USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 548 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 GLN : amide:sc= -0.552 K(o=-0.55,f=-1.7!) USER MOD Single : A 11 ASN : amide:sc= -0.757 K(o=-0.76,f=-3.8!) USER MOD Single : A 25 THR OG1 : rot -77:sc= 1.19 USER MOD Single : A 26 THR OG1 : rot -170:sc= -0.729 USER MOD Single : A 32 LYS NZ :NH3+ -157:sc= 1.76 (180deg=0.023!) USER MOD Single : A 34 LYS NZ :NH3+ -175:sc= 1.27 (180deg=1.21) USER MOD Single : A 39 LYS NZ :NH3+ 156:sc= 1.23 (180deg=1.22) USER MOD Single : A 41 SER OG : rot 180:sc= 0.0476 USER MOD Single : A 43 SER OG : rot -36:sc= 0.583 USER MOD Single : A 50 GLN : amide:sc= -0.221 K(o=-0.22,f=-0.97) USER MOD Single : A 51 LYS NZ :NH3+ -172:sc= 1.08 (180deg=0.749) USER MOD Single : A 54 SER OG : rot 180:sc= -0.35 USER MOD Single : A 58 GLN : amide:sc= 0.0978 K(o=0.098,f=-3.9!) USER MOD Single : A 60 GLN : amide:sc= 0.472 K(o=0.47,f=-0.3) USER MOD Single : A 61 HIS : no HE2:sc= 0.344 K(o=0.34,f=-1.2) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.341 USER MOD Single : A 66 SER OG : rot 59:sc= 1.21 USER MOD Single : A 67 CYS SG : rot 0:sc= 0.328 USER MOD Single : A 75 LYS NZ :NH3+ -154:sc= 1.26 (180deg=0.869) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -1.78! K(o=-1.8!,f=-0.19) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 134 N GLN A 9 0.354 13.212 -11.145 1.00 0.00 N ATOM 135 CA GLN A 9 0.964 12.641 -9.955 1.00 0.00 C ATOM 136 C GLN A 9 2.375 12.160 -10.259 1.00 0.00 C ATOM 137 O GLN A 9 2.735 11.958 -11.420 1.00 0.00 O ATOM 138 CB GLN A 9 0.121 11.489 -9.384 1.00 0.00 C ATOM 139 CG GLN A 9 -0.143 10.339 -10.349 1.00 0.00 C ATOM 140 CD GLN A 9 -1.224 10.647 -11.370 1.00 0.00 C ATOM 141 OE1 GLN A 9 -2.133 11.432 -11.114 1.00 0.00 O ATOM 142 NE2 GLN A 9 -1.142 10.013 -12.530 1.00 0.00 N ATOM 0 HA GLN A 9 1.011 13.426 -9.200 1.00 0.00 H new ATOM 0 HB2 GLN A 9 0.625 11.094 -8.502 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -0.836 11.890 -9.051 1.00 0.00 H new ATOM 0 HG2 GLN A 9 0.781 10.093 -10.872 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -0.432 9.455 -9.780 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -0.371 9.368 -12.705 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -1.849 10.170 -13.248 1.00 0.00 H new ATOM 151 N ASP A 10 3.164 11.960 -9.209 1.00 0.00 N ATOM 152 CA ASP A 10 4.569 11.596 -9.360 1.00 0.00 C ATOM 153 C ASP A 10 4.702 10.129 -9.776 1.00 0.00 C ATOM 154 O ASP A 10 3.699 9.434 -9.966 1.00 0.00 O ATOM 155 CB ASP A 10 5.323 11.851 -8.049 1.00 0.00 C ATOM 156 CG ASP A 10 6.766 12.269 -8.270 1.00 0.00 C ATOM 157 OD1 ASP A 10 7.558 11.457 -8.790 1.00 0.00 O ATOM 158 OD2 ASP A 10 7.116 13.420 -7.919 1.00 0.00 O ATOM 0 H ASP A 10 2.854 12.044 -8.241 1.00 0.00 H new ATOM 0 HA ASP A 10 5.007 12.215 -10.143 1.00 0.00 H new ATOM 0 HB2 ASP A 10 4.807 12.628 -7.484 1.00 0.00 H new ATOM 0 HB3 ASP A 10 5.301 10.947 -7.441 1.00 0.00 H new ATOM 163 N ASN A 11 5.932 9.661 -9.915 1.00 0.00 N ATOM 164 CA ASN A 11 6.188 8.304 -10.378 1.00 0.00 C ATOM 165 C ASN A 11 7.049 7.545 -9.377 1.00 0.00 C ATOM 166 O ASN A 11 8.161 7.965 -9.044 1.00 0.00 O ATOM 167 CB ASN A 11 6.865 8.330 -11.751 1.00 0.00 C ATOM 168 CG ASN A 11 7.248 6.945 -12.240 1.00 0.00 C ATOM 169 OD1 ASN A 11 6.441 6.242 -12.848 1.00 0.00 O ATOM 170 ND2 ASN A 11 8.490 6.554 -12.000 1.00 0.00 N ATOM 0 H ASN A 11 6.773 10.202 -9.713 1.00 0.00 H new ATOM 0 HA ASN A 11 5.233 7.787 -10.468 1.00 0.00 H new ATOM 0 HB2 ASN A 11 6.194 8.794 -12.474 1.00 0.00 H new ATOM 0 HB3 ASN A 11 7.758 8.953 -11.700 1.00 0.00 H new ATOM 0 HD21 ASN A 11 8.808 5.640 -12.323 1.00 0.00 H new ATOM 0 HD22 ASN A 11 9.128 7.167 -11.492 1.00 0.00 H new ATOM 177 N PHE A 12 6.532 6.421 -8.909 1.00 0.00 N ATOM 178 CA PHE A 12 7.215 5.622 -7.905 1.00 0.00 C ATOM 179 C PHE A 12 7.914 4.428 -8.538 1.00 0.00 C ATOM 180 O PHE A 12 7.419 3.837 -9.500 1.00 0.00 O ATOM 181 CB PHE A 12 6.222 5.119 -6.851 1.00 0.00 C ATOM 182 CG PHE A 12 5.629 6.204 -5.999 1.00 0.00 C ATOM 183 CD1 PHE A 12 4.573 6.972 -6.459 1.00 0.00 C ATOM 184 CD2 PHE A 12 6.130 6.449 -4.732 1.00 0.00 C ATOM 185 CE1 PHE A 12 4.028 7.967 -5.671 1.00 0.00 C ATOM 186 CE2 PHE A 12 5.590 7.443 -3.938 1.00 0.00 C ATOM 187 CZ PHE A 12 4.536 8.204 -4.408 1.00 0.00 C ATOM 0 H PHE A 12 5.636 6.039 -9.211 1.00 0.00 H new ATOM 0 HA PHE A 12 7.961 6.260 -7.430 1.00 0.00 H new ATOM 0 HB2 PHE A 12 5.415 4.585 -7.353 1.00 0.00 H new ATOM 0 HB3 PHE A 12 6.727 4.400 -6.206 1.00 0.00 H new ATOM 0 HD1 PHE A 12 4.171 6.791 -7.445 1.00 0.00 H new ATOM 0 HD2 PHE A 12 6.953 5.856 -4.360 1.00 0.00 H new ATOM 0 HE1 PHE A 12 3.205 8.560 -6.042 1.00 0.00 H new ATOM 0 HE2 PHE A 12 5.991 7.625 -2.952 1.00 0.00 H new ATOM 0 HZ PHE A 12 4.111 8.981 -3.790 1.00 0.00 H new ATOM 197 N VAL A 13 9.066 4.082 -7.991 1.00 0.00 N ATOM 198 CA VAL A 13 9.758 2.868 -8.373 1.00 0.00 C ATOM 199 C VAL A 13 9.642 1.858 -7.238 1.00 0.00 C ATOM 200 O VAL A 13 10.315 1.957 -6.208 1.00 0.00 O ATOM 201 CB VAL A 13 11.242 3.122 -8.749 1.00 0.00 C ATOM 202 CG1 VAL A 13 11.950 3.954 -7.694 1.00 0.00 C ATOM 203 CG2 VAL A 13 11.978 1.806 -8.979 1.00 0.00 C ATOM 0 H VAL A 13 9.543 4.631 -7.276 1.00 0.00 H new ATOM 0 HA VAL A 13 9.286 2.471 -9.272 1.00 0.00 H new ATOM 0 HB VAL A 13 11.251 3.689 -9.680 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.987 4.112 -7.991 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.450 4.918 -7.595 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.922 3.430 -6.738 1.00 0.00 H new ATOM 0 HG21 VAL A 13 13.016 2.011 -9.241 1.00 0.00 H new ATOM 0 HG22 VAL A 13 11.945 1.207 -8.069 1.00 0.00 H new ATOM 0 HG23 VAL A 13 11.500 1.259 -9.791 1.00 0.00 H new ATOM 213 N VAL A 14 8.738 0.917 -7.417 1.00 0.00 N ATOM 214 CA VAL A 14 8.438 -0.056 -6.387 1.00 0.00 C ATOM 215 C VAL A 14 9.380 -1.245 -6.473 1.00 0.00 C ATOM 216 O VAL A 14 9.516 -1.867 -7.527 1.00 0.00 O ATOM 217 CB VAL A 14 6.978 -0.543 -6.498 1.00 0.00 C ATOM 218 CG1 VAL A 14 6.690 -1.640 -5.488 1.00 0.00 C ATOM 219 CG2 VAL A 14 6.016 0.619 -6.303 1.00 0.00 C ATOM 0 H VAL A 14 8.195 0.805 -8.273 1.00 0.00 H new ATOM 0 HA VAL A 14 8.575 0.434 -5.423 1.00 0.00 H new ATOM 0 HB VAL A 14 6.835 -0.955 -7.497 1.00 0.00 H new ATOM 0 HG11 VAL A 14 5.654 -1.964 -5.589 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.354 -2.485 -5.669 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.855 -1.259 -4.480 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.990 0.260 -6.384 1.00 0.00 H new ATOM 0 HG22 VAL A 14 6.170 1.057 -5.317 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.198 1.374 -7.068 1.00 0.00 H new ATOM 229 N LEU A 15 10.038 -1.539 -5.366 1.00 0.00 N ATOM 230 CA LEU A 15 10.880 -2.713 -5.277 1.00 0.00 C ATOM 231 C LEU A 15 10.126 -3.806 -4.541 1.00 0.00 C ATOM 232 O LEU A 15 9.868 -3.696 -3.341 1.00 0.00 O ATOM 233 CB LEU A 15 12.200 -2.395 -4.570 1.00 0.00 C ATOM 234 CG LEU A 15 13.047 -1.303 -5.230 1.00 0.00 C ATOM 235 CD1 LEU A 15 14.368 -1.141 -4.500 1.00 0.00 C ATOM 236 CD2 LEU A 15 13.286 -1.617 -6.702 1.00 0.00 C ATOM 0 H LEU A 15 10.004 -0.978 -4.515 1.00 0.00 H new ATOM 0 HA LEU A 15 11.126 -3.053 -6.283 1.00 0.00 H new ATOM 0 HB2 LEU A 15 11.981 -2.093 -3.546 1.00 0.00 H new ATOM 0 HB3 LEU A 15 12.793 -3.308 -4.514 1.00 0.00 H new ATOM 0 HG LEU A 15 12.499 -0.363 -5.167 1.00 0.00 H new ATOM 0 HD11 LEU A 15 14.957 -0.361 -4.982 1.00 0.00 H new ATOM 0 HD12 LEU A 15 14.179 -0.864 -3.463 1.00 0.00 H new ATOM 0 HD13 LEU A 15 14.918 -2.082 -4.530 1.00 0.00 H new ATOM 0 HD21 LEU A 15 13.890 -0.827 -7.149 1.00 0.00 H new ATOM 0 HD22 LEU A 15 13.810 -2.569 -6.791 1.00 0.00 H new ATOM 0 HD23 LEU A 15 12.329 -1.680 -7.221 1.00 0.00 H new ATOM 248 N GLU A 16 9.750 -4.841 -5.266 1.00 0.00 N ATOM 249 CA GLU A 16 8.928 -5.894 -4.705 1.00 0.00 C ATOM 250 C GLU A 16 9.407 -7.244 -5.222 1.00 0.00 C ATOM 251 O GLU A 16 10.423 -7.324 -5.914 1.00 0.00 O ATOM 252 CB GLU A 16 7.457 -5.657 -5.077 1.00 0.00 C ATOM 253 CG GLU A 16 6.464 -6.203 -4.064 1.00 0.00 C ATOM 254 CD GLU A 16 5.533 -7.236 -4.658 1.00 0.00 C ATOM 255 OE1 GLU A 16 5.920 -8.415 -4.722 1.00 0.00 O ATOM 256 OE2 GLU A 16 4.411 -6.873 -5.061 1.00 0.00 O ATOM 0 H GLU A 16 10.001 -4.975 -6.246 1.00 0.00 H new ATOM 0 HA GLU A 16 9.013 -5.888 -3.618 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.291 -4.586 -5.192 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.260 -6.116 -6.046 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.008 -6.647 -3.231 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.876 -5.380 -3.658 1.00 0.00 H new ATOM 354 N PHE A 23 7.531 0.997 -13.849 1.00 0.00 N ATOM 355 CA PHE A 23 7.218 2.101 -12.942 1.00 0.00 C ATOM 356 C PHE A 23 5.716 2.330 -12.863 1.00 0.00 C ATOM 357 O PHE A 23 4.994 2.090 -13.830 1.00 0.00 O ATOM 358 CB PHE A 23 7.906 3.388 -13.410 1.00 0.00 C ATOM 359 CG PHE A 23 9.408 3.318 -13.408 1.00 0.00 C ATOM 360 CD1 PHE A 23 10.123 3.517 -12.238 1.00 0.00 C ATOM 361 CD2 PHE A 23 10.105 3.052 -14.577 1.00 0.00 C ATOM 362 CE1 PHE A 23 11.503 3.450 -12.232 1.00 0.00 C ATOM 363 CE2 PHE A 23 11.485 2.983 -14.577 1.00 0.00 C ATOM 364 CZ PHE A 23 12.185 3.183 -13.403 1.00 0.00 C ATOM 0 HA PHE A 23 7.586 1.834 -11.951 1.00 0.00 H new ATOM 0 HB2 PHE A 23 7.565 3.623 -14.418 1.00 0.00 H new ATOM 0 HB3 PHE A 23 7.591 4.210 -12.767 1.00 0.00 H new ATOM 0 HD1 PHE A 23 9.595 3.727 -11.319 1.00 0.00 H new ATOM 0 HD2 PHE A 23 9.563 2.897 -15.498 1.00 0.00 H new ATOM 0 HE1 PHE A 23 12.048 3.606 -11.313 1.00 0.00 H new ATOM 0 HE2 PHE A 23 12.016 2.773 -15.494 1.00 0.00 H new ATOM 0 HZ PHE A 23 13.264 3.131 -13.401 1.00 0.00 H new ATOM 374 N LEU A 24 5.249 2.801 -11.717 1.00 0.00 N ATOM 375 CA LEU A 24 3.830 3.063 -11.525 1.00 0.00 C ATOM 376 C LEU A 24 3.619 4.369 -10.767 1.00 0.00 C ATOM 377 O LEU A 24 4.397 4.716 -9.876 1.00 0.00 O ATOM 378 CB LEU A 24 3.135 1.896 -10.798 1.00 0.00 C ATOM 379 CG LEU A 24 3.758 1.438 -9.473 1.00 0.00 C ATOM 380 CD1 LEU A 24 2.709 0.740 -8.623 1.00 0.00 C ATOM 381 CD2 LEU A 24 4.926 0.489 -9.718 1.00 0.00 C ATOM 0 H LEU A 24 5.831 3.010 -10.906 1.00 0.00 H new ATOM 0 HA LEU A 24 3.376 3.158 -12.511 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.101 2.183 -10.606 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.109 1.042 -11.474 1.00 0.00 H new ATOM 0 HG LEU A 24 4.130 2.319 -8.950 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.158 0.417 -7.684 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.891 1.430 -8.416 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.325 -0.128 -9.159 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.350 0.179 -8.763 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.574 -0.389 -10.260 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.690 0.997 -10.306 1.00 0.00 H new ATOM 393 N THR A 25 2.574 5.098 -11.141 1.00 0.00 N ATOM 394 CA THR A 25 2.267 6.374 -10.509 1.00 0.00 C ATOM 395 C THR A 25 1.526 6.176 -9.191 1.00 0.00 C ATOM 396 O THR A 25 1.196 5.049 -8.817 1.00 0.00 O ATOM 397 CB THR A 25 1.418 7.268 -11.434 1.00 0.00 C ATOM 398 OG1 THR A 25 0.271 6.546 -11.902 1.00 0.00 O ATOM 399 CG2 THR A 25 2.236 7.763 -12.616 1.00 0.00 C ATOM 0 H THR A 25 1.925 4.826 -11.879 1.00 0.00 H new ATOM 0 HA THR A 25 3.220 6.865 -10.313 1.00 0.00 H new ATOM 0 HB THR A 25 1.088 8.133 -10.859 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.542 5.922 -12.608 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.613 8.391 -13.252 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.085 8.343 -12.254 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.598 6.910 -13.191 1.00 0.00 H new ATOM 407 N THR A 26 1.264 7.282 -8.499 1.00 0.00 N ATOM 408 CA THR A 26 0.544 7.263 -7.230 1.00 0.00 C ATOM 409 C THR A 26 -0.803 6.544 -7.357 1.00 0.00 C ATOM 410 O THR A 26 -1.195 5.777 -6.479 1.00 0.00 O ATOM 411 CB THR A 26 0.303 8.702 -6.735 1.00 0.00 C ATOM 412 OG1 THR A 26 1.488 9.484 -6.946 1.00 0.00 O ATOM 413 CG2 THR A 26 -0.065 8.721 -5.257 1.00 0.00 C ATOM 0 H THR A 26 1.545 8.215 -8.802 1.00 0.00 H new ATOM 0 HA THR A 26 1.160 6.720 -6.513 1.00 0.00 H new ATOM 0 HB THR A 26 -0.528 9.125 -7.299 1.00 0.00 H new ATOM 0 HG1 THR A 26 1.395 10.348 -6.493 1.00 0.00 H new ATOM 0 HG21 THR A 26 -0.229 9.750 -4.936 1.00 0.00 H new ATOM 0 HG22 THR A 26 -0.976 8.143 -5.101 1.00 0.00 H new ATOM 0 HG23 THR A 26 0.746 8.284 -4.674 1.00 0.00 H new ATOM 421 N ILE A 27 -1.494 6.783 -8.467 1.00 0.00 N ATOM 422 CA ILE A 27 -2.806 6.185 -8.700 1.00 0.00 C ATOM 423 C ILE A 27 -2.693 4.668 -8.848 1.00 0.00 C ATOM 424 O ILE A 27 -3.474 3.915 -8.268 1.00 0.00 O ATOM 425 CB ILE A 27 -3.468 6.780 -9.964 1.00 0.00 C ATOM 426 CG1 ILE A 27 -3.646 8.296 -9.814 1.00 0.00 C ATOM 427 CG2 ILE A 27 -4.809 6.110 -10.242 1.00 0.00 C ATOM 428 CD1 ILE A 27 -4.498 8.701 -8.629 1.00 0.00 C ATOM 0 H ILE A 27 -1.167 7.387 -9.221 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.429 6.412 -7.835 1.00 0.00 H new ATOM 0 HB ILE A 27 -2.811 6.590 -10.813 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.664 8.759 -9.718 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.097 8.691 -10.725 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -5.255 6.546 -11.136 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -4.657 5.042 -10.396 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -5.475 6.263 -9.393 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -4.576 9.788 -8.592 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -5.493 8.269 -8.732 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -4.038 8.339 -7.710 1.00 0.00 H new ATOM 440 N GLU A 28 -1.699 4.232 -9.608 1.00 0.00 N ATOM 441 CA GLU A 28 -1.484 2.814 -9.856 1.00 0.00 C ATOM 442 C GLU A 28 -0.992 2.118 -8.591 1.00 0.00 C ATOM 443 O GLU A 28 -1.365 0.979 -8.306 1.00 0.00 O ATOM 444 CB GLU A 28 -0.481 2.641 -10.994 1.00 0.00 C ATOM 445 CG GLU A 28 -0.934 3.308 -12.285 1.00 0.00 C ATOM 446 CD GLU A 28 0.156 3.377 -13.330 1.00 0.00 C ATOM 447 OE1 GLU A 28 0.933 4.358 -13.311 1.00 0.00 O ATOM 448 OE2 GLU A 28 0.230 2.464 -14.180 1.00 0.00 O ATOM 0 H GLU A 28 -1.024 4.845 -10.066 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.429 2.354 -10.145 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.480 3.058 -10.692 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.324 1.578 -11.175 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.784 2.760 -12.691 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.281 4.317 -12.063 1.00 0.00 H new ATOM 455 N LEU A 29 -0.163 2.822 -7.827 1.00 0.00 N ATOM 456 CA LEU A 29 0.328 2.314 -6.553 1.00 0.00 C ATOM 457 C LEU A 29 -0.826 2.126 -5.578 1.00 0.00 C ATOM 458 O LEU A 29 -0.847 1.162 -4.812 1.00 0.00 O ATOM 459 CB LEU A 29 1.369 3.270 -5.968 1.00 0.00 C ATOM 460 CG LEU A 29 1.938 2.874 -4.605 1.00 0.00 C ATOM 461 CD1 LEU A 29 2.678 1.549 -4.693 1.00 0.00 C ATOM 462 CD2 LEU A 29 2.858 3.967 -4.084 1.00 0.00 C ATOM 0 H LEU A 29 0.184 3.750 -8.070 1.00 0.00 H new ATOM 0 HA LEU A 29 0.800 1.346 -6.722 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.194 3.357 -6.675 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.919 4.259 -5.880 1.00 0.00 H new ATOM 0 HG LEU A 29 1.110 2.752 -3.907 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.074 1.288 -3.712 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.992 0.771 -5.027 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.499 1.638 -5.404 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.257 3.674 -3.113 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.680 4.115 -4.785 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.297 4.896 -3.981 1.00 0.00 H new ATOM 474 N LEU A 30 -1.783 3.049 -5.617 1.00 0.00 N ATOM 475 CA LEU A 30 -2.988 2.936 -4.809 1.00 0.00 C ATOM 476 C LEU A 30 -3.681 1.611 -5.066 1.00 0.00 C ATOM 477 O LEU A 30 -3.921 0.841 -4.141 1.00 0.00 O ATOM 478 CB LEU A 30 -3.957 4.083 -5.109 1.00 0.00 C ATOM 479 CG LEU A 30 -3.983 5.209 -4.077 1.00 0.00 C ATOM 480 CD1 LEU A 30 -4.962 6.286 -4.503 1.00 0.00 C ATOM 481 CD2 LEU A 30 -4.355 4.670 -2.703 1.00 0.00 C ATOM 0 H LEU A 30 -1.745 3.884 -6.201 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.690 2.989 -3.762 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.700 4.509 -6.079 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.963 3.672 -5.198 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.986 5.644 -4.016 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.972 7.083 -3.760 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.658 6.693 -5.468 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.960 5.857 -4.588 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.368 5.488 -1.983 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.342 4.210 -2.748 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.622 3.925 -2.393 1.00 0.00 H new ATOM 493 N GLU A 31 -3.970 1.338 -6.331 1.00 0.00 N ATOM 494 CA GLU A 31 -4.678 0.124 -6.715 1.00 0.00 C ATOM 495 C GLU A 31 -3.880 -1.120 -6.326 1.00 0.00 C ATOM 496 O GLU A 31 -4.452 -2.143 -5.940 1.00 0.00 O ATOM 497 CB GLU A 31 -4.949 0.129 -8.220 1.00 0.00 C ATOM 498 CG GLU A 31 -5.640 1.393 -8.713 1.00 0.00 C ATOM 499 CD GLU A 31 -6.996 1.620 -8.073 1.00 0.00 C ATOM 500 OE1 GLU A 31 -7.052 2.146 -6.942 1.00 0.00 O ATOM 501 OE2 GLU A 31 -8.019 1.294 -8.707 1.00 0.00 O ATOM 0 H GLU A 31 -3.723 1.945 -7.113 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.628 0.098 -6.182 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.004 0.011 -8.751 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.566 -0.734 -8.472 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.001 2.252 -8.509 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.761 1.335 -9.795 1.00 0.00 H new ATOM 508 N LYS A 32 -2.555 -1.022 -6.419 1.00 0.00 N ATOM 509 CA LYS A 32 -1.680 -2.120 -6.028 1.00 0.00 C ATOM 510 C LYS A 32 -1.794 -2.371 -4.527 1.00 0.00 C ATOM 511 O LYS A 32 -2.038 -3.498 -4.092 1.00 0.00 O ATOM 512 CB LYS A 32 -0.223 -1.816 -6.398 1.00 0.00 C ATOM 513 CG LYS A 32 0.701 -3.005 -6.195 1.00 0.00 C ATOM 514 CD LYS A 32 2.149 -2.669 -6.498 1.00 0.00 C ATOM 515 CE LYS A 32 3.011 -3.925 -6.559 1.00 0.00 C ATOM 516 NZ LYS A 32 2.907 -4.751 -5.320 1.00 0.00 N ATOM 0 H LYS A 32 -2.067 -0.194 -6.761 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.992 -3.015 -6.567 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.177 -1.501 -7.440 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.132 -0.980 -5.796 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.619 -3.354 -5.166 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.379 -3.826 -6.836 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.210 -2.138 -7.448 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.536 -1.997 -5.732 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.712 -4.525 -7.418 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.051 -3.640 -6.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.754 -5.347 -5.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.832 -4.127 -4.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.063 -5.356 -5.376 1.00 0.00 H new ATOM 530 N LEU A 33 -1.630 -1.309 -3.744 1.00 0.00 N ATOM 531 CA LEU A 33 -1.742 -1.392 -2.293 1.00 0.00 C ATOM 532 C LEU A 33 -3.122 -1.882 -1.887 1.00 0.00 C ATOM 533 O LEU A 33 -3.248 -2.821 -1.112 1.00 0.00 O ATOM 534 CB LEU A 33 -1.477 -0.026 -1.657 1.00 0.00 C ATOM 535 CG LEU A 33 -0.031 0.464 -1.732 1.00 0.00 C ATOM 536 CD1 LEU A 33 0.076 1.886 -1.206 1.00 0.00 C ATOM 537 CD2 LEU A 33 0.876 -0.463 -0.941 1.00 0.00 C ATOM 0 H LEU A 33 -1.418 -0.375 -4.094 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.996 -2.103 -1.939 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.118 0.711 -2.141 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.774 -0.068 -0.609 1.00 0.00 H new ATOM 0 HG LEU A 33 0.286 0.459 -2.775 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.112 2.219 -1.267 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.553 2.544 -1.806 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.255 1.916 -0.168 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.904 -0.105 -1.001 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.558 -0.481 0.101 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.818 -1.470 -1.355 1.00 0.00 H new ATOM 549 N LYS A 34 -4.143 -1.245 -2.440 1.00 0.00 N ATOM 550 CA LYS A 34 -5.530 -1.550 -2.112 1.00 0.00 C ATOM 551 C LYS A 34 -5.842 -3.038 -2.246 1.00 0.00 C ATOM 552 O LYS A 34 -6.340 -3.654 -1.311 1.00 0.00 O ATOM 553 CB LYS A 34 -6.454 -0.737 -3.016 1.00 0.00 C ATOM 554 CG LYS A 34 -6.555 0.733 -2.631 1.00 0.00 C ATOM 555 CD LYS A 34 -7.200 1.558 -3.735 1.00 0.00 C ATOM 556 CE LYS A 34 -8.515 0.953 -4.192 1.00 0.00 C ATOM 557 NZ LYS A 34 -9.141 1.746 -5.278 1.00 0.00 N ATOM 0 H LYS A 34 -4.035 -0.501 -3.130 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.694 -1.281 -1.069 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.098 -0.810 -4.044 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.450 -1.178 -2.992 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.138 0.831 -1.715 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.560 1.123 -2.418 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.371 2.573 -3.378 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.518 1.629 -4.582 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.345 -0.066 -4.539 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.200 0.892 -3.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -10.075 1.349 -5.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.250 2.733 -4.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.537 1.713 -6.124 1.00 0.00 H new ATOM 571 N GLY A 35 -5.534 -3.614 -3.401 1.00 0.00 N ATOM 572 CA GLY A 35 -5.852 -5.013 -3.640 1.00 0.00 C ATOM 573 C GLY A 35 -5.131 -5.949 -2.689 1.00 0.00 C ATOM 574 O GLY A 35 -5.741 -6.848 -2.090 1.00 0.00 O ATOM 0 H GLY A 35 -5.071 -3.141 -4.177 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.928 -5.159 -3.541 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.589 -5.271 -4.666 1.00 0.00 H new ATOM 578 N GLU A 36 -3.836 -5.723 -2.521 1.00 0.00 N ATOM 579 CA GLU A 36 -3.026 -6.599 -1.695 1.00 0.00 C ATOM 580 C GLU A 36 -3.297 -6.348 -0.215 1.00 0.00 C ATOM 581 O GLU A 36 -3.015 -7.194 0.626 1.00 0.00 O ATOM 582 CB GLU A 36 -1.543 -6.437 -2.037 1.00 0.00 C ATOM 583 CG GLU A 36 -1.227 -6.859 -3.466 1.00 0.00 C ATOM 584 CD GLU A 36 0.245 -6.785 -3.816 1.00 0.00 C ATOM 585 OE1 GLU A 36 0.965 -7.782 -3.586 1.00 0.00 O ATOM 586 OE2 GLU A 36 0.681 -5.745 -4.360 1.00 0.00 O ATOM 0 H GLU A 36 -3.329 -4.945 -2.943 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.302 -7.632 -1.905 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.252 -5.396 -1.896 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.946 -7.032 -1.345 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.576 -7.880 -3.618 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.786 -6.225 -4.154 1.00 0.00 H new ATOM 593 N LEU A 37 -3.864 -5.185 0.089 1.00 0.00 N ATOM 594 CA LEU A 37 -4.286 -4.859 1.446 1.00 0.00 C ATOM 595 C LEU A 37 -5.679 -5.431 1.719 1.00 0.00 C ATOM 596 O LEU A 37 -5.993 -5.811 2.845 1.00 0.00 O ATOM 597 CB LEU A 37 -4.280 -3.339 1.648 1.00 0.00 C ATOM 598 CG LEU A 37 -4.605 -2.852 3.062 1.00 0.00 C ATOM 599 CD1 LEU A 37 -3.586 -3.380 4.060 1.00 0.00 C ATOM 600 CD2 LEU A 37 -4.644 -1.332 3.102 1.00 0.00 C ATOM 0 H LEU A 37 -4.043 -4.447 -0.593 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.585 -5.306 2.151 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.297 -2.959 1.371 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.999 -2.897 0.958 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.587 -3.235 3.339 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.836 -3.022 5.059 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.599 -4.470 4.051 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.592 -3.027 3.786 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.876 -1.001 4.114 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.674 -0.935 2.804 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.410 -0.970 2.417 1.00 0.00 H new ATOM 612 N GLU A 38 -6.506 -5.499 0.677 1.00 0.00 N ATOM 613 CA GLU A 38 -7.838 -6.096 0.779 1.00 0.00 C ATOM 614 C GLU A 38 -7.756 -7.554 1.208 1.00 0.00 C ATOM 615 O GLU A 38 -8.584 -8.030 1.985 1.00 0.00 O ATOM 616 CB GLU A 38 -8.576 -5.998 -0.559 1.00 0.00 C ATOM 617 CG GLU A 38 -9.367 -4.720 -0.746 1.00 0.00 C ATOM 618 CD GLU A 38 -10.622 -4.679 0.106 1.00 0.00 C ATOM 619 OE1 GLU A 38 -11.655 -5.233 -0.324 1.00 0.00 O ATOM 620 OE2 GLU A 38 -10.589 -4.086 1.200 1.00 0.00 O ATOM 0 H GLU A 38 -6.276 -5.146 -0.252 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.390 -5.540 1.537 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.850 -6.083 -1.367 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -9.254 -6.847 -0.649 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.736 -3.867 -0.497 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -9.642 -4.618 -1.796 1.00 0.00 H new ATOM 627 N LYS A 39 -6.758 -8.265 0.698 1.00 0.00 N ATOM 628 CA LYS A 39 -6.575 -9.671 1.055 1.00 0.00 C ATOM 629 C LYS A 39 -5.907 -9.819 2.428 1.00 0.00 C ATOM 630 O LYS A 39 -5.678 -10.936 2.898 1.00 0.00 O ATOM 631 CB LYS A 39 -5.756 -10.399 -0.017 1.00 0.00 C ATOM 632 CG LYS A 39 -4.298 -9.978 -0.082 1.00 0.00 C ATOM 633 CD LYS A 39 -3.612 -10.559 -1.308 1.00 0.00 C ATOM 634 CE LYS A 39 -2.123 -10.259 -1.315 1.00 0.00 C ATOM 635 NZ LYS A 39 -1.380 -11.076 -0.320 1.00 0.00 N ATOM 0 H LYS A 39 -6.068 -7.898 0.042 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.563 -10.128 1.112 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.804 -11.472 0.171 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.216 -10.225 -0.990 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.232 -8.890 -0.106 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.781 -10.309 0.819 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.766 -11.638 -1.334 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.070 -10.150 -2.209 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -1.721 -10.448 -2.310 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.966 -9.201 -1.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.385 -11.158 -0.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.431 -10.618 0.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.804 -12.024 -0.264 1.00 0.00 H new ATOM 649 N ILE A 40 -5.598 -8.698 3.069 1.00 0.00 N ATOM 650 CA ILE A 40 -5.008 -8.717 4.401 1.00 0.00 C ATOM 651 C ILE A 40 -6.092 -8.593 5.470 1.00 0.00 C ATOM 652 O ILE A 40 -7.059 -7.847 5.309 1.00 0.00 O ATOM 653 CB ILE A 40 -3.966 -7.585 4.579 1.00 0.00 C ATOM 654 CG1 ILE A 40 -2.792 -7.798 3.624 1.00 0.00 C ATOM 655 CG2 ILE A 40 -3.468 -7.513 6.017 1.00 0.00 C ATOM 656 CD1 ILE A 40 -1.722 -6.735 3.723 1.00 0.00 C ATOM 0 H ILE A 40 -5.747 -7.764 2.687 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.496 -9.673 4.516 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.452 -6.638 4.344 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.344 -8.771 3.826 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.169 -7.827 2.602 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.738 -6.709 6.109 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.308 -7.319 6.684 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -3.001 -8.460 6.288 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.923 -6.956 3.015 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.154 -5.761 3.491 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.316 -6.720 4.735 1.00 0.00 H new ATOM 668 N SER A 41 -5.935 -9.349 6.546 1.00 0.00 N ATOM 669 CA SER A 41 -6.864 -9.304 7.663 1.00 0.00 C ATOM 670 C SER A 41 -6.676 -8.018 8.462 1.00 0.00 C ATOM 671 O SER A 41 -5.563 -7.501 8.558 1.00 0.00 O ATOM 672 CB SER A 41 -6.642 -10.522 8.566 1.00 0.00 C ATOM 673 OG SER A 41 -7.513 -10.510 9.684 1.00 0.00 O ATOM 0 H SER A 41 -5.165 -10.007 6.669 1.00 0.00 H new ATOM 0 HA SER A 41 -7.883 -9.323 7.276 1.00 0.00 H new ATOM 0 HB2 SER A 41 -6.800 -11.435 7.991 1.00 0.00 H new ATOM 0 HB3 SER A 41 -5.608 -10.536 8.910 1.00 0.00 H new ATOM 0 HG SER A 41 -7.346 -11.301 10.237 1.00 0.00 H new ATOM 679 N PHE A 42 -7.756 -7.510 9.042 1.00 0.00 N ATOM 680 CA PHE A 42 -7.670 -6.330 9.895 1.00 0.00 C ATOM 681 C PHE A 42 -6.878 -6.643 11.157 1.00 0.00 C ATOM 682 O PHE A 42 -6.328 -5.752 11.790 1.00 0.00 O ATOM 683 CB PHE A 42 -9.060 -5.805 10.256 1.00 0.00 C ATOM 684 CG PHE A 42 -9.719 -5.035 9.149 1.00 0.00 C ATOM 685 CD1 PHE A 42 -9.486 -3.677 9.004 1.00 0.00 C ATOM 686 CD2 PHE A 42 -10.575 -5.663 8.260 1.00 0.00 C ATOM 687 CE1 PHE A 42 -10.091 -2.960 7.989 1.00 0.00 C ATOM 688 CE2 PHE A 42 -11.182 -4.951 7.243 1.00 0.00 C ATOM 689 CZ PHE A 42 -10.942 -3.598 7.108 1.00 0.00 C ATOM 0 H PHE A 42 -8.696 -7.893 8.939 1.00 0.00 H new ATOM 0 HA PHE A 42 -7.150 -5.551 9.338 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -9.697 -6.646 10.531 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -8.980 -5.165 11.135 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.824 -3.173 9.692 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -10.770 -6.720 8.363 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -9.899 -1.902 7.885 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -11.844 -5.453 6.553 1.00 0.00 H new ATOM 0 HZ PHE A 42 -11.419 -3.040 6.316 1.00 0.00 H new ATOM 699 N SER A 43 -6.812 -7.920 11.505 1.00 0.00 N ATOM 700 CA SER A 43 -6.021 -8.359 12.643 1.00 0.00 C ATOM 701 C SER A 43 -4.584 -8.648 12.208 1.00 0.00 C ATOM 702 O SER A 43 -3.756 -9.097 13.003 1.00 0.00 O ATOM 703 CB SER A 43 -6.650 -9.608 13.268 1.00 0.00 C ATOM 704 OG SER A 43 -5.944 -10.021 14.428 1.00 0.00 O ATOM 0 H SER A 43 -7.298 -8.671 11.014 1.00 0.00 H new ATOM 0 HA SER A 43 -6.004 -7.564 13.389 1.00 0.00 H new ATOM 0 HB2 SER A 43 -7.689 -9.403 13.527 1.00 0.00 H new ATOM 0 HB3 SER A 43 -6.657 -10.417 12.538 1.00 0.00 H new ATOM 0 HG SER A 43 -4.986 -9.855 14.304 1.00 0.00 H new ATOM 710 N ASP A 44 -4.294 -8.389 10.942 1.00 0.00 N ATOM 711 CA ASP A 44 -2.970 -8.646 10.392 1.00 0.00 C ATOM 712 C ASP A 44 -2.302 -7.335 9.975 1.00 0.00 C ATOM 713 O ASP A 44 -1.079 -7.207 10.021 1.00 0.00 O ATOM 714 CB ASP A 44 -3.074 -9.608 9.202 1.00 0.00 C ATOM 715 CG ASP A 44 -1.728 -10.132 8.736 1.00 0.00 C ATOM 716 OD1 ASP A 44 -1.002 -10.735 9.556 1.00 0.00 O ATOM 717 OD2 ASP A 44 -1.404 -9.971 7.540 1.00 0.00 O ATOM 0 H ASP A 44 -4.959 -8.000 10.274 1.00 0.00 H new ATOM 0 HA ASP A 44 -2.352 -9.111 11.160 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -3.708 -10.450 9.479 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -3.565 -9.098 8.373 1.00 0.00 H new ATOM 722 N LEU A 45 -3.115 -6.366 9.569 1.00 0.00 N ATOM 723 CA LEU A 45 -2.615 -5.041 9.213 1.00 0.00 C ATOM 724 C LEU A 45 -2.498 -4.147 10.456 1.00 0.00 C ATOM 725 O LEU A 45 -3.191 -4.366 11.452 1.00 0.00 O ATOM 726 CB LEU A 45 -3.509 -4.402 8.130 1.00 0.00 C ATOM 727 CG LEU A 45 -5.020 -4.419 8.390 1.00 0.00 C ATOM 728 CD1 LEU A 45 -5.425 -3.330 9.368 1.00 0.00 C ATOM 729 CD2 LEU A 45 -5.780 -4.263 7.083 1.00 0.00 C ATOM 0 H LEU A 45 -4.125 -6.473 9.478 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.613 -5.146 8.797 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.197 -3.366 7.999 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.320 -4.914 7.186 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.273 -5.381 8.836 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.502 -3.369 9.531 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.909 -3.482 10.316 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.155 -2.356 8.960 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.852 -4.277 7.281 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.510 -3.316 6.616 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.525 -5.084 6.413 1.00 0.00 H new ATOM 741 N PRO A 46 -1.597 -3.145 10.411 1.00 0.00 N ATOM 742 CA PRO A 46 -1.334 -2.238 11.541 1.00 0.00 C ATOM 743 C PRO A 46 -2.590 -1.561 12.093 1.00 0.00 C ATOM 744 O PRO A 46 -3.560 -1.329 11.372 1.00 0.00 O ATOM 745 CB PRO A 46 -0.396 -1.189 10.943 1.00 0.00 C ATOM 746 CG PRO A 46 0.281 -1.887 9.817 1.00 0.00 C ATOM 747 CD PRO A 46 -0.736 -2.839 9.255 1.00 0.00 C ATOM 0 HA PRO A 46 -0.923 -2.784 12.390 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -0.948 -0.317 10.594 1.00 0.00 H new ATOM 0 HB3 PRO A 46 0.325 -0.835 11.680 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.612 -1.177 9.059 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.166 -2.420 10.163 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.303 -2.386 8.441 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -0.266 -3.738 8.855 1.00 0.00 H new ATOM 755 N LEU A 47 -2.533 -1.207 13.374 1.00 0.00 N ATOM 756 CA LEU A 47 -3.669 -0.619 14.081 1.00 0.00 C ATOM 757 C LEU A 47 -4.080 0.721 13.468 1.00 0.00 C ATOM 758 O LEU A 47 -5.245 1.111 13.530 1.00 0.00 O ATOM 759 CB LEU A 47 -3.325 -0.438 15.562 1.00 0.00 C ATOM 760 CG LEU A 47 -4.443 0.138 16.437 1.00 0.00 C ATOM 761 CD1 LEU A 47 -5.648 -0.789 16.458 1.00 0.00 C ATOM 762 CD2 LEU A 47 -3.939 0.378 17.850 1.00 0.00 C ATOM 0 H LEU A 47 -1.700 -1.319 13.951 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.514 -1.301 13.986 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.032 -1.406 15.969 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.456 0.216 15.637 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.753 1.091 16.008 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.428 -0.358 17.086 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.027 -0.916 15.444 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.354 -1.759 16.859 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.745 0.787 18.459 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.601 -0.565 18.281 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.109 1.084 17.825 1.00 0.00 H new ATOM 774 N GLU A 48 -3.119 1.422 12.874 1.00 0.00 N ATOM 775 CA GLU A 48 -3.401 2.692 12.210 1.00 0.00 C ATOM 776 C GLU A 48 -4.430 2.495 11.102 1.00 0.00 C ATOM 777 O GLU A 48 -5.373 3.276 10.958 1.00 0.00 O ATOM 778 CB GLU A 48 -2.120 3.296 11.627 1.00 0.00 C ATOM 779 CG GLU A 48 -1.051 3.595 12.667 1.00 0.00 C ATOM 780 CD GLU A 48 -1.550 4.504 13.771 1.00 0.00 C ATOM 781 OE1 GLU A 48 -1.961 5.645 13.472 1.00 0.00 O ATOM 782 OE2 GLU A 48 -1.555 4.074 14.941 1.00 0.00 O ATOM 0 H GLU A 48 -2.141 1.134 12.838 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.805 3.380 12.953 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.710 2.609 10.886 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.371 4.218 11.102 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.701 2.659 13.102 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.194 4.059 12.179 1.00 0.00 H new ATOM 789 N LEU A 49 -4.263 1.416 10.350 1.00 0.00 N ATOM 790 CA LEU A 49 -5.145 1.121 9.234 1.00 0.00 C ATOM 791 C LEU A 49 -6.505 0.653 9.739 1.00 0.00 C ATOM 792 O LEU A 49 -7.502 0.744 9.037 1.00 0.00 O ATOM 793 CB LEU A 49 -4.520 0.059 8.326 1.00 0.00 C ATOM 794 CG LEU A 49 -3.121 0.390 7.797 1.00 0.00 C ATOM 795 CD1 LEU A 49 -2.637 -0.704 6.861 1.00 0.00 C ATOM 796 CD2 LEU A 49 -3.113 1.739 7.094 1.00 0.00 C ATOM 0 H LEU A 49 -3.522 0.730 10.495 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.286 2.034 8.655 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.469 -0.881 8.876 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.183 -0.104 7.476 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.439 0.447 8.645 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.642 -0.454 6.493 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.598 -1.652 7.398 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.323 -0.792 6.019 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.109 1.952 6.727 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.809 1.716 6.255 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.416 2.517 7.795 1.00 0.00 H new ATOM 808 N GLN A 50 -6.535 0.168 10.973 1.00 0.00 N ATOM 809 CA GLN A 50 -7.776 -0.279 11.588 1.00 0.00 C ATOM 810 C GLN A 50 -8.640 0.917 11.973 1.00 0.00 C ATOM 811 O GLN A 50 -9.870 0.841 11.956 1.00 0.00 O ATOM 812 CB GLN A 50 -7.485 -1.138 12.817 1.00 0.00 C ATOM 813 CG GLN A 50 -6.657 -2.374 12.506 1.00 0.00 C ATOM 814 CD GLN A 50 -6.327 -3.194 13.734 1.00 0.00 C ATOM 815 OE1 GLN A 50 -7.093 -3.237 14.698 1.00 0.00 O ATOM 816 NE2 GLN A 50 -5.183 -3.855 13.705 1.00 0.00 N ATOM 0 H GLN A 50 -5.712 0.074 11.568 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.321 -0.884 10.863 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.960 -0.534 13.557 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.428 -1.446 13.268 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.199 -2.998 11.795 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.730 -2.070 12.020 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.578 -3.792 12.886 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -4.905 -4.429 14.501 1.00 0.00 H new ATOM 825 N LYS A 51 -7.992 2.021 12.334 1.00 0.00 N ATOM 826 CA LYS A 51 -8.701 3.252 12.635 1.00 0.00 C ATOM 827 C LYS A 51 -9.161 3.935 11.352 1.00 0.00 C ATOM 828 O LYS A 51 -10.108 4.721 11.358 1.00 0.00 O ATOM 829 CB LYS A 51 -7.795 4.180 13.430 1.00 0.00 C ATOM 830 CG LYS A 51 -7.206 3.514 14.656 1.00 0.00 C ATOM 831 CD LYS A 51 -6.226 4.418 15.369 1.00 0.00 C ATOM 832 CE LYS A 51 -5.031 4.762 14.494 1.00 0.00 C ATOM 833 NZ LYS A 51 -4.109 5.721 15.157 1.00 0.00 N ATOM 0 H LYS A 51 -6.978 2.084 12.424 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.584 3.015 13.229 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.987 4.529 12.788 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.362 5.059 13.736 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -8.008 3.236 15.340 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -6.703 2.592 14.363 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -6.732 5.336 15.670 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.880 3.931 16.281 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -4.488 3.849 14.248 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -5.381 5.188 13.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.385 6.032 14.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.647 6.546 15.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.649 5.257 15.966 1.00 0.00 H new ATOM 847 N LEU A 52 -8.461 3.656 10.260 1.00 0.00 N ATOM 848 CA LEU A 52 -8.876 4.128 8.944 1.00 0.00 C ATOM 849 C LEU A 52 -9.991 3.243 8.402 1.00 0.00 C ATOM 850 O LEU A 52 -9.760 2.111 7.982 1.00 0.00 O ATOM 851 CB LEU A 52 -7.685 4.154 7.989 1.00 0.00 C ATOM 852 CG LEU A 52 -6.548 5.079 8.421 1.00 0.00 C ATOM 853 CD1 LEU A 52 -5.322 4.869 7.550 1.00 0.00 C ATOM 854 CD2 LEU A 52 -7.002 6.531 8.364 1.00 0.00 C ATOM 0 H LEU A 52 -7.603 3.105 10.259 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.257 5.145 9.034 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.294 3.141 7.888 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.033 4.462 7.003 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.278 4.837 9.449 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.525 5.538 7.876 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -4.986 3.836 7.637 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -5.573 5.083 6.511 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.183 7.181 8.674 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.297 6.780 7.345 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.851 6.673 9.032 1.00 0.00 H new ATOM 866 N ASP A 53 -11.198 3.784 8.400 1.00 0.00 N ATOM 867 CA ASP A 53 -12.405 3.002 8.135 1.00 0.00 C ATOM 868 C ASP A 53 -12.440 2.426 6.719 1.00 0.00 C ATOM 869 O ASP A 53 -13.027 1.368 6.491 1.00 0.00 O ATOM 870 CB ASP A 53 -13.649 3.866 8.368 1.00 0.00 C ATOM 871 CG ASP A 53 -14.941 3.096 8.166 1.00 0.00 C ATOM 872 OD1 ASP A 53 -15.341 2.345 9.081 1.00 0.00 O ATOM 873 OD2 ASP A 53 -15.568 3.238 7.091 1.00 0.00 O ATOM 0 H ASP A 53 -11.374 4.772 8.581 1.00 0.00 H new ATOM 0 HA ASP A 53 -12.394 2.160 8.827 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -13.624 4.267 9.381 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -13.628 4.718 7.688 1.00 0.00 H new ATOM 878 N SER A 54 -11.809 3.101 5.770 1.00 0.00 N ATOM 879 CA SER A 54 -11.920 2.702 4.375 1.00 0.00 C ATOM 880 C SER A 54 -10.561 2.302 3.804 1.00 0.00 C ATOM 881 O SER A 54 -9.533 2.897 4.142 1.00 0.00 O ATOM 882 CB SER A 54 -12.537 3.836 3.551 1.00 0.00 C ATOM 883 OG SER A 54 -13.031 3.365 2.308 1.00 0.00 O ATOM 0 H SER A 54 -11.221 3.918 5.937 1.00 0.00 H new ATOM 0 HA SER A 54 -12.572 1.830 4.321 1.00 0.00 H new ATOM 0 HB2 SER A 54 -13.348 4.297 4.115 1.00 0.00 H new ATOM 0 HB3 SER A 54 -11.789 4.610 3.377 1.00 0.00 H new ATOM 0 HG SER A 54 -13.420 4.112 1.806 1.00 0.00 H new ATOM 889 N LEU A 55 -10.575 1.292 2.937 1.00 0.00 N ATOM 890 CA LEU A 55 -9.368 0.782 2.287 1.00 0.00 C ATOM 891 C LEU A 55 -8.582 1.883 1.552 1.00 0.00 C ATOM 892 O LEU A 55 -7.375 2.008 1.761 1.00 0.00 O ATOM 893 CB LEU A 55 -9.727 -0.348 1.316 1.00 0.00 C ATOM 894 CG LEU A 55 -8.588 -0.815 0.419 1.00 0.00 C ATOM 895 CD1 LEU A 55 -7.699 -1.806 1.150 1.00 0.00 C ATOM 896 CD2 LEU A 55 -9.146 -1.403 -0.862 1.00 0.00 C ATOM 0 H LEU A 55 -11.427 0.802 2.664 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.720 0.397 3.074 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -10.088 -1.200 1.892 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.552 -0.016 0.686 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.968 0.042 0.156 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.892 -2.126 0.491 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.277 -1.332 2.036 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.289 -2.672 1.449 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.325 -1.735 -1.498 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.786 -2.252 -0.624 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.728 -0.645 -1.387 1.00 0.00 H new ATOM 908 N PRO A 56 -9.229 2.689 0.672 1.00 0.00 N ATOM 909 CA PRO A 56 -8.547 3.777 -0.041 1.00 0.00 C ATOM 910 C PRO A 56 -7.796 4.711 0.906 1.00 0.00 C ATOM 911 O PRO A 56 -6.679 5.129 0.614 1.00 0.00 O ATOM 912 CB PRO A 56 -9.678 4.534 -0.753 1.00 0.00 C ATOM 913 CG PRO A 56 -10.947 4.002 -0.178 1.00 0.00 C ATOM 914 CD PRO A 56 -10.644 2.604 0.275 1.00 0.00 C ATOM 0 HA PRO A 56 -7.792 3.390 -0.725 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -9.594 5.608 -0.588 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -9.639 4.373 -1.830 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -11.285 4.617 0.656 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -11.744 4.007 -0.922 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.280 2.302 1.107 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -10.797 1.878 -0.523 1.00 0.00 H new ATOM 922 N ALA A 57 -8.402 5.009 2.052 1.00 0.00 N ATOM 923 CA ALA A 57 -7.791 5.895 3.037 1.00 0.00 C ATOM 924 C ALA A 57 -6.540 5.259 3.632 1.00 0.00 C ATOM 925 O ALA A 57 -5.536 5.934 3.860 1.00 0.00 O ATOM 926 CB ALA A 57 -8.790 6.232 4.134 1.00 0.00 C ATOM 0 H ALA A 57 -9.317 4.649 2.321 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.498 6.818 2.536 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.321 6.894 4.862 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -9.656 6.729 3.697 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -9.109 5.315 4.630 1.00 0.00 H new ATOM 932 N GLN A 58 -6.610 3.953 3.867 1.00 0.00 N ATOM 933 CA GLN A 58 -5.482 3.201 4.407 1.00 0.00 C ATOM 934 C GLN A 58 -4.297 3.250 3.450 1.00 0.00 C ATOM 935 O GLN A 58 -3.209 3.697 3.818 1.00 0.00 O ATOM 936 CB GLN A 58 -5.885 1.747 4.668 1.00 0.00 C ATOM 937 CG GLN A 58 -6.969 1.594 5.719 1.00 0.00 C ATOM 938 CD GLN A 58 -7.471 0.170 5.839 1.00 0.00 C ATOM 939 OE1 GLN A 58 -6.745 -0.784 5.567 1.00 0.00 O ATOM 940 NE2 GLN A 58 -8.713 0.014 6.267 1.00 0.00 N ATOM 0 H GLN A 58 -7.442 3.390 3.691 1.00 0.00 H new ATOM 0 HA GLN A 58 -5.187 3.660 5.351 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -6.230 1.302 3.735 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -5.005 1.186 4.982 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -6.582 1.921 6.684 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -7.804 2.250 5.472 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -9.285 0.831 6.483 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -9.099 -0.923 6.382 1.00 0.00 H new ATOM 949 N ALA A 59 -4.529 2.822 2.216 1.00 0.00 N ATOM 950 CA ALA A 59 -3.476 2.766 1.207 1.00 0.00 C ATOM 951 C ALA A 59 -2.930 4.157 0.887 1.00 0.00 C ATOM 952 O ALA A 59 -1.725 4.333 0.701 1.00 0.00 O ATOM 953 CB ALA A 59 -3.993 2.090 -0.056 1.00 0.00 C ATOM 0 H ALA A 59 -5.442 2.507 1.887 1.00 0.00 H new ATOM 0 HA ALA A 59 -2.654 2.176 1.613 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.198 2.054 -0.801 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.315 1.076 0.180 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.836 2.655 -0.452 1.00 0.00 H new ATOM 959 N GLN A 60 -3.814 5.145 0.843 1.00 0.00 N ATOM 960 CA GLN A 60 -3.413 6.515 0.545 1.00 0.00 C ATOM 961 C GLN A 60 -2.520 7.074 1.650 1.00 0.00 C ATOM 962 O GLN A 60 -1.559 7.795 1.375 1.00 0.00 O ATOM 963 CB GLN A 60 -4.646 7.404 0.366 1.00 0.00 C ATOM 964 CG GLN A 60 -4.323 8.847 0.008 1.00 0.00 C ATOM 965 CD GLN A 60 -3.526 8.975 -1.278 1.00 0.00 C ATOM 966 OE1 GLN A 60 -4.090 9.062 -2.366 1.00 0.00 O ATOM 967 NE2 GLN A 60 -2.207 8.994 -1.160 1.00 0.00 N ATOM 0 H GLN A 60 -4.813 5.024 1.010 1.00 0.00 H new ATOM 0 HA GLN A 60 -2.845 6.506 -0.385 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.277 6.979 -0.415 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.227 7.391 1.288 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -5.252 9.408 -0.090 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.761 9.301 0.824 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.776 8.919 -0.238 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -1.622 9.083 -1.991 1.00 0.00 H new ATOM 976 N HIS A 61 -2.824 6.729 2.897 1.00 0.00 N ATOM 977 CA HIS A 61 -2.048 7.233 4.021 1.00 0.00 C ATOM 978 C HIS A 61 -0.693 6.538 4.090 1.00 0.00 C ATOM 979 O HIS A 61 0.279 7.093 4.613 1.00 0.00 O ATOM 980 CB HIS A 61 -2.806 7.067 5.338 1.00 0.00 C ATOM 981 CG HIS A 61 -2.174 7.815 6.469 1.00 0.00 C ATOM 982 ND1 HIS A 61 -2.026 9.182 6.466 1.00 0.00 N ATOM 983 CD2 HIS A 61 -1.632 7.383 7.633 1.00 0.00 C ATOM 984 CE1 HIS A 61 -1.421 9.560 7.574 1.00 0.00 C ATOM 985 NE2 HIS A 61 -1.168 8.490 8.302 1.00 0.00 N ATOM 0 H HIS A 61 -3.593 6.110 3.152 1.00 0.00 H new ATOM 0 HA HIS A 61 -1.884 8.299 3.863 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -3.831 7.413 5.208 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.856 6.008 5.592 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -2.336 9.807 5.722 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -1.575 6.359 7.972 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -1.174 10.577 7.841 1.00 0.00 H new ATOM 994 N LEU A 62 -0.631 5.323 3.559 1.00 0.00 N ATOM 995 CA LEU A 62 0.639 4.626 3.415 1.00 0.00 C ATOM 996 C LEU A 62 1.564 5.450 2.532 1.00 0.00 C ATOM 997 O LEU A 62 2.726 5.669 2.864 1.00 0.00 O ATOM 998 CB LEU A 62 0.434 3.234 2.807 1.00 0.00 C ATOM 999 CG LEU A 62 -0.413 2.272 3.640 1.00 0.00 C ATOM 1000 CD1 LEU A 62 -0.617 0.961 2.896 1.00 0.00 C ATOM 1001 CD2 LEU A 62 0.242 2.020 4.989 1.00 0.00 C ATOM 0 H LEU A 62 -1.441 4.803 3.223 1.00 0.00 H new ATOM 0 HA LEU A 62 1.086 4.500 4.401 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.033 3.349 1.829 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.411 2.781 2.642 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.388 2.729 3.808 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.222 0.288 3.504 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.126 1.154 1.952 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.351 0.500 2.699 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.374 1.333 5.570 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.229 1.583 4.838 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.341 2.963 5.527 1.00 0.00 H new ATOM 1013 N ILE A 63 1.006 5.931 1.420 1.00 0.00 N ATOM 1014 CA ILE A 63 1.736 6.763 0.472 1.00 0.00 C ATOM 1015 C ILE A 63 2.098 8.116 1.095 1.00 0.00 C ATOM 1016 O ILE A 63 3.061 8.764 0.681 1.00 0.00 O ATOM 1017 CB ILE A 63 0.910 6.985 -0.816 1.00 0.00 C ATOM 1018 CG1 ILE A 63 0.534 5.637 -1.438 1.00 0.00 C ATOM 1019 CG2 ILE A 63 1.678 7.836 -1.822 1.00 0.00 C ATOM 1020 CD1 ILE A 63 -0.390 5.749 -2.636 1.00 0.00 C ATOM 0 H ILE A 63 0.037 5.753 1.155 1.00 0.00 H new ATOM 0 HA ILE A 63 2.656 6.239 0.214 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.001 7.521 -0.548 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.445 5.121 -1.741 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.055 5.019 -0.679 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.073 7.976 -2.718 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.902 8.807 -1.381 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.609 7.334 -2.088 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.610 4.753 -3.020 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.318 6.235 -2.335 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.093 6.339 -3.414 1.00 0.00 H new ATOM 1032 N ASP A 64 1.316 8.542 2.087 1.00 0.00 N ATOM 1033 CA ASP A 64 1.618 9.770 2.824 1.00 0.00 C ATOM 1034 C ASP A 64 2.965 9.645 3.511 1.00 0.00 C ATOM 1035 O ASP A 64 3.788 10.562 3.470 1.00 0.00 O ATOM 1036 CB ASP A 64 0.552 10.083 3.882 1.00 0.00 C ATOM 1037 CG ASP A 64 -0.724 10.664 3.310 1.00 0.00 C ATOM 1038 OD1 ASP A 64 -0.642 11.554 2.437 1.00 0.00 O ATOM 1039 OD2 ASP A 64 -1.819 10.252 3.755 1.00 0.00 O ATOM 0 H ASP A 64 0.473 8.059 2.398 1.00 0.00 H new ATOM 0 HA ASP A 64 1.633 10.584 2.099 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.313 9.169 4.425 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.967 10.784 4.606 1.00 0.00 H new ATOM 1044 N THR A 65 3.180 8.506 4.151 1.00 0.00 N ATOM 1045 CA THR A 65 4.425 8.262 4.856 1.00 0.00 C ATOM 1046 C THR A 65 5.327 7.288 4.096 1.00 0.00 C ATOM 1047 O THR A 65 6.203 7.722 3.350 1.00 0.00 O ATOM 1048 CB THR A 65 4.154 7.729 6.275 1.00 0.00 C ATOM 1049 OG1 THR A 65 3.151 6.702 6.226 1.00 0.00 O ATOM 1050 CG2 THR A 65 3.698 8.851 7.198 1.00 0.00 C ATOM 0 H THR A 65 2.509 7.739 4.196 1.00 0.00 H new ATOM 0 HA THR A 65 4.946 9.217 4.928 1.00 0.00 H new ATOM 0 HB THR A 65 5.081 7.314 6.669 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.983 6.365 7.131 1.00 0.00 H new ATOM 0 HG21 THR A 65 3.513 8.450 8.194 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.474 9.615 7.253 1.00 0.00 H new ATOM 0 HG23 THR A 65 2.781 9.293 6.808 1.00 0.00 H new ATOM 1058 N SER A 66 5.041 5.990 4.272 1.00 0.00 N ATOM 1059 CA SER A 66 5.843 4.848 3.786 1.00 0.00 C ATOM 1060 C SER A 66 5.760 3.723 4.811 1.00 0.00 C ATOM 1061 O SER A 66 5.821 3.973 6.017 1.00 0.00 O ATOM 1062 CB SER A 66 7.328 5.175 3.566 1.00 0.00 C ATOM 1063 OG SER A 66 7.542 5.869 2.347 1.00 0.00 O ATOM 0 H SER A 66 4.208 5.690 4.779 1.00 0.00 H new ATOM 0 HA SER A 66 5.426 4.569 2.818 1.00 0.00 H new ATOM 0 HB2 SER A 66 7.694 5.779 4.397 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.907 4.251 3.564 1.00 0.00 H new ATOM 0 HG SER A 66 7.024 6.701 2.349 1.00 0.00 H new ATOM 1069 N CYS A 67 5.624 2.495 4.344 1.00 0.00 N ATOM 1070 CA CYS A 67 5.562 1.343 5.233 1.00 0.00 C ATOM 1071 C CYS A 67 6.139 0.112 4.550 1.00 0.00 C ATOM 1072 O CYS A 67 6.132 0.012 3.325 1.00 0.00 O ATOM 1073 CB CYS A 67 4.114 1.071 5.658 1.00 0.00 C ATOM 1074 SG CYS A 67 3.358 2.398 6.627 1.00 0.00 S ATOM 0 H CYS A 67 5.554 2.267 3.352 1.00 0.00 H new ATOM 0 HA CYS A 67 6.155 1.565 6.120 1.00 0.00 H new ATOM 0 HB2 CYS A 67 3.512 0.901 4.765 1.00 0.00 H new ATOM 0 HB3 CYS A 67 4.086 0.151 6.241 1.00 0.00 H new ATOM 0 HG CYS A 67 4.213 3.365 6.780 1.00 0.00 H new ATOM 1080 N GLU A 68 6.653 -0.812 5.344 1.00 0.00 N ATOM 1081 CA GLU A 68 7.127 -2.084 4.824 1.00 0.00 C ATOM 1082 C GLU A 68 6.022 -3.116 4.984 1.00 0.00 C ATOM 1083 O GLU A 68 5.605 -3.428 6.102 1.00 0.00 O ATOM 1084 CB GLU A 68 8.392 -2.509 5.566 1.00 0.00 C ATOM 1085 CG GLU A 68 9.511 -1.488 5.443 1.00 0.00 C ATOM 1086 CD GLU A 68 10.550 -1.618 6.533 1.00 0.00 C ATOM 1087 OE1 GLU A 68 10.208 -1.382 7.713 1.00 0.00 O ATOM 1088 OE2 GLU A 68 11.716 -1.932 6.217 1.00 0.00 O ATOM 0 H GLU A 68 6.753 -0.705 6.353 1.00 0.00 H new ATOM 0 HA GLU A 68 7.377 -1.993 3.767 1.00 0.00 H new ATOM 0 HB2 GLU A 68 8.157 -2.661 6.620 1.00 0.00 H new ATOM 0 HB3 GLU A 68 8.734 -3.467 5.174 1.00 0.00 H new ATOM 0 HG2 GLU A 68 9.994 -1.601 4.473 1.00 0.00 H new ATOM 0 HG3 GLU A 68 9.085 -0.485 5.472 1.00 0.00 H new ATOM 1095 N LEU A 69 5.543 -3.634 3.866 1.00 0.00 N ATOM 1096 CA LEU A 69 4.349 -4.462 3.871 1.00 0.00 C ATOM 1097 C LEU A 69 4.636 -5.872 3.377 1.00 0.00 C ATOM 1098 O LEU A 69 5.154 -6.064 2.275 1.00 0.00 O ATOM 1099 CB LEU A 69 3.272 -3.806 2.997 1.00 0.00 C ATOM 1100 CG LEU A 69 1.904 -4.495 2.998 1.00 0.00 C ATOM 1101 CD1 LEU A 69 1.289 -4.466 4.386 1.00 0.00 C ATOM 1102 CD2 LEU A 69 0.972 -3.831 1.993 1.00 0.00 C ATOM 0 H LEU A 69 5.961 -3.497 2.946 1.00 0.00 H new ATOM 0 HA LEU A 69 3.996 -4.543 4.899 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.140 -2.776 3.328 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.637 -3.767 1.971 1.00 0.00 H new ATOM 0 HG LEU A 69 2.046 -5.536 2.706 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.318 -4.961 4.364 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.945 -4.985 5.085 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.162 -3.432 4.706 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.005 -4.333 2.007 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.840 -2.782 2.257 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.403 -3.902 0.995 1.00 0.00 H new ATOM 1114 N ASP A 70 4.313 -6.852 4.209 1.00 0.00 N ATOM 1115 CA ASP A 70 4.352 -8.248 3.801 1.00 0.00 C ATOM 1116 C ASP A 70 3.112 -8.555 2.984 1.00 0.00 C ATOM 1117 O ASP A 70 2.005 -8.621 3.520 1.00 0.00 O ATOM 1118 CB ASP A 70 4.411 -9.174 5.018 1.00 0.00 C ATOM 1119 CG ASP A 70 5.737 -9.120 5.747 1.00 0.00 C ATOM 1120 OD1 ASP A 70 6.030 -8.090 6.387 1.00 0.00 O ATOM 1121 OD2 ASP A 70 6.478 -10.128 5.714 1.00 0.00 O ATOM 0 H ASP A 70 4.020 -6.704 5.175 1.00 0.00 H new ATOM 0 HA ASP A 70 5.248 -8.417 3.204 1.00 0.00 H new ATOM 0 HB2 ASP A 70 3.613 -8.905 5.710 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.222 -10.198 4.696 1.00 0.00 H new ATOM 1126 N VAL A 71 3.290 -8.730 1.690 1.00 0.00 N ATOM 1127 CA VAL A 71 2.157 -8.851 0.787 1.00 0.00 C ATOM 1128 C VAL A 71 1.896 -10.294 0.372 1.00 0.00 C ATOM 1129 O VAL A 71 1.243 -10.551 -0.639 1.00 0.00 O ATOM 1130 CB VAL A 71 2.327 -7.954 -0.457 1.00 0.00 C ATOM 1131 CG1 VAL A 71 1.963 -6.521 -0.118 1.00 0.00 C ATOM 1132 CG2 VAL A 71 3.746 -8.013 -0.990 1.00 0.00 C ATOM 0 H VAL A 71 4.203 -8.792 1.239 1.00 0.00 H new ATOM 0 HA VAL A 71 1.284 -8.508 1.343 1.00 0.00 H new ATOM 0 HB VAL A 71 1.657 -8.325 -1.233 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.086 -5.895 -1.002 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.926 -6.478 0.215 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.615 -6.158 0.677 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.833 -7.370 -1.866 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.438 -7.672 -0.220 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.988 -9.039 -1.267 1.00 0.00 H new ATOM 1142 N GLY A 72 2.377 -11.235 1.172 1.00 0.00 N ATOM 1143 CA GLY A 72 2.025 -12.626 0.969 1.00 0.00 C ATOM 1144 C GLY A 72 3.067 -13.399 0.189 1.00 0.00 C ATOM 1145 O GLY A 72 3.784 -12.831 -0.634 1.00 0.00 O ATOM 0 H GLY A 72 3.004 -11.061 1.957 1.00 0.00 H new ATOM 0 HA2 GLY A 72 1.880 -13.102 1.939 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.073 -12.679 0.442 1.00 0.00 H new ATOM 1149 N ALA A 73 3.160 -14.698 0.478 1.00 0.00 N ATOM 1150 CA ALA A 73 4.058 -15.618 -0.229 1.00 0.00 C ATOM 1151 C ALA A 73 5.529 -15.269 -0.011 1.00 0.00 C ATOM 1152 O ALA A 73 6.414 -15.812 -0.676 1.00 0.00 O ATOM 1153 CB ALA A 73 3.731 -15.654 -1.717 1.00 0.00 C ATOM 0 H ALA A 73 2.612 -15.146 1.213 1.00 0.00 H new ATOM 0 HA ALA A 73 3.895 -16.611 0.191 1.00 0.00 H new ATOM 0 HB1 ALA A 73 4.409 -16.342 -2.222 1.00 0.00 H new ATOM 0 HB2 ALA A 73 2.703 -15.990 -1.856 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.847 -14.656 -2.139 1.00 0.00 H new ATOM 1159 N GLY A 74 5.791 -14.385 0.939 1.00 0.00 N ATOM 1160 CA GLY A 74 7.150 -13.956 1.192 1.00 0.00 C ATOM 1161 C GLY A 74 7.525 -12.760 0.345 1.00 0.00 C ATOM 1162 O GLY A 74 8.700 -12.413 0.229 1.00 0.00 O ATOM 0 H GLY A 74 5.087 -13.957 1.540 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.262 -13.705 2.247 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.836 -14.778 0.985 1.00 0.00 H new ATOM 1166 N LYS A 75 6.526 -12.146 -0.274 1.00 0.00 N ATOM 1167 CA LYS A 75 6.745 -10.929 -1.033 1.00 0.00 C ATOM 1168 C LYS A 75 6.841 -9.746 -0.087 1.00 0.00 C ATOM 1169 O LYS A 75 6.028 -9.605 0.829 1.00 0.00 O ATOM 1170 CB LYS A 75 5.612 -10.664 -2.027 1.00 0.00 C ATOM 1171 CG LYS A 75 5.413 -11.718 -3.108 1.00 0.00 C ATOM 1172 CD LYS A 75 4.588 -11.148 -4.258 1.00 0.00 C ATOM 1173 CE LYS A 75 3.344 -10.426 -3.753 1.00 0.00 C ATOM 1174 NZ LYS A 75 2.920 -9.330 -4.667 1.00 0.00 N ATOM 0 H LYS A 75 5.560 -12.472 -0.264 1.00 0.00 H new ATOM 0 HA LYS A 75 7.673 -11.057 -1.590 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.681 -10.564 -1.469 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.797 -9.705 -2.512 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.381 -12.056 -3.478 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.910 -12.589 -2.688 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.200 -10.457 -4.838 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.294 -11.954 -4.930 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.529 -11.142 -3.645 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.541 -10.015 -2.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.395 -8.612 -4.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.760 -8.894 -5.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.309 -9.718 -5.414 1.00 0.00 H new ATOM 1188 N TYR A 76 7.824 -8.895 -0.308 1.00 0.00 N ATOM 1189 CA TYR A 76 7.971 -7.694 0.495 1.00 0.00 C ATOM 1190 C TYR A 76 7.732 -6.463 -0.360 1.00 0.00 C ATOM 1191 O TYR A 76 8.405 -6.258 -1.369 1.00 0.00 O ATOM 1192 CB TYR A 76 9.358 -7.634 1.137 1.00 0.00 C ATOM 1193 CG TYR A 76 9.661 -8.817 2.028 1.00 0.00 C ATOM 1194 CD1 TYR A 76 9.109 -8.914 3.298 1.00 0.00 C ATOM 1195 CD2 TYR A 76 10.500 -9.835 1.597 1.00 0.00 C ATOM 1196 CE1 TYR A 76 9.384 -9.994 4.114 1.00 0.00 C ATOM 1197 CE2 TYR A 76 10.780 -10.919 2.407 1.00 0.00 C ATOM 1198 CZ TYR A 76 10.219 -10.993 3.662 1.00 0.00 C ATOM 1199 OH TYR A 76 10.492 -12.073 4.472 1.00 0.00 O ATOM 0 H TYR A 76 8.531 -9.011 -1.034 1.00 0.00 H new ATOM 0 HA TYR A 76 7.229 -7.721 1.293 1.00 0.00 H new ATOM 0 HB2 TYR A 76 10.111 -7.579 0.351 1.00 0.00 H new ATOM 0 HB3 TYR A 76 9.440 -6.718 1.722 1.00 0.00 H new ATOM 0 HD1 TYR A 76 8.454 -8.132 3.654 1.00 0.00 H new ATOM 0 HD2 TYR A 76 10.941 -9.779 0.613 1.00 0.00 H new ATOM 0 HE1 TYR A 76 8.947 -10.055 5.100 1.00 0.00 H new ATOM 0 HE2 TYR A 76 11.435 -11.703 2.058 1.00 0.00 H new ATOM 0 HH TYR A 76 11.096 -12.688 4.005 1.00 0.00 H new ATOM 1209 N LEU A 77 6.767 -5.654 0.043 1.00 0.00 N ATOM 1210 CA LEU A 77 6.372 -4.492 -0.731 1.00 0.00 C ATOM 1211 C LEU A 77 6.896 -3.205 -0.108 1.00 0.00 C ATOM 1212 O LEU A 77 6.550 -2.863 1.026 1.00 0.00 O ATOM 1213 CB LEU A 77 4.845 -4.438 -0.849 1.00 0.00 C ATOM 1214 CG LEU A 77 4.277 -3.225 -1.588 1.00 0.00 C ATOM 1215 CD1 LEU A 77 4.836 -3.139 -2.996 1.00 0.00 C ATOM 1216 CD2 LEU A 77 2.759 -3.298 -1.625 1.00 0.00 C ATOM 0 H LEU A 77 6.241 -5.783 0.907 1.00 0.00 H new ATOM 0 HA LEU A 77 6.809 -4.583 -1.725 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.507 -5.341 -1.357 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.421 -4.460 0.155 1.00 0.00 H new ATOM 0 HG LEU A 77 4.574 -2.325 -1.050 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.417 -2.269 -3.501 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.921 -3.046 -2.952 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.572 -4.041 -3.548 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.366 -2.430 -2.153 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.451 -4.207 -2.141 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.370 -3.310 -0.607 1.00 0.00 H new ATOM 1228 N GLN A 78 7.745 -2.510 -0.852 1.00 0.00 N ATOM 1229 CA GLN A 78 8.191 -1.179 -0.476 1.00 0.00 C ATOM 1230 C GLN A 78 8.198 -0.277 -1.703 1.00 0.00 C ATOM 1231 O GLN A 78 8.457 -0.732 -2.820 1.00 0.00 O ATOM 1232 CB GLN A 78 9.585 -1.212 0.158 1.00 0.00 C ATOM 1233 CG GLN A 78 10.653 -1.837 -0.725 1.00 0.00 C ATOM 1234 CD GLN A 78 12.057 -1.493 -0.267 1.00 0.00 C ATOM 1235 OE1 GLN A 78 12.983 -2.287 -0.411 1.00 0.00 O ATOM 1236 NE2 GLN A 78 12.227 -0.297 0.274 1.00 0.00 N ATOM 0 H GLN A 78 8.141 -2.852 -1.728 1.00 0.00 H new ATOM 0 HA GLN A 78 7.497 -0.785 0.267 1.00 0.00 H new ATOM 0 HB2 GLN A 78 9.884 -0.194 0.406 1.00 0.00 H new ATOM 0 HB3 GLN A 78 9.533 -1.766 1.095 1.00 0.00 H new ATOM 0 HG2 GLN A 78 10.530 -2.920 -0.728 1.00 0.00 H new ATOM 0 HG3 GLN A 78 10.516 -1.498 -1.752 1.00 0.00 H new ATOM 0 HE21 GLN A 78 11.432 0.334 0.376 1.00 0.00 H new ATOM 0 HE22 GLN A 78 13.153 -0.006 0.589 1.00 0.00 H new ATOM 1245 N TRP A 79 7.911 0.997 -1.501 1.00 0.00 N ATOM 1246 CA TRP A 79 7.837 1.936 -2.604 1.00 0.00 C ATOM 1247 C TRP A 79 8.597 3.211 -2.271 1.00 0.00 C ATOM 1248 O TRP A 79 8.525 3.715 -1.153 1.00 0.00 O ATOM 1249 CB TRP A 79 6.369 2.263 -2.932 1.00 0.00 C ATOM 1250 CG TRP A 79 5.644 2.985 -1.828 1.00 0.00 C ATOM 1251 CD1 TRP A 79 5.413 4.331 -1.740 1.00 0.00 C ATOM 1252 CD2 TRP A 79 5.068 2.406 -0.651 1.00 0.00 C ATOM 1253 NE1 TRP A 79 4.734 4.620 -0.583 1.00 0.00 N ATOM 1254 CE2 TRP A 79 4.511 3.457 0.101 1.00 0.00 C ATOM 1255 CE3 TRP A 79 4.967 1.099 -0.156 1.00 0.00 C ATOM 1256 CZ2 TRP A 79 3.868 3.244 1.315 1.00 0.00 C ATOM 1257 CZ3 TRP A 79 4.327 0.893 1.051 1.00 0.00 C ATOM 1258 CH2 TRP A 79 3.785 1.961 1.772 1.00 0.00 C ATOM 0 H TRP A 79 7.726 1.404 -0.584 1.00 0.00 H new ATOM 0 HA TRP A 79 8.297 1.476 -3.479 1.00 0.00 H new ATOM 0 HB2 TRP A 79 6.336 2.873 -3.835 1.00 0.00 H new ATOM 0 HB3 TRP A 79 5.841 1.336 -3.154 1.00 0.00 H new ATOM 0 HD1 TRP A 79 5.721 5.060 -2.475 1.00 0.00 H new ATOM 0 HE1 TRP A 79 4.443 5.550 -0.282 1.00 0.00 H new ATOM 0 HE3 TRP A 79 5.382 0.268 -0.708 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 3.449 4.066 1.877 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 4.244 -0.110 1.444 1.00 0.00 H new ATOM 0 HH2 TRP A 79 3.290 1.766 2.712 1.00 0.00 H new ATOM 1269 N TYR A 80 9.359 3.700 -3.233 1.00 0.00 N ATOM 1270 CA TYR A 80 9.984 5.003 -3.117 1.00 0.00 C ATOM 1271 C TYR A 80 9.931 5.699 -4.466 1.00 0.00 C ATOM 1272 O TYR A 80 9.986 5.050 -5.509 1.00 0.00 O ATOM 1273 CB TYR A 80 11.425 4.902 -2.591 1.00 0.00 C ATOM 1274 CG TYR A 80 12.417 4.238 -3.526 1.00 0.00 C ATOM 1275 CD1 TYR A 80 12.472 2.856 -3.654 1.00 0.00 C ATOM 1276 CD2 TYR A 80 13.311 5.001 -4.270 1.00 0.00 C ATOM 1277 CE1 TYR A 80 13.390 2.253 -4.496 1.00 0.00 C ATOM 1278 CE2 TYR A 80 14.233 4.405 -5.110 1.00 0.00 C ATOM 1279 CZ TYR A 80 14.265 3.033 -5.224 1.00 0.00 C ATOM 1280 OH TYR A 80 15.183 2.437 -6.062 1.00 0.00 O ATOM 0 H TYR A 80 9.560 3.212 -4.106 1.00 0.00 H new ATOM 0 HA TYR A 80 9.433 5.594 -2.386 1.00 0.00 H new ATOM 0 HB2 TYR A 80 11.782 5.907 -2.365 1.00 0.00 H new ATOM 0 HB3 TYR A 80 11.412 4.350 -1.651 1.00 0.00 H new ATOM 0 HD1 TYR A 80 11.787 2.242 -3.087 1.00 0.00 H new ATOM 0 HD2 TYR A 80 13.284 6.078 -4.190 1.00 0.00 H new ATOM 0 HE1 TYR A 80 13.421 1.177 -4.583 1.00 0.00 H new ATOM 0 HE2 TYR A 80 14.925 5.013 -5.674 1.00 0.00 H new ATOM 0 HH TYR A 80 15.722 3.128 -6.501 1.00 0.00 H new ATOM 1290 N ALA A 81 9.792 7.008 -4.447 1.00 0.00 N ATOM 1291 CA ALA A 81 9.627 7.759 -5.676 1.00 0.00 C ATOM 1292 C ALA A 81 10.950 8.327 -6.155 1.00 0.00 C ATOM 1293 O ALA A 81 11.713 8.907 -5.377 1.00 0.00 O ATOM 1294 CB ALA A 81 8.610 8.872 -5.485 1.00 0.00 C ATOM 0 H ALA A 81 9.790 7.573 -3.598 1.00 0.00 H new ATOM 0 HA ALA A 81 9.259 7.075 -6.441 1.00 0.00 H new ATOM 0 HB1 ALA A 81 8.498 9.426 -6.417 1.00 0.00 H new ATOM 0 HB2 ALA A 81 7.650 8.442 -5.200 1.00 0.00 H new ATOM 0 HB3 ALA A 81 8.952 9.547 -4.700 1.00 0.00 H new ATOM 1300 N VAL A 82 11.223 8.141 -7.434 1.00 0.00 N ATOM 1301 CA VAL A 82 12.373 8.764 -8.061 1.00 0.00 C ATOM 1302 C VAL A 82 11.996 10.178 -8.482 1.00 0.00 C ATOM 1303 O VAL A 82 11.309 10.386 -9.482 1.00 0.00 O ATOM 1304 CB VAL A 82 12.875 7.953 -9.277 1.00 0.00 C ATOM 1305 CG1 VAL A 82 13.777 6.818 -8.820 1.00 0.00 C ATOM 1306 CG2 VAL A 82 11.704 7.400 -10.083 1.00 0.00 C ATOM 0 H VAL A 82 10.662 7.562 -8.059 1.00 0.00 H new ATOM 0 HA VAL A 82 13.190 8.793 -7.340 1.00 0.00 H new ATOM 0 HB VAL A 82 13.447 8.623 -9.918 1.00 0.00 H new ATOM 0 HG11 VAL A 82 14.123 6.256 -9.688 1.00 0.00 H new ATOM 0 HG12 VAL A 82 14.635 7.227 -8.287 1.00 0.00 H new ATOM 0 HG13 VAL A 82 13.221 6.156 -8.157 1.00 0.00 H new ATOM 0 HG21 VAL A 82 12.083 6.833 -10.933 1.00 0.00 H new ATOM 0 HG22 VAL A 82 11.103 6.747 -9.450 1.00 0.00 H new ATOM 0 HG23 VAL A 82 11.088 8.224 -10.442 1.00 0.00 H new