USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 664 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 76 ASN : amide:sc= -3.24! C(o=-7.7!,f=-17!) USER MOD Set 1.2: A 100 SER OG : rot 50:sc= -4.51! USER MOD Set 2.1: A 50 TYR OH : rot 180:sc=-0.00409 USER MOD Set 2.2: A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.539 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.0108 X(o=-0.011,f=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0156 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 41 GLN :FLIP amide:sc= 0.385 F(o=-0.99,f=0.38) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.0184 K(o=-0.018,f=-0.81) USER MOD Single : A 67 GLN : amide:sc=-0.00976 X(o=-0.0098,f=0) USER MOD Single : A 74 SER OG : rot 180:sc= -0.0403 USER MOD Single : A 78 GLN : amide:sc= -2.32! C(o=-2.3!,f=-3.2!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.0177 K(o=-0.018,f=-1.1) USER MOD Single : A 85 HIS : no HD1:sc= -0.0331 X(o=-0.033,f=0) USER MOD Single : A 86 GLN : amide:sc= 0.0646 X(o=0.065,f=0) USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -2.25 K(o=-2.2,f=-3.6) USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 196 N VAL A 16 -7.388 1.052 1.656 1.00 0.00 N ATOM 197 CA VAL A 16 -6.036 0.518 1.538 1.00 0.00 C ATOM 198 C VAL A 16 -5.869 -0.743 2.378 1.00 0.00 C ATOM 199 O VAL A 16 -6.498 -0.894 3.426 1.00 0.00 O ATOM 200 CB VAL A 16 -4.983 1.555 1.973 1.00 0.00 C ATOM 201 CG1 VAL A 16 -5.553 2.482 3.035 1.00 0.00 C ATOM 202 CG2 VAL A 16 -3.728 0.859 2.478 1.00 0.00 C ATOM 0 HA VAL A 16 -5.882 0.274 0.487 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.713 2.158 1.107 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.795 3.207 3.330 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.420 3.006 2.633 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.853 1.898 3.905 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.995 1.606 2.781 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.979 0.230 3.332 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.310 0.241 1.683 1.00 0.00 H new ATOM 212 N THR A 17 -5.015 -1.649 1.912 1.00 0.00 N ATOM 213 CA THR A 17 -4.764 -2.899 2.619 1.00 0.00 C ATOM 214 C THR A 17 -3.334 -3.378 2.398 1.00 0.00 C ATOM 215 O THR A 17 -2.639 -2.893 1.506 1.00 0.00 O ATOM 216 CB THR A 17 -5.739 -4.003 2.170 1.00 0.00 C ATOM 217 OG1 THR A 17 -5.357 -4.501 0.883 1.00 0.00 O ATOM 218 CG2 THR A 17 -7.165 -3.476 2.114 1.00 0.00 C ATOM 0 H THR A 17 -4.485 -1.540 1.047 1.00 0.00 H new ATOM 0 HA THR A 17 -4.917 -2.699 3.680 1.00 0.00 H new ATOM 0 HB THR A 17 -5.697 -4.813 2.899 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.981 -5.204 0.606 1.00 0.00 H new ATOM 0 HG21 THR A 17 -7.835 -4.274 1.794 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.463 -3.126 3.102 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.220 -2.650 1.405 1.00 0.00 H new ATOM 226 N GLU A 18 -2.902 -4.333 3.215 1.00 0.00 N ATOM 227 CA GLU A 18 -1.553 -4.878 3.107 1.00 0.00 C ATOM 228 C GLU A 18 -1.593 -6.369 2.786 1.00 0.00 C ATOM 229 O GLU A 18 -2.315 -7.133 3.425 1.00 0.00 O ATOM 230 CB GLU A 18 -0.780 -4.645 4.407 1.00 0.00 C ATOM 231 CG GLU A 18 -0.281 -3.219 4.571 1.00 0.00 C ATOM 232 CD GLU A 18 -0.069 -2.840 6.024 1.00 0.00 C ATOM 233 OE1 GLU A 18 -1.029 -2.952 6.814 1.00 0.00 O ATOM 234 OE2 GLU A 18 1.059 -2.431 6.371 1.00 0.00 O ATOM 0 H GLU A 18 -3.466 -4.745 3.958 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.044 -4.362 2.293 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.422 -4.896 5.251 1.00 0.00 H new ATOM 0 HB3 GLU A 18 0.071 -5.325 4.441 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.657 -3.101 4.028 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.998 -2.533 4.121 1.00 0.00 H new ATOM 241 N GLU A 19 -0.811 -6.775 1.790 1.00 0.00 N ATOM 242 CA GLU A 19 -0.757 -8.174 1.383 1.00 0.00 C ATOM 243 C GLU A 19 0.675 -8.595 1.067 1.00 0.00 C ATOM 244 O GLU A 19 1.478 -7.792 0.594 1.00 0.00 O ATOM 245 CB GLU A 19 -1.650 -8.408 0.163 1.00 0.00 C ATOM 246 CG GLU A 19 -1.775 -9.870 -0.230 1.00 0.00 C ATOM 247 CD GLU A 19 -2.853 -10.594 0.553 1.00 0.00 C ATOM 248 OE1 GLU A 19 -4.026 -10.173 0.477 1.00 0.00 O ATOM 249 OE2 GLU A 19 -2.523 -11.583 1.241 1.00 0.00 O ATOM 0 H GLU A 19 -0.207 -6.155 1.251 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.120 -8.781 2.212 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.644 -8.010 0.369 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.251 -7.847 -0.682 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.997 -9.938 -1.295 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.819 -10.368 -0.071 1.00 0.00 H new ATOM 256 N GLU A 20 0.986 -9.860 1.333 1.00 0.00 N ATOM 257 CA GLU A 20 2.322 -10.386 1.079 1.00 0.00 C ATOM 258 C GLU A 20 2.345 -11.217 -0.201 1.00 0.00 C ATOM 259 O GLU A 20 1.757 -12.297 -0.263 1.00 0.00 O ATOM 260 CB GLU A 20 2.793 -11.237 2.260 1.00 0.00 C ATOM 261 CG GLU A 20 4.303 -11.382 2.343 1.00 0.00 C ATOM 262 CD GLU A 20 4.745 -12.211 3.533 1.00 0.00 C ATOM 263 OE1 GLU A 20 4.090 -13.234 3.821 1.00 0.00 O ATOM 264 OE2 GLU A 20 5.748 -11.835 4.177 1.00 0.00 O ATOM 0 H GLU A 20 0.332 -10.538 1.724 1.00 0.00 H new ATOM 0 HA GLU A 20 3.000 -9.541 0.956 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.428 -10.792 3.186 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.345 -12.228 2.184 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.671 -11.844 1.427 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.756 -10.393 2.406 1.00 0.00 H new ATOM 271 N ILE A 21 3.026 -10.704 -1.220 1.00 0.00 N ATOM 272 CA ILE A 21 3.125 -11.398 -2.498 1.00 0.00 C ATOM 273 C ILE A 21 4.378 -12.266 -2.557 1.00 0.00 C ATOM 274 O ILE A 21 5.498 -11.757 -2.575 1.00 0.00 O ATOM 275 CB ILE A 21 3.146 -10.407 -3.677 1.00 0.00 C ATOM 276 CG1 ILE A 21 2.030 -9.373 -3.522 1.00 0.00 C ATOM 277 CG2 ILE A 21 3.008 -11.150 -4.997 1.00 0.00 C ATOM 278 CD1 ILE A 21 0.644 -9.945 -3.721 1.00 0.00 C ATOM 0 H ILE A 21 3.517 -9.811 -1.186 1.00 0.00 H new ATOM 0 HA ILE A 21 2.242 -12.032 -2.582 1.00 0.00 H new ATOM 0 HB ILE A 21 4.103 -9.884 -3.676 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.092 -8.930 -2.528 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.189 -8.569 -4.240 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.025 -10.436 -5.820 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.835 -11.851 -5.108 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.065 -11.697 -5.010 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.097 -9.155 -3.596 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.563 -10.363 -4.724 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.465 -10.730 -2.986 1.00 0.00 H new ATOM 290 N ASN A 22 4.179 -13.580 -2.587 1.00 0.00 N ATOM 291 CA ASN A 22 5.293 -14.520 -2.645 1.00 0.00 C ATOM 292 C ASN A 22 5.609 -14.901 -4.088 1.00 0.00 C ATOM 293 O ASN A 22 4.885 -15.679 -4.709 1.00 0.00 O ATOM 294 CB ASN A 22 4.970 -15.776 -1.833 1.00 0.00 C ATOM 295 CG ASN A 22 4.333 -15.452 -0.495 1.00 0.00 C ATOM 296 OD1 ASN A 22 3.129 -15.629 -0.309 1.00 0.00 O ATOM 297 ND2 ASN A 22 5.141 -14.975 0.444 1.00 0.00 N ATOM 0 H ASN A 22 3.258 -14.018 -2.572 1.00 0.00 H new ATOM 0 HA ASN A 22 6.169 -14.033 -2.216 1.00 0.00 H new ATOM 0 HB2 ASN A 22 4.298 -16.414 -2.407 1.00 0.00 H new ATOM 0 HB3 ASN A 22 5.885 -16.344 -1.668 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.770 -14.739 1.364 1.00 0.00 H new ATOM 0 HD22 ASN A 22 6.133 -14.845 0.245 1.00 0.00 H new ATOM 304 N LEU A 23 6.696 -14.348 -4.615 1.00 0.00 N ATOM 305 CA LEU A 23 7.110 -14.630 -5.985 1.00 0.00 C ATOM 306 C LEU A 23 8.463 -15.335 -6.011 1.00 0.00 C ATOM 307 O LEU A 23 9.278 -15.173 -5.102 1.00 0.00 O ATOM 308 CB LEU A 23 7.183 -13.333 -6.793 1.00 0.00 C ATOM 309 CG LEU A 23 5.873 -12.557 -6.936 1.00 0.00 C ATOM 310 CD1 LEU A 23 6.105 -11.251 -7.679 1.00 0.00 C ATOM 311 CD2 LEU A 23 4.827 -13.401 -7.650 1.00 0.00 C ATOM 0 H LEU A 23 7.306 -13.702 -4.115 1.00 0.00 H new ATOM 0 HA LEU A 23 6.368 -15.290 -6.434 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.920 -12.679 -6.327 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.552 -13.570 -7.791 1.00 0.00 H new ATOM 0 HG LEU A 23 5.501 -12.323 -5.938 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.162 -10.712 -7.771 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.819 -10.640 -7.127 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.501 -11.463 -8.672 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.902 -12.832 -7.742 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.190 -13.667 -8.643 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.639 -14.309 -7.077 1.00 0.00 H new ATOM 323 N THR A 24 8.696 -16.117 -7.060 1.00 0.00 N ATOM 324 CA THR A 24 9.950 -16.846 -7.206 1.00 0.00 C ATOM 325 C THR A 24 10.844 -16.198 -8.257 1.00 0.00 C ATOM 326 O THR A 24 10.378 -15.811 -9.329 1.00 0.00 O ATOM 327 CB THR A 24 9.703 -18.316 -7.595 1.00 0.00 C ATOM 328 OG1 THR A 24 8.932 -18.969 -6.580 1.00 0.00 O ATOM 329 CG2 THR A 24 11.019 -19.052 -7.792 1.00 0.00 C ATOM 0 H THR A 24 8.033 -16.262 -7.821 1.00 0.00 H new ATOM 0 HA THR A 24 10.449 -16.813 -6.238 1.00 0.00 H new ATOM 0 HB THR A 24 9.152 -18.332 -8.535 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.778 -19.902 -6.836 1.00 0.00 H new ATOM 0 HG21 THR A 24 10.819 -20.088 -8.066 1.00 0.00 H new ATOM 0 HG22 THR A 24 11.590 -18.570 -8.586 1.00 0.00 H new ATOM 0 HG23 THR A 24 11.593 -19.026 -6.866 1.00 0.00 H new ATOM 337 N ARG A 25 12.130 -16.082 -7.943 1.00 0.00 N ATOM 338 CA ARG A 25 13.089 -15.480 -8.860 1.00 0.00 C ATOM 339 C ARG A 25 13.113 -16.227 -10.190 1.00 0.00 C ATOM 340 O ARG A 25 13.089 -17.456 -10.224 1.00 0.00 O ATOM 341 CB ARG A 25 14.488 -15.477 -8.240 1.00 0.00 C ATOM 342 CG ARG A 25 15.529 -14.765 -9.088 1.00 0.00 C ATOM 343 CD ARG A 25 16.205 -15.720 -10.059 1.00 0.00 C ATOM 344 NE ARG A 25 17.316 -16.437 -9.437 1.00 0.00 N ATOM 345 CZ ARG A 25 18.216 -17.133 -10.122 1.00 0.00 C ATOM 346 NH1 ARG A 25 18.138 -17.206 -11.443 1.00 0.00 N ATOM 347 NH2 ARG A 25 19.198 -17.758 -9.485 1.00 0.00 N ATOM 0 H ARG A 25 12.532 -16.397 -7.060 1.00 0.00 H new ATOM 0 HA ARG A 25 12.779 -14.452 -9.046 1.00 0.00 H new ATOM 0 HB2 ARG A 25 14.441 -15.000 -7.261 1.00 0.00 H new ATOM 0 HB3 ARG A 25 14.806 -16.507 -8.078 1.00 0.00 H new ATOM 0 HG2 ARG A 25 15.056 -13.955 -9.643 1.00 0.00 H new ATOM 0 HG3 ARG A 25 16.279 -14.312 -8.440 1.00 0.00 H new ATOM 0 HD2 ARG A 25 15.473 -16.437 -10.431 1.00 0.00 H new ATOM 0 HD3 ARG A 25 16.571 -15.162 -10.921 1.00 0.00 H new ATOM 0 HE ARG A 25 17.405 -16.401 -8.422 1.00 0.00 H new ATOM 0 HH11 ARG A 25 17.385 -16.727 -11.937 1.00 0.00 H new ATOM 0 HH12 ARG A 25 18.831 -17.741 -11.966 1.00 0.00 H new ATOM 0 HH21 ARG A 25 19.262 -17.704 -8.468 1.00 0.00 H new ATOM 0 HH22 ARG A 25 19.889 -18.292 -10.012 1.00 0.00 H new ATOM 400 N LEU A 30 13.169 -11.117 -11.136 1.00 0.00 N ATOM 401 CA LEU A 30 11.782 -11.517 -10.929 1.00 0.00 C ATOM 402 C LEU A 30 10.980 -11.387 -12.220 1.00 0.00 C ATOM 403 O LEU A 30 10.572 -12.385 -12.813 1.00 0.00 O ATOM 404 CB LEU A 30 11.143 -10.666 -9.831 1.00 0.00 C ATOM 405 CG LEU A 30 11.755 -10.801 -8.436 1.00 0.00 C ATOM 406 CD1 LEU A 30 11.382 -9.607 -7.571 1.00 0.00 C ATOM 407 CD2 LEU A 30 11.305 -12.098 -7.779 1.00 0.00 C ATOM 0 HA LEU A 30 11.774 -12.562 -10.621 1.00 0.00 H new ATOM 0 HB2 LEU A 30 11.199 -9.620 -10.131 1.00 0.00 H new ATOM 0 HB3 LEU A 30 10.086 -10.923 -9.769 1.00 0.00 H new ATOM 0 HG LEU A 30 12.840 -10.825 -8.538 1.00 0.00 H new ATOM 0 HD11 LEU A 30 11.826 -9.721 -6.582 1.00 0.00 H new ATOM 0 HD12 LEU A 30 11.754 -8.693 -8.033 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.298 -9.551 -7.477 1.00 0.00 H new ATOM 0 HD21 LEU A 30 11.750 -12.177 -6.787 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.219 -12.103 -7.690 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.623 -12.944 -8.388 1.00 0.00 H new ATOM 419 N GLY A 31 10.759 -10.149 -12.652 1.00 0.00 N ATOM 420 CA GLY A 31 10.009 -9.911 -13.871 1.00 0.00 C ATOM 421 C GLY A 31 9.280 -8.582 -13.853 1.00 0.00 C ATOM 422 O GLY A 31 8.153 -8.477 -14.338 1.00 0.00 O ATOM 0 H GLY A 31 11.086 -9.307 -12.179 1.00 0.00 H new ATOM 0 HA2 GLY A 31 10.688 -9.938 -14.723 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.288 -10.716 -14.013 1.00 0.00 H new ATOM 426 N PHE A 32 9.923 -7.564 -13.291 1.00 0.00 N ATOM 427 CA PHE A 32 9.328 -6.235 -13.210 1.00 0.00 C ATOM 428 C PHE A 32 10.340 -5.216 -12.695 1.00 0.00 C ATOM 429 O PHE A 32 11.305 -5.570 -12.019 1.00 0.00 O ATOM 430 CB PHE A 32 8.101 -6.258 -12.295 1.00 0.00 C ATOM 431 CG PHE A 32 8.405 -6.710 -10.896 1.00 0.00 C ATOM 432 CD1 PHE A 32 8.400 -8.057 -10.572 1.00 0.00 C ATOM 433 CD2 PHE A 32 8.696 -5.788 -9.903 1.00 0.00 C ATOM 434 CE1 PHE A 32 8.680 -8.477 -9.285 1.00 0.00 C ATOM 435 CE2 PHE A 32 8.977 -6.201 -8.615 1.00 0.00 C ATOM 436 CZ PHE A 32 8.968 -7.547 -8.305 1.00 0.00 C ATOM 0 H PHE A 32 10.856 -7.634 -12.885 1.00 0.00 H new ATOM 0 HA PHE A 32 9.020 -5.940 -14.213 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.666 -5.259 -12.259 1.00 0.00 H new ATOM 0 HB3 PHE A 32 7.349 -6.918 -12.726 1.00 0.00 H new ATOM 0 HD1 PHE A 32 8.175 -8.788 -11.334 1.00 0.00 H new ATOM 0 HD2 PHE A 32 8.703 -4.734 -10.139 1.00 0.00 H new ATOM 0 HE1 PHE A 32 8.674 -9.530 -9.046 1.00 0.00 H new ATOM 0 HE2 PHE A 32 9.204 -5.472 -7.851 1.00 0.00 H new ATOM 0 HZ PHE A 32 9.186 -7.872 -7.298 1.00 0.00 H new ATOM 446 N ASN A 33 10.113 -3.948 -13.023 1.00 0.00 N ATOM 447 CA ASN A 33 11.006 -2.877 -12.595 1.00 0.00 C ATOM 448 C ASN A 33 10.481 -2.204 -11.331 1.00 0.00 C ATOM 449 O ASN A 33 9.271 -2.082 -11.136 1.00 0.00 O ATOM 450 CB ASN A 33 11.163 -1.840 -13.710 1.00 0.00 C ATOM 451 CG ASN A 33 12.221 -2.236 -14.722 1.00 0.00 C ATOM 452 OD1 ASN A 33 11.911 -2.541 -15.874 1.00 0.00 O ATOM 453 ND2 ASN A 33 13.478 -2.233 -14.295 1.00 0.00 N ATOM 0 H ASN A 33 9.319 -3.637 -13.583 1.00 0.00 H new ATOM 0 HA ASN A 33 11.979 -3.315 -12.375 1.00 0.00 H new ATOM 0 HB2 ASN A 33 10.208 -1.710 -14.219 1.00 0.00 H new ATOM 0 HB3 ASN A 33 11.425 -0.877 -13.272 1.00 0.00 H new ATOM 0 HD21 ASN A 33 14.233 -2.490 -14.931 1.00 0.00 H new ATOM 0 HD22 ASN A 33 13.689 -1.973 -13.331 1.00 0.00 H new ATOM 460 N ILE A 34 11.399 -1.768 -10.475 1.00 0.00 N ATOM 461 CA ILE A 34 11.029 -1.106 -9.230 1.00 0.00 C ATOM 462 C ILE A 34 11.644 0.287 -9.145 1.00 0.00 C ATOM 463 O ILE A 34 12.737 0.528 -9.657 1.00 0.00 O ATOM 464 CB ILE A 34 11.472 -1.925 -8.003 1.00 0.00 C ATOM 465 CG1 ILE A 34 12.966 -2.244 -8.087 1.00 0.00 C ATOM 466 CG2 ILE A 34 10.656 -3.206 -7.900 1.00 0.00 C ATOM 467 CD1 ILE A 34 13.629 -2.391 -6.736 1.00 0.00 C ATOM 0 H ILE A 34 12.404 -1.861 -10.621 1.00 0.00 H new ATOM 0 HA ILE A 34 9.942 -1.023 -9.228 1.00 0.00 H new ATOM 0 HB ILE A 34 11.297 -1.332 -7.106 1.00 0.00 H new ATOM 0 HG12 ILE A 34 13.101 -3.167 -8.651 1.00 0.00 H new ATOM 0 HG13 ILE A 34 13.467 -1.453 -8.645 1.00 0.00 H new ATOM 0 HG21 ILE A 34 10.980 -3.775 -7.028 1.00 0.00 H new ATOM 0 HG22 ILE A 34 9.600 -2.957 -7.799 1.00 0.00 H new ATOM 0 HG23 ILE A 34 10.803 -3.805 -8.799 1.00 0.00 H new ATOM 0 HD11 ILE A 34 14.687 -2.617 -6.872 1.00 0.00 H new ATOM 0 HD12 ILE A 34 13.525 -1.461 -6.177 1.00 0.00 H new ATOM 0 HD13 ILE A 34 13.153 -3.201 -6.184 1.00 0.00 H new ATOM 479 N VAL A 35 10.933 1.203 -8.493 1.00 0.00 N ATOM 480 CA VAL A 35 11.409 2.572 -8.337 1.00 0.00 C ATOM 481 C VAL A 35 11.451 2.976 -6.868 1.00 0.00 C ATOM 482 O VAL A 35 10.430 2.962 -6.181 1.00 0.00 O ATOM 483 CB VAL A 35 10.520 3.566 -9.107 1.00 0.00 C ATOM 484 CG1 VAL A 35 10.671 3.367 -10.608 1.00 0.00 C ATOM 485 CG2 VAL A 35 9.066 3.418 -8.684 1.00 0.00 C ATOM 0 H VAL A 35 10.025 1.021 -8.065 1.00 0.00 H new ATOM 0 HA VAL A 35 12.418 2.605 -8.748 1.00 0.00 H new ATOM 0 HB VAL A 35 10.843 4.578 -8.865 1.00 0.00 H new ATOM 0 HG11 VAL A 35 10.035 4.078 -11.135 1.00 0.00 H new ATOM 0 HG12 VAL A 35 11.710 3.528 -10.894 1.00 0.00 H new ATOM 0 HG13 VAL A 35 10.376 2.352 -10.872 1.00 0.00 H new ATOM 0 HG21 VAL A 35 8.452 4.128 -9.238 1.00 0.00 H new ATOM 0 HG22 VAL A 35 8.727 2.404 -8.895 1.00 0.00 H new ATOM 0 HG23 VAL A 35 8.976 3.616 -7.616 1.00 0.00 H new ATOM 495 N GLY A 36 12.639 3.336 -6.392 1.00 0.00 N ATOM 496 CA GLY A 36 12.791 3.740 -5.006 1.00 0.00 C ATOM 497 C GLY A 36 14.165 4.312 -4.717 1.00 0.00 C ATOM 498 O GLY A 36 15.019 4.372 -5.600 1.00 0.00 O ATOM 0 H GLY A 36 13.499 3.355 -6.941 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.032 4.484 -4.762 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.615 2.881 -4.359 1.00 0.00 H new ATOM 502 N GLY A 37 14.378 4.736 -3.474 1.00 0.00 N ATOM 503 CA GLY A 37 15.659 5.302 -3.094 1.00 0.00 C ATOM 504 C GLY A 37 15.566 6.781 -2.775 1.00 0.00 C ATOM 505 O GLY A 37 15.115 7.576 -3.601 1.00 0.00 O ATOM 0 H GLY A 37 13.687 4.697 -2.725 1.00 0.00 H new ATOM 0 HA2 GLY A 37 16.045 4.769 -2.225 1.00 0.00 H new ATOM 0 HA3 GLY A 37 16.374 5.152 -3.903 1.00 0.00 H new ATOM 509 N THR A 38 15.994 7.154 -1.573 1.00 0.00 N ATOM 510 CA THR A 38 15.955 8.547 -1.146 1.00 0.00 C ATOM 511 C THR A 38 16.573 9.462 -2.197 1.00 0.00 C ATOM 512 O THR A 38 16.318 10.666 -2.213 1.00 0.00 O ATOM 513 CB THR A 38 16.696 8.746 0.190 1.00 0.00 C ATOM 514 OG1 THR A 38 18.030 8.237 0.091 1.00 0.00 O ATOM 515 CG2 THR A 38 15.963 8.045 1.324 1.00 0.00 C ATOM 0 H THR A 38 16.372 6.510 -0.878 1.00 0.00 H new ATOM 0 HA THR A 38 14.905 8.807 -1.013 1.00 0.00 H new ATOM 0 HB THR A 38 16.731 9.814 0.406 1.00 0.00 H new ATOM 0 HG1 THR A 38 18.495 8.369 0.944 1.00 0.00 H new ATOM 0 HG21 THR A 38 16.504 8.199 2.257 1.00 0.00 H new ATOM 0 HG22 THR A 38 14.957 8.455 1.416 1.00 0.00 H new ATOM 0 HG23 THR A 38 15.901 6.978 1.112 1.00 0.00 H new ATOM 523 N ASP A 39 17.386 8.883 -3.074 1.00 0.00 N ATOM 524 CA ASP A 39 18.039 9.647 -4.131 1.00 0.00 C ATOM 525 C ASP A 39 17.253 9.553 -5.435 1.00 0.00 C ATOM 526 O ASP A 39 17.266 10.478 -6.246 1.00 0.00 O ATOM 527 CB ASP A 39 19.468 9.143 -4.345 1.00 0.00 C ATOM 528 CG ASP A 39 19.510 7.701 -4.810 1.00 0.00 C ATOM 529 OD1 ASP A 39 18.693 6.894 -4.317 1.00 0.00 O ATOM 530 OD2 ASP A 39 20.359 7.379 -5.667 1.00 0.00 O ATOM 0 H ASP A 39 17.609 7.888 -3.074 1.00 0.00 H new ATOM 0 HA ASP A 39 18.072 10.692 -3.823 1.00 0.00 H new ATOM 0 HB2 ASP A 39 19.966 9.774 -5.081 1.00 0.00 H new ATOM 0 HB3 ASP A 39 20.027 9.238 -3.414 1.00 0.00 H new ATOM 535 N GLN A 40 16.571 8.428 -5.629 1.00 0.00 N ATOM 536 CA GLN A 40 15.781 8.214 -6.835 1.00 0.00 C ATOM 537 C GLN A 40 14.293 8.146 -6.507 1.00 0.00 C ATOM 538 O GLN A 40 13.511 7.554 -7.249 1.00 0.00 O ATOM 539 CB GLN A 40 16.219 6.926 -7.535 1.00 0.00 C ATOM 540 CG GLN A 40 17.677 6.934 -7.966 1.00 0.00 C ATOM 541 CD GLN A 40 17.878 7.554 -9.335 1.00 0.00 C ATOM 542 OE1 GLN A 40 17.769 8.770 -9.500 1.00 0.00 O ATOM 543 NE2 GLN A 40 18.173 6.720 -10.325 1.00 0.00 N ATOM 0 H GLN A 40 16.550 7.652 -4.967 1.00 0.00 H new ATOM 0 HA GLN A 40 15.949 9.059 -7.503 1.00 0.00 H new ATOM 0 HB2 GLN A 40 16.051 6.083 -6.865 1.00 0.00 H new ATOM 0 HB3 GLN A 40 15.591 6.767 -8.411 1.00 0.00 H new ATOM 0 HG2 GLN A 40 18.266 7.484 -7.232 1.00 0.00 H new ATOM 0 HG3 GLN A 40 18.055 5.912 -7.975 1.00 0.00 H new ATOM 0 HE21 GLN A 40 18.253 5.720 -10.142 1.00 0.00 H new ATOM 0 HE22 GLN A 40 18.319 7.080 -11.268 1.00 0.00 H new ATOM 552 N GLN A 41 13.910 8.756 -5.390 1.00 0.00 N ATOM 553 CA GLN A 41 12.516 8.764 -4.963 1.00 0.00 C ATOM 554 C GLN A 41 11.588 9.044 -6.140 1.00 0.00 C ATOM 555 O GLN A 41 11.582 10.145 -6.691 1.00 0.00 O ATOM 556 CB GLN A 41 12.301 9.811 -3.869 1.00 0.00 C ATOM 557 CG GLN A 41 13.074 9.524 -2.591 1.00 0.00 C ATOM 558 CD GLN A 41 12.816 10.554 -1.509 1.00 0.00 C ATOM 559 OE1 GLN A 41 11.545 10.794 -1.210 1.00 0.00 O flip ATOM 560 NE2 GLN A 41 13.749 11.129 -0.948 1.00 0.00 N flip ATOM 0 H GLN A 41 14.546 9.251 -4.764 1.00 0.00 H new ATOM 0 HA GLN A 41 12.279 7.778 -4.563 1.00 0.00 H new ATOM 0 HB2 GLN A 41 12.596 10.789 -4.250 1.00 0.00 H new ATOM 0 HB3 GLN A 41 11.238 9.867 -3.636 1.00 0.00 H new ATOM 0 HG2 GLN A 41 12.801 8.536 -2.220 1.00 0.00 H new ATOM 0 HG3 GLN A 41 14.141 9.497 -2.814 1.00 0.00 H new ATOM 0 HE21 GLN A 41 14.711 10.914 -1.209 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.560 11.820 -0.222 1.00 0.00 H new ATOM 569 N TYR A 42 10.806 8.040 -6.522 1.00 0.00 N ATOM 570 CA TYR A 42 9.876 8.177 -7.636 1.00 0.00 C ATOM 571 C TYR A 42 9.061 9.461 -7.511 1.00 0.00 C ATOM 572 O TYR A 42 8.766 10.123 -8.506 1.00 0.00 O ATOM 573 CB TYR A 42 8.939 6.970 -7.697 1.00 0.00 C ATOM 574 CG TYR A 42 8.230 6.819 -9.024 1.00 0.00 C ATOM 575 CD1 TYR A 42 8.936 6.507 -10.180 1.00 0.00 C ATOM 576 CD2 TYR A 42 6.855 6.989 -9.123 1.00 0.00 C ATOM 577 CE1 TYR A 42 8.293 6.370 -11.394 1.00 0.00 C ATOM 578 CE2 TYR A 42 6.203 6.851 -10.333 1.00 0.00 C ATOM 579 CZ TYR A 42 6.927 6.542 -11.466 1.00 0.00 C ATOM 580 OH TYR A 42 6.282 6.405 -12.674 1.00 0.00 O ATOM 0 H TYR A 42 10.798 7.123 -6.076 1.00 0.00 H new ATOM 0 HA TYR A 42 10.457 8.225 -8.557 1.00 0.00 H new ATOM 0 HB2 TYR A 42 9.513 6.065 -7.496 1.00 0.00 H new ATOM 0 HB3 TYR A 42 8.195 7.058 -6.905 1.00 0.00 H new ATOM 0 HD1 TYR A 42 10.006 6.369 -10.128 1.00 0.00 H new ATOM 0 HD2 TYR A 42 6.286 7.233 -8.238 1.00 0.00 H new ATOM 0 HE1 TYR A 42 8.857 6.129 -12.283 1.00 0.00 H new ATOM 0 HE2 TYR A 42 5.133 6.984 -10.392 1.00 0.00 H new ATOM 0 HH TYR A 42 5.322 6.557 -12.551 1.00 0.00 H new ATOM 590 N VAL A 43 8.701 9.808 -6.279 1.00 0.00 N ATOM 591 CA VAL A 43 7.923 11.014 -6.021 1.00 0.00 C ATOM 592 C VAL A 43 8.469 11.774 -4.819 1.00 0.00 C ATOM 593 O VAL A 43 9.000 11.177 -3.882 1.00 0.00 O ATOM 594 CB VAL A 43 6.439 10.681 -5.774 1.00 0.00 C ATOM 595 CG1 VAL A 43 5.573 11.913 -5.989 1.00 0.00 C ATOM 596 CG2 VAL A 43 5.992 9.541 -6.675 1.00 0.00 C ATOM 0 H VAL A 43 8.936 9.271 -5.444 1.00 0.00 H new ATOM 0 HA VAL A 43 8.005 11.640 -6.910 1.00 0.00 H new ATOM 0 HB VAL A 43 6.323 10.361 -4.738 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.528 11.659 -5.810 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.879 12.698 -5.298 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.690 12.266 -7.014 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.941 9.319 -6.487 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.121 9.830 -7.718 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.593 8.656 -6.467 1.00 0.00 H new ATOM 606 N SER A 44 8.336 13.097 -4.851 1.00 0.00 N ATOM 607 CA SER A 44 8.820 13.940 -3.764 1.00 0.00 C ATOM 608 C SER A 44 8.201 13.521 -2.434 1.00 0.00 C ATOM 609 O SER A 44 8.808 13.685 -1.377 1.00 0.00 O ATOM 610 CB SER A 44 8.498 15.409 -4.049 1.00 0.00 C ATOM 611 OG SER A 44 8.813 16.225 -2.934 1.00 0.00 O ATOM 0 H SER A 44 7.897 13.607 -5.617 1.00 0.00 H new ATOM 0 HA SER A 44 9.901 13.818 -3.696 1.00 0.00 H new ATOM 0 HB2 SER A 44 9.060 15.745 -4.920 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.441 15.512 -4.292 1.00 0.00 H new ATOM 0 HG SER A 44 8.600 17.159 -3.141 1.00 0.00 H new ATOM 617 N ASN A 45 6.990 12.979 -2.497 1.00 0.00 N ATOM 618 CA ASN A 45 6.287 12.536 -1.298 1.00 0.00 C ATOM 619 C ASN A 45 6.337 11.016 -1.169 1.00 0.00 C ATOM 620 O ASN A 45 5.745 10.441 -0.256 1.00 0.00 O ATOM 621 CB ASN A 45 4.833 13.008 -1.330 1.00 0.00 C ATOM 622 CG ASN A 45 4.661 14.393 -0.734 1.00 0.00 C ATOM 623 OD1 ASN A 45 4.902 14.603 0.455 1.00 0.00 O ATOM 624 ND2 ASN A 45 4.243 15.344 -1.560 1.00 0.00 N ATOM 0 H ASN A 45 6.474 12.836 -3.365 1.00 0.00 H new ATOM 0 HA ASN A 45 6.785 12.974 -0.433 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.478 13.012 -2.361 1.00 0.00 H new ATOM 0 HB3 ASN A 45 4.212 12.300 -0.782 1.00 0.00 H new ATOM 0 HD21 ASN A 45 4.109 16.295 -1.217 1.00 0.00 H new ATOM 0 HD22 ASN A 45 4.056 15.124 -2.538 1.00 0.00 H new ATOM 631 N ASP A 46 7.049 10.373 -2.088 1.00 0.00 N ATOM 632 CA ASP A 46 7.178 8.920 -2.076 1.00 0.00 C ATOM 633 C ASP A 46 8.646 8.505 -2.109 1.00 0.00 C ATOM 634 O ASP A 46 9.380 8.859 -3.031 1.00 0.00 O ATOM 635 CB ASP A 46 6.436 8.311 -3.266 1.00 0.00 C ATOM 636 CG ASP A 46 5.014 8.824 -3.386 1.00 0.00 C ATOM 637 OD1 ASP A 46 4.632 9.708 -2.589 1.00 0.00 O ATOM 638 OD2 ASP A 46 4.283 8.343 -4.276 1.00 0.00 O ATOM 0 H ASP A 46 7.545 10.834 -2.850 1.00 0.00 H new ATOM 0 HA ASP A 46 6.734 8.548 -1.153 1.00 0.00 H new ATOM 0 HB2 ASP A 46 6.979 8.537 -4.183 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.420 7.226 -3.164 1.00 0.00 H new ATOM 643 N SER A 47 9.066 7.754 -1.096 1.00 0.00 N ATOM 644 CA SER A 47 10.447 7.295 -1.007 1.00 0.00 C ATOM 645 C SER A 47 10.518 5.772 -1.062 1.00 0.00 C ATOM 646 O SER A 47 11.489 5.202 -1.557 1.00 0.00 O ATOM 647 CB SER A 47 11.092 7.800 0.285 1.00 0.00 C ATOM 648 OG SER A 47 10.324 7.430 1.417 1.00 0.00 O ATOM 0 H SER A 47 8.470 7.451 -0.326 1.00 0.00 H new ATOM 0 HA SER A 47 10.993 7.698 -1.860 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.099 7.393 0.376 1.00 0.00 H new ATOM 0 HB3 SER A 47 11.189 8.885 0.247 1.00 0.00 H new ATOM 0 HG SER A 47 10.758 7.763 2.230 1.00 0.00 H new ATOM 654 N GLY A 48 9.479 5.118 -0.550 1.00 0.00 N ATOM 655 CA GLY A 48 9.442 3.667 -0.550 1.00 0.00 C ATOM 656 C GLY A 48 9.697 3.081 -1.924 1.00 0.00 C ATOM 657 O GLY A 48 10.026 3.806 -2.864 1.00 0.00 O ATOM 0 H GLY A 48 8.663 5.567 -0.135 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.189 3.288 0.148 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.469 3.331 -0.190 1.00 0.00 H new ATOM 661 N ILE A 49 9.548 1.766 -2.042 1.00 0.00 N ATOM 662 CA ILE A 49 9.766 1.083 -3.311 1.00 0.00 C ATOM 663 C ILE A 49 8.443 0.791 -4.011 1.00 0.00 C ATOM 664 O ILE A 49 7.564 0.135 -3.452 1.00 0.00 O ATOM 665 CB ILE A 49 10.533 -0.237 -3.116 1.00 0.00 C ATOM 666 CG1 ILE A 49 11.760 -0.014 -2.229 1.00 0.00 C ATOM 667 CG2 ILE A 49 10.944 -0.815 -4.462 1.00 0.00 C ATOM 668 CD1 ILE A 49 12.658 1.104 -2.711 1.00 0.00 C ATOM 0 H ILE A 49 9.277 1.152 -1.274 1.00 0.00 H new ATOM 0 HA ILE A 49 10.363 1.752 -3.931 1.00 0.00 H new ATOM 0 HB ILE A 49 9.876 -0.952 -2.621 1.00 0.00 H new ATOM 0 HG12 ILE A 49 11.429 0.208 -1.214 1.00 0.00 H new ATOM 0 HG13 ILE A 49 12.337 -0.938 -2.181 1.00 0.00 H new ATOM 0 HG21 ILE A 49 11.485 -1.748 -4.307 1.00 0.00 H new ATOM 0 HG22 ILE A 49 10.055 -1.007 -5.062 1.00 0.00 H new ATOM 0 HG23 ILE A 49 11.587 -0.105 -4.982 1.00 0.00 H new ATOM 0 HD11 ILE A 49 13.507 1.206 -2.035 1.00 0.00 H new ATOM 0 HD12 ILE A 49 13.018 0.875 -3.714 1.00 0.00 H new ATOM 0 HD13 ILE A 49 12.097 2.038 -2.732 1.00 0.00 H new ATOM 680 N TYR A 50 8.309 1.281 -5.239 1.00 0.00 N ATOM 681 CA TYR A 50 7.093 1.073 -6.016 1.00 0.00 C ATOM 682 C TYR A 50 7.397 0.331 -7.314 1.00 0.00 C ATOM 683 O TYR A 50 8.549 0.006 -7.603 1.00 0.00 O ATOM 684 CB TYR A 50 6.425 2.413 -6.326 1.00 0.00 C ATOM 685 CG TYR A 50 6.111 3.232 -5.095 1.00 0.00 C ATOM 686 CD1 TYR A 50 7.119 3.872 -4.385 1.00 0.00 C ATOM 687 CD2 TYR A 50 4.804 3.367 -4.641 1.00 0.00 C ATOM 688 CE1 TYR A 50 6.836 4.620 -3.259 1.00 0.00 C ATOM 689 CE2 TYR A 50 4.511 4.114 -3.517 1.00 0.00 C ATOM 690 CZ TYR A 50 5.531 4.738 -2.829 1.00 0.00 C ATOM 691 OH TYR A 50 5.245 5.484 -1.708 1.00 0.00 O ATOM 0 H TYR A 50 9.027 1.825 -5.717 1.00 0.00 H new ATOM 0 HA TYR A 50 6.412 0.464 -5.421 1.00 0.00 H new ATOM 0 HB2 TYR A 50 7.077 2.992 -6.980 1.00 0.00 H new ATOM 0 HB3 TYR A 50 5.502 2.231 -6.876 1.00 0.00 H new ATOM 0 HD1 TYR A 50 8.142 3.783 -4.719 1.00 0.00 H new ATOM 0 HD2 TYR A 50 4.003 2.879 -5.177 1.00 0.00 H new ATOM 0 HE1 TYR A 50 7.632 5.110 -2.718 1.00 0.00 H new ATOM 0 HE2 TYR A 50 3.490 4.209 -3.179 1.00 0.00 H new ATOM 0 HH TYR A 50 4.279 5.467 -1.541 1.00 0.00 H new ATOM 701 N VAL A 51 6.354 0.067 -8.095 1.00 0.00 N ATOM 702 CA VAL A 51 6.508 -0.635 -9.364 1.00 0.00 C ATOM 703 C VAL A 51 6.114 0.257 -10.536 1.00 0.00 C ATOM 704 O VAL A 51 5.054 0.882 -10.525 1.00 0.00 O ATOM 705 CB VAL A 51 5.658 -1.919 -9.402 1.00 0.00 C ATOM 706 CG1 VAL A 51 5.933 -2.705 -10.675 1.00 0.00 C ATOM 707 CG2 VAL A 51 5.926 -2.771 -8.171 1.00 0.00 C ATOM 0 H VAL A 51 5.394 0.329 -7.871 1.00 0.00 H new ATOM 0 HA VAL A 51 7.561 -0.903 -9.452 1.00 0.00 H new ATOM 0 HB VAL A 51 4.605 -1.637 -9.399 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.323 -3.609 -10.684 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.686 -2.092 -11.542 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.987 -2.978 -10.713 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.317 -3.674 -8.214 1.00 0.00 H new ATOM 0 HG22 VAL A 51 6.981 -3.045 -8.141 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.673 -2.205 -7.275 1.00 0.00 H new ATOM 717 N SER A 52 6.974 0.310 -11.548 1.00 0.00 N ATOM 718 CA SER A 52 6.718 1.128 -12.727 1.00 0.00 C ATOM 719 C SER A 52 6.165 0.279 -13.867 1.00 0.00 C ATOM 720 O SER A 52 5.165 0.635 -14.492 1.00 0.00 O ATOM 721 CB SER A 52 8.002 1.830 -13.176 1.00 0.00 C ATOM 722 OG SER A 52 7.775 2.618 -14.331 1.00 0.00 O ATOM 0 H SER A 52 7.854 -0.204 -11.575 1.00 0.00 H new ATOM 0 HA SER A 52 5.974 1.880 -12.462 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.376 2.461 -12.370 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.772 1.088 -13.384 1.00 0.00 H new ATOM 0 HG SER A 52 8.610 3.057 -14.597 1.00 0.00 H new ATOM 728 N ARG A 53 6.822 -0.846 -14.133 1.00 0.00 N ATOM 729 CA ARG A 53 6.397 -1.745 -15.198 1.00 0.00 C ATOM 730 C ARG A 53 6.648 -3.201 -14.813 1.00 0.00 C ATOM 731 O ARG A 53 7.544 -3.498 -14.022 1.00 0.00 O ATOM 732 CB ARG A 53 7.134 -1.416 -16.497 1.00 0.00 C ATOM 733 CG ARG A 53 6.480 -2.007 -17.736 1.00 0.00 C ATOM 734 CD ARG A 53 5.226 -1.238 -18.123 1.00 0.00 C ATOM 735 NE ARG A 53 4.631 -1.748 -19.356 1.00 0.00 N ATOM 736 CZ ARG A 53 5.134 -1.520 -20.564 1.00 0.00 C ATOM 737 NH1 ARG A 53 6.236 -0.795 -20.701 1.00 0.00 N ATOM 738 NH2 ARG A 53 4.536 -2.018 -21.638 1.00 0.00 N ATOM 0 H ARG A 53 7.651 -1.156 -13.625 1.00 0.00 H new ATOM 0 HA ARG A 53 5.327 -1.606 -15.351 1.00 0.00 H new ATOM 0 HB2 ARG A 53 7.191 -0.333 -16.608 1.00 0.00 H new ATOM 0 HB3 ARG A 53 8.158 -1.783 -16.427 1.00 0.00 H new ATOM 0 HG2 ARG A 53 7.188 -1.992 -18.565 1.00 0.00 H new ATOM 0 HG3 ARG A 53 6.226 -3.051 -17.552 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.497 -1.302 -17.315 1.00 0.00 H new ATOM 0 HD3 ARG A 53 5.471 -0.183 -18.248 1.00 0.00 H new ATOM 0 HE ARG A 53 3.783 -2.310 -19.285 1.00 0.00 H new ATOM 0 HH11 ARG A 53 6.699 -0.411 -19.878 1.00 0.00 H new ATOM 0 HH12 ARG A 53 6.620 -0.621 -21.630 1.00 0.00 H new ATOM 0 HH21 ARG A 53 3.689 -2.577 -21.537 1.00 0.00 H new ATOM 0 HH22 ARG A 53 4.923 -1.842 -22.565 1.00 0.00 H new ATOM 752 N ILE A 54 5.852 -4.102 -15.377 1.00 0.00 N ATOM 753 CA ILE A 54 5.989 -5.525 -15.093 1.00 0.00 C ATOM 754 C ILE A 54 6.062 -6.338 -16.381 1.00 0.00 C ATOM 755 O ILE A 54 5.216 -6.200 -17.265 1.00 0.00 O ATOM 756 CB ILE A 54 4.817 -6.044 -14.238 1.00 0.00 C ATOM 757 CG1 ILE A 54 4.835 -5.386 -12.857 1.00 0.00 C ATOM 758 CG2 ILE A 54 4.885 -7.559 -14.110 1.00 0.00 C ATOM 759 CD1 ILE A 54 3.640 -5.745 -12.001 1.00 0.00 C ATOM 0 H ILE A 54 5.106 -3.872 -16.033 1.00 0.00 H new ATOM 0 HA ILE A 54 6.917 -5.647 -14.535 1.00 0.00 H new ATOM 0 HB ILE A 54 3.881 -5.782 -14.732 1.00 0.00 H new ATOM 0 HG12 ILE A 54 5.746 -5.679 -12.336 1.00 0.00 H new ATOM 0 HG13 ILE A 54 4.872 -4.304 -12.980 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.051 -7.911 -13.503 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.829 -8.011 -15.100 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.824 -7.842 -13.634 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.719 -5.243 -11.037 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.725 -5.427 -12.501 1.00 0.00 H new ATOM 0 HD13 ILE A 54 3.613 -6.824 -11.847 1.00 0.00 H new ATOM 771 N LYS A 55 7.079 -7.188 -16.481 1.00 0.00 N ATOM 772 CA LYS A 55 7.263 -8.027 -17.659 1.00 0.00 C ATOM 773 C LYS A 55 5.990 -8.806 -17.977 1.00 0.00 C ATOM 774 O LYS A 55 5.149 -9.019 -17.104 1.00 0.00 O ATOM 775 CB LYS A 55 8.426 -8.998 -17.443 1.00 0.00 C ATOM 776 CG LYS A 55 9.769 -8.447 -17.892 1.00 0.00 C ATOM 777 CD LYS A 55 10.344 -7.479 -16.872 1.00 0.00 C ATOM 778 CE LYS A 55 11.774 -7.093 -17.214 1.00 0.00 C ATOM 779 NZ LYS A 55 12.369 -6.197 -16.184 1.00 0.00 N ATOM 0 H LYS A 55 7.789 -7.314 -15.759 1.00 0.00 H new ATOM 0 HA LYS A 55 7.492 -7.377 -18.504 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.483 -9.254 -16.385 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.222 -9.922 -17.984 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.467 -9.270 -18.048 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.654 -7.941 -18.850 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.725 -6.583 -16.830 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.316 -7.933 -15.882 1.00 0.00 H new ATOM 0 HE2 LYS A 55 12.381 -7.994 -17.306 1.00 0.00 H new ATOM 0 HE3 LYS A 55 11.794 -6.595 -18.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 13.344 -5.957 -16.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.805 -5.326 -16.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.374 -6.681 -15.264 1.00 0.00 H new ATOM 793 N GLU A 56 5.857 -9.228 -19.230 1.00 0.00 N ATOM 794 CA GLU A 56 4.687 -9.984 -19.661 1.00 0.00 C ATOM 795 C GLU A 56 4.930 -11.485 -19.530 1.00 0.00 C ATOM 796 O GLU A 56 3.992 -12.281 -19.557 1.00 0.00 O ATOM 797 CB GLU A 56 4.333 -9.638 -21.109 1.00 0.00 C ATOM 798 CG GLU A 56 5.472 -9.875 -22.087 1.00 0.00 C ATOM 799 CD GLU A 56 6.400 -8.681 -22.203 1.00 0.00 C ATOM 800 OE1 GLU A 56 6.249 -7.733 -21.405 1.00 0.00 O ATOM 801 OE2 GLU A 56 7.277 -8.697 -23.092 1.00 0.00 O ATOM 0 H GLU A 56 6.545 -9.059 -19.964 1.00 0.00 H new ATOM 0 HA GLU A 56 3.852 -9.711 -19.015 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.472 -10.232 -21.416 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.033 -8.591 -21.161 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.045 -10.746 -21.768 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.060 -10.107 -23.069 1.00 0.00 H new ATOM 808 N ASN A 57 6.196 -11.863 -19.389 1.00 0.00 N ATOM 809 CA ASN A 57 6.564 -13.268 -19.255 1.00 0.00 C ATOM 810 C ASN A 57 7.475 -13.480 -18.051 1.00 0.00 C ATOM 811 O ASN A 57 8.340 -14.355 -18.059 1.00 0.00 O ATOM 812 CB ASN A 57 7.259 -13.758 -20.527 1.00 0.00 C ATOM 813 CG ASN A 57 6.279 -14.033 -21.652 1.00 0.00 C ATOM 814 OD1 ASN A 57 5.193 -14.568 -21.428 1.00 0.00 O ATOM 815 ND2 ASN A 57 6.660 -13.667 -22.870 1.00 0.00 N ATOM 0 H ASN A 57 6.984 -11.216 -19.365 1.00 0.00 H new ATOM 0 HA ASN A 57 5.651 -13.844 -19.103 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.982 -13.011 -20.853 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.818 -14.667 -20.305 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.043 -13.826 -23.667 1.00 0.00 H new ATOM 0 HD22 ASN A 57 7.569 -13.227 -23.009 1.00 0.00 H new ATOM 822 N GLY A 58 7.275 -12.671 -17.014 1.00 0.00 N ATOM 823 CA GLY A 58 8.085 -12.786 -15.816 1.00 0.00 C ATOM 824 C GLY A 58 7.352 -13.478 -14.684 1.00 0.00 C ATOM 825 O GLY A 58 6.147 -13.710 -14.767 1.00 0.00 O ATOM 0 H GLY A 58 6.566 -11.938 -16.983 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.994 -13.340 -16.048 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.392 -11.792 -15.492 1.00 0.00 H new ATOM 829 N ALA A 59 8.082 -13.810 -13.624 1.00 0.00 N ATOM 830 CA ALA A 59 7.493 -14.479 -12.470 1.00 0.00 C ATOM 831 C ALA A 59 6.240 -13.752 -11.994 1.00 0.00 C ATOM 832 O ALA A 59 5.204 -14.372 -11.758 1.00 0.00 O ATOM 833 CB ALA A 59 8.509 -14.577 -11.342 1.00 0.00 C ATOM 0 H ALA A 59 9.082 -13.627 -13.540 1.00 0.00 H new ATOM 0 HA ALA A 59 7.204 -15.485 -12.773 1.00 0.00 H new ATOM 0 HB1 ALA A 59 8.056 -15.079 -10.487 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.374 -15.147 -11.680 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.826 -13.576 -11.050 1.00 0.00 H new ATOM 839 N ALA A 60 6.342 -12.434 -11.856 1.00 0.00 N ATOM 840 CA ALA A 60 5.217 -11.623 -11.409 1.00 0.00 C ATOM 841 C ALA A 60 4.033 -11.756 -12.361 1.00 0.00 C ATOM 842 O ALA A 60 2.899 -11.968 -11.932 1.00 0.00 O ATOM 843 CB ALA A 60 5.634 -10.165 -11.282 1.00 0.00 C ATOM 0 H ALA A 60 7.193 -11.905 -12.048 1.00 0.00 H new ATOM 0 HA ALA A 60 4.905 -11.986 -10.430 1.00 0.00 H new ATOM 0 HB1 ALA A 60 4.783 -9.571 -10.947 1.00 0.00 H new ATOM 0 HB2 ALA A 60 6.444 -10.080 -10.557 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.974 -9.798 -12.250 1.00 0.00 H new ATOM 849 N ALA A 61 4.304 -11.628 -13.656 1.00 0.00 N ATOM 850 CA ALA A 61 3.261 -11.735 -14.669 1.00 0.00 C ATOM 851 C ALA A 61 2.472 -13.030 -14.510 1.00 0.00 C ATOM 852 O ALA A 61 1.268 -13.008 -14.251 1.00 0.00 O ATOM 853 CB ALA A 61 3.867 -11.652 -16.062 1.00 0.00 C ATOM 0 H ALA A 61 5.237 -11.450 -14.028 1.00 0.00 H new ATOM 0 HA ALA A 61 2.572 -10.901 -14.534 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.077 -11.733 -16.808 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.380 -10.697 -16.179 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.579 -12.466 -16.198 1.00 0.00 H new ATOM 859 N LEU A 62 3.157 -14.158 -14.666 1.00 0.00 N ATOM 860 CA LEU A 62 2.519 -15.464 -14.540 1.00 0.00 C ATOM 861 C LEU A 62 1.657 -15.530 -13.284 1.00 0.00 C ATOM 862 O LEU A 62 0.451 -15.767 -13.358 1.00 0.00 O ATOM 863 CB LEU A 62 3.577 -16.568 -14.505 1.00 0.00 C ATOM 864 CG LEU A 62 4.526 -16.626 -15.703 1.00 0.00 C ATOM 865 CD1 LEU A 62 5.803 -17.368 -15.336 1.00 0.00 C ATOM 866 CD2 LEU A 62 3.845 -17.289 -16.891 1.00 0.00 C ATOM 0 H LEU A 62 4.154 -14.194 -14.880 1.00 0.00 H new ATOM 0 HA LEU A 62 1.876 -15.612 -15.407 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.173 -16.444 -13.601 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.068 -17.529 -14.423 1.00 0.00 H new ATOM 0 HG LEU A 62 4.790 -15.606 -15.984 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.467 -17.400 -16.200 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.301 -16.852 -14.515 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.558 -18.385 -15.029 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.535 -17.322 -17.734 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.552 -18.304 -16.623 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.960 -16.717 -17.169 1.00 0.00 H new ATOM 878 N ASP A 63 2.282 -15.317 -12.131 1.00 0.00 N ATOM 879 CA ASP A 63 1.572 -15.349 -10.858 1.00 0.00 C ATOM 880 C ASP A 63 0.330 -14.464 -10.907 1.00 0.00 C ATOM 881 O ASP A 63 -0.742 -14.856 -10.447 1.00 0.00 O ATOM 882 CB ASP A 63 2.492 -14.895 -9.724 1.00 0.00 C ATOM 883 CG ASP A 63 3.504 -15.957 -9.340 1.00 0.00 C ATOM 884 OD1 ASP A 63 4.014 -16.648 -10.247 1.00 0.00 O ATOM 885 OD2 ASP A 63 3.787 -16.097 -8.132 1.00 0.00 O ATOM 0 H ASP A 63 3.280 -15.120 -12.052 1.00 0.00 H new ATOM 0 HA ASP A 63 1.258 -16.376 -10.671 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.017 -13.989 -10.027 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.890 -14.638 -8.852 1.00 0.00 H new ATOM 890 N GLY A 64 0.483 -13.268 -11.466 1.00 0.00 N ATOM 891 CA GLY A 64 -0.633 -12.346 -11.563 1.00 0.00 C ATOM 892 C GLY A 64 -0.828 -11.535 -10.296 1.00 0.00 C ATOM 893 O GLY A 64 -1.156 -10.350 -10.354 1.00 0.00 O ATOM 0 H GLY A 64 1.360 -12.921 -11.854 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -0.469 -11.670 -12.402 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.544 -12.905 -11.777 1.00 0.00 H new ATOM 897 N ARG A 65 -0.627 -12.176 -9.149 1.00 0.00 N ATOM 898 CA ARG A 65 -0.785 -11.507 -7.863 1.00 0.00 C ATOM 899 C ARG A 65 -0.258 -10.076 -7.926 1.00 0.00 C ATOM 900 O ARG A 65 -1.021 -9.117 -7.804 1.00 0.00 O ATOM 901 CB ARG A 65 -0.052 -12.283 -6.767 1.00 0.00 C ATOM 902 CG ARG A 65 -0.556 -13.706 -6.588 1.00 0.00 C ATOM 903 CD ARG A 65 -0.244 -14.236 -5.197 1.00 0.00 C ATOM 904 NE ARG A 65 -0.828 -13.403 -4.150 1.00 0.00 N ATOM 905 CZ ARG A 65 -0.903 -13.769 -2.875 1.00 0.00 C ATOM 906 NH1 ARG A 65 -0.434 -14.948 -2.492 1.00 0.00 N ATOM 907 NH2 ARG A 65 -1.449 -12.955 -1.981 1.00 0.00 N ATOM 0 H ARG A 65 -0.355 -13.157 -9.084 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.849 -11.475 -7.627 1.00 0.00 H new ATOM 0 HB2 ARG A 65 1.012 -12.310 -7.002 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -0.156 -11.748 -5.823 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.632 -13.736 -6.757 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -0.098 -14.353 -7.336 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -0.623 -15.254 -5.104 1.00 0.00 H new ATOM 0 HD3 ARG A 65 0.836 -14.284 -5.061 1.00 0.00 H new ATOM 0 HE ARG A 65 -1.199 -12.490 -4.412 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -0.014 -15.577 -3.177 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -0.493 -15.227 -1.513 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -1.812 -12.047 -2.272 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -1.506 -13.237 -1.002 1.00 0.00 H new ATOM 921 N LEU A 66 1.049 -9.940 -8.116 1.00 0.00 N ATOM 922 CA LEU A 66 1.678 -8.626 -8.195 1.00 0.00 C ATOM 923 C LEU A 66 1.135 -7.832 -9.378 1.00 0.00 C ATOM 924 O LEU A 66 0.777 -8.403 -10.408 1.00 0.00 O ATOM 925 CB LEU A 66 3.196 -8.772 -8.318 1.00 0.00 C ATOM 926 CG LEU A 66 3.999 -7.471 -8.307 1.00 0.00 C ATOM 927 CD1 LEU A 66 3.901 -6.794 -6.949 1.00 0.00 C ATOM 928 CD2 LEU A 66 5.452 -7.738 -8.669 1.00 0.00 C ATOM 0 H LEU A 66 1.694 -10.723 -8.218 1.00 0.00 H new ATOM 0 HA LEU A 66 1.444 -8.083 -7.279 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.548 -9.400 -7.499 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.416 -9.303 -9.244 1.00 0.00 H new ATOM 0 HG LEU A 66 3.577 -6.800 -9.055 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.479 -5.870 -6.961 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.858 -6.567 -6.730 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.296 -7.459 -6.181 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.008 -6.801 -8.656 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.886 -8.428 -7.945 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.504 -8.177 -9.665 1.00 0.00 H new ATOM 940 N GLN A 67 1.079 -6.513 -9.224 1.00 0.00 N ATOM 941 CA GLN A 67 0.580 -5.641 -10.281 1.00 0.00 C ATOM 942 C GLN A 67 1.202 -4.252 -10.179 1.00 0.00 C ATOM 943 O GLN A 67 1.581 -3.810 -9.095 1.00 0.00 O ATOM 944 CB GLN A 67 -0.944 -5.537 -10.209 1.00 0.00 C ATOM 945 CG GLN A 67 -1.452 -4.940 -8.907 1.00 0.00 C ATOM 946 CD GLN A 67 -2.949 -4.700 -8.920 1.00 0.00 C ATOM 947 OE1 GLN A 67 -3.689 -5.278 -8.123 1.00 0.00 O ATOM 948 NE2 GLN A 67 -3.404 -3.844 -9.827 1.00 0.00 N ATOM 0 H GLN A 67 1.373 -6.025 -8.378 1.00 0.00 H new ATOM 0 HA GLN A 67 0.862 -6.076 -11.240 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -1.298 -4.928 -11.041 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.374 -6.531 -10.336 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.202 -5.609 -8.083 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -0.938 -3.997 -8.719 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -2.755 -3.387 -10.468 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.402 -3.643 -9.883 1.00 0.00 H new ATOM 957 N GLU A 68 1.303 -3.570 -11.316 1.00 0.00 N ATOM 958 CA GLU A 68 1.881 -2.231 -11.353 1.00 0.00 C ATOM 959 C GLU A 68 1.209 -1.321 -10.329 1.00 0.00 C ATOM 960 O GLU A 68 0.041 -1.504 -9.991 1.00 0.00 O ATOM 961 CB GLU A 68 1.742 -1.631 -12.754 1.00 0.00 C ATOM 962 CG GLU A 68 2.561 -2.355 -13.809 1.00 0.00 C ATOM 963 CD GLU A 68 1.939 -2.269 -15.190 1.00 0.00 C ATOM 964 OE1 GLU A 68 0.699 -2.151 -15.276 1.00 0.00 O ATOM 965 OE2 GLU A 68 2.694 -2.321 -16.184 1.00 0.00 O ATOM 0 H GLU A 68 0.993 -3.922 -12.222 1.00 0.00 H new ATOM 0 HA GLU A 68 2.939 -2.312 -11.103 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.692 -1.649 -13.045 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.047 -0.585 -12.724 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.564 -1.931 -13.839 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.666 -3.402 -13.526 1.00 0.00 H new ATOM 972 N GLY A 69 1.959 -0.338 -9.839 1.00 0.00 N ATOM 973 CA GLY A 69 1.421 0.587 -8.858 1.00 0.00 C ATOM 974 C GLY A 69 1.551 0.068 -7.439 1.00 0.00 C ATOM 975 O GLY A 69 1.111 0.718 -6.491 1.00 0.00 O ATOM 0 H GLY A 69 2.929 -0.166 -10.104 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.940 1.542 -8.941 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.370 0.775 -9.078 1.00 0.00 H new ATOM 979 N ASP A 70 2.155 -1.106 -7.294 1.00 0.00 N ATOM 980 CA ASP A 70 2.342 -1.712 -5.981 1.00 0.00 C ATOM 981 C ASP A 70 3.544 -1.103 -5.267 1.00 0.00 C ATOM 982 O ASP A 70 4.594 -0.885 -5.871 1.00 0.00 O ATOM 983 CB ASP A 70 2.525 -3.225 -6.115 1.00 0.00 C ATOM 984 CG ASP A 70 1.204 -3.964 -6.189 1.00 0.00 C ATOM 985 OD1 ASP A 70 0.167 -3.362 -5.839 1.00 0.00 O ATOM 986 OD2 ASP A 70 1.206 -5.145 -6.595 1.00 0.00 O ATOM 0 H ASP A 70 2.523 -1.657 -8.069 1.00 0.00 H new ATOM 0 HA ASP A 70 1.450 -1.513 -5.386 1.00 0.00 H new ATOM 0 HB2 ASP A 70 3.108 -3.439 -7.010 1.00 0.00 H new ATOM 0 HB3 ASP A 70 3.098 -3.595 -5.265 1.00 0.00 H new ATOM 991 N LYS A 71 3.383 -0.828 -3.977 1.00 0.00 N ATOM 992 CA LYS A 71 4.454 -0.244 -3.179 1.00 0.00 C ATOM 993 C LYS A 71 4.984 -1.249 -2.161 1.00 0.00 C ATOM 994 O LYS A 71 4.306 -1.575 -1.186 1.00 0.00 O ATOM 995 CB LYS A 71 3.956 1.012 -2.460 1.00 0.00 C ATOM 996 CG LYS A 71 5.017 1.685 -1.607 1.00 0.00 C ATOM 997 CD LYS A 71 4.404 2.384 -0.404 1.00 0.00 C ATOM 998 CE LYS A 71 5.463 2.759 0.622 1.00 0.00 C ATOM 999 NZ LYS A 71 5.038 3.913 1.462 1.00 0.00 N ATOM 0 H LYS A 71 2.520 -1.001 -3.462 1.00 0.00 H new ATOM 0 HA LYS A 71 5.267 0.028 -3.852 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.592 1.724 -3.200 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.108 0.747 -1.828 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.739 0.942 -1.268 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.565 2.409 -2.210 1.00 0.00 H new ATOM 0 HD2 LYS A 71 3.879 3.281 -0.732 1.00 0.00 H new ATOM 0 HD3 LYS A 71 3.663 1.732 0.058 1.00 0.00 H new ATOM 0 HE2 LYS A 71 5.669 1.901 1.262 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.393 3.006 0.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 5.787 4.137 2.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.866 4.740 0.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.164 3.669 1.970 1.00 0.00 H new ATOM 1013 N ILE A 72 6.199 -1.734 -2.393 1.00 0.00 N ATOM 1014 CA ILE A 72 6.820 -2.699 -1.494 1.00 0.00 C ATOM 1015 C ILE A 72 7.237 -2.041 -0.184 1.00 0.00 C ATOM 1016 O ILE A 72 7.961 -1.044 -0.179 1.00 0.00 O ATOM 1017 CB ILE A 72 8.054 -3.358 -2.140 1.00 0.00 C ATOM 1018 CG1 ILE A 72 7.686 -3.957 -3.499 1.00 0.00 C ATOM 1019 CG2 ILE A 72 8.626 -4.427 -1.222 1.00 0.00 C ATOM 1020 CD1 ILE A 72 8.873 -4.148 -4.417 1.00 0.00 C ATOM 0 H ILE A 72 6.773 -1.475 -3.195 1.00 0.00 H new ATOM 0 HA ILE A 72 6.073 -3.466 -1.291 1.00 0.00 H new ATOM 0 HB ILE A 72 8.816 -2.594 -2.294 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.199 -4.920 -3.343 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.959 -3.308 -3.988 1.00 0.00 H new ATOM 0 HG21 ILE A 72 9.497 -4.883 -1.693 1.00 0.00 H new ATOM 0 HG22 ILE A 72 8.921 -3.974 -0.275 1.00 0.00 H new ATOM 0 HG23 ILE A 72 7.871 -5.191 -1.039 1.00 0.00 H new ATOM 0 HD11 ILE A 72 8.537 -4.576 -5.361 1.00 0.00 H new ATOM 0 HD12 ILE A 72 9.347 -3.185 -4.604 1.00 0.00 H new ATOM 0 HD13 ILE A 72 9.591 -4.821 -3.948 1.00 0.00 H new ATOM 1032 N LEU A 73 6.778 -2.605 0.928 1.00 0.00 N ATOM 1033 CA LEU A 73 7.105 -2.075 2.247 1.00 0.00 C ATOM 1034 C LEU A 73 8.246 -2.862 2.883 1.00 0.00 C ATOM 1035 O LEU A 73 9.266 -2.293 3.270 1.00 0.00 O ATOM 1036 CB LEU A 73 5.874 -2.115 3.154 1.00 0.00 C ATOM 1037 CG LEU A 73 4.547 -1.726 2.502 1.00 0.00 C ATOM 1038 CD1 LEU A 73 3.392 -2.467 3.157 1.00 0.00 C ATOM 1039 CD2 LEU A 73 4.333 -0.221 2.586 1.00 0.00 C ATOM 0 H LEU A 73 6.178 -3.430 0.942 1.00 0.00 H new ATOM 0 HA LEU A 73 7.426 -1.040 2.126 1.00 0.00 H new ATOM 0 HB2 LEU A 73 5.776 -3.123 3.556 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.049 -1.450 4.000 1.00 0.00 H new ATOM 0 HG LEU A 73 4.584 -2.010 1.450 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.456 -2.177 2.679 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.539 -3.541 3.045 1.00 0.00 H new ATOM 0 HD13 LEU A 73 3.352 -2.215 4.217 1.00 0.00 H new ATOM 0 HD21 LEU A 73 3.384 0.038 2.117 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.317 0.086 3.632 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.145 0.291 2.069 1.00 0.00 H new ATOM 1051 N SER A 74 8.066 -4.175 2.986 1.00 0.00 N ATOM 1052 CA SER A 74 9.080 -5.041 3.577 1.00 0.00 C ATOM 1053 C SER A 74 9.397 -6.214 2.655 1.00 0.00 C ATOM 1054 O SER A 74 8.601 -6.567 1.784 1.00 0.00 O ATOM 1055 CB SER A 74 8.608 -5.560 4.937 1.00 0.00 C ATOM 1056 OG SER A 74 7.233 -5.899 4.904 1.00 0.00 O ATOM 0 H SER A 74 7.228 -4.662 2.668 1.00 0.00 H new ATOM 0 HA SER A 74 9.988 -4.454 3.715 1.00 0.00 H new ATOM 0 HB2 SER A 74 9.195 -6.434 5.220 1.00 0.00 H new ATOM 0 HB3 SER A 74 8.780 -4.800 5.699 1.00 0.00 H new ATOM 0 HG SER A 74 6.956 -6.229 5.784 1.00 0.00 H new ATOM 1062 N VAL A 75 10.566 -6.815 2.852 1.00 0.00 N ATOM 1063 CA VAL A 75 10.989 -7.950 2.040 1.00 0.00 C ATOM 1064 C VAL A 75 11.535 -9.076 2.910 1.00 0.00 C ATOM 1065 O VAL A 75 12.654 -8.996 3.416 1.00 0.00 O ATOM 1066 CB VAL A 75 12.066 -7.538 1.018 1.00 0.00 C ATOM 1067 CG1 VAL A 75 12.595 -8.757 0.279 1.00 0.00 C ATOM 1068 CG2 VAL A 75 11.508 -6.513 0.042 1.00 0.00 C ATOM 0 H VAL A 75 11.237 -6.535 3.567 1.00 0.00 H new ATOM 0 HA VAL A 75 10.107 -8.303 1.506 1.00 0.00 H new ATOM 0 HB VAL A 75 12.897 -7.080 1.555 1.00 0.00 H new ATOM 0 HG11 VAL A 75 13.355 -8.446 -0.438 1.00 0.00 H new ATOM 0 HG12 VAL A 75 13.034 -9.453 0.993 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.776 -9.246 -0.249 1.00 0.00 H new ATOM 0 HG21 VAL A 75 12.282 -6.233 -0.673 1.00 0.00 H new ATOM 0 HG22 VAL A 75 10.660 -6.942 -0.491 1.00 0.00 H new ATOM 0 HG23 VAL A 75 11.183 -5.629 0.590 1.00 0.00 H new ATOM 1078 N ASN A 76 10.737 -10.125 3.080 1.00 0.00 N ATOM 1079 CA ASN A 76 11.141 -11.269 3.890 1.00 0.00 C ATOM 1080 C ASN A 76 11.391 -10.850 5.336 1.00 0.00 C ATOM 1081 O ASN A 76 12.335 -11.314 5.973 1.00 0.00 O ATOM 1082 CB ASN A 76 12.401 -11.913 3.309 1.00 0.00 C ATOM 1083 CG ASN A 76 12.249 -12.257 1.840 1.00 0.00 C ATOM 1084 OD1 ASN A 76 11.651 -11.503 1.072 1.00 0.00 O ATOM 1085 ND2 ASN A 76 12.792 -13.402 1.441 1.00 0.00 N ATOM 0 H ASN A 76 9.807 -10.207 2.668 1.00 0.00 H new ATOM 0 HA ASN A 76 10.330 -11.997 3.876 1.00 0.00 H new ATOM 0 HB2 ASN A 76 13.244 -11.234 3.435 1.00 0.00 H new ATOM 0 HB3 ASN A 76 12.634 -12.818 3.869 1.00 0.00 H new ATOM 0 HD21 ASN A 76 12.722 -13.686 0.464 1.00 0.00 H new ATOM 0 HD22 ASN A 76 13.279 -13.997 2.112 1.00 0.00 H new ATOM 1092 N GLY A 77 10.536 -9.970 5.848 1.00 0.00 N ATOM 1093 CA GLY A 77 10.680 -9.504 7.215 1.00 0.00 C ATOM 1094 C GLY A 77 11.564 -8.277 7.318 1.00 0.00 C ATOM 1095 O GLY A 77 11.705 -7.696 8.394 1.00 0.00 O ATOM 0 H GLY A 77 9.746 -9.571 5.340 1.00 0.00 H new ATOM 0 HA2 GLY A 77 9.696 -9.274 7.623 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.100 -10.303 7.826 1.00 0.00 H new ATOM 1099 N GLN A 78 12.160 -7.883 6.198 1.00 0.00 N ATOM 1100 CA GLN A 78 13.037 -6.718 6.169 1.00 0.00 C ATOM 1101 C GLN A 78 12.227 -5.426 6.216 1.00 0.00 C ATOM 1102 O GLN A 78 10.998 -5.449 6.148 1.00 0.00 O ATOM 1103 CB GLN A 78 13.909 -6.741 4.912 1.00 0.00 C ATOM 1104 CG GLN A 78 14.689 -8.034 4.737 1.00 0.00 C ATOM 1105 CD GLN A 78 16.026 -8.011 5.450 1.00 0.00 C ATOM 1106 OE1 GLN A 78 16.179 -7.362 6.485 1.00 0.00 O ATOM 1107 NE2 GLN A 78 17.004 -8.720 4.899 1.00 0.00 N ATOM 0 H GLN A 78 12.052 -8.353 5.299 1.00 0.00 H new ATOM 0 HA GLN A 78 13.679 -6.756 7.049 1.00 0.00 H new ATOM 0 HB2 GLN A 78 13.276 -6.587 4.038 1.00 0.00 H new ATOM 0 HB3 GLN A 78 14.609 -5.906 4.950 1.00 0.00 H new ATOM 0 HG2 GLN A 78 14.095 -8.866 5.115 1.00 0.00 H new ATOM 0 HG3 GLN A 78 14.851 -8.215 3.674 1.00 0.00 H new ATOM 0 HE21 GLN A 78 16.833 -9.243 4.040 1.00 0.00 H new ATOM 0 HE22 GLN A 78 17.926 -8.741 5.334 1.00 0.00 H new ATOM 1116 N ASP A 79 12.924 -4.301 6.335 1.00 0.00 N ATOM 1117 CA ASP A 79 12.270 -2.999 6.391 1.00 0.00 C ATOM 1118 C ASP A 79 12.893 -2.034 5.387 1.00 0.00 C ATOM 1119 O ASP A 79 14.044 -1.624 5.537 1.00 0.00 O ATOM 1120 CB ASP A 79 12.364 -2.417 7.802 1.00 0.00 C ATOM 1121 CG ASP A 79 11.535 -3.195 8.806 1.00 0.00 C ATOM 1122 OD1 ASP A 79 10.338 -2.876 8.959 1.00 0.00 O ATOM 1123 OD2 ASP A 79 12.084 -4.122 9.438 1.00 0.00 O ATOM 0 H ASP A 79 13.942 -4.265 6.395 1.00 0.00 H new ATOM 0 HA ASP A 79 11.220 -3.136 6.132 1.00 0.00 H new ATOM 0 HB2 ASP A 79 13.406 -2.413 8.121 1.00 0.00 H new ATOM 0 HB3 ASP A 79 12.031 -1.379 7.787 1.00 0.00 H new ATOM 1128 N LEU A 80 12.125 -1.676 4.364 1.00 0.00 N ATOM 1129 CA LEU A 80 12.602 -0.760 3.333 1.00 0.00 C ATOM 1130 C LEU A 80 12.231 0.680 3.672 1.00 0.00 C ATOM 1131 O LEU A 80 11.096 1.108 3.456 1.00 0.00 O ATOM 1132 CB LEU A 80 12.017 -1.143 1.972 1.00 0.00 C ATOM 1133 CG LEU A 80 11.924 -2.641 1.680 1.00 0.00 C ATOM 1134 CD1 LEU A 80 11.012 -2.896 0.490 1.00 0.00 C ATOM 1135 CD2 LEU A 80 13.308 -3.223 1.428 1.00 0.00 C ATOM 0 H LEU A 80 11.170 -2.006 4.226 1.00 0.00 H new ATOM 0 HA LEU A 80 13.688 -0.835 3.288 1.00 0.00 H new ATOM 0 HB2 LEU A 80 11.017 -0.715 1.895 1.00 0.00 H new ATOM 0 HB3 LEU A 80 12.623 -0.678 1.194 1.00 0.00 H new ATOM 0 HG LEU A 80 11.497 -3.136 2.552 1.00 0.00 H new ATOM 0 HD11 LEU A 80 10.957 -3.967 0.296 1.00 0.00 H new ATOM 0 HD12 LEU A 80 10.014 -2.515 0.708 1.00 0.00 H new ATOM 0 HD13 LEU A 80 11.410 -2.388 -0.389 1.00 0.00 H new ATOM 0 HD21 LEU A 80 13.222 -4.290 1.222 1.00 0.00 H new ATOM 0 HD22 LEU A 80 13.762 -2.724 0.572 1.00 0.00 H new ATOM 0 HD23 LEU A 80 13.932 -3.073 2.309 1.00 0.00 H new ATOM 1147 N LYS A 81 13.195 1.425 4.200 1.00 0.00 N ATOM 1148 CA LYS A 81 12.972 2.819 4.566 1.00 0.00 C ATOM 1149 C LYS A 81 14.294 3.575 4.660 1.00 0.00 C ATOM 1150 O LYS A 81 15.314 3.013 5.058 1.00 0.00 O ATOM 1151 CB LYS A 81 12.227 2.906 5.899 1.00 0.00 C ATOM 1152 CG LYS A 81 13.014 2.351 7.074 1.00 0.00 C ATOM 1153 CD LYS A 81 12.204 2.393 8.358 1.00 0.00 C ATOM 1154 CE LYS A 81 12.834 1.534 9.443 1.00 0.00 C ATOM 1155 NZ LYS A 81 13.866 2.282 10.214 1.00 0.00 N ATOM 0 H LYS A 81 14.139 1.087 4.384 1.00 0.00 H new ATOM 0 HA LYS A 81 12.364 3.280 3.787 1.00 0.00 H new ATOM 0 HB2 LYS A 81 11.978 3.948 6.099 1.00 0.00 H new ATOM 0 HB3 LYS A 81 11.285 2.364 5.815 1.00 0.00 H new ATOM 0 HG2 LYS A 81 13.309 1.323 6.862 1.00 0.00 H new ATOM 0 HG3 LYS A 81 13.931 2.926 7.203 1.00 0.00 H new ATOM 0 HD2 LYS A 81 12.127 3.423 8.707 1.00 0.00 H new ATOM 0 HD3 LYS A 81 11.190 2.046 8.161 1.00 0.00 H new ATOM 0 HE2 LYS A 81 12.058 1.181 10.122 1.00 0.00 H new ATOM 0 HE3 LYS A 81 13.287 0.652 8.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 14.271 1.662 10.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 14.619 2.598 9.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 13.429 3.110 10.667 1.00 0.00 H new ATOM 1169 N ASN A 82 14.268 4.852 4.293 1.00 0.00 N ATOM 1170 CA ASN A 82 15.465 5.684 4.338 1.00 0.00 C ATOM 1171 C ASN A 82 16.648 4.972 3.688 1.00 0.00 C ATOM 1172 O ASN A 82 17.760 4.983 4.217 1.00 0.00 O ATOM 1173 CB ASN A 82 15.806 6.047 5.785 1.00 0.00 C ATOM 1174 CG ASN A 82 14.655 6.732 6.496 1.00 0.00 C ATOM 1175 OD1 ASN A 82 13.706 7.194 5.862 1.00 0.00 O ATOM 1176 ND2 ASN A 82 14.734 6.801 7.819 1.00 0.00 N ATOM 0 H ASN A 82 13.432 5.333 3.961 1.00 0.00 H new ATOM 0 HA ASN A 82 15.262 6.598 3.780 1.00 0.00 H new ATOM 0 HB2 ASN A 82 16.079 5.143 6.329 1.00 0.00 H new ATOM 0 HB3 ASN A 82 16.678 6.701 5.797 1.00 0.00 H new ATOM 0 HD21 ASN A 82 13.989 7.251 8.352 1.00 0.00 H new ATOM 0 HD22 ASN A 82 15.539 6.404 8.303 1.00 0.00 H new ATOM 1183 N LEU A 83 16.400 4.355 2.538 1.00 0.00 N ATOM 1184 CA LEU A 83 17.444 3.638 1.815 1.00 0.00 C ATOM 1185 C LEU A 83 17.573 4.158 0.387 1.00 0.00 C ATOM 1186 O LEU A 83 16.747 4.948 -0.074 1.00 0.00 O ATOM 1187 CB LEU A 83 17.143 2.138 1.798 1.00 0.00 C ATOM 1188 CG LEU A 83 15.731 1.742 1.365 1.00 0.00 C ATOM 1189 CD1 LEU A 83 15.448 2.232 -0.047 1.00 0.00 C ATOM 1190 CD2 LEU A 83 15.549 0.234 1.455 1.00 0.00 C ATOM 0 H LEU A 83 15.486 4.337 2.087 1.00 0.00 H new ATOM 0 HA LEU A 83 18.389 3.807 2.331 1.00 0.00 H new ATOM 0 HB2 LEU A 83 17.856 1.652 1.131 1.00 0.00 H new ATOM 0 HB3 LEU A 83 17.320 1.741 2.798 1.00 0.00 H new ATOM 0 HG LEU A 83 15.018 2.215 2.041 1.00 0.00 H new ATOM 0 HD11 LEU A 83 14.439 1.941 -0.338 1.00 0.00 H new ATOM 0 HD12 LEU A 83 15.536 3.318 -0.080 1.00 0.00 H new ATOM 0 HD13 LEU A 83 16.166 1.789 -0.737 1.00 0.00 H new ATOM 0 HD21 LEU A 83 14.538 -0.030 1.143 1.00 0.00 H new ATOM 0 HD22 LEU A 83 16.270 -0.259 0.803 1.00 0.00 H new ATOM 0 HD23 LEU A 83 15.708 -0.091 2.483 1.00 0.00 H new ATOM 1202 N LEU A 84 18.612 3.710 -0.309 1.00 0.00 N ATOM 1203 CA LEU A 84 18.847 4.128 -1.687 1.00 0.00 C ATOM 1204 C LEU A 84 18.361 3.067 -2.669 1.00 0.00 C ATOM 1205 O LEU A 84 18.183 1.904 -2.305 1.00 0.00 O ATOM 1206 CB LEU A 84 20.336 4.402 -1.910 1.00 0.00 C ATOM 1207 CG LEU A 84 21.028 5.255 -0.846 1.00 0.00 C ATOM 1208 CD1 LEU A 84 22.498 4.881 -0.736 1.00 0.00 C ATOM 1209 CD2 LEU A 84 20.874 6.735 -1.166 1.00 0.00 C ATOM 0 H LEU A 84 19.305 3.058 0.058 1.00 0.00 H new ATOM 0 HA LEU A 84 18.284 5.044 -1.864 1.00 0.00 H new ATOM 0 HB2 LEU A 84 20.855 3.446 -1.975 1.00 0.00 H new ATOM 0 HB3 LEU A 84 20.454 4.895 -2.875 1.00 0.00 H new ATOM 0 HG LEU A 84 20.552 5.061 0.115 1.00 0.00 H new ATOM 0 HD11 LEU A 84 22.974 5.498 0.026 1.00 0.00 H new ATOM 0 HD12 LEU A 84 22.586 3.830 -0.459 1.00 0.00 H new ATOM 0 HD13 LEU A 84 22.988 5.046 -1.695 1.00 0.00 H new ATOM 0 HD21 LEU A 84 21.372 7.327 -0.398 1.00 0.00 H new ATOM 0 HD22 LEU A 84 21.324 6.946 -2.136 1.00 0.00 H new ATOM 0 HD23 LEU A 84 19.815 6.993 -1.193 1.00 0.00 H new ATOM 1221 N HIS A 85 18.150 3.475 -3.917 1.00 0.00 N ATOM 1222 CA HIS A 85 17.687 2.559 -4.953 1.00 0.00 C ATOM 1223 C HIS A 85 18.511 1.275 -4.951 1.00 0.00 C ATOM 1224 O HIS A 85 17.968 0.178 -5.078 1.00 0.00 O ATOM 1225 CB HIS A 85 17.765 3.227 -6.326 1.00 0.00 C ATOM 1226 CG HIS A 85 17.301 2.348 -7.446 1.00 0.00 C ATOM 1227 ND1 HIS A 85 15.991 1.943 -7.593 1.00 0.00 N ATOM 1228 CD2 HIS A 85 17.981 1.797 -8.479 1.00 0.00 C ATOM 1229 CE1 HIS A 85 15.886 1.180 -8.666 1.00 0.00 C ATOM 1230 NE2 HIS A 85 17.079 1.076 -9.222 1.00 0.00 N ATOM 0 H HIS A 85 18.292 4.434 -4.235 1.00 0.00 H new ATOM 0 HA HIS A 85 16.649 2.304 -4.740 1.00 0.00 H new ATOM 0 HB2 HIS A 85 17.162 4.135 -6.314 1.00 0.00 H new ATOM 0 HB3 HIS A 85 18.795 3.530 -6.516 1.00 0.00 H new ATOM 0 HD2 HIS A 85 19.036 1.905 -8.681 1.00 0.00 H new ATOM 0 HE1 HIS A 85 14.978 0.719 -9.027 1.00 0.00 H new ATOM 0 HE2 HIS A 85 17.295 0.546 -10.066 1.00 0.00 H new ATOM 1238 N GLN A 86 19.825 1.421 -4.806 1.00 0.00 N ATOM 1239 CA GLN A 86 20.723 0.273 -4.790 1.00 0.00 C ATOM 1240 C GLN A 86 20.443 -0.620 -3.586 1.00 0.00 C ATOM 1241 O GLN A 86 20.441 -1.846 -3.698 1.00 0.00 O ATOM 1242 CB GLN A 86 22.180 0.739 -4.765 1.00 0.00 C ATOM 1243 CG GLN A 86 23.173 -0.382 -4.505 1.00 0.00 C ATOM 1244 CD GLN A 86 23.458 -1.208 -5.743 1.00 0.00 C ATOM 1245 OE1 GLN A 86 24.377 -0.907 -6.507 1.00 0.00 O ATOM 1246 NE2 GLN A 86 22.670 -2.257 -5.950 1.00 0.00 N ATOM 0 H GLN A 86 20.290 2.322 -4.698 1.00 0.00 H new ATOM 0 HA GLN A 86 20.549 -0.305 -5.697 1.00 0.00 H new ATOM 0 HB2 GLN A 86 22.418 1.210 -5.718 1.00 0.00 H new ATOM 0 HB3 GLN A 86 22.296 1.502 -3.995 1.00 0.00 H new ATOM 0 HG2 GLN A 86 24.106 0.043 -4.134 1.00 0.00 H new ATOM 0 HG3 GLN A 86 22.784 -1.032 -3.721 1.00 0.00 H new ATOM 0 HE21 GLN A 86 21.921 -2.470 -5.291 1.00 0.00 H new ATOM 0 HE22 GLN A 86 22.814 -2.850 -6.767 1.00 0.00 H new ATOM 1255 N ASP A 87 20.207 0.002 -2.436 1.00 0.00 N ATOM 1256 CA ASP A 87 19.924 -0.737 -1.211 1.00 0.00 C ATOM 1257 C ASP A 87 18.757 -1.698 -1.413 1.00 0.00 C ATOM 1258 O ASP A 87 18.853 -2.883 -1.094 1.00 0.00 O ATOM 1259 CB ASP A 87 19.613 0.230 -0.067 1.00 0.00 C ATOM 1260 CG ASP A 87 20.860 0.674 0.671 1.00 0.00 C ATOM 1261 OD1 ASP A 87 21.943 0.691 0.049 1.00 0.00 O ATOM 1262 OD2 ASP A 87 20.753 1.004 1.870 1.00 0.00 O ATOM 0 H ASP A 87 20.206 1.016 -2.326 1.00 0.00 H new ATOM 0 HA ASP A 87 20.809 -1.319 -0.954 1.00 0.00 H new ATOM 0 HB2 ASP A 87 19.099 1.105 -0.465 1.00 0.00 H new ATOM 0 HB3 ASP A 87 18.930 -0.249 0.635 1.00 0.00 H new ATOM 1267 N ALA A 88 17.654 -1.179 -1.944 1.00 0.00 N ATOM 1268 CA ALA A 88 16.469 -1.991 -2.189 1.00 0.00 C ATOM 1269 C ALA A 88 16.751 -3.075 -3.225 1.00 0.00 C ATOM 1270 O ALA A 88 16.439 -4.246 -3.012 1.00 0.00 O ATOM 1271 CB ALA A 88 15.312 -1.113 -2.643 1.00 0.00 C ATOM 0 H ALA A 88 17.557 -0.200 -2.213 1.00 0.00 H new ATOM 0 HA ALA A 88 16.195 -2.480 -1.254 1.00 0.00 H new ATOM 0 HB1 ALA A 88 14.433 -1.733 -2.822 1.00 0.00 H new ATOM 0 HB2 ALA A 88 15.087 -0.379 -1.869 1.00 0.00 H new ATOM 0 HB3 ALA A 88 15.586 -0.597 -3.563 1.00 0.00 H new ATOM 1277 N VAL A 89 17.341 -2.675 -4.347 1.00 0.00 N ATOM 1278 CA VAL A 89 17.665 -3.613 -5.416 1.00 0.00 C ATOM 1279 C VAL A 89 18.497 -4.778 -4.892 1.00 0.00 C ATOM 1280 O VAL A 89 18.212 -5.939 -5.184 1.00 0.00 O ATOM 1281 CB VAL A 89 18.433 -2.920 -6.557 1.00 0.00 C ATOM 1282 CG1 VAL A 89 18.746 -3.909 -7.668 1.00 0.00 C ATOM 1283 CG2 VAL A 89 17.639 -1.738 -7.092 1.00 0.00 C ATOM 0 H VAL A 89 17.604 -1.709 -4.539 1.00 0.00 H new ATOM 0 HA VAL A 89 16.719 -3.991 -5.802 1.00 0.00 H new ATOM 0 HB VAL A 89 19.377 -2.545 -6.161 1.00 0.00 H new ATOM 0 HG11 VAL A 89 19.289 -3.401 -8.465 1.00 0.00 H new ATOM 0 HG12 VAL A 89 19.358 -4.720 -7.272 1.00 0.00 H new ATOM 0 HG13 VAL A 89 17.816 -4.317 -8.065 1.00 0.00 H new ATOM 0 HG21 VAL A 89 18.196 -1.260 -7.898 1.00 0.00 H new ATOM 0 HG22 VAL A 89 16.679 -2.087 -7.472 1.00 0.00 H new ATOM 0 HG23 VAL A 89 17.472 -1.019 -6.290 1.00 0.00 H new ATOM 1293 N ASP A 90 19.527 -4.459 -4.115 1.00 0.00 N ATOM 1294 CA ASP A 90 20.401 -5.479 -3.548 1.00 0.00 C ATOM 1295 C ASP A 90 19.605 -6.469 -2.704 1.00 0.00 C ATOM 1296 O ASP A 90 19.601 -7.671 -2.975 1.00 0.00 O ATOM 1297 CB ASP A 90 21.495 -4.830 -2.699 1.00 0.00 C ATOM 1298 CG ASP A 90 22.785 -5.625 -2.710 1.00 0.00 C ATOM 1299 OD1 ASP A 90 23.487 -5.604 -3.743 1.00 0.00 O ATOM 1300 OD2 ASP A 90 23.095 -6.267 -1.685 1.00 0.00 O ATOM 0 H ASP A 90 19.777 -3.502 -3.864 1.00 0.00 H new ATOM 0 HA ASP A 90 20.865 -6.022 -4.371 1.00 0.00 H new ATOM 0 HB2 ASP A 90 21.689 -3.823 -3.069 1.00 0.00 H new ATOM 0 HB3 ASP A 90 21.142 -4.729 -1.673 1.00 0.00 H new ATOM 1305 N LEU A 91 18.932 -5.957 -1.679 1.00 0.00 N ATOM 1306 CA LEU A 91 18.132 -6.796 -0.794 1.00 0.00 C ATOM 1307 C LEU A 91 17.353 -7.840 -1.588 1.00 0.00 C ATOM 1308 O LEU A 91 17.297 -9.010 -1.209 1.00 0.00 O ATOM 1309 CB LEU A 91 17.166 -5.935 0.022 1.00 0.00 C ATOM 1310 CG LEU A 91 16.342 -6.670 1.081 1.00 0.00 C ATOM 1311 CD1 LEU A 91 17.185 -6.948 2.315 1.00 0.00 C ATOM 1312 CD2 LEU A 91 15.105 -5.863 1.448 1.00 0.00 C ATOM 0 H LEU A 91 18.925 -4.965 -1.441 1.00 0.00 H new ATOM 0 HA LEU A 91 18.810 -7.314 -0.116 1.00 0.00 H new ATOM 0 HB2 LEU A 91 17.739 -5.150 0.516 1.00 0.00 H new ATOM 0 HB3 LEU A 91 16.479 -5.443 -0.667 1.00 0.00 H new ATOM 0 HG LEU A 91 16.019 -7.624 0.665 1.00 0.00 H new ATOM 0 HD11 LEU A 91 16.582 -7.471 3.057 1.00 0.00 H new ATOM 0 HD12 LEU A 91 18.039 -7.566 2.040 1.00 0.00 H new ATOM 0 HD13 LEU A 91 17.539 -6.006 2.734 1.00 0.00 H new ATOM 0 HD21 LEU A 91 14.530 -6.401 2.202 1.00 0.00 H new ATOM 0 HD22 LEU A 91 15.407 -4.894 1.845 1.00 0.00 H new ATOM 0 HD23 LEU A 91 14.490 -5.716 0.560 1.00 0.00 H new ATOM 1324 N PHE A 92 16.756 -7.409 -2.694 1.00 0.00 N ATOM 1325 CA PHE A 92 15.981 -8.306 -3.544 1.00 0.00 C ATOM 1326 C PHE A 92 16.822 -9.502 -3.981 1.00 0.00 C ATOM 1327 O PHE A 92 16.326 -10.626 -4.064 1.00 0.00 O ATOM 1328 CB PHE A 92 15.462 -7.557 -4.773 1.00 0.00 C ATOM 1329 CG PHE A 92 14.261 -6.701 -4.490 1.00 0.00 C ATOM 1330 CD1 PHE A 92 14.207 -5.914 -3.351 1.00 0.00 C ATOM 1331 CD2 PHE A 92 13.185 -6.684 -5.363 1.00 0.00 C ATOM 1332 CE1 PHE A 92 13.103 -5.124 -3.088 1.00 0.00 C ATOM 1333 CE2 PHE A 92 12.078 -5.897 -5.105 1.00 0.00 C ATOM 1334 CZ PHE A 92 12.037 -5.117 -3.966 1.00 0.00 C ATOM 0 H PHE A 92 16.794 -6.444 -3.023 1.00 0.00 H new ATOM 0 HA PHE A 92 15.133 -8.672 -2.965 1.00 0.00 H new ATOM 0 HB2 PHE A 92 16.260 -6.930 -5.170 1.00 0.00 H new ATOM 0 HB3 PHE A 92 15.209 -8.280 -5.549 1.00 0.00 H new ATOM 0 HD1 PHE A 92 15.037 -5.918 -2.660 1.00 0.00 H new ATOM 0 HD2 PHE A 92 13.211 -7.292 -6.255 1.00 0.00 H new ATOM 0 HE1 PHE A 92 13.074 -4.514 -2.198 1.00 0.00 H new ATOM 0 HE2 PHE A 92 11.246 -5.892 -5.794 1.00 0.00 H new ATOM 0 HZ PHE A 92 11.173 -4.502 -3.762 1.00 0.00 H new ATOM 1344 N ARG A 93 18.097 -9.251 -4.261 1.00 0.00 N ATOM 1345 CA ARG A 93 19.007 -10.306 -4.691 1.00 0.00 C ATOM 1346 C ARG A 93 19.339 -11.243 -3.534 1.00 0.00 C ATOM 1347 O ARG A 93 19.408 -12.459 -3.708 1.00 0.00 O ATOM 1348 CB ARG A 93 20.293 -9.700 -5.256 1.00 0.00 C ATOM 1349 CG ARG A 93 20.124 -9.092 -6.638 1.00 0.00 C ATOM 1350 CD ARG A 93 21.220 -8.082 -6.941 1.00 0.00 C ATOM 1351 NE ARG A 93 22.433 -8.724 -7.441 1.00 0.00 N ATOM 1352 CZ ARG A 93 23.563 -8.070 -7.686 1.00 0.00 C ATOM 1353 NH1 ARG A 93 23.635 -6.763 -7.476 1.00 0.00 N ATOM 1354 NH2 ARG A 93 24.624 -8.724 -8.140 1.00 0.00 N ATOM 0 H ARG A 93 18.523 -8.326 -4.198 1.00 0.00 H new ATOM 0 HA ARG A 93 18.511 -10.883 -5.472 1.00 0.00 H new ATOM 0 HB2 ARG A 93 20.654 -8.932 -4.572 1.00 0.00 H new ATOM 0 HB3 ARG A 93 21.060 -10.473 -5.300 1.00 0.00 H new ATOM 0 HG2 ARG A 93 20.139 -9.882 -7.388 1.00 0.00 H new ATOM 0 HG3 ARG A 93 19.151 -8.606 -6.706 1.00 0.00 H new ATOM 0 HD2 ARG A 93 20.859 -7.365 -7.679 1.00 0.00 H new ATOM 0 HD3 ARG A 93 21.454 -7.519 -6.037 1.00 0.00 H new ATOM 0 HE ARG A 93 22.411 -9.729 -7.611 1.00 0.00 H new ATOM 0 HH11 ARG A 93 22.822 -6.257 -7.125 1.00 0.00 H new ATOM 0 HH12 ARG A 93 24.504 -6.263 -7.665 1.00 0.00 H new ATOM 0 HH21 ARG A 93 24.573 -9.730 -8.301 1.00 0.00 H new ATOM 0 HH22 ARG A 93 25.491 -8.221 -8.328 1.00 0.00 H new ATOM 1368 N ASN A 94 19.543 -10.668 -2.353 1.00 0.00 N ATOM 1369 CA ASN A 94 19.869 -11.452 -1.167 1.00 0.00 C ATOM 1370 C ASN A 94 18.741 -12.422 -0.830 1.00 0.00 C ATOM 1371 O ASN A 94 18.982 -13.521 -0.331 1.00 0.00 O ATOM 1372 CB ASN A 94 20.136 -10.528 0.023 1.00 0.00 C ATOM 1373 CG ASN A 94 21.011 -11.181 1.076 1.00 0.00 C ATOM 1374 OD1 ASN A 94 22.132 -11.603 0.793 1.00 0.00 O ATOM 1375 ND2 ASN A 94 20.500 -11.266 2.299 1.00 0.00 N ATOM 0 H ASN A 94 19.488 -9.662 -2.192 1.00 0.00 H new ATOM 0 HA ASN A 94 20.769 -12.029 -1.379 1.00 0.00 H new ATOM 0 HB2 ASN A 94 20.616 -9.615 -0.330 1.00 0.00 H new ATOM 0 HB3 ASN A 94 19.187 -10.236 0.473 1.00 0.00 H new ATOM 0 HD21 ASN A 94 21.042 -11.695 3.049 1.00 0.00 H new ATOM 0 HD22 ASN A 94 19.566 -10.902 2.488 1.00 0.00 H new ATOM 1382 N ALA A 95 17.509 -12.007 -1.105 1.00 0.00 N ATOM 1383 CA ALA A 95 16.344 -12.839 -0.833 1.00 0.00 C ATOM 1384 C ALA A 95 16.598 -14.288 -1.235 1.00 0.00 C ATOM 1385 O ALA A 95 16.765 -15.159 -0.382 1.00 0.00 O ATOM 1386 CB ALA A 95 15.124 -12.294 -1.562 1.00 0.00 C ATOM 0 H ALA A 95 17.292 -11.099 -1.516 1.00 0.00 H new ATOM 0 HA ALA A 95 16.154 -12.815 0.240 1.00 0.00 H new ATOM 0 HB1 ALA A 95 14.261 -12.925 -1.350 1.00 0.00 H new ATOM 0 HB2 ALA A 95 14.922 -11.278 -1.224 1.00 0.00 H new ATOM 0 HB3 ALA A 95 15.314 -12.288 -2.635 1.00 0.00 H new ATOM 1392 N GLY A 96 16.626 -14.539 -2.541 1.00 0.00 N ATOM 1393 CA GLY A 96 16.860 -15.885 -3.032 1.00 0.00 C ATOM 1394 C GLY A 96 15.726 -16.389 -3.903 1.00 0.00 C ATOM 1395 O GLY A 96 15.138 -15.627 -4.671 1.00 0.00 O ATOM 0 H GLY A 96 16.491 -13.835 -3.267 1.00 0.00 H new ATOM 0 HA2 GLY A 96 17.789 -15.904 -3.603 1.00 0.00 H new ATOM 0 HA3 GLY A 96 16.992 -16.559 -2.186 1.00 0.00 H new ATOM 1399 N TYR A 97 15.419 -17.676 -3.786 1.00 0.00 N ATOM 1400 CA TYR A 97 14.352 -18.282 -4.572 1.00 0.00 C ATOM 1401 C TYR A 97 13.000 -17.670 -4.218 1.00 0.00 C ATOM 1402 O TYR A 97 12.377 -16.996 -5.038 1.00 0.00 O ATOM 1403 CB TYR A 97 14.315 -19.794 -4.342 1.00 0.00 C ATOM 1404 CG TYR A 97 13.582 -20.553 -5.424 1.00 0.00 C ATOM 1405 CD1 TYR A 97 14.088 -20.623 -6.717 1.00 0.00 C ATOM 1406 CD2 TYR A 97 12.382 -21.201 -5.155 1.00 0.00 C ATOM 1407 CE1 TYR A 97 13.420 -21.315 -7.709 1.00 0.00 C ATOM 1408 CE2 TYR A 97 11.709 -21.897 -6.140 1.00 0.00 C ATOM 1409 CZ TYR A 97 12.232 -21.951 -7.415 1.00 0.00 C ATOM 1410 OH TYR A 97 11.564 -22.641 -8.400 1.00 0.00 O ATOM 0 H TYR A 97 15.895 -18.320 -3.154 1.00 0.00 H new ATOM 0 HA TYR A 97 14.555 -18.086 -5.625 1.00 0.00 H new ATOM 0 HB2 TYR A 97 15.337 -20.168 -4.276 1.00 0.00 H new ATOM 0 HB3 TYR A 97 13.839 -19.996 -3.382 1.00 0.00 H new ATOM 0 HD1 TYR A 97 15.019 -20.128 -6.950 1.00 0.00 H new ATOM 0 HD2 TYR A 97 11.969 -21.159 -4.158 1.00 0.00 H new ATOM 0 HE1 TYR A 97 13.826 -21.358 -8.709 1.00 0.00 H new ATOM 0 HE2 TYR A 97 10.779 -22.396 -5.913 1.00 0.00 H new ATOM 0 HH TYR A 97 10.746 -23.032 -8.028 1.00 0.00 H new ATOM 1420 N ALA A 98 12.552 -17.910 -2.990 1.00 0.00 N ATOM 1421 CA ALA A 98 11.276 -17.381 -2.525 1.00 0.00 C ATOM 1422 C ALA A 98 11.412 -15.927 -2.085 1.00 0.00 C ATOM 1423 O ALA A 98 12.021 -15.634 -1.056 1.00 0.00 O ATOM 1424 CB ALA A 98 10.737 -18.231 -1.384 1.00 0.00 C ATOM 0 H ALA A 98 13.054 -18.468 -2.299 1.00 0.00 H new ATOM 0 HA ALA A 98 10.571 -17.418 -3.356 1.00 0.00 H new ATOM 0 HB1 ALA A 98 9.784 -17.825 -1.046 1.00 0.00 H new ATOM 0 HB2 ALA A 98 10.593 -19.255 -1.729 1.00 0.00 H new ATOM 0 HB3 ALA A 98 11.448 -18.224 -0.558 1.00 0.00 H new ATOM 1430 N VAL A 99 10.841 -15.020 -2.872 1.00 0.00 N ATOM 1431 CA VAL A 99 10.898 -13.596 -2.563 1.00 0.00 C ATOM 1432 C VAL A 99 9.577 -13.107 -1.981 1.00 0.00 C ATOM 1433 O VAL A 99 8.555 -13.084 -2.667 1.00 0.00 O ATOM 1434 CB VAL A 99 11.235 -12.764 -3.814 1.00 0.00 C ATOM 1435 CG1 VAL A 99 11.262 -11.281 -3.478 1.00 0.00 C ATOM 1436 CG2 VAL A 99 12.564 -13.208 -4.408 1.00 0.00 C ATOM 0 H VAL A 99 10.334 -15.246 -3.728 1.00 0.00 H new ATOM 0 HA VAL A 99 11.688 -13.463 -1.824 1.00 0.00 H new ATOM 0 HB VAL A 99 10.457 -12.930 -4.559 1.00 0.00 H new ATOM 0 HG11 VAL A 99 11.502 -10.709 -4.374 1.00 0.00 H new ATOM 0 HG12 VAL A 99 10.285 -10.975 -3.103 1.00 0.00 H new ATOM 0 HG13 VAL A 99 12.018 -11.094 -2.715 1.00 0.00 H new ATOM 0 HG21 VAL A 99 12.786 -12.609 -5.291 1.00 0.00 H new ATOM 0 HG22 VAL A 99 13.355 -13.074 -3.670 1.00 0.00 H new ATOM 0 HG23 VAL A 99 12.504 -14.260 -4.688 1.00 0.00 H new ATOM 1446 N SER A 100 9.605 -12.715 -0.711 1.00 0.00 N ATOM 1447 CA SER A 100 8.408 -12.229 -0.035 1.00 0.00 C ATOM 1448 C SER A 100 8.323 -10.707 -0.110 1.00 0.00 C ATOM 1449 O SER A 100 9.053 -9.997 0.583 1.00 0.00 O ATOM 1450 CB SER A 100 8.404 -12.679 1.427 1.00 0.00 C ATOM 1451 OG SER A 100 9.725 -12.850 1.912 1.00 0.00 O ATOM 0 H SER A 100 10.443 -12.725 -0.130 1.00 0.00 H new ATOM 0 HA SER A 100 7.539 -12.650 -0.540 1.00 0.00 H new ATOM 0 HB2 SER A 100 7.882 -11.941 2.036 1.00 0.00 H new ATOM 0 HB3 SER A 100 7.855 -13.616 1.521 1.00 0.00 H new ATOM 0 HG SER A 100 10.258 -12.057 1.695 1.00 0.00 H new ATOM 1457 N LEU A 101 7.426 -10.213 -0.956 1.00 0.00 N ATOM 1458 CA LEU A 101 7.243 -8.775 -1.124 1.00 0.00 C ATOM 1459 C LEU A 101 5.906 -8.325 -0.543 1.00 0.00 C ATOM 1460 O LEU A 101 4.844 -8.673 -1.061 1.00 0.00 O ATOM 1461 CB LEU A 101 7.321 -8.400 -2.605 1.00 0.00 C ATOM 1462 CG LEU A 101 8.505 -8.977 -3.381 1.00 0.00 C ATOM 1463 CD1 LEU A 101 8.333 -8.737 -4.873 1.00 0.00 C ATOM 1464 CD2 LEU A 101 9.812 -8.373 -2.889 1.00 0.00 C ATOM 0 H LEU A 101 6.814 -10.787 -1.536 1.00 0.00 H new ATOM 0 HA LEU A 101 8.042 -8.267 -0.585 1.00 0.00 H new ATOM 0 HB2 LEU A 101 6.401 -8.725 -3.091 1.00 0.00 H new ATOM 0 HB3 LEU A 101 7.356 -7.313 -2.683 1.00 0.00 H new ATOM 0 HG LEU A 101 8.538 -10.053 -3.208 1.00 0.00 H new ATOM 0 HD11 LEU A 101 9.185 -9.154 -5.409 1.00 0.00 H new ATOM 0 HD12 LEU A 101 7.417 -9.219 -5.216 1.00 0.00 H new ATOM 0 HD13 LEU A 101 8.273 -7.666 -5.065 1.00 0.00 H new ATOM 0 HD21 LEU A 101 10.643 -8.796 -3.453 1.00 0.00 H new ATOM 0 HD22 LEU A 101 9.790 -7.292 -3.031 1.00 0.00 H new ATOM 0 HD23 LEU A 101 9.941 -8.597 -1.830 1.00 0.00 H new ATOM 1476 N ARG A 102 5.965 -7.548 0.533 1.00 0.00 N ATOM 1477 CA ARG A 102 4.759 -7.050 1.183 1.00 0.00 C ATOM 1478 C ARG A 102 4.389 -5.667 0.654 1.00 0.00 C ATOM 1479 O ARG A 102 4.957 -4.658 1.072 1.00 0.00 O ATOM 1480 CB ARG A 102 4.958 -6.991 2.699 1.00 0.00 C ATOM 1481 CG ARG A 102 3.666 -6.797 3.475 1.00 0.00 C ATOM 1482 CD ARG A 102 3.922 -6.161 4.833 1.00 0.00 C ATOM 1483 NE ARG A 102 4.192 -7.160 5.863 1.00 0.00 N ATOM 1484 CZ ARG A 102 3.274 -7.996 6.335 1.00 0.00 C ATOM 1485 NH1 ARG A 102 2.033 -7.953 5.872 1.00 0.00 N ATOM 1486 NH2 ARG A 102 3.597 -8.877 7.273 1.00 0.00 N ATOM 0 H ARG A 102 6.835 -7.250 0.973 1.00 0.00 H new ATOM 0 HA ARG A 102 3.944 -7.738 0.957 1.00 0.00 H new ATOM 0 HB2 ARG A 102 5.436 -7.913 3.030 1.00 0.00 H new ATOM 0 HB3 ARG A 102 5.640 -6.175 2.936 1.00 0.00 H new ATOM 0 HG2 ARG A 102 2.986 -6.169 2.900 1.00 0.00 H new ATOM 0 HG3 ARG A 102 3.173 -7.760 3.610 1.00 0.00 H new ATOM 0 HD2 ARG A 102 4.768 -5.478 4.760 1.00 0.00 H new ATOM 0 HD3 ARG A 102 3.056 -5.566 5.123 1.00 0.00 H new ATOM 0 HE ARG A 102 5.138 -7.219 6.241 1.00 0.00 H new ATOM 0 HH11 ARG A 102 1.781 -7.277 5.151 1.00 0.00 H new ATOM 0 HH12 ARG A 102 1.330 -8.596 6.236 1.00 0.00 H new ATOM 0 HH21 ARG A 102 4.551 -8.913 7.632 1.00 0.00 H new ATOM 0 HH22 ARG A 102 2.891 -9.519 7.635 1.00 0.00 H new ATOM 1500 N VAL A 103 3.432 -5.629 -0.268 1.00 0.00 N ATOM 1501 CA VAL A 103 2.985 -4.371 -0.854 1.00 0.00 C ATOM 1502 C VAL A 103 1.640 -3.943 -0.277 1.00 0.00 C ATOM 1503 O VAL A 103 0.910 -4.757 0.287 1.00 0.00 O ATOM 1504 CB VAL A 103 2.864 -4.477 -2.386 1.00 0.00 C ATOM 1505 CG1 VAL A 103 4.223 -4.749 -3.011 1.00 0.00 C ATOM 1506 CG2 VAL A 103 1.865 -5.559 -2.767 1.00 0.00 C ATOM 0 H VAL A 103 2.952 -6.455 -0.625 1.00 0.00 H new ATOM 0 HA VAL A 103 3.738 -3.622 -0.608 1.00 0.00 H new ATOM 0 HB VAL A 103 2.498 -3.525 -2.772 1.00 0.00 H new ATOM 0 HG11 VAL A 103 4.118 -4.821 -4.094 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.906 -3.935 -2.766 1.00 0.00 H new ATOM 0 HG13 VAL A 103 4.621 -5.686 -2.622 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.792 -5.621 -3.853 1.00 0.00 H new ATOM 0 HG22 VAL A 103 2.199 -6.518 -2.371 1.00 0.00 H new ATOM 0 HG23 VAL A 103 0.888 -5.315 -2.351 1.00 0.00 H new ATOM 1516 N GLN A 104 1.320 -2.662 -0.424 1.00 0.00 N ATOM 1517 CA GLN A 104 0.062 -2.126 0.083 1.00 0.00 C ATOM 1518 C GLN A 104 -0.909 -1.845 -1.059 1.00 0.00 C ATOM 1519 O GLN A 104 -0.603 -1.079 -1.973 1.00 0.00 O ATOM 1520 CB GLN A 104 0.313 -0.846 0.882 1.00 0.00 C ATOM 1521 CG GLN A 104 -0.945 -0.257 1.499 1.00 0.00 C ATOM 1522 CD GLN A 104 -0.656 0.939 2.384 1.00 0.00 C ATOM 1523 OE1 GLN A 104 -0.736 2.086 1.942 1.00 0.00 O ATOM 1524 NE2 GLN A 104 -0.319 0.678 3.641 1.00 0.00 N ATOM 0 H GLN A 104 1.914 -1.976 -0.890 1.00 0.00 H new ATOM 0 HA GLN A 104 -0.384 -2.873 0.739 1.00 0.00 H new ATOM 0 HB2 GLN A 104 1.031 -1.057 1.674 1.00 0.00 H new ATOM 0 HB3 GLN A 104 0.769 -0.103 0.228 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -1.630 0.041 0.705 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -1.451 -1.024 2.085 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -0.265 -0.288 3.965 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -0.114 1.443 4.283 1.00 0.00 H new ATOM 1533 N HIS A 105 -2.082 -2.469 -0.999 1.00 0.00 N ATOM 1534 CA HIS A 105 -3.098 -2.286 -2.029 1.00 0.00 C ATOM 1535 C HIS A 105 -3.905 -1.015 -1.776 1.00 0.00 C ATOM 1536 O HIS A 105 -4.861 -1.020 -1.001 1.00 0.00 O ATOM 1537 CB HIS A 105 -4.032 -3.495 -2.075 1.00 0.00 C ATOM 1538 CG HIS A 105 -3.365 -4.749 -2.551 1.00 0.00 C ATOM 1539 ND1 HIS A 105 -2.565 -4.796 -3.673 1.00 0.00 N ATOM 1540 CD2 HIS A 105 -3.381 -6.006 -2.050 1.00 0.00 C ATOM 1541 CE1 HIS A 105 -2.119 -6.028 -3.842 1.00 0.00 C ATOM 1542 NE2 HIS A 105 -2.600 -6.782 -2.870 1.00 0.00 N ATOM 0 H HIS A 105 -2.352 -3.105 -0.249 1.00 0.00 H new ATOM 0 HA HIS A 105 -2.592 -2.190 -2.990 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -4.441 -3.666 -1.079 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -4.873 -3.269 -2.730 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -3.910 -6.337 -1.169 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -1.471 -6.362 -4.639 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -2.420 -7.779 -2.748 1.00 0.00 H new ATOM 1550 N ARG A 106 -3.511 0.071 -2.433 1.00 0.00 N ATOM 1551 CA ARG A 106 -4.196 1.348 -2.278 1.00 0.00 C ATOM 1552 C ARG A 106 -5.209 1.563 -3.399 1.00 0.00 C ATOM 1553 O ARG A 106 -4.873 2.089 -4.461 1.00 0.00 O ATOM 1554 CB ARG A 106 -3.184 2.495 -2.263 1.00 0.00 C ATOM 1555 CG ARG A 106 -2.181 2.408 -1.125 1.00 0.00 C ATOM 1556 CD ARG A 106 -1.032 3.386 -1.319 1.00 0.00 C ATOM 1557 NE ARG A 106 0.021 2.833 -2.166 1.00 0.00 N ATOM 1558 CZ ARG A 106 0.055 2.979 -3.486 1.00 0.00 C ATOM 1559 NH1 ARG A 106 -0.901 3.657 -4.106 1.00 0.00 N ATOM 1560 NH2 ARG A 106 1.047 2.446 -4.188 1.00 0.00 N ATOM 0 H ARG A 106 -2.721 0.092 -3.078 1.00 0.00 H new ATOM 0 HA ARG A 106 -4.731 1.331 -1.328 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -2.645 2.505 -3.211 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -3.721 3.441 -2.191 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -2.682 2.617 -0.180 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -1.789 1.393 -1.061 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -1.410 4.306 -1.765 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -0.614 3.651 -0.348 1.00 0.00 H new ATOM 0 HE ARG A 106 0.772 2.306 -1.720 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -1.665 4.068 -3.569 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -0.873 3.768 -5.120 1.00 0.00 H new ATOM 0 HH21 ARG A 106 1.784 1.924 -3.714 1.00 0.00 H new ATOM 0 HH22 ARG A 106 1.072 2.558 -5.201 1.00 0.00 H new