SER A 74 2.254 -13.405 -6.063 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.195 -13.869 -8.676 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.653 -12.896 -8.692 1.00 0.00 H new ATOM 0 HG SER A 74 4.105 -15.152 -8.401 1.00 0.00 H new ATOM 1102 N ARG A 75 3.385 -10.473 -6.667 1.00 0.00 N ATOM 1103 CA ARG A 75 4.337 -9.448 -6.259 1.00 0.00 C ATOM 1104 C ARG A 75 3.867 -8.745 -4.988 1.00 0.00 C ATOM 1105 O ARG A 75 2.996 -7.876 -5.033 1.00 0.00 O ATOM 1106 CB ARG A 75 4.531 -8.425 -7.379 1.00 0.00 C ATOM 1107 CG ARG A 75 5.524 -7.327 -7.035 1.00 0.00 C ATOM 1108 CD ARG A 75 6.226 -6.803 -8.278 1.00 0.00 C ATOM 1109 NE ARG A 75 7.528 -6.217 -7.964 1.00 0.00 N ATOM 1110 CZ ARG A 75 8.618 -6.937 -7.725 1.00 0.00 C ATOM 1111 NH1 ARG A 75 8.566 -8.261 -7.763 1.00 0.00 N ATOM 1112 NH2 ARG A 75 9.766 -6.331 -7.447 1.00 0.00 N ATOM 0 H ARG A 75 2.576 -10.117 -7.177 1.00 0.00 H new ATOM 0 HA ARG A 75 5.290 -9.935 -6.054 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.870 -8.942 -8.277 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.569 -7.972 -7.616 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.005 -6.508 -6.536 1.00 0.00 H new ATOM 0 HG3 ARG A 75 6.264 -7.711 -6.332 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.357 -7.617 -8.991 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.598 -6.054 -8.761 1.00 0.00 H new ATOM 0 HE ARG A 75 7.603 -5.200 -7.926 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.686 -8.731 -7.977 1.00 0.00 H new ATOM 0 HH12 ARG A 75 9.406 -8.810 -7.579 1.00 0.00 H new ATOM 0 HH21 ARG A 75 9.811 -5.312 -7.417 1.00 0.00 H new ATOM 0 HH22 ARG A 75 10.603 -6.884 -7.263 1.00 0.00 H new ATOM 1126 N LEU A 76 4.449 -9.128 -3.856 1.00 0.00 N ATOM 1127 CA LEU A 76 4.090 -8.535 -2.574 1.00 0.00 C ATOM 1128 C LEU A 76 5.063 -7.421 -2.197 1.00 0.00 C ATOM 1129 O LEU A 76 5.029 -6.906 -1.079 1.00 0.00 O ATOM 1130 CB LEU A 76 4.075 -9.605 -1.481 1.00 0.00 C ATOM 1131 CG LEU A 76 3.241 -10.853 -1.775 1.00 0.00 C ATOM 1132 CD1 LEU A 76 3.222 -11.779 -0.569 1.00 0.00 C ATOM 1133 CD2 LEU A 76 1.825 -10.465 -2.175 1.00 0.00 C ATOM 0 H LEU A 76 5.171 -9.846 -3.801 1.00 0.00 H new ATOM 0 HA LEU A 76 3.093 -8.105 -2.667 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.102 -9.916 -1.290 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.703 -9.152 -0.562 1.00 0.00 H new ATOM 0 HG LEU A 76 3.700 -11.386 -2.608 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.624 -12.661 -0.797 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.240 -12.083 -0.328 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.788 -11.257 0.284 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.245 -11.365 -2.381 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.357 -9.910 -1.362 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.857 -9.842 -3.069 1.00 0.00 H new ATOM 1145 N SER A 77 5.926 -7.054 -3.138 1.00 0.00 N ATOM 1146 CA SER A 77 6.910 -6.002 -2.905 1.00 0.00 C ATOM 1147 C SER A 77 7.266 -5.293 -4.207 1.00 0.00 C ATOM 1148 O SER A 77 7.507 -5.933 -5.230 1.00 0.00 O ATOM 1149 CB SER A 77 8.171 -6.587 -2.268 1.00 0.00 C ATOM 1150 OG SER A 77 9.315 -5.821 -2.605 1.00 0.00 O ATOM 0 H SER A 77 5.965 -7.469 -4.069 1.00 0.00 H new ATOM 0 HA SER A 77 6.472 -5.273 -2.223 1.00 0.00 H new ATOM 0 HB2 SER A 77 8.055 -6.616 -1.185 1.00 0.00 H new ATOM 0 HB3 SER A 77 8.307 -7.616 -2.602 1.00 0.00 H new ATOM 0 HG SER A 77 10.108 -6.215 -2.184 1.00 0.00 H new ATOM 1156 N VAL A 78 7.295 -3.965 -4.162 1.00 0.00 N ATOM 1157 CA VAL A 78 7.623 -3.166 -5.337 1.00 0.00 C ATOM 1158 C VAL A 78 8.372 -1.897 -4.947 1.00 0.00 C ATOM 1159 O VAL A 78 8.346 -1.479 -3.791 1.00 0.00 O ATOM 1160 CB VAL A 78 6.356 -2.780 -6.123 1.00 0.00 C ATOM 1161 CG1 VAL A 78 5.385 -3.949 -6.180 1.00 0.00 C ATOM 1162 CG2 VAL A 78 5.696 -1.558 -5.502 1.00 0.00 C ATOM 0 H VAL A 78 7.095 -3.419 -3.324 1.00 0.00 H new ATOM 0 HA VAL A 78 8.262 -3.781 -5.970 1.00 0.00 H new ATOM 0 HB VAL A 78 6.645 -2.530 -7.144 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.496 -3.657 -6.739 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.863 -4.795 -6.674 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.099 -4.234 -5.168 1.00 0.00 H new ATOM 0 HG21 VAL A 78 4.802 -1.299 -6.070 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.420 -1.778 -4.471 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.393 -0.720 -5.520 1.00 0.00 H new ATOM 1172 N GLU A 79 9.040 -1.287 -5.922 1.00 0.00 N ATOM 1173 CA GLU A 79 9.798 -0.066 -5.680 1.00 0.00 C ATOM 1174 C GLU A 79 8.990 1.164 -6.082 1.00 0.00 C ATOM 1175 O GLU A 79 8.753 1.405 -7.266 1.00 0.00 O ATOM 1176 CB GLU A 79 11.118 -0.097 -6.454 1.00 0.00 C ATOM 1177 CG GLU A 79 12.027 1.083 -6.155 1.00 0.00 C ATOM 1178 CD GLU A 79 13.298 1.065 -6.981 1.00 0.00 C ATOM 1179 OE1 GLU A 79 13.201 0.933 -8.218 1.00 0.00 O ATOM 1180 OE2 GLU A 79 14.391 1.185 -6.388 1.00 0.00 O ATOM 0 H GLU A 79 9.071 -1.619 -6.886 1.00 0.00 H new ATOM 0 HA GLU A 79 10.012 -0.007 -4.613 1.00 0.00 H new ATOM 0 HB2 GLU A 79 11.646 -1.021 -6.218 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.903 -0.117 -7.522 1.00 0.00 H new ATOM 0 HG2 GLU A 79 11.487 2.010 -6.346 1.00 0.00 H new ATOM 0 HG3 GLU A 79 12.286 1.078 -5.096 1.00 0.00 H new ATOM 1187 N ILE A 80 8.568 1.938 -5.087 1.00 0.00 N ATOM 1188 CA ILE A 80 7.787 3.143 -5.336 1.00 0.00 C ATOM 1189 C ILE A 80 8.684 4.304 -5.752 1.00 0.00 C ATOM 1190 O ILE A 80 9.443 4.838 -4.942 1.00 0.00 O ATOM 1191 CB ILE A 80 6.975 3.555 -4.093 1.00 0.00 C ATOM 1192 CG1 ILE A 80 6.063 2.409 -3.650 1.00 0.00 C ATOM 1193 CG2 ILE A 80 6.161 4.807 -4.383 1.00 0.00 C ATOM 1194 CD1 ILE A 80 4.870 2.202 -4.556 1.00 0.00 C ATOM 0 H ILE A 80 8.754 1.752 -4.102 1.00 0.00 H new ATOM 0 HA ILE A 80 7.099 2.910 -6.148 1.00 0.00 H new ATOM 0 HB ILE A 80 7.668 3.777 -3.281 1.00 0.00 H new ATOM 0 HG12 ILE A 80 6.644 1.487 -3.611 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.710 2.606 -2.638 1.00 0.00 H new ATOM 0 HG21 ILE A 80 5.593 5.085 -3.495 1.00 0.00 H new ATOM 0 HG22 ILE A 80 6.832 5.622 -4.655 1.00 0.00 H new ATOM 0 HG23 ILE A 80 5.474 4.612 -5.207 1.00 0.00 H new ATOM 0 HD11 ILE A 80 4.268 1.374 -4.181 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.267 3.109 -4.576 1.00 0.00 H new ATOM 0 HD13 ILE A 80 5.214 1.973 -5.564 1.00 0.00 H new ATOM 1206 N THR A 81 8.591 4.693 -7.020 1.00 0.00 N ATOM 1207 CA THR A 81 9.393 5.791 -7.544 1.00 0.00 C ATOM 1208 C THR A 81 8.538 7.029 -7.787 1.00 0.00 C ATOM 1209 O THR A 81 7.309 6.958 -7.785 1.00 0.00 O ATOM 1210 CB THR A 81 10.092 5.397 -8.859 1.00 0.00 C ATOM 1211 OG1 THR A 81 9.116 5.148 -9.877 1.00 0.00 O ATOM 1212 CG2 THR A 81 10.956 4.161 -8.664 1.00 0.00 C ATOM 0 H THR A 81 7.967 4.263 -7.703 1.00 0.00 H new ATOM 0 HA THR A 81 10.149 6.018 -6.792 1.00 0.00 H new ATOM 0 HB THR A 81 10.733 6.223 -9.165 1.00 0.00 H new ATOM 0 HG1 THR A 81 9.568 4.900 -10.710 1.00 0.00 H new ATOM 0 HG21 THR A 81 11.439 3.902 -9.606 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.717 4.364 -7.910 1.00 0.00 H new ATOM 0 HG23 THR A 81 10.333 3.329 -8.336 1.00 0.00 H new ATOM 1220 N GLY A 82 9.195 8.165 -7.995 1.00 0.00 N ATOM 1221 CA GLY A 82 8.479 9.404 -8.237 1.00 0.00 C ATOM 1222 C GLY A 82 8.199 10.171 -6.960 1.00 0.00 C ATOM 1223 O GLY A 82 7.169 10.836 -6.839 1.00 0.00 O ATOM 0 H GLY A 82 10.211 8.250 -8.000 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.061 10.030 -8.913 1.00 0.00 H new ATOM 0 HA3 GLY A 82 7.537 9.183 -8.739 1.00 0.00 H new ATOM 1227 N LEU A 83 9.115 10.077 -6.003 1.00 0.00 N ATOM 1228 CA LEU A 83 8.961 10.766 -4.726 1.00 0.00 C ATOM 1229 C LEU A 83 9.815 12.030 -4.683 1.00 0.00 C ATOM 1230 O LEU A 83 10.646 12.258 -5.562 1.00 0.00 O ATOM 1231 CB LEU A 83 9.345 9.837 -3.573 1.00 0.00 C ATOM 1232 CG LEU A 83 8.739 8.434 -3.612 1.00 0.00 C ATOM 1233 CD1 LEU A 83 9.424 7.530 -2.599 1.00 0.00 C ATOM 1234 CD2 LEU A 83 7.241 8.492 -3.352 1.00 0.00 C ATOM 0 H LEU A 83 9.972 9.531 -6.087 1.00 0.00 H new ATOM 0 HA LEU A 83 7.915 11.053 -4.620 1.00 0.00 H new ATOM 0 HB2 LEU A 83 10.431 9.742 -3.556 1.00 0.00 H new ATOM 0 HB3 LEU A 83 9.052 10.312 -2.637 1.00 0.00 H new ATOM 0 HG LEU A 83 8.898 8.017 -4.607 1.00 0.00 H new ATOM 0 HD11 LEU A 83 8.980 6.535 -2.640 1.00 0.00 H new ATOM 0 HD12 LEU A 83 10.487 7.463 -2.831 1.00 0.00 H new ATOM 0 HD13 LEU A 83 9.297 7.943 -1.598 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.827 7.484 -3.384 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.059 8.929 -2.370 1.00 0.00 H new ATOM 0 HD23 LEU A 83 6.763 9.105 -4.116 1.00 0.00 H new ATOM 1246 N GLU A 84 9.606 12.844 -3.653 1.00 0.00 N ATOM 1247 CA GLU A 84 10.358 14.084 -3.495 1.00 0.00 C ATOM 1248 C GLU A 84 11.249 14.025 -2.258 1.00 0.00 C ATOM 1249 O GLU A 84 10.807 13.631 -1.179 1.00 0.00 O ATOM 1250 CB GLU A 84 9.405 15.276 -3.396 1.00 0.00 C ATOM 1251 CG GLU A 84 9.062 15.896 -4.740 1.00 0.00 C ATOM 1252 CD GLU A 84 10.031 16.992 -5.141 1.00 0.00 C ATOM 1253 OE1 GLU A 84 10.473 17.747 -4.251 1.00 0.00 O ATOM 1254 OE2 GLU A 84 10.346 17.093 -6.345 1.00 0.00 O ATOM 0 H GLU A 84 8.923 12.668 -2.916 1.00 0.00 H new ATOM 0 HA GLU A 84 10.992 14.209 -4.373 1.00 0.00 H new ATOM 0 HB2 GLU A 84 8.485 14.955 -2.908 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.854 16.037 -2.759 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.061 15.119 -5.505 1.00 0.00 H new ATOM 0 HG3 GLU A 84 8.053 16.305 -4.700 1.00 0.00 H new ATOM 1261 N LYS A 85 12.506 14.420 -2.422 1.00 0.00 N ATOM 1262 CA LYS A 85 13.461 14.415 -1.320 1.00 0.00 C ATOM 1263 C LYS A 85 13.091 15.462 -0.275 1.00 0.00 C ATOM 1264 O LYS A 85 12.401 16.435 -0.574 1.00 0.00 O ATOM 1265 CB LYS A 85 14.875 14.677 -1.842 1.00 0.00 C ATOM 1266 CG LYS A 85 15.633 13.411 -2.208 1.00 0.00 C ATOM 1267 CD LYS A 85 16.631 13.663 -3.326 1.00 0.00 C ATOM 1268 CE LYS A 85 15.957 13.647 -4.689 1.00 0.00 C ATOM 1269 NZ LYS A 85 16.699 14.468 -5.685 1.00 0.00 N ATOM 0 H LYS A 85 12.888 14.748 -3.309 1.00 0.00 H new ATOM 0 HA LYS A 85 13.431 13.432 -0.850 1.00 0.00 H new ATOM 0 HB2 LYS A 85 14.816 15.321 -2.719 1.00 0.00 H new ATOM 0 HB3 LYS A 85 15.438 15.221 -1.084 1.00 0.00 H new ATOM 0 HG2 LYS A 85 16.156 13.032 -1.330 1.00 0.00 H new ATOM 0 HG3 LYS A 85 14.927 12.639 -2.516 1.00 0.00 H new ATOM 0 HD2 LYS A 85 17.117 14.626 -3.171 1.00 0.00 H new ATOM 0 HD3 LYS A 85 17.412 12.903 -3.296 1.00 0.00 H new ATOM 0 HE2 LYS A 85 15.885 12.620 -5.046 1.00 0.00 H new ATOM 0 HE3 LYS A 85 14.938 14.024 -4.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 16.207 14.431 -6.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 16.746 15.454 -5.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 17.663 14.094 -5.794 1.00 0.00 H new ATOM 1283 N GLY A 86 13.557 15.257 0.954 1.00 0.00 N ATOM 1284 CA GLY A 86 13.265 16.193 2.023 1.00 0.00 C ATOM 1285 C GLY A 86 11.784 16.271 2.338 1.00 0.00 C ATOM 1286 O GLY A 86 11.342 17.168 3.057 1.00 0.00 O ATOM 0 H GLY A 86 14.131 14.460 1.227 1.00 0.00 H new ATOM 0 HA2 GLY A 86 13.809 15.896 2.920 1.00 0.00 H new ATOM 0 HA3 GLY A 86 13.626 17.183 1.744 1.00 0.00 H new ATOM 1290 N ILE A 87 11.017 15.331 1.798 1.00 0.00 N ATOM 1291 CA ILE A 87 9.577 15.298 2.025 1.00 0.00 C ATOM 1292 C ILE A 87 9.153 13.986 2.678 1.00 0.00 C ATOM 1293 O ILE A 87 9.070 12.951 2.018 1.00 0.00 O ATOM 1294 CB ILE A 87 8.795 15.480 0.711 1.00 0.00 C ATOM 1295 CG1 ILE A 87 9.041 16.876 0.135 1.00 0.00 C ATOM 1296 CG2 ILE A 87 7.309 15.251 0.943 1.00 0.00 C ATOM 1297 CD1 ILE A 87 8.477 17.990 0.989 1.00 0.00 C ATOM 0 H ILE A 87 11.368 14.582 1.201 1.00 0.00 H new ATOM 0 HA ILE A 87 9.345 16.126 2.694 1.00 0.00 H new ATOM 0 HB ILE A 87 9.148 14.743 -0.010 1.00 0.00 H new ATOM 0 HG12 ILE A 87 10.114 17.027 0.017 1.00 0.00 H new ATOM 0 HG13 ILE A 87 8.599 16.933 -0.860 1.00 0.00 H new ATOM 0 HG21 ILE A 87 6.770 15.383 0.005 1.00 0.00 H new ATOM 0 HG22 ILE A 87 7.150 14.238 1.313 1.00 0.00 H new ATOM 0 HG23 ILE A 87 6.941 15.967 1.677 1.00 0.00 H new ATOM 0 HD11 ILE A 87 8.688 18.951 0.520 1.00 0.00 H new ATOM 0 HD12 ILE A 87 7.399 17.863 1.087 1.00 0.00 H new ATOM 0 HD13 ILE A 87 8.937 17.960 1.977 1.00 0.00 H new ATOM 1309 N SER A 88 8.885 14.039 3.979 1.00 0.00 N ATOM 1310 CA SER A 88 8.471 12.854 4.722 1.00 0.00 C ATOM 1311 C SER A 88 7.061 12.428 4.324 1.00 0.00 C ATOM 1312 O SER A 88 6.181 13.265 4.121 1.00 0.00 O ATOM 1313 CB SER A 88 8.528 13.125 6.227 1.00 0.00 C ATOM 1314 OG SER A 88 9.526 14.084 6.535 1.00 0.00 O ATOM 0 H SER A 88 8.947 14.889 4.540 1.00 0.00 H new ATOM 0 HA SER A 88 9.159 12.044 4.479 1.00 0.00 H new ATOM 0 HB2 SER A 88 7.558 13.481 6.573 1.00 0.00 H new ATOM 0 HB3 SER A 88 8.735 12.197 6.759 1.00 0.00 H new ATOM 0 HG SER A 88 9.541 14.241 7.502 1.00 0.00 H new ATOM 1320 N TYR A 89 6.856 11.121 4.213 1.00 0.00 N ATOM 1321 CA TYR A 89 5.554 10.581 3.837 1.00 0.00 C ATOM 1322 C TYR A 89 5.459 9.098 4.177 1.00 0.00 C ATOM 1323 O TYR A 89 6.472 8.435 4.406 1.00 0.00 O ATOM 1324 CB TYR A 89 5.306 10.789 2.342 1.00 0.00 C ATOM 1325 CG TYR A 89 6.572 10.827 1.516 1.00 0.00 C ATOM 1326 CD1 TYR A 89 7.529 9.825 1.630 1.00 0.00 C ATOM 1327 CD2 TYR A 89 6.813 11.865 0.625 1.00 0.00 C ATOM 1328 CE1 TYR A 89 8.688 9.856 0.879 1.00 0.00 C ATOM 1329 CE2 TYR A 89 7.969 11.904 -0.131 1.00 0.00 C ATOM 1330 CZ TYR A 89 8.903 10.896 0.000 1.00 0.00 C ATOM 1331 OH TYR A 89 10.056 10.932 -0.751 1.00 0.00 O ATOM 0 H TYR A 89 7.574 10.415 4.378 1.00 0.00 H new ATOM 0 HA TYR A 89 4.791 11.114 4.404 1.00 0.00 H new ATOM 0 HB2 TYR A 89 4.666 9.987 1.974 1.00 0.00 H new ATOM 0 HB3 TYR A 89 4.761 11.722 2.199 1.00 0.00 H new ATOM 0 HD1 TYR A 89 7.363 9.009 2.317 1.00 0.00 H new ATOM 0 HD2 TYR A 89 6.084 12.655 0.521 1.00 0.00 H new ATOM 0 HE1 TYR A 89 9.422 9.070 0.980 1.00 0.00 H new ATOM 0 HE2 TYR A 89 8.141 12.718 -0.820 1.00 0.00 H new ATOM 0 HH TYR A 89 10.319 11.864 -0.902 1.00 0.00 H new ATOM 1341 N LYS A 90 4.236 8.580 4.209 1.00 0.00 N ATOM 1342 CA LYS A 90 4.006 7.175 4.519 1.00 0.00 C ATOM 1343 C LYS A 90 3.556 6.410 3.279 1.00 0.00 C ATOM 1344 O LYS A 90 3.498 6.966 2.182 1.00 0.00 O ATOM 1345 CB LYS A 90 2.956 7.040 5.624 1.00 0.00 C ATOM 1346 CG LYS A 90 3.114 8.057 6.741 1.00 0.00 C ATOM 1347 CD LYS A 90 2.303 7.671 7.966 1.00 0.00 C ATOM 1348 CE LYS A 90 2.944 8.188 9.246 1.00 0.00 C ATOM 1349 NZ LYS A 90 1.952 8.326 10.346 1.00 0.00 N ATOM 0 H LYS A 90 3.387 9.114 4.023 1.00 0.00 H new ATOM 0 HA LYS A 90 4.947 6.747 4.866 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.964 7.146 5.186 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.013 6.037 6.047 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.166 8.140 7.012 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.797 9.038 6.388 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.293 8.072 7.876 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.212 6.586 8.016 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.737 7.507 9.556 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.410 9.154 9.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.428 8.681 11.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 1.208 8.995 10.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.525 7.399 10.547 1.00 0.00 H new ATOM 1363 N PHE A 91 3.236 5.133 3.460 1.00 0.00 N ATOM 1364 CA PHE A 91 2.788 4.293 2.355 1.00 0.00 C ATOM 1365 C PHE A 91 1.681 3.344 2.806 1.00 0.00 C ATOM 1366 O PHE A 91 1.469 3.146 4.003 1.00 0.00 O ATOM 1367 CB PHE A 91 3.962 3.491 1.789 1.00 0.00 C ATOM 1368 CG PHE A 91 5.071 4.351 1.252 1.00 0.00 C ATOM 1369 CD1 PHE A 91 5.989 4.937 2.109 1.00 0.00 C ATOM 1370 CD2 PHE A 91 5.195 4.573 -0.110 1.00 0.00 C ATOM 1371 CE1 PHE A 91 7.008 5.729 1.618 1.00 0.00 C ATOM 1372 CE2 PHE A 91 6.214 5.364 -0.607 1.00 0.00 C ATOM 1373 CZ PHE A 91 7.123 5.941 0.258 1.00 0.00 C ATOM 0 H PHE A 91 3.279 4.657 4.361 1.00 0.00 H new ATOM 0 HA PHE A 91 2.390 4.943 1.576 1.00 0.00 H new ATOM 0 HB2 PHE A 91 4.360 2.844 2.571 1.00 0.00 H new ATOM 0 HB3 PHE A 91 3.598 2.842 0.993 1.00 0.00 H new ATOM 0 HD1 PHE A 91 5.906 4.772 3.173 1.00 0.00 H new ATOM 0 HD2 PHE A 91 4.488 4.123 -0.791 1.00 0.00 H new ATOM 0 HE1 PHE A 91 7.715 6.183 2.297 1.00 0.00 H new ATOM 0 HE2 PHE A 91 6.299 5.531 -1.671 1.00 0.00 H new ATOM 0 HZ PHE A 91 7.922 6.557 -0.128 1.00 0.00 H new ATOM 1383 N ARG A 92 0.979 2.761 1.840 1.00 0.00 N ATOM 1384 CA ARG A 92 -0.106 1.835 2.137 1.00 0.00 C ATOM 1385 C ARG A 92 -0.372 0.911 0.953 1.00 0.00 C ATOM 1386 O ARG A 92 0.159 1.115 -0.140 1.00 0.00 O ATOM 1387 CB ARG A 92 -1.380 2.605 2.492 1.00 0.00 C ATOM 1388 CG ARG A 92 -1.985 3.356 1.317 1.00 0.00 C ATOM 1389 CD ARG A 92 -3.431 3.741 1.588 1.00 0.00 C ATOM 1390 NE ARG A 92 -3.565 4.543 2.800 1.00 0.00 N ATOM 1391 CZ ARG A 92 -4.622 5.304 3.065 1.00 0.00 C ATOM 1392 NH1 ARG A 92 -5.630 5.365 2.207 1.00 0.00 N ATOM 1393 NH2 ARG A 92 -4.671 6.006 4.191 1.00 0.00 N ATOM 0 H ARG A 92 1.143 2.914 0.845 1.00 0.00 H new ATOM 0 HA ARG A 92 0.193 1.227 2.991 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -2.119 1.907 2.885 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -1.156 3.314 3.289 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -1.400 4.253 1.117 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -1.934 2.736 0.422 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -3.823 4.300 0.738 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -4.035 2.839 1.682 1.00 0.00 H new ATOM 0 HE ARG A 92 -2.806 4.518 3.481 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -5.596 4.827 1.341 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -6.440 5.950 2.413 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -3.897 5.962 4.854 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -5.483 6.590 4.393 1.00 0.00 H new ATOM 1407 N VAL A 93 -1.197 -0.107 1.176 1.00 0.00 N ATOM 1408 CA VAL A 93 -1.534 -1.063 0.127 1.00 0.00 C ATOM 1409 C VAL A 93 -3.023 -1.390 0.139 1.00 0.00 C ATOM 1410 O VAL A 93 -3.629 -1.533 1.201 1.00 0.00 O ATOM 1411 CB VAL A 93 -0.732 -2.369 0.279 1.00 0.00 C ATOM 1412 CG1 VAL A 93 -1.124 -3.365 -0.801 1.00 0.00 C ATOM 1413 CG2 VAL A 93 0.762 -2.084 0.237 1.00 0.00 C ATOM 0 H VAL A 93 -1.645 -0.291 2.074 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.275 -0.595 -0.823 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.968 -2.809 1.248 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.547 -4.281 -0.677 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.187 -3.592 -0.719 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -0.919 -2.937 -1.782 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.314 -3.018 0.346 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.017 -1.621 -0.716 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.027 -1.409 1.051 1.00 0.00 H new ATOM 1423 N ARG A 94 -3.607 -1.506 -1.049 1.00 0.00 N ATOM 1424 CA ARG A 94 -5.027 -1.815 -1.176 1.00 0.00 C ATOM 1425 C ARG A 94 -5.245 -2.983 -2.133 1.00 0.00 C ATOM 1426 O ARG A 94 -4.631 -3.048 -3.198 1.00 0.00 O ATOM 1427 CB ARG A 94 -5.796 -0.588 -1.667 1.00 0.00 C ATOM 1428 CG ARG A 94 -6.144 0.396 -0.562 1.00 0.00 C ATOM 1429 CD ARG A 94 -7.399 1.187 -0.896 1.00 0.00 C ATOM 1430 NE ARG A 94 -7.798 2.066 0.200 1.00 0.00 N ATOM 1431 CZ ARG A 94 -8.526 3.164 0.033 1.00 0.00 C ATOM 1432 NH1 ARG A 94 -8.932 3.517 -1.179 1.00 0.00 N ATOM 1433 NH2 ARG A 94 -8.850 3.913 1.080 1.00 0.00 N ATOM 0 H ARG A 94 -3.119 -1.391 -1.937 1.00 0.00 H new ATOM 0 HA ARG A 94 -5.401 -2.099 -0.192 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -5.201 -0.076 -2.424 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -6.715 -0.916 -2.152 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -6.291 -0.143 0.374 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -5.311 1.082 -0.408 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -7.225 1.781 -1.793 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -8.212 0.498 -1.123 1.00 0.00 H new ATOM 0 HE ARG A 94 -7.501 1.823 1.145 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -8.685 2.945 -1.986 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -9.491 4.361 -1.304 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -8.540 3.645 2.014 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -9.409 4.756 0.950 1.00 0.00 H new ATOM 1447 N ALA A 95 -6.122 -3.903 -1.746 1.00 0.00 N ATOM 1448 CA ALA A 95 -6.422 -5.067 -2.571 1.00 0.00 C ATOM 1449 C ALA A 95 -7.634 -4.812 -3.460 1.00 0.00 C ATOM 1450 O ALA A 95 -8.690 -4.393 -2.983 1.00 0.00 O ATOM 1451 CB ALA A 95 -6.657 -6.288 -1.693 1.00 0.00 C ATOM 0 H ALA A 95 -6.637 -3.865 -0.867 1.00 0.00 H new ATOM 0 HA ALA A 95 -5.564 -5.256 -3.217 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -6.880 -7.150 -2.321 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -5.763 -6.490 -1.104 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -7.497 -6.099 -1.024 1.00 0.00 H new ATOM 1457 N LEU A 96 -7.476 -5.067 -4.754 1.00 0.00 N ATOM 1458 CA LEU A 96 -8.558 -4.864 -5.712 1.00 0.00 C ATOM 1459 C LEU A 96 -8.856 -6.148 -6.477 1.00 0.00 C ATOM 1460 O LEU A 96 -7.989 -6.691 -7.160 1.00 0.00 O ATOM 1461 CB LEU A 96 -8.195 -3.746 -6.691 1.00 0.00 C ATOM 1462 CG LEU A 96 -8.527 -2.324 -6.240 1.00 0.00 C ATOM 1463 CD1 LEU A 96 -7.355 -1.718 -5.482 1.00 0.00 C ATOM 1464 CD2 LEU A 96 -8.897 -1.457 -7.434 1.00 0.00 C ATOM 0 H LEU A 96 -6.609 -5.415 -5.164 1.00 0.00 H new ATOM 0 HA LEU A 96 -9.452 -4.578 -5.158 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -7.125 -3.801 -6.893 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -8.708 -3.936 -7.634 1.00 0.00 H new ATOM 0 HG LEU A 96 -9.385 -2.368 -5.569 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -7.609 -0.705 -5.168 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -7.136 -2.326 -4.604 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -6.479 -1.688 -6.130 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -9.130 -0.448 -7.093 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -8.059 -1.420 -8.130 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -9.767 -1.881 -7.935 1.00 0.00 H new ATOM 1476 N ASN A 97 -10.089 -6.629 -6.357 1.00 0.00 N ATOM 1477 CA ASN A 97 -10.503 -7.851 -7.039 1.00 0.00 C ATOM 1478 C ASN A 97 -11.719 -7.595 -7.923 1.00 0.00 C ATOM 1479 O ASN A 97 -12.144 -6.452 -8.097 1.00 0.00 O ATOM 1480 CB ASN A 97 -10.822 -8.946 -6.018 1.00 0.00 C ATOM 1481 CG ASN A 97 -12.133 -8.700 -5.297 1.00 0.00 C ATOM 1482 OD1 ASN A 97 -12.696 -7.607 -5.363 1.00 0.00 O ATOM 1483 ND2 ASN A 97 -12.625 -9.720 -4.602 1.00 0.00 N ATOM 0 H ASN A 97 -10.819 -6.192 -5.794 1.00 0.00 H new ATOM 0 HA ASN A 97 -9.679 -8.182 -7.672 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -10.865 -9.910 -6.525 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -10.015 -9.005 -5.288 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -13.504 -9.615 -4.095 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -12.124 -10.608 -4.576 1.00 0.00 H new ATOM 1490 N MET A 98 -12.277 -8.666 -8.479 1.00 0.00 N ATOM 1491 CA MET A 98 -13.445 -8.557 -9.344 1.00 0.00 C ATOM 1492 C MET A 98 -14.681 -8.164 -8.540 1.00 0.00 C ATOM 1493 O MET A 98 -15.779 -8.048 -9.088 1.00 0.00 O ATOM 1494 CB MET A 98 -13.694 -9.880 -10.069 1.00 0.00 C ATOM 1495 CG MET A 98 -13.913 -11.056 -9.131 1.00 0.00 C ATOM 1496 SD MET A 98 -14.048 -12.627 -10.005 1.00 0.00 S ATOM 1497 CE MET A 98 -15.798 -12.653 -10.388 1.00 0.00 C ATOM 0 H MET A 98 -11.939 -9.619 -8.345 1.00 0.00 H new ATOM 0 HA MET A 98 -13.249 -7.778 -10.081 1.00 0.00 H new ATOM 0 HB2 MET A 98 -14.566 -9.773 -10.714 1.00 0.00 H new ATOM 0 HB3 MET A 98 -12.844 -10.096 -10.716 1.00 0.00 H new ATOM 0 HG2 MET A 98 -13.087 -11.109 -8.422 1.00 0.00 H new ATOM 0 HG3 MET A 98 -14.820 -10.889 -8.551 1.00 0.00 H new ATOM 0 HE1 MET A 98 -16.091 -13.660 -10.685 1.00 0.00 H new ATOM 0 HE2 MET A 98 -16.368 -12.354 -9.508 1.00 0.00 H new ATOM 0 HE3 MET A 98 -16.002 -11.961 -11.205 1.00 0.00 H new ATOM 1507 N LEU A 99 -14.496 -7.960 -7.241 1.00 0.00 N ATOM 1508 CA LEU A 99 -15.597 -7.579 -6.362 1.00 0.00 C ATOM 1509 C LEU A 99 -15.462 -6.127 -5.917 1.00 0.00 C ATOM 1510 O LEU A 99 -16.452 -5.469 -5.601 1.00 0.00 O ATOM 1511 CB LEU A 99 -15.639 -8.497 -5.139 1.00 0.00 C ATOM 1512 CG LEU A 99 -15.650 -9.999 -5.427 1.00 0.00 C ATOM 1513 CD1 LEU A 99 -15.870 -10.786 -4.144 1.00 0.00 C ATOM 1514 CD2 LEU A 99 -16.721 -10.338 -6.453 1.00 0.00 C ATOM 0 H LEU A 99 -13.595 -8.052 -6.772 1.00 0.00 H new ATOM 0 HA LEU A 99 -16.528 -7.683 -6.920 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -14.775 -8.274 -4.512 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -16.527 -8.253 -4.556 1.00 0.00 H new ATOM 0 HG LEU A 99 -14.680 -10.278 -5.839 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -15.875 -11.853 -4.368 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -15.067 -10.567 -3.440 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -16.826 -10.503 -3.703 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -16.714 -11.411 -6.645 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -17.698 -10.044 -6.069 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -16.519 -9.802 -7.380 1.00 0.00 H new ATOM 1526 N GLY A 100 -14.228 -5.631 -5.897 1.00 0.00 N ATOM 1527 CA GLY A 100 -13.986 -4.259 -5.492 1.00 0.00 C ATOM 1528 C GLY A 100 -12.632 -4.078 -4.835 1.00 0.00 C ATOM 1529 O GLY A 100 -11.750 -4.926 -4.974 1.00 0.00 O ATOM 0 H GLY A 100 -13.392 -6.155 -6.154 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -14.053 -3.609 -6.364 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -14.767 -3.945 -4.800 1.00 0.00 H new ATOM 1533 N GLU A 101 -12.465 -2.970 -4.121 1.00 0.00 N ATOM 1534 CA GLU A 101 -11.207 -2.681 -3.443 1.00 0.00 C ATOM 1535 C GLU A 101 -11.347 -2.862 -1.935 1.00 0.00 C ATOM 1536 O GLU A 101 -12.449 -2.801 -1.391 1.00 0.00 O ATOM 1537 CB GLU A 101 -10.750 -1.255 -3.756 1.00 0.00 C ATOM 1538 CG GLU A 101 -11.628 -0.183 -3.132 1.00 0.00 C ATOM 1539 CD GLU A 101 -12.827 0.162 -3.994 1.00 0.00 C ATOM 1540 OE1 GLU A 101 -13.199 -0.663 -4.853 1.00 0.00 O ATOM 1541 OE2 GLU A 101 -13.394 1.260 -3.807 1.00 0.00 O ATOM 0 H GLU A 101 -13.185 -2.258 -3.997 1.00 0.00 H new ATOM 0 HA GLU A 101 -10.458 -3.384 -3.807 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -9.727 -1.125 -3.404 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -10.735 -1.116 -4.837 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -11.973 -0.524 -2.156 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -11.035 0.716 -2.965 1.00 0.00 H new ATOM 1548 N SER A 102 -10.222 -3.087 -1.265 1.00 0.00 N ATOM 1549 CA SER A 102 -10.218 -3.283 0.180 1.00 0.00 C ATOM 1550 C SER A 102 -9.897 -1.979 0.904 1.00 0.00 C ATOM 1551 O SER A 102 -9.595 -0.965 0.274 1.00 0.00 O ATOM 1552 CB SER A 102 -9.201 -4.357 0.569 1.00 0.00 C ATOM 1553 OG SER A 102 -7.875 -3.868 0.462 1.00 0.00 O ATOM 0 H SER A 102 -9.301 -3.138 -1.700 1.00 0.00 H new ATOM 0 HA SER A 102 -11.214 -3.610 0.479 1.00 0.00 H new ATOM 0 HB2 SER A 102 -9.389 -4.687 1.591 1.00 0.00 H new ATOM 0 HB3 SER A 102 -9.324 -5.228 -0.075 1.00 0.00 H new ATOM 0 HG SER A 102 -7.660 -3.330 1.253 1.00 0.00 H new ATOM 1559 N GLU A 103 -9.967 -2.013 2.231 1.00 0.00 N ATOM 1560 CA GLU A 103 -9.685 -0.833 3.041 1.00 0.00 C ATOM 1561 C GLU A 103 -8.206 -0.463 2.967 1.00 0.00 C ATOM 1562 O GLU A 103 -7.348 -1.289 2.653 1.00 0.00 O ATOM 1563 CB GLU A 103 -10.089 -1.077 4.496 1.00 0.00 C ATOM 1564 CG GLU A 103 -11.532 -0.710 4.798 1.00 0.00 C ATOM 1565 CD GLU A 103 -11.888 -0.895 6.261 1.00 0.00 C ATOM 1566 OE1 GLU A 103 -11.806 -2.041 6.750 1.00 0.00 O ATOM 1567 OE2 GLU A 103 -12.248 0.106 6.914 1.00 0.00 O ATOM 0 H GLU A 103 -10.216 -2.844 2.768 1.00 0.00 H new ATOM 0 HA GLU A 103 -10.270 -0.003 2.644 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -9.933 -2.129 4.736 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -9.433 -0.501 5.148 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -11.706 0.328 4.514 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -12.194 -1.323 4.187 1.00 0.00 H new ATOM 1574 N PRO A 104 -7.900 0.808 3.263 1.00 0.00 N ATOM 1575 CA PRO A 104 -6.525 1.318 3.237 1.00 0.00 C ATOM 1576 C PRO A 104 -5.675 0.747 4.367 1.00 0.00 C ATOM 1577 O PRO A 104 -5.889 1.061 5.537 1.00 0.00 O ATOM 1578 CB PRO A 104 -6.703 2.828 3.411 1.00 0.00 C ATOM 1579 CG PRO A 104 -8.002 2.977 4.127 1.00 0.00 C ATOM 1580 CD PRO A 104 -8.870 1.847 3.644 1.00 0.00 C ATOM 0 HA PRO A 104 -6.004 1.040 2.321 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -5.883 3.260 3.985 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -6.721 3.338 2.448 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -7.861 2.927 5.207 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -8.460 3.942 3.909 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -9.546 1.498 4.425 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -9.488 2.149 2.798 1.00 0.00 H new ATOM 1588 N SER A 105 -4.707 -0.091 4.008 1.00 0.00 N ATOM 1589 CA SER A 105 -3.826 -0.707 4.992 1.00 0.00 C ATOM 1590 C SER A 105 -3.239 0.344 5.930 1.00 0.00 C ATOM 1591 O SER A 105 -3.115 1.513 5.570 1.00 0.00 O ATOM 1592 CB SER A 105 -2.698 -1.469 4.292 1.00 0.00 C ATOM 1593 OG SER A 105 -1.697 -0.582 3.826 1.00 0.00 O ATOM 0 H SER A 105 -4.514 -0.358 3.043 1.00 0.00 H new ATOM 0 HA SER A 105 -4.416 -1.407 5.583 1.00 0.00 H new ATOM 0 HB2 SER A 105 -2.258 -2.189 4.982 1.00 0.00 H new ATOM 0 HB3 SER A 105 -3.103 -2.037 3.455 1.00 0.00 H new ATOM 0 HG SER A 105 -1.021 -0.456 4.524 1.00 0.00 H new ATOM 1599 N ALA A 106 -2.880 -0.084 7.136 1.00 0.00 N ATOM 1600 CA ALA A 106 -2.305 0.819 8.127 1.00 0.00 C ATOM 1601 C ALA A 106 -1.200 1.673 7.514 1.00 0.00 C ATOM 1602 O ALA A 106 -0.405 1.208 6.697 1.00 0.00 O ATOM 1603 CB ALA A 106 -1.769 0.029 9.311 1.00 0.00 C ATOM 0 H ALA A 106 -2.977 -1.049 7.451 1.00 0.00 H new ATOM 0 HA ALA A 106 -3.093 1.486 8.476 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -1.343 0.715 10.043 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -2.582 -0.534 9.771 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -0.998 -0.661 8.969 1.00 0.00 H new ATOM 1609 N PRO A 107 -1.148 2.951 7.917 1.00 0.00 N ATOM 1610 CA PRO A 107 -0.143 3.897 7.420 1.00 0.00 C ATOM 1611 C PRO A 107 1.257 3.577 7.929 1.00 0.00 C ATOM 1612 O PRO A 107 1.618 3.938 9.049 1.00 0.00 O ATOM 1613 CB PRO A 107 -0.619 5.243 7.974 1.00 0.00 C ATOM 1614 CG PRO A 107 -1.412 4.894 9.186 1.00 0.00 C ATOM 1615 CD PRO A 107 -2.063 3.572 8.888 1.00 0.00 C ATOM 0 HA PRO A 107 -0.062 3.872 6.333 1.00 0.00 H new ATOM 0 HB2 PRO A 107 0.223 5.888 8.224 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -1.226 5.779 7.244 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -0.771 4.824 10.065 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -2.160 5.659 9.397 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -2.168 2.964 9.787 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -3.062 3.701 8.472 1.00 0.00 H new ATOM 1623 N SER A 108 2.042 2.895 7.101 1.00 0.00 N ATOM 1624 CA SER A 108 3.403 2.524 7.469 1.00 0.00 C ATOM 1625 C SER A 108 4.134 3.701 8.107 1.00 0.00 C ATOM 1626 O SER A 108 3.694 4.846 8.008 1.00 0.00 O ATOM 1627 CB SER A 108 4.172 2.037 6.239 1.00 0.00 C ATOM 1628 OG SER A 108 4.446 3.108 5.353 1.00 0.00 O ATOM 0 H SER A 108 1.758 2.588 6.170 1.00 0.00 H new ATOM 0 HA SER A 108 3.348 1.715 8.198 1.00 0.00 H new ATOM 0 HB2 SER A 108 5.107 1.571 6.551 1.00 0.00 H new ATOM 0 HB3 SER A 108 3.592 1.273 5.722 1.00 0.00 H new ATOM 0 HG SER A 108 5.307 3.513 5.586 1.00 0.00 H new ATOM 1634 N ARG A 109 5.253 3.409 8.762 1.00 0.00 N ATOM 1635 CA ARG A 109 6.046 4.442 9.417 1.00 0.00 C ATOM 1636 C ARG A 109 6.491 5.505 8.416 1.00 0.00 C ATOM 1637 O ARG A 109 6.650 5.240 7.224 1.00 0.00 O ATOM 1638 CB ARG A 109 7.269 3.823 10.097 1.00 0.00 C ATOM 1639 CG ARG A 109 6.922 2.730 11.095 1.00 0.00 C ATOM 1640 CD ARG A 109 8.103 2.404 11.996 1.00 0.00 C ATOM 1641 NE ARG A 109 8.957 1.366 11.426 1.00 0.00 N ATOM 1642 CZ ARG A 109 9.909 1.608 10.531 1.00 0.00 C ATOM 1643 NH1 ARG A 109 10.128 2.845 10.108 1.00 0.00 N ATOM 1644 NH2 ARG A 109 10.645 0.610 10.058 1.00 0.00 N ATOM 0 H ARG A 109 5.631 2.466 8.853 1.00 0.00 H new ATOM 0 HA ARG A 109 5.421 4.918 10.172 1.00 0.00 H new ATOM 0 HB2 ARG A 109 7.929 3.410 9.334 1.00 0.00 H new ATOM 0 HB3 ARG A 109 7.826 4.608 10.609 1.00 0.00 H new ATOM 0 HG2 ARG A 109 6.075 3.047 11.704 1.00 0.00 H new ATOM 0 HG3 ARG A 109 6.612 1.832 10.560 1.00 0.00 H new ATOM 0 HD2 ARG A 109 8.691 3.306 12.163 1.00 0.00 H new ATOM 0 HD3 ARG A 109 7.737 2.078 12.969 1.00 0.00 H new ATOM 0 HE ARG A 109 8.815 0.403 11.731 1.00 0.00 H new ATOM 0 HH11 ARG A 109 9.565 3.615 10.470 1.00 0.00 H new ATOM 0 HH12 ARG A 109 10.860 3.027 9.421 1.00 0.00 H new ATOM 0 HH21 ARG A 109 10.480 -0.343 10.381 1.00 0.00 H new ATOM 0 HH22 ARG A 109 11.376 0.796 9.371 1.00 0.00 H new ATOM 1658 N PRO A 110 6.696 6.735 8.910 1.00 0.00 N ATOM 1659 CA PRO A 110 7.125 7.861 8.075 1.00 0.00 C ATOM 1660 C PRO A 110 8.563 7.709 7.591 1.00 0.00 C ATOM 1661 O PRO A 110 9.487 7.577 8.393 1.00 0.00 O ATOM 1662 CB PRO A 110 7.001 9.065 9.013 1.00 0.00 C ATOM 1663 CG PRO A 110 7.136 8.493 10.382 1.00 0.00 C ATOM 1664 CD PRO A 110 6.526 7.121 10.320 1.00 0.00 C ATOM 0 HA PRO A 110 6.527 7.947 7.167 1.00 0.00 H new ATOM 0 HB2 PRO A 110 7.777 9.804 8.814 1.00 0.00 H new ATOM 0 HB3 PRO A 110 6.042 9.568 8.887 1.00 0.00 H new ATOM 0 HG2 PRO A 110 8.183 8.441 10.682 1.00 0.00 H new ATOM 0 HG3 PRO A 110 6.624 9.115 11.117 1.00 0.00 H new ATOM 0 HD2 PRO A 110 7.031 6.426 10.991 1.00 0.00 H new ATOM 0 HD3 PRO A 110 5.475 7.135 10.609 1.00 0.00 H new ATOM 1672 N TYR A 111 8.744 7.728 6.275 1.00 0.00 N ATOM 1673 CA TYR A 111 10.071 7.590 5.684 1.00 0.00 C ATOM 1674 C TYR A 111 10.508 8.890 5.016 1.00 0.00 C ATOM 1675 O TYR A 111 9.843 9.389 4.109 1.00 0.00 O ATOM 1676 CB TYR A 111 10.081 6.451 4.663 1.00 0.00 C ATOM 1677 CG TYR A 111 11.462 6.107 4.154 1.00 0.00 C ATOM 1678 CD1 TYR A 111 12.251 5.168 4.806 1.00 0.00 C ATOM 1679 CD2 TYR A 111 11.979 6.722 3.020 1.00 0.00 C ATOM 1680 CE1 TYR A 111 13.514 4.851 4.344 1.00 0.00 C ATOM 1681 CE2 TYR A 111 13.240 6.411 2.550 1.00 0.00 C ATOM 1682 CZ TYR A 111 14.004 5.475 3.216 1.00 0.00 C ATOM 1683 OH TYR A 111 15.261 5.164 2.752 1.00 0.00 O ATOM 0 H TYR A 111 7.990 7.837 5.597 1.00 0.00 H new ATOM 0 HA TYR A 111 10.775 7.359 6.484 1.00 0.00 H new ATOM 0 HB2 TYR A 111 9.639 5.564 5.116 1.00 0.00 H new ATOM 0 HB3 TYR A 111 9.450 6.726 3.818 1.00 0.00 H new ATOM 0 HD1 TYR A 111 11.871 4.677 5.690 1.00 0.00 H new ATOM 0 HD2 TYR A 111 11.384 7.456 2.497 1.00 0.00 H new ATOM 0 HE1 TYR A 111 14.114 4.119 4.863 1.00 0.00 H new ATOM 0 HE2 TYR A 111 13.626 6.898 1.666 1.00 0.00 H new ATOM 0 HH TYR A 111 15.453 5.691 1.949 1.00 0.00 H new ATOM 1693 N VAL A 112 11.631 9.434 5.473 1.00 0.00 N ATOM 1694 CA VAL A 112 12.159 10.675 4.921 1.00 0.00 C ATOM 1695 C VAL A 112 13.200 10.397 3.841 1.00 0.00 C ATOM 1696 O VAL A 112 14.330 10.008 4.138 1.00 0.00 O ATOM 1697 CB VAL A 112 12.794 11.552 6.016 1.00 0.00 C ATOM 1698 CG1 VAL A 112 13.300 12.860 5.427 1.00 0.00 C ATOM 1699 CG2 VAL A 112 11.796 11.812 7.135 1.00 0.00 C ATOM 0 H VAL A 112 12.193 9.034 6.225 1.00 0.00 H new ATOM 0 HA VAL A 112 11.317 11.209 4.482 1.00 0.00 H new ATOM 0 HB VAL A 112 13.646 11.018 6.436 1.00 0.00 H new ATOM 0 HG11 VAL A 112 13.745 13.466 6.216 1.00 0.00 H new ATOM 0 HG12 VAL A 112 14.050 12.650 4.664 1.00 0.00 H new ATOM 0 HG13 VAL A 112 12.468 13.403 4.978 1.00 0.00 H new ATOM 0 HG21 VAL A 112 12.261 12.433 7.900 1.00 0.00 H new ATOM 0 HG22 VAL A 112 10.923 12.326 6.732 1.00 0.00 H new ATOM 0 HG23 VAL A 112 11.488 10.864 7.575 1.00 0.00 H new ATOM 1709 N VAL A 113 12.811 10.600 2.586 1.00 0.00 N ATOM 1710 CA VAL A 113 13.710 10.372 1.461 1.00 0.00 C ATOM 1711 C VAL A 113 14.743 11.487 1.350 1.00 0.00 C ATOM 1712 O VAL A 113 14.419 12.614 0.977 1.00 0.00 O ATOM 1713 CB VAL A 113 12.935 10.273 0.135 1.00 0.00 C ATOM 1714 CG1 VAL A 113 13.871 10.467 -1.048 1.00 0.00 C ATOM 1715 CG2 VAL A 113 12.213 8.936 0.039 1.00 0.00 C ATOM 0 H VAL A 113 11.879 10.922 2.323 1.00 0.00 H new ATOM 0 HA VAL A 113 14.218 9.426 1.648 1.00 0.00 H new ATOM 0 HB VAL A 113 12.189 11.067 0.111 1.00 0.00 H new ATOM 0 HG11 VAL A 113 13.304 10.393 -1.976 1.00 0.00 H new ATOM 0 HG12 VAL A 113 14.338 11.450 -0.985 1.00 0.00 H new ATOM 0 HG13 VAL A 113 14.642 9.697 -1.032 1.00 0.00 H new ATOM 0 HG21 VAL A 113 11.670 8.883 -0.905 1.00 0.00 H new ATOM 0 HG22 VAL A 113 12.940 8.126 0.085 1.00 0.00 H new ATOM 0 HG23 VAL A 113 11.511 8.841 0.867 1.00 0.00 H new ATOM 1725 N SER A 114 15.991 11.165 1.677 1.00 0.00 N ATOM 1726 CA SER A 114 17.074 12.140 1.617 1.00 0.00 C ATOM 1727 C SER A 114 18.010 11.842 0.449 1.00 0.00 C ATOM 1728 O SER A 114 17.985 10.751 -0.118 1.00 0.00 O ATOM 1729 CB SER A 114 17.860 12.141 2.929 1.00 0.00 C ATOM 1730 OG SER A 114 18.597 13.343 3.081 1.00 0.00 O ATOM 0 H SER A 114 16.277 10.236 1.986 1.00 0.00 H new ATOM 0 HA SER A 114 16.635 13.126 1.464 1.00 0.00 H new ATOM 0 HB2 SER A 114 17.174 12.023 3.768 1.00 0.00 H new ATOM 0 HB3 SER A 114 18.539 11.289 2.950 1.00 0.00 H new ATOM 0 HG SER A 114 19.089 13.320 3.928 1.00 0.00 H new