USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=15 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 Set 1.1: A 61 HIS : no HD1:sc= 0 X(o=1.3,f=1.2) USER MOD Set 1.2: A 65 THR OG1 : rot -77:sc= 1.28 USER MOD Single : A 9 GLN : amide:sc= -3.14! C(o=-3.1!,f=-10!) USER MOD Single : A 11 ASN : amide:sc= -0.0891 X(o=-0.089,f=-0.33) USER MOD Single : A 25 THR OG1 : rot -81:sc= 0.675 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.256 USER MOD Single : A 32 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.107) USER MOD Single : A 34 LYS NZ :NH3+ 154:sc= 1.21 (180deg=1.07) USER MOD Single : A 39 LYS NZ :NH3+ 169:sc= -0.25 (180deg=-0.621) USER MOD Single : A 41 SER OG : rot 180:sc= 0.00708 USER MOD Single : A 43 SER OG : rot 180:sc= 0.0227 USER MOD Single : A 50 GLN : amide:sc= 0.922 K(o=0.92,f=-0.8) USER MOD Single : A 51 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0972) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -3.8! C(o=-3.8!,f=-7.1!) USER MOD Single : A 60 GLN : amide:sc= -0.377 K(o=-0.38,f=-1.5) USER MOD Single : A 66 SER OG : rot -3:sc= 0.436 USER MOD Single : A 67 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -118:sc= 0.146 (180deg=-0.623) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 134 N GLN A 9 -0.099 13.243 -11.072 1.00 0.00 N ATOM 135 CA GLN A 9 0.389 12.019 -10.465 1.00 0.00 C ATOM 136 C GLN A 9 1.904 12.045 -10.381 1.00 0.00 C ATOM 137 O GLN A 9 2.569 12.755 -11.142 1.00 0.00 O ATOM 138 CB GLN A 9 -0.053 10.788 -11.261 1.00 0.00 C ATOM 139 CG GLN A 9 -1.536 10.482 -11.162 1.00 0.00 C ATOM 140 CD GLN A 9 -1.883 9.131 -11.755 1.00 0.00 C ATOM 141 OE1 GLN A 9 -1.852 8.113 -11.065 1.00 0.00 O ATOM 142 NE2 GLN A 9 -2.214 9.108 -13.035 1.00 0.00 N ATOM 0 HA GLN A 9 -0.035 11.954 -9.463 1.00 0.00 H new ATOM 0 HB2 GLN A 9 0.207 10.935 -12.309 1.00 0.00 H new ATOM 0 HB3 GLN A 9 0.509 9.922 -10.911 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -1.841 10.507 -10.116 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -2.101 11.259 -11.677 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -2.228 9.974 -13.574 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -2.455 8.224 -13.484 1.00 0.00 H new ATOM 151 N ASP A 10 2.443 11.282 -9.453 1.00 0.00 N ATOM 152 CA ASP A 10 3.881 11.130 -9.336 1.00 0.00 C ATOM 153 C ASP A 10 4.275 9.777 -9.890 1.00 0.00 C ATOM 154 O ASP A 10 3.428 8.899 -10.045 1.00 0.00 O ATOM 155 CB ASP A 10 4.345 11.244 -7.879 1.00 0.00 C ATOM 156 CG ASP A 10 4.125 12.621 -7.288 1.00 0.00 C ATOM 157 OD1 ASP A 10 4.870 13.555 -7.651 1.00 0.00 O ATOM 158 OD2 ASP A 10 3.207 12.777 -6.454 1.00 0.00 O ATOM 0 H ASP A 10 1.905 10.755 -8.765 1.00 0.00 H new ATOM 0 HA ASP A 10 4.361 11.930 -9.900 1.00 0.00 H new ATOM 0 HB2 ASP A 10 3.813 10.508 -7.276 1.00 0.00 H new ATOM 0 HB3 ASP A 10 5.405 10.996 -7.822 1.00 0.00 H new ATOM 163 N ASN A 11 5.548 9.609 -10.193 1.00 0.00 N ATOM 164 CA ASN A 11 6.040 8.327 -10.659 1.00 0.00 C ATOM 165 C ASN A 11 6.848 7.661 -9.555 1.00 0.00 C ATOM 166 O ASN A 11 7.875 8.174 -9.110 1.00 0.00 O ATOM 167 CB ASN A 11 6.857 8.475 -11.956 1.00 0.00 C ATOM 168 CG ASN A 11 7.957 9.520 -11.873 1.00 0.00 C ATOM 169 OD1 ASN A 11 9.110 9.212 -11.569 1.00 0.00 O ATOM 170 ND2 ASN A 11 7.603 10.767 -12.156 1.00 0.00 N ATOM 0 H ASN A 11 6.257 10.340 -10.125 1.00 0.00 H new ATOM 0 HA ASN A 11 5.190 7.689 -10.900 1.00 0.00 H new ATOM 0 HB2 ASN A 11 7.302 7.512 -12.206 1.00 0.00 H new ATOM 0 HB3 ASN A 11 6.182 8.735 -12.771 1.00 0.00 H new ATOM 0 HD21 ASN A 11 8.297 11.514 -12.126 1.00 0.00 H new ATOM 0 HD22 ASN A 11 6.636 10.979 -12.403 1.00 0.00 H new ATOM 177 N PHE A 12 6.344 6.532 -9.091 1.00 0.00 N ATOM 178 CA PHE A 12 6.956 5.814 -7.987 1.00 0.00 C ATOM 179 C PHE A 12 7.566 4.515 -8.479 1.00 0.00 C ATOM 180 O PHE A 12 6.914 3.746 -9.188 1.00 0.00 O ATOM 181 CB PHE A 12 5.919 5.509 -6.901 1.00 0.00 C ATOM 182 CG PHE A 12 5.252 6.727 -6.322 1.00 0.00 C ATOM 183 CD1 PHE A 12 5.919 7.531 -5.413 1.00 0.00 C ATOM 184 CD2 PHE A 12 3.956 7.060 -6.682 1.00 0.00 C ATOM 185 CE1 PHE A 12 5.307 8.646 -4.875 1.00 0.00 C ATOM 186 CE2 PHE A 12 3.337 8.171 -6.145 1.00 0.00 C ATOM 187 CZ PHE A 12 4.013 8.966 -5.239 1.00 0.00 C ATOM 0 H PHE A 12 5.505 6.089 -9.465 1.00 0.00 H new ATOM 0 HA PHE A 12 7.738 6.444 -7.565 1.00 0.00 H new ATOM 0 HB2 PHE A 12 5.154 4.855 -7.319 1.00 0.00 H new ATOM 0 HB3 PHE A 12 6.405 4.958 -6.096 1.00 0.00 H new ATOM 0 HD1 PHE A 12 6.929 7.283 -5.122 1.00 0.00 H new ATOM 0 HD2 PHE A 12 3.424 6.443 -7.391 1.00 0.00 H new ATOM 0 HE1 PHE A 12 5.839 9.267 -4.170 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.326 8.419 -6.433 1.00 0.00 H new ATOM 0 HZ PHE A 12 3.531 9.835 -4.816 1.00 0.00 H new ATOM 197 N VAL A 13 8.806 4.267 -8.102 1.00 0.00 N ATOM 198 CA VAL A 13 9.464 3.026 -8.469 1.00 0.00 C ATOM 199 C VAL A 13 9.132 1.944 -7.444 1.00 0.00 C ATOM 200 O VAL A 13 9.588 1.973 -6.297 1.00 0.00 O ATOM 201 CB VAL A 13 10.993 3.202 -8.625 1.00 0.00 C ATOM 202 CG1 VAL A 13 11.588 3.915 -7.422 1.00 0.00 C ATOM 203 CG2 VAL A 13 11.672 1.857 -8.852 1.00 0.00 C ATOM 0 H VAL A 13 9.376 4.904 -7.545 1.00 0.00 H new ATOM 0 HA VAL A 13 9.088 2.718 -9.444 1.00 0.00 H new ATOM 0 HB VAL A 13 11.171 3.824 -9.502 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.664 4.025 -7.559 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.133 4.900 -7.321 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.395 3.332 -6.521 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.747 2.005 -8.959 1.00 0.00 H new ATOM 0 HG22 VAL A 13 11.479 1.204 -8.001 1.00 0.00 H new ATOM 0 HG23 VAL A 13 11.277 1.398 -9.759 1.00 0.00 H new ATOM 213 N VAL A 14 8.292 1.015 -7.863 1.00 0.00 N ATOM 214 CA VAL A 14 7.796 -0.029 -6.984 1.00 0.00 C ATOM 215 C VAL A 14 8.655 -1.279 -7.081 1.00 0.00 C ATOM 216 O VAL A 14 8.861 -1.824 -8.167 1.00 0.00 O ATOM 217 CB VAL A 14 6.328 -0.381 -7.309 1.00 0.00 C ATOM 218 CG1 VAL A 14 5.821 -1.493 -6.402 1.00 0.00 C ATOM 219 CG2 VAL A 14 5.451 0.855 -7.178 1.00 0.00 C ATOM 0 H VAL A 14 7.936 0.962 -8.817 1.00 0.00 H new ATOM 0 HA VAL A 14 7.847 0.355 -5.965 1.00 0.00 H new ATOM 0 HB VAL A 14 6.281 -0.738 -8.338 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.785 -1.722 -6.651 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.433 -2.384 -6.542 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.881 -1.171 -5.363 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.418 0.595 -7.410 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.509 1.236 -6.158 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.796 1.621 -7.872 1.00 0.00 H new ATOM 229 N LEU A 15 9.165 -1.712 -5.940 1.00 0.00 N ATOM 230 CA LEU A 15 9.935 -2.936 -5.862 1.00 0.00 C ATOM 231 C LEU A 15 9.002 -4.090 -5.536 1.00 0.00 C ATOM 232 O LEU A 15 8.572 -4.254 -4.391 1.00 0.00 O ATOM 233 CB LEU A 15 11.026 -2.815 -4.793 1.00 0.00 C ATOM 234 CG LEU A 15 11.911 -1.570 -4.902 1.00 0.00 C ATOM 235 CD1 LEU A 15 12.959 -1.564 -3.802 1.00 0.00 C ATOM 236 CD2 LEU A 15 12.571 -1.493 -6.272 1.00 0.00 C ATOM 0 H LEU A 15 9.057 -1.227 -5.049 1.00 0.00 H new ATOM 0 HA LEU A 15 10.420 -3.120 -6.821 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.552 -2.820 -3.811 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.662 -3.699 -4.844 1.00 0.00 H new ATOM 0 HG LEU A 15 11.279 -0.690 -4.781 1.00 0.00 H new ATOM 0 HD11 LEU A 15 13.579 -0.672 -3.895 1.00 0.00 H new ATOM 0 HD12 LEU A 15 12.466 -1.564 -2.830 1.00 0.00 H new ATOM 0 HD13 LEU A 15 13.585 -2.452 -3.891 1.00 0.00 H new ATOM 0 HD21 LEU A 15 13.195 -0.601 -6.326 1.00 0.00 H new ATOM 0 HD22 LEU A 15 13.189 -2.377 -6.428 1.00 0.00 H new ATOM 0 HD23 LEU A 15 11.803 -1.446 -7.044 1.00 0.00 H new ATOM 248 N GLU A 16 8.670 -4.867 -6.554 1.00 0.00 N ATOM 249 CA GLU A 16 7.731 -5.963 -6.413 1.00 0.00 C ATOM 250 C GLU A 16 8.438 -7.279 -6.709 1.00 0.00 C ATOM 251 O GLU A 16 9.510 -7.296 -7.314 1.00 0.00 O ATOM 252 CB GLU A 16 6.546 -5.753 -7.372 1.00 0.00 C ATOM 253 CG GLU A 16 5.171 -5.964 -6.746 1.00 0.00 C ATOM 254 CD GLU A 16 4.810 -7.424 -6.560 1.00 0.00 C ATOM 255 OE1 GLU A 16 5.363 -8.068 -5.652 1.00 0.00 O ATOM 256 OE2 GLU A 16 3.968 -7.940 -7.320 1.00 0.00 O ATOM 0 H GLU A 16 9.043 -4.755 -7.497 1.00 0.00 H new ATOM 0 HA GLU A 16 7.350 -5.994 -5.392 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.596 -4.740 -7.772 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.654 -6.435 -8.215 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.141 -5.464 -5.778 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.418 -5.489 -7.374 1.00 0.00 H new ATOM 354 N PHE A 23 8.792 2.587 -12.518 1.00 0.00 N ATOM 355 CA PHE A 23 8.205 3.819 -12.019 1.00 0.00 C ATOM 356 C PHE A 23 6.815 3.996 -12.619 1.00 0.00 C ATOM 357 O PHE A 23 6.658 4.195 -13.824 1.00 0.00 O ATOM 358 CB PHE A 23 9.111 5.034 -12.309 1.00 0.00 C ATOM 359 CG PHE A 23 9.398 5.285 -13.767 1.00 0.00 C ATOM 360 CD1 PHE A 23 10.256 4.457 -14.476 1.00 0.00 C ATOM 361 CD2 PHE A 23 8.811 6.354 -14.426 1.00 0.00 C ATOM 362 CE1 PHE A 23 10.520 4.691 -15.810 1.00 0.00 C ATOM 363 CE2 PHE A 23 9.071 6.592 -15.761 1.00 0.00 C ATOM 364 CZ PHE A 23 9.926 5.757 -16.454 1.00 0.00 C ATOM 0 HA PHE A 23 8.112 3.754 -10.935 1.00 0.00 H new ATOM 0 HB2 PHE A 23 8.644 5.924 -11.888 1.00 0.00 H new ATOM 0 HB3 PHE A 23 10.058 4.894 -11.787 1.00 0.00 H new ATOM 0 HD1 PHE A 23 10.723 3.620 -13.978 1.00 0.00 H new ATOM 0 HD2 PHE A 23 8.142 7.009 -13.888 1.00 0.00 H new ATOM 0 HE1 PHE A 23 11.191 4.040 -16.350 1.00 0.00 H new ATOM 0 HE2 PHE A 23 8.607 7.429 -16.262 1.00 0.00 H new ATOM 0 HZ PHE A 23 10.129 5.938 -17.499 1.00 0.00 H new ATOM 374 N LEU A 24 5.808 3.886 -11.773 1.00 0.00 N ATOM 375 CA LEU A 24 4.425 3.902 -12.222 1.00 0.00 C ATOM 376 C LEU A 24 3.647 5.033 -11.562 1.00 0.00 C ATOM 377 O LEU A 24 4.171 5.733 -10.692 1.00 0.00 O ATOM 378 CB LEU A 24 3.784 2.538 -11.948 1.00 0.00 C ATOM 379 CG LEU A 24 4.106 1.922 -10.584 1.00 0.00 C ATOM 380 CD1 LEU A 24 3.226 2.510 -9.495 1.00 0.00 C ATOM 381 CD2 LEU A 24 3.964 0.412 -10.636 1.00 0.00 C ATOM 0 H LEU A 24 5.921 3.784 -10.764 1.00 0.00 H new ATOM 0 HA LEU A 24 4.400 4.087 -13.296 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.702 2.640 -12.035 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.102 1.843 -12.725 1.00 0.00 H new ATOM 0 HG LEU A 24 5.141 2.163 -10.340 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.478 2.053 -8.538 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.388 3.586 -9.437 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.179 2.313 -9.727 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.197 -0.009 -9.658 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.941 0.152 -10.909 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.652 0.007 -11.378 1.00 0.00 H new ATOM 393 N THR A 25 2.398 5.204 -11.974 1.00 0.00 N ATOM 394 CA THR A 25 1.588 6.312 -11.502 1.00 0.00 C ATOM 395 C THR A 25 0.991 6.031 -10.125 1.00 0.00 C ATOM 396 O THR A 25 0.936 4.881 -9.678 1.00 0.00 O ATOM 397 CB THR A 25 0.456 6.639 -12.497 1.00 0.00 C ATOM 398 OG1 THR A 25 -0.341 5.474 -12.746 1.00 0.00 O ATOM 399 CG2 THR A 25 1.018 7.162 -13.809 1.00 0.00 C ATOM 0 H THR A 25 1.926 4.587 -12.635 1.00 0.00 H new ATOM 0 HA THR A 25 2.252 7.173 -11.422 1.00 0.00 H new ATOM 0 HB THR A 25 -0.167 7.414 -12.051 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.106 4.908 -13.409 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.199 7.385 -14.493 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.592 8.070 -13.623 1.00 0.00 H new ATOM 0 HG23 THR A 25 1.667 6.407 -14.254 1.00 0.00 H new ATOM 407 N THR A 26 0.548 7.096 -9.465 1.00 0.00 N ATOM 408 CA THR A 26 -0.042 7.012 -8.138 1.00 0.00 C ATOM 409 C THR A 26 -1.230 6.044 -8.108 1.00 0.00 C ATOM 410 O THR A 26 -1.397 5.283 -7.153 1.00 0.00 O ATOM 411 CB THR A 26 -0.509 8.405 -7.672 1.00 0.00 C ATOM 412 OG1 THR A 26 0.512 9.376 -7.953 1.00 0.00 O ATOM 413 CG2 THR A 26 -0.822 8.409 -6.181 1.00 0.00 C ATOM 0 H THR A 26 0.589 8.044 -9.839 1.00 0.00 H new ATOM 0 HA THR A 26 0.727 6.635 -7.463 1.00 0.00 H new ATOM 0 HB THR A 26 -1.420 8.659 -8.214 1.00 0.00 H new ATOM 0 HG1 THR A 26 0.212 10.261 -7.657 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.149 9.404 -5.881 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.614 7.689 -5.973 1.00 0.00 H new ATOM 0 HG23 THR A 26 0.072 8.136 -5.621 1.00 0.00 H new ATOM 421 N ILE A 27 -2.042 6.070 -9.162 1.00 0.00 N ATOM 422 CA ILE A 27 -3.201 5.189 -9.264 1.00 0.00 C ATOM 423 C ILE A 27 -2.773 3.723 -9.233 1.00 0.00 C ATOM 424 O ILE A 27 -3.358 2.909 -8.513 1.00 0.00 O ATOM 425 CB ILE A 27 -4.008 5.474 -10.555 1.00 0.00 C ATOM 426 CG1 ILE A 27 -4.644 6.867 -10.489 1.00 0.00 C ATOM 427 CG2 ILE A 27 -5.076 4.413 -10.789 1.00 0.00 C ATOM 428 CD1 ILE A 27 -5.599 7.051 -9.327 1.00 0.00 C ATOM 0 H ILE A 27 -1.918 6.694 -9.959 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.841 5.388 -8.404 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.316 5.441 -11.396 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.853 7.614 -10.418 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -5.179 7.056 -11.420 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -5.624 4.643 -11.703 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -4.603 3.436 -10.886 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -5.767 4.400 -9.946 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -6.008 8.061 -9.348 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -6.412 6.329 -9.406 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.065 6.895 -8.389 1.00 0.00 H new ATOM 440 N GLU A 28 -1.734 3.401 -9.993 1.00 0.00 N ATOM 441 CA GLU A 28 -1.228 2.035 -10.065 1.00 0.00 C ATOM 442 C GLU A 28 -0.728 1.570 -8.702 1.00 0.00 C ATOM 443 O GLU A 28 -0.938 0.421 -8.310 1.00 0.00 O ATOM 444 CB GLU A 28 -0.102 1.946 -11.089 1.00 0.00 C ATOM 445 CG GLU A 28 -0.535 2.308 -12.498 1.00 0.00 C ATOM 446 CD GLU A 28 0.628 2.360 -13.459 1.00 0.00 C ATOM 447 OE1 GLU A 28 1.060 1.289 -13.930 1.00 0.00 O ATOM 448 OE2 GLU A 28 1.120 3.474 -13.742 1.00 0.00 O ATOM 0 H GLU A 28 -1.223 4.069 -10.570 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.046 1.384 -10.374 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.708 2.609 -10.785 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.299 0.932 -11.090 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.263 1.577 -12.851 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.036 3.276 -12.484 1.00 0.00 H new ATOM 455 N LEU A 29 -0.066 2.471 -7.987 1.00 0.00 N ATOM 456 CA LEU A 29 0.448 2.165 -6.661 1.00 0.00 C ATOM 457 C LEU A 29 -0.701 1.970 -5.678 1.00 0.00 C ATOM 458 O LEU A 29 -0.684 1.040 -4.869 1.00 0.00 O ATOM 459 CB LEU A 29 1.381 3.281 -6.181 1.00 0.00 C ATOM 460 CG LEU A 29 2.014 3.061 -4.802 1.00 0.00 C ATOM 461 CD1 LEU A 29 2.806 1.761 -4.775 1.00 0.00 C ATOM 462 CD2 LEU A 29 2.910 4.232 -4.436 1.00 0.00 C ATOM 0 H LEU A 29 0.127 3.421 -8.305 1.00 0.00 H new ATOM 0 HA LEU A 29 1.018 1.237 -6.714 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.179 3.404 -6.913 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.821 4.216 -6.160 1.00 0.00 H new ATOM 0 HG LEU A 29 1.213 2.992 -4.066 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.247 1.624 -3.788 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.141 0.925 -4.995 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.598 1.802 -5.523 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.351 4.060 -3.454 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.702 4.330 -5.178 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.320 5.148 -4.413 1.00 0.00 H new ATOM 474 N LEU A 30 -1.702 2.840 -5.767 1.00 0.00 N ATOM 475 CA LEU A 30 -2.878 2.743 -4.912 1.00 0.00 C ATOM 476 C LEU A 30 -3.571 1.398 -5.072 1.00 0.00 C ATOM 477 O LEU A 30 -3.765 0.681 -4.094 1.00 0.00 O ATOM 478 CB LEU A 30 -3.869 3.867 -5.217 1.00 0.00 C ATOM 479 CG LEU A 30 -3.783 5.081 -4.291 1.00 0.00 C ATOM 480 CD1 LEU A 30 -4.754 6.160 -4.736 1.00 0.00 C ATOM 481 CD2 LEU A 30 -4.077 4.672 -2.856 1.00 0.00 C ATOM 0 H LEU A 30 -1.721 3.620 -6.423 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.535 2.838 -3.882 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.711 4.201 -6.243 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.880 3.462 -5.166 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.771 5.482 -4.342 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.679 7.016 -4.065 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.511 6.472 -5.752 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.771 5.768 -4.711 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.012 5.546 -2.208 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.080 4.250 -2.796 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.350 3.927 -2.534 1.00 0.00 H new ATOM 493 N GLU A 31 -3.929 1.056 -6.305 1.00 0.00 N ATOM 494 CA GLU A 31 -4.662 -0.179 -6.578 1.00 0.00 C ATOM 495 C GLU A 31 -3.896 -1.403 -6.079 1.00 0.00 C ATOM 496 O GLU A 31 -4.489 -2.336 -5.535 1.00 0.00 O ATOM 497 CB GLU A 31 -4.950 -0.310 -8.075 1.00 0.00 C ATOM 498 CG GLU A 31 -5.821 0.807 -8.632 1.00 0.00 C ATOM 499 CD GLU A 31 -7.169 0.903 -7.948 1.00 0.00 C ATOM 500 OE1 GLU A 31 -8.118 0.218 -8.386 1.00 0.00 O ATOM 501 OE2 GLU A 31 -7.289 1.667 -6.970 1.00 0.00 O ATOM 0 H GLU A 31 -3.724 1.616 -7.133 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.608 -0.130 -6.038 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.005 -0.326 -8.617 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.440 -1.266 -8.259 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.297 1.757 -8.525 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.972 0.645 -9.699 1.00 0.00 H new ATOM 508 N LYS A 32 -2.576 -1.386 -6.256 1.00 0.00 N ATOM 509 CA LYS A 32 -1.727 -2.471 -5.776 1.00 0.00 C ATOM 510 C LYS A 32 -1.782 -2.574 -4.260 1.00 0.00 C ATOM 511 O LYS A 32 -2.083 -3.637 -3.718 1.00 0.00 O ATOM 512 CB LYS A 32 -0.282 -2.279 -6.241 1.00 0.00 C ATOM 513 CG LYS A 32 -0.055 -2.736 -7.669 1.00 0.00 C ATOM 514 CD LYS A 32 1.355 -2.446 -8.149 1.00 0.00 C ATOM 515 CE LYS A 32 1.631 -3.143 -9.473 1.00 0.00 C ATOM 516 NZ LYS A 32 0.622 -2.794 -10.514 1.00 0.00 N ATOM 0 H LYS A 32 -2.074 -0.634 -6.727 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.106 -3.402 -6.199 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.015 -1.226 -6.155 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.384 -2.831 -5.578 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.248 -3.806 -7.741 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.769 -2.239 -8.325 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.490 -1.371 -8.264 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.074 -2.779 -7.401 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.625 -2.868 -9.826 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.634 -4.222 -9.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.947 -3.136 -11.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.288 -3.241 -10.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.502 -1.762 -10.549 1.00 0.00 H new ATOM 530 N LEU A 33 -1.511 -1.462 -3.584 1.00 0.00 N ATOM 531 CA LEU A 33 -1.555 -1.422 -2.127 1.00 0.00 C ATOM 532 C LEU A 33 -2.924 -1.839 -1.611 1.00 0.00 C ATOM 533 O LEU A 33 -3.019 -2.634 -0.689 1.00 0.00 O ATOM 534 CB LEU A 33 -1.211 -0.022 -1.616 1.00 0.00 C ATOM 535 CG LEU A 33 0.269 0.353 -1.692 1.00 0.00 C ATOM 536 CD1 LEU A 33 0.467 1.800 -1.279 1.00 0.00 C ATOM 537 CD2 LEU A 33 1.093 -0.568 -0.806 1.00 0.00 C ATOM 0 H LEU A 33 -1.259 -0.576 -4.022 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.814 -2.128 -1.752 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.784 0.707 -2.189 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.537 0.059 -0.579 1.00 0.00 H new ATOM 0 HG LEU A 33 0.606 0.236 -2.722 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.525 2.054 -1.338 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.099 2.450 -1.946 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.117 1.937 -0.256 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.145 -0.289 -0.870 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.756 -0.477 0.227 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.970 -1.599 -1.139 1.00 0.00 H new ATOM 549 N LYS A 34 -3.974 -1.318 -2.231 1.00 0.00 N ATOM 550 CA LYS A 34 -5.344 -1.602 -1.811 1.00 0.00 C ATOM 551 C LYS A 34 -5.645 -3.099 -1.835 1.00 0.00 C ATOM 552 O LYS A 34 -6.060 -3.665 -0.823 1.00 0.00 O ATOM 553 CB LYS A 34 -6.332 -0.844 -2.702 1.00 0.00 C ATOM 554 CG LYS A 34 -6.350 0.657 -2.448 1.00 0.00 C ATOM 555 CD LYS A 34 -6.989 1.422 -3.599 1.00 0.00 C ATOM 556 CE LYS A 34 -8.398 0.939 -3.885 1.00 0.00 C ATOM 557 NZ LYS A 34 -9.018 1.669 -5.019 1.00 0.00 N ATOM 0 H LYS A 34 -3.904 -0.691 -3.033 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.455 -1.264 -0.781 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.079 -1.025 -3.747 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.333 -1.244 -2.542 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.897 0.863 -1.528 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.330 1.012 -2.299 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.011 2.485 -3.360 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.378 1.309 -4.494 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.377 -0.128 -4.109 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.012 1.065 -2.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.741 1.069 -5.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.461 2.543 -4.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.287 1.908 -5.719 1.00 0.00 H new ATOM 571 N GLY A 35 -5.423 -3.740 -2.978 1.00 0.00 N ATOM 572 CA GLY A 35 -5.692 -5.164 -3.089 1.00 0.00 C ATOM 573 C GLY A 35 -4.781 -5.989 -2.199 1.00 0.00 C ATOM 574 O GLY A 35 -5.234 -6.880 -1.465 1.00 0.00 O ATOM 0 H GLY A 35 -5.063 -3.302 -3.826 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.731 -5.358 -2.822 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.565 -5.477 -4.126 1.00 0.00 H new ATOM 578 N GLU A 36 -3.496 -5.677 -2.249 1.00 0.00 N ATOM 579 CA GLU A 36 -2.503 -6.376 -1.451 1.00 0.00 C ATOM 580 C GLU A 36 -2.784 -6.233 0.042 1.00 0.00 C ATOM 581 O GLU A 36 -2.541 -7.161 0.809 1.00 0.00 O ATOM 582 CB GLU A 36 -1.103 -5.855 -1.789 1.00 0.00 C ATOM 583 CG GLU A 36 -0.419 -6.596 -2.934 1.00 0.00 C ATOM 584 CD GLU A 36 -1.387 -7.333 -3.837 1.00 0.00 C ATOM 585 OE1 GLU A 36 -1.681 -8.513 -3.545 1.00 0.00 O ATOM 586 OE2 GLU A 36 -1.849 -6.748 -4.836 1.00 0.00 O ATOM 0 H GLU A 36 -3.114 -4.938 -2.839 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.557 -7.437 -1.693 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.173 -4.798 -2.046 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.477 -5.926 -0.900 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.151 -5.883 -3.530 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.295 -7.308 -2.521 1.00 0.00 H new ATOM 593 N LEU A 37 -3.313 -5.084 0.434 1.00 0.00 N ATOM 594 CA LEU A 37 -3.611 -4.798 1.833 1.00 0.00 C ATOM 595 C LEU A 37 -4.921 -5.447 2.278 1.00 0.00 C ATOM 596 O LEU A 37 -5.024 -5.930 3.406 1.00 0.00 O ATOM 597 CB LEU A 37 -3.675 -3.282 2.043 1.00 0.00 C ATOM 598 CG LEU A 37 -4.146 -2.810 3.416 1.00 0.00 C ATOM 599 CD1 LEU A 37 -3.181 -3.252 4.506 1.00 0.00 C ATOM 600 CD2 LEU A 37 -4.298 -1.299 3.421 1.00 0.00 C ATOM 0 H LEU A 37 -3.548 -4.324 -0.205 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.813 -5.222 2.443 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.683 -2.869 1.861 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.340 -2.860 1.289 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.115 -3.264 3.623 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.540 -2.902 5.474 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.115 -4.340 4.515 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.195 -2.831 4.312 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.634 -0.970 4.404 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.338 -0.836 3.192 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.031 -1.005 2.670 1.00 0.00 H new ATOM 612 N GLU A 38 -5.919 -5.475 1.397 1.00 0.00 N ATOM 613 CA GLU A 38 -7.231 -5.998 1.770 1.00 0.00 C ATOM 614 C GLU A 38 -7.178 -7.505 2.003 1.00 0.00 C ATOM 615 O GLU A 38 -7.988 -8.050 2.752 1.00 0.00 O ATOM 616 CB GLU A 38 -8.305 -5.631 0.727 1.00 0.00 C ATOM 617 CG GLU A 38 -8.200 -6.351 -0.615 1.00 0.00 C ATOM 618 CD GLU A 38 -8.910 -7.695 -0.626 1.00 0.00 C ATOM 619 OE1 GLU A 38 -10.069 -7.766 -0.165 1.00 0.00 O ATOM 620 OE2 GLU A 38 -8.320 -8.681 -1.115 1.00 0.00 O ATOM 0 H GLU A 38 -5.847 -5.147 0.434 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.516 -5.526 2.710 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.286 -5.840 1.154 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.258 -4.557 0.547 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.622 -5.717 -1.395 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.148 -6.500 -0.860 1.00 0.00 H new ATOM 627 N LYS A 39 -6.223 -8.183 1.372 1.00 0.00 N ATOM 628 CA LYS A 39 -6.080 -9.618 1.592 1.00 0.00 C ATOM 629 C LYS A 39 -5.290 -9.907 2.872 1.00 0.00 C ATOM 630 O LYS A 39 -5.149 -11.061 3.277 1.00 0.00 O ATOM 631 CB LYS A 39 -5.446 -10.311 0.385 1.00 0.00 C ATOM 632 CG LYS A 39 -3.961 -10.070 0.212 1.00 0.00 C ATOM 633 CD LYS A 39 -3.436 -10.834 -0.992 1.00 0.00 C ATOM 634 CE LYS A 39 -1.923 -10.871 -1.019 1.00 0.00 C ATOM 635 NZ LYS A 39 -1.335 -9.512 -1.120 1.00 0.00 N ATOM 0 H LYS A 39 -5.553 -7.775 0.721 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.082 -10.029 1.718 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.616 -11.384 0.471 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.960 -9.978 -0.517 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.772 -9.004 0.085 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.428 -10.383 1.110 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.824 -11.852 -0.974 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.804 -10.369 -1.906 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -1.556 -11.358 -0.116 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.590 -11.474 -1.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.310 -9.563 -0.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.509 -9.128 -2.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.773 -8.890 -0.411 1.00 0.00 H new ATOM 649 N ILE A 40 -4.779 -8.857 3.506 1.00 0.00 N ATOM 650 CA ILE A 40 -4.190 -8.983 4.833 1.00 0.00 C ATOM 651 C ILE A 40 -5.300 -8.871 5.875 1.00 0.00 C ATOM 652 O ILE A 40 -6.230 -8.077 5.719 1.00 0.00 O ATOM 653 CB ILE A 40 -3.079 -7.919 5.097 1.00 0.00 C ATOM 654 CG1 ILE A 40 -1.700 -8.464 4.709 1.00 0.00 C ATOM 655 CG2 ILE A 40 -3.058 -7.470 6.552 1.00 0.00 C ATOM 656 CD1 ILE A 40 -1.464 -8.562 3.221 1.00 0.00 C ATOM 0 H ILE A 40 -4.761 -7.912 3.123 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.705 -9.957 4.901 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.314 -7.054 4.476 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.934 -7.823 5.145 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.576 -9.453 5.150 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.271 -6.730 6.693 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.021 -7.030 6.811 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.867 -8.329 7.195 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.465 -8.957 3.036 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.205 -9.228 2.778 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.552 -7.572 2.773 1.00 0.00 H new ATOM 668 N SER A 41 -5.212 -9.687 6.915 1.00 0.00 N ATOM 669 CA SER A 41 -6.235 -9.735 7.949 1.00 0.00 C ATOM 670 C SER A 41 -6.381 -8.376 8.641 1.00 0.00 C ATOM 671 O SER A 41 -5.390 -7.703 8.929 1.00 0.00 O ATOM 672 CB SER A 41 -5.869 -10.817 8.962 1.00 0.00 C ATOM 673 OG SER A 41 -5.486 -12.012 8.297 1.00 0.00 O ATOM 0 H SER A 41 -4.435 -10.330 7.066 1.00 0.00 H new ATOM 0 HA SER A 41 -7.195 -9.974 7.491 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.053 -10.469 9.596 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.719 -11.014 9.616 1.00 0.00 H new ATOM 0 HG SER A 41 -5.253 -12.695 8.960 1.00 0.00 H new ATOM 679 N PHE A 42 -7.621 -7.984 8.909 1.00 0.00 N ATOM 680 CA PHE A 42 -7.908 -6.683 9.506 1.00 0.00 C ATOM 681 C PHE A 42 -7.309 -6.575 10.909 1.00 0.00 C ATOM 682 O PHE A 42 -6.855 -5.511 11.320 1.00 0.00 O ATOM 683 CB PHE A 42 -9.421 -6.450 9.554 1.00 0.00 C ATOM 684 CG PHE A 42 -9.809 -5.097 10.082 1.00 0.00 C ATOM 685 CD1 PHE A 42 -9.618 -3.960 9.312 1.00 0.00 C ATOM 686 CD2 PHE A 42 -10.359 -4.962 11.345 1.00 0.00 C ATOM 687 CE1 PHE A 42 -9.968 -2.714 9.793 1.00 0.00 C ATOM 688 CE2 PHE A 42 -10.712 -3.718 11.832 1.00 0.00 C ATOM 689 CZ PHE A 42 -10.515 -2.593 11.056 1.00 0.00 C ATOM 0 H PHE A 42 -8.448 -8.551 8.722 1.00 0.00 H new ATOM 0 HA PHE A 42 -7.448 -5.914 8.885 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -9.830 -6.569 8.551 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -9.878 -7.218 10.178 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -9.190 -4.050 8.324 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -10.514 -5.839 11.957 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -9.815 -1.836 9.183 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -11.142 -3.626 12.819 1.00 0.00 H new ATOM 0 HZ PHE A 42 -10.788 -1.620 11.436 1.00 0.00 H new ATOM 699 N SER A 43 -7.297 -7.684 11.633 1.00 0.00 N ATOM 700 CA SER A 43 -6.728 -7.709 12.974 1.00 0.00 C ATOM 701 C SER A 43 -5.224 -7.977 12.928 1.00 0.00 C ATOM 702 O SER A 43 -4.592 -8.231 13.957 1.00 0.00 O ATOM 703 CB SER A 43 -7.437 -8.769 13.818 1.00 0.00 C ATOM 704 OG SER A 43 -7.537 -9.999 13.118 1.00 0.00 O ATOM 0 H SER A 43 -7.674 -8.577 11.316 1.00 0.00 H new ATOM 0 HA SER A 43 -6.877 -6.731 13.432 1.00 0.00 H new ATOM 0 HB2 SER A 43 -6.891 -8.921 14.749 1.00 0.00 H new ATOM 0 HB3 SER A 43 -8.434 -8.418 14.086 1.00 0.00 H new ATOM 0 HG SER A 43 -7.993 -10.659 13.681 1.00 0.00 H new ATOM 710 N ASP A 44 -4.660 -7.916 11.727 1.00 0.00 N ATOM 711 CA ASP A 44 -3.236 -8.164 11.529 1.00 0.00 C ATOM 712 C ASP A 44 -2.526 -6.892 11.085 1.00 0.00 C ATOM 713 O ASP A 44 -1.382 -6.639 11.465 1.00 0.00 O ATOM 714 CB ASP A 44 -3.033 -9.266 10.486 1.00 0.00 C ATOM 715 CG ASP A 44 -1.574 -9.601 10.259 1.00 0.00 C ATOM 716 OD1 ASP A 44 -0.987 -10.311 11.102 1.00 0.00 O ATOM 717 OD2 ASP A 44 -1.010 -9.181 9.230 1.00 0.00 O ATOM 0 H ASP A 44 -5.170 -7.696 10.871 1.00 0.00 H new ATOM 0 HA ASP A 44 -2.808 -8.487 12.478 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -3.561 -10.164 10.806 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -3.480 -8.953 9.542 1.00 0.00 H new ATOM 722 N LEU A 45 -3.211 -6.094 10.274 1.00 0.00 N ATOM 723 CA LEU A 45 -2.653 -4.843 9.774 1.00 0.00 C ATOM 724 C LEU A 45 -2.602 -3.783 10.880 1.00 0.00 C ATOM 725 O LEU A 45 -3.313 -3.894 11.880 1.00 0.00 O ATOM 726 CB LEU A 45 -3.458 -4.354 8.553 1.00 0.00 C ATOM 727 CG LEU A 45 -4.985 -4.334 8.704 1.00 0.00 C ATOM 728 CD1 LEU A 45 -5.449 -3.100 9.460 1.00 0.00 C ATOM 729 CD2 LEU A 45 -5.647 -4.399 7.338 1.00 0.00 C ATOM 0 H LEU A 45 -4.157 -6.292 9.948 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.627 -5.021 9.453 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.126 -3.345 8.307 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.207 -4.988 7.703 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.279 -5.209 9.283 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.535 -3.116 9.550 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.002 -3.093 10.454 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.143 -2.205 8.919 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.730 -4.384 7.458 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.336 -3.541 6.742 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.350 -5.318 6.833 1.00 0.00 H new ATOM 741 N PRO A 46 -1.735 -2.759 10.719 1.00 0.00 N ATOM 742 CA PRO A 46 -1.534 -1.699 11.722 1.00 0.00 C ATOM 743 C PRO A 46 -2.837 -1.108 12.258 1.00 0.00 C ATOM 744 O PRO A 46 -3.813 -0.950 11.520 1.00 0.00 O ATOM 745 CB PRO A 46 -0.750 -0.638 10.951 1.00 0.00 C ATOM 746 CG PRO A 46 0.010 -1.405 9.929 1.00 0.00 C ATOM 747 CD PRO A 46 -0.867 -2.562 9.540 1.00 0.00 C ATOM 0 HA PRO A 46 -1.028 -2.083 12.608 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -1.417 0.089 10.487 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -0.081 -0.083 11.609 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.239 -0.782 9.065 1.00 0.00 H new ATOM 0 HG3 PRO A 46 0.961 -1.755 10.331 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.450 -2.339 8.647 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -0.279 -3.454 9.323 1.00 0.00 H new ATOM 755 N LEU A 47 -2.832 -0.762 13.543 1.00 0.00 N ATOM 756 CA LEU A 47 -4.012 -0.222 14.213 1.00 0.00 C ATOM 757 C LEU A 47 -4.456 1.093 13.573 1.00 0.00 C ATOM 758 O LEU A 47 -5.637 1.440 13.596 1.00 0.00 O ATOM 759 CB LEU A 47 -3.716 -0.014 15.701 1.00 0.00 C ATOM 760 CG LEU A 47 -4.886 0.515 16.536 1.00 0.00 C ATOM 761 CD1 LEU A 47 -6.056 -0.457 16.508 1.00 0.00 C ATOM 762 CD2 LEU A 47 -4.443 0.769 17.965 1.00 0.00 C ATOM 0 H LEU A 47 -2.014 -0.847 14.147 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.826 -0.939 14.105 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.389 -0.963 16.125 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.882 0.681 15.794 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.217 1.458 16.100 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.874 -0.059 17.108 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.392 -0.592 15.480 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.741 -1.417 16.916 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.285 1.145 18.546 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.085 -0.161 18.406 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.640 1.506 17.971 1.00 0.00 H new ATOM 774 N GLU A 48 -3.503 1.812 12.998 1.00 0.00 N ATOM 775 CA GLU A 48 -3.792 3.055 12.299 1.00 0.00 C ATOM 776 C GLU A 48 -4.727 2.777 11.126 1.00 0.00 C ATOM 777 O GLU A 48 -5.682 3.516 10.879 1.00 0.00 O ATOM 778 CB GLU A 48 -2.496 3.709 11.792 1.00 0.00 C ATOM 779 CG GLU A 48 -1.504 4.101 12.887 1.00 0.00 C ATOM 780 CD GLU A 48 -0.963 2.916 13.665 1.00 0.00 C ATOM 781 OE1 GLU A 48 -0.715 1.858 13.047 1.00 0.00 O ATOM 782 OE2 GLU A 48 -0.797 3.031 14.895 1.00 0.00 O ATOM 0 H GLU A 48 -2.516 1.553 13.002 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.274 3.742 12.994 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.004 3.021 11.105 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.755 4.600 11.220 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.671 4.640 12.436 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.991 4.788 13.579 1.00 0.00 H new ATOM 789 N LEU A 49 -4.463 1.678 10.433 1.00 0.00 N ATOM 790 CA LEU A 49 -5.271 1.278 9.294 1.00 0.00 C ATOM 791 C LEU A 49 -6.603 0.715 9.775 1.00 0.00 C ATOM 792 O LEU A 49 -7.608 0.792 9.078 1.00 0.00 O ATOM 793 CB LEU A 49 -4.529 0.243 8.447 1.00 0.00 C ATOM 794 CG LEU A 49 -3.133 0.660 7.971 1.00 0.00 C ATOM 795 CD1 LEU A 49 -2.554 -0.393 7.041 1.00 0.00 C ATOM 796 CD2 LEU A 49 -3.180 2.012 7.279 1.00 0.00 C ATOM 0 H LEU A 49 -3.691 1.046 10.643 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.461 2.154 8.674 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.437 -0.676 9.026 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.138 0.010 7.573 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.486 0.747 8.844 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.563 -0.082 6.712 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.479 -1.344 7.569 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.204 -0.510 6.174 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.178 2.287 6.950 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.843 1.956 6.416 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.553 2.764 7.974 1.00 0.00 H new ATOM 808 N GLN A 50 -6.600 0.161 10.985 1.00 0.00 N ATOM 809 CA GLN A 50 -7.825 -0.332 11.608 1.00 0.00 C ATOM 810 C GLN A 50 -8.756 0.829 11.951 1.00 0.00 C ATOM 811 O GLN A 50 -9.965 0.649 12.102 1.00 0.00 O ATOM 812 CB GLN A 50 -7.500 -1.132 12.874 1.00 0.00 C ATOM 813 CG GLN A 50 -6.699 -2.395 12.612 1.00 0.00 C ATOM 814 CD GLN A 50 -6.377 -3.158 13.882 1.00 0.00 C ATOM 815 OE1 GLN A 50 -7.137 -3.124 14.851 1.00 0.00 O ATOM 816 NE2 GLN A 50 -5.247 -3.847 13.885 1.00 0.00 N ATOM 0 H GLN A 50 -5.762 0.042 11.554 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.328 -0.988 10.897 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.943 -0.496 13.562 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.432 -1.401 13.372 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.259 -3.042 11.937 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.770 -2.133 12.105 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.647 -3.847 13.060 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -4.976 -4.378 14.712 1.00 0.00 H new ATOM 825 N LYS A 51 -8.184 2.019 12.090 1.00 0.00 N ATOM 826 CA LYS A 51 -8.968 3.219 12.346 1.00 0.00 C ATOM 827 C LYS A 51 -9.468 3.816 11.034 1.00 0.00 C ATOM 828 O LYS A 51 -10.516 4.463 10.988 1.00 0.00 O ATOM 829 CB LYS A 51 -8.130 4.245 13.108 1.00 0.00 C ATOM 830 CG LYS A 51 -7.732 3.793 14.504 1.00 0.00 C ATOM 831 CD LYS A 51 -6.772 4.775 15.154 1.00 0.00 C ATOM 832 CE LYS A 51 -6.416 4.361 16.573 1.00 0.00 C ATOM 833 NZ LYS A 51 -7.584 4.450 17.495 1.00 0.00 N ATOM 0 H LYS A 51 -7.178 2.178 12.029 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.830 2.948 12.956 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.228 4.462 12.535 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.692 5.176 13.183 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -8.624 3.691 15.123 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.267 2.809 14.450 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -5.863 4.844 14.557 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -7.221 5.768 15.167 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.037 3.339 16.567 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -5.613 4.997 16.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -7.262 4.324 18.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -8.035 5.382 17.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -8.271 3.706 17.258 1.00 0.00 H new ATOM 847 N LEU A 52 -8.704 3.600 9.970 1.00 0.00 N ATOM 848 CA LEU A 52 -9.090 4.061 8.643 1.00 0.00 C ATOM 849 C LEU A 52 -10.088 3.099 8.005 1.00 0.00 C ATOM 850 O LEU A 52 -9.734 2.003 7.579 1.00 0.00 O ATOM 851 CB LEU A 52 -7.856 4.213 7.755 1.00 0.00 C ATOM 852 CG LEU A 52 -6.846 5.254 8.235 1.00 0.00 C ATOM 853 CD1 LEU A 52 -5.600 5.224 7.369 1.00 0.00 C ATOM 854 CD2 LEU A 52 -7.470 6.642 8.226 1.00 0.00 C ATOM 0 H LEU A 52 -7.811 3.107 10.001 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.571 5.034 8.745 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.355 3.247 7.684 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.180 4.479 6.749 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.559 5.012 9.258 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.891 5.972 7.725 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.143 4.236 7.423 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -5.870 5.443 6.336 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.738 7.372 8.571 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.784 6.893 7.213 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.336 6.656 8.888 1.00 0.00 H new ATOM 866 N ASP A 53 -11.340 3.529 7.938 1.00 0.00 N ATOM 867 CA ASP A 53 -12.420 2.695 7.423 1.00 0.00 C ATOM 868 C ASP A 53 -12.295 2.489 5.916 1.00 0.00 C ATOM 869 O ASP A 53 -12.800 1.509 5.371 1.00 0.00 O ATOM 870 CB ASP A 53 -13.773 3.334 7.743 1.00 0.00 C ATOM 871 CG ASP A 53 -14.001 4.621 6.975 1.00 0.00 C ATOM 872 OD1 ASP A 53 -13.524 5.685 7.430 1.00 0.00 O ATOM 873 OD2 ASP A 53 -14.646 4.577 5.907 1.00 0.00 O ATOM 0 H ASP A 53 -11.636 4.458 8.236 1.00 0.00 H new ATOM 0 HA ASP A 53 -12.350 1.721 7.908 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -14.570 2.628 7.508 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -13.832 3.537 8.812 1.00 0.00 H new ATOM 878 N SER A 54 -11.629 3.412 5.242 1.00 0.00 N ATOM 879 CA SER A 54 -11.520 3.353 3.796 1.00 0.00 C ATOM 880 C SER A 54 -10.239 2.639 3.376 1.00 0.00 C ATOM 881 O SER A 54 -9.140 3.023 3.778 1.00 0.00 O ATOM 882 CB SER A 54 -11.564 4.766 3.216 1.00 0.00 C ATOM 883 OG SER A 54 -12.715 5.461 3.672 1.00 0.00 O ATOM 0 H SER A 54 -11.158 4.208 5.672 1.00 0.00 H new ATOM 0 HA SER A 54 -12.363 2.783 3.405 1.00 0.00 H new ATOM 0 HB2 SER A 54 -10.666 5.311 3.505 1.00 0.00 H new ATOM 0 HB3 SER A 54 -11.570 4.717 2.127 1.00 0.00 H new ATOM 0 HG SER A 54 -12.724 6.364 3.291 1.00 0.00 H new ATOM 889 N LEU A 55 -10.392 1.599 2.564 1.00 0.00 N ATOM 890 CA LEU A 55 -9.256 0.858 2.029 1.00 0.00 C ATOM 891 C LEU A 55 -8.312 1.780 1.239 1.00 0.00 C ATOM 892 O LEU A 55 -7.095 1.715 1.425 1.00 0.00 O ATOM 893 CB LEU A 55 -9.738 -0.304 1.151 1.00 0.00 C ATOM 894 CG LEU A 55 -8.632 -1.183 0.562 1.00 0.00 C ATOM 895 CD1 LEU A 55 -7.855 -1.883 1.668 1.00 0.00 C ATOM 896 CD2 LEU A 55 -9.220 -2.197 -0.407 1.00 0.00 C ATOM 0 H LEU A 55 -11.300 1.248 2.260 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.696 0.449 2.869 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -10.403 -0.933 1.743 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.331 0.103 0.332 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.940 -0.544 0.014 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.074 -2.503 1.228 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.402 -1.138 2.322 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.532 -2.510 2.247 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.421 -2.814 -0.817 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.934 -2.831 0.119 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.727 -1.674 -1.218 1.00 0.00 H new ATOM 908 N PRO A 56 -8.841 2.654 0.342 1.00 0.00 N ATOM 909 CA PRO A 56 -8.010 3.639 -0.363 1.00 0.00 C ATOM 910 C PRO A 56 -7.238 4.538 0.603 1.00 0.00 C ATOM 911 O PRO A 56 -6.081 4.868 0.359 1.00 0.00 O ATOM 912 CB PRO A 56 -9.018 4.463 -1.170 1.00 0.00 C ATOM 913 CG PRO A 56 -10.200 3.574 -1.329 1.00 0.00 C ATOM 914 CD PRO A 56 -10.257 2.738 -0.083 1.00 0.00 C ATOM 0 HA PRO A 56 -7.251 3.158 -0.980 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -9.283 5.383 -0.649 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -8.608 4.751 -2.138 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -11.113 4.156 -1.451 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -10.101 2.948 -2.215 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -10.879 3.201 0.683 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -10.676 1.751 -0.280 1.00 0.00 H new ATOM 922 N ALA A 57 -7.880 4.910 1.710 1.00 0.00 N ATOM 923 CA ALA A 57 -7.262 5.781 2.705 1.00 0.00 C ATOM 924 C ALA A 57 -6.100 5.076 3.391 1.00 0.00 C ATOM 925 O ALA A 57 -5.035 5.663 3.580 1.00 0.00 O ATOM 926 CB ALA A 57 -8.290 6.237 3.729 1.00 0.00 C ATOM 0 H ALA A 57 -8.831 4.620 1.939 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.873 6.661 2.193 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -7.810 6.885 4.462 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -9.086 6.785 3.226 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -8.711 5.368 4.234 1.00 0.00 H new ATOM 932 N GLN A 58 -6.310 3.812 3.749 1.00 0.00 N ATOM 933 CA GLN A 58 -5.258 2.998 4.344 1.00 0.00 C ATOM 934 C GLN A 58 -4.031 2.969 3.441 1.00 0.00 C ATOM 935 O GLN A 58 -2.920 3.277 3.873 1.00 0.00 O ATOM 936 CB GLN A 58 -5.747 1.567 4.587 1.00 0.00 C ATOM 937 CG GLN A 58 -6.817 1.446 5.659 1.00 0.00 C ATOM 938 CD GLN A 58 -7.357 0.034 5.778 1.00 0.00 C ATOM 939 OE1 GLN A 58 -6.803 -0.794 6.494 1.00 0.00 O ATOM 940 NE2 GLN A 58 -8.453 -0.249 5.091 1.00 0.00 N ATOM 0 H GLN A 58 -7.202 3.330 3.636 1.00 0.00 H new ATOM 0 HA GLN A 58 -4.990 3.446 5.301 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -6.139 1.166 3.652 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.896 0.947 4.868 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -6.403 1.756 6.619 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -7.636 2.128 5.430 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -8.887 0.465 4.506 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -8.864 -1.181 5.147 1.00 0.00 H new ATOM 949 N ALA A 59 -4.254 2.627 2.176 1.00 0.00 N ATOM 950 CA ALA A 59 -3.173 2.525 1.203 1.00 0.00 C ATOM 951 C ALA A 59 -2.515 3.881 0.957 1.00 0.00 C ATOM 952 O ALA A 59 -1.291 3.982 0.882 1.00 0.00 O ATOM 953 CB ALA A 59 -3.699 1.954 -0.103 1.00 0.00 C ATOM 0 H ALA A 59 -5.178 2.415 1.800 1.00 0.00 H new ATOM 0 HA ALA A 59 -2.416 1.854 1.610 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.884 1.882 -0.823 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.115 0.962 0.075 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.476 2.608 -0.499 1.00 0.00 H new ATOM 959 N GLN A 60 -3.333 4.918 0.839 1.00 0.00 N ATOM 960 CA GLN A 60 -2.832 6.259 0.575 1.00 0.00 C ATOM 961 C GLN A 60 -1.965 6.733 1.737 1.00 0.00 C ATOM 962 O GLN A 60 -0.899 7.313 1.535 1.00 0.00 O ATOM 963 CB GLN A 60 -4.005 7.222 0.350 1.00 0.00 C ATOM 964 CG GLN A 60 -3.656 8.467 -0.456 1.00 0.00 C ATOM 965 CD GLN A 60 -2.831 9.483 0.313 1.00 0.00 C ATOM 966 OE1 GLN A 60 -2.959 9.621 1.534 1.00 0.00 O ATOM 967 NE2 GLN A 60 -1.977 10.200 -0.400 1.00 0.00 N ATOM 0 H GLN A 60 -4.348 4.856 0.922 1.00 0.00 H new ATOM 0 HA GLN A 60 -2.220 6.240 -0.327 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.805 6.686 -0.161 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.396 7.530 1.319 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.107 8.168 -1.349 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -4.578 8.941 -0.792 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.904 10.053 -1.407 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -1.392 10.899 0.057 1.00 0.00 H new ATOM 976 N HIS A 61 -2.423 6.464 2.955 1.00 0.00 N ATOM 977 CA HIS A 61 -1.708 6.889 4.152 1.00 0.00 C ATOM 978 C HIS A 61 -0.353 6.198 4.253 1.00 0.00 C ATOM 979 O HIS A 61 0.592 6.760 4.801 1.00 0.00 O ATOM 980 CB HIS A 61 -2.535 6.616 5.409 1.00 0.00 C ATOM 981 CG HIS A 61 -1.949 7.220 6.649 1.00 0.00 C ATOM 982 ND1 HIS A 61 -1.858 8.579 6.849 1.00 0.00 N ATOM 983 CD2 HIS A 61 -1.415 6.645 7.754 1.00 0.00 C ATOM 984 CE1 HIS A 61 -1.293 8.815 8.018 1.00 0.00 C ATOM 985 NE2 HIS A 61 -1.015 7.659 8.588 1.00 0.00 N ATOM 0 H HIS A 61 -3.287 5.953 3.139 1.00 0.00 H new ATOM 0 HA HIS A 61 -1.542 7.963 4.074 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -3.542 7.007 5.264 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.628 5.539 5.547 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -1.322 5.586 7.943 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -1.092 9.790 8.437 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -0.575 7.538 9.500 1.00 0.00 H new ATOM 994 N LEU A 62 -0.270 4.978 3.731 1.00 0.00 N ATOM 995 CA LEU A 62 1.001 4.265 3.666 1.00 0.00 C ATOM 996 C LEU A 62 1.989 5.058 2.818 1.00 0.00 C ATOM 997 O LEU A 62 3.120 5.329 3.238 1.00 0.00 O ATOM 998 CB LEU A 62 0.808 2.863 3.073 1.00 0.00 C ATOM 999 CG LEU A 62 -0.127 1.939 3.856 1.00 0.00 C ATOM 1000 CD1 LEU A 62 -0.363 0.649 3.086 1.00 0.00 C ATOM 1001 CD2 LEU A 62 0.443 1.632 5.234 1.00 0.00 C ATOM 0 H LEU A 62 -1.064 4.464 3.349 1.00 0.00 H new ATOM 0 HA LEU A 62 1.394 4.158 4.677 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.422 2.967 2.059 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.784 2.383 2.996 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.080 2.451 3.986 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.030 0.002 3.656 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.816 0.879 2.122 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.588 0.140 2.928 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.239 0.974 5.772 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.411 1.142 5.127 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.566 2.560 5.792 1.00 0.00 H new ATOM 1013 N ILE A 63 1.527 5.445 1.633 1.00 0.00 N ATOM 1014 CA ILE A 63 2.299 6.262 0.708 1.00 0.00 C ATOM 1015 C ILE A 63 2.680 7.592 1.352 1.00 0.00 C ATOM 1016 O ILE A 63 3.826 8.041 1.262 1.00 0.00 O ATOM 1017 CB ILE A 63 1.481 6.550 -0.570 1.00 0.00 C ATOM 1018 CG1 ILE A 63 1.044 5.241 -1.229 1.00 0.00 C ATOM 1019 CG2 ILE A 63 2.285 7.397 -1.546 1.00 0.00 C ATOM 1020 CD1 ILE A 63 0.073 5.428 -2.377 1.00 0.00 C ATOM 0 H ILE A 63 0.600 5.198 1.287 1.00 0.00 H new ATOM 0 HA ILE A 63 3.202 5.708 0.452 1.00 0.00 H new ATOM 0 HB ILE A 63 0.590 7.111 -0.288 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.927 4.717 -1.594 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.583 4.602 -0.476 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.689 7.588 -2.439 1.00 0.00 H new ATOM 0 HG22 ILE A 63 2.547 8.345 -1.075 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.196 6.866 -1.824 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.190 4.455 -2.793 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.828 5.924 -2.015 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.538 6.040 -3.150 1.00 0.00 H new ATOM 1032 N ASP A 64 1.700 8.209 1.996 1.00 0.00 N ATOM 1033 CA ASP A 64 1.875 9.518 2.613 1.00 0.00 C ATOM 1034 C ASP A 64 2.879 9.456 3.757 1.00 0.00 C ATOM 1035 O ASP A 64 3.962 10.037 3.674 1.00 0.00 O ATOM 1036 CB ASP A 64 0.532 10.044 3.123 1.00 0.00 C ATOM 1037 CG ASP A 64 0.627 11.452 3.676 1.00 0.00 C ATOM 1038 OD1 ASP A 64 0.902 11.607 4.884 1.00 0.00 O ATOM 1039 OD2 ASP A 64 0.414 12.413 2.903 1.00 0.00 O ATOM 0 H ASP A 64 0.764 7.819 2.106 1.00 0.00 H new ATOM 0 HA ASP A 64 2.263 10.199 1.856 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.193 10.026 2.310 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.157 9.378 3.900 1.00 0.00 H new ATOM 1044 N THR A 65 2.528 8.731 4.810 1.00 0.00 N ATOM 1045 CA THR A 65 3.364 8.664 5.994 1.00 0.00 C ATOM 1046 C THR A 65 3.274 7.304 6.680 1.00 0.00 C ATOM 1047 O THR A 65 2.668 7.168 7.744 1.00 0.00 O ATOM 1048 CB THR A 65 2.997 9.769 7.006 1.00 0.00 C ATOM 1049 OG1 THR A 65 1.591 10.051 6.934 1.00 0.00 O ATOM 1050 CG2 THR A 65 3.794 11.039 6.749 1.00 0.00 C ATOM 0 H THR A 65 1.670 8.182 4.866 1.00 0.00 H new ATOM 0 HA THR A 65 4.389 8.815 5.654 1.00 0.00 H new ATOM 0 HB THR A 65 3.245 9.410 8.005 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.407 10.600 6.143 1.00 0.00 H new ATOM 0 HG21 THR A 65 3.513 11.799 7.478 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.859 10.825 6.840 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.582 11.405 5.744 1.00 0.00 H new ATOM 1058 N SER A 66 3.829 6.282 6.045 1.00 0.00 N ATOM 1059 CA SER A 66 3.992 4.989 6.691 1.00 0.00 C ATOM 1060 C SER A 66 5.270 4.311 6.209 1.00 0.00 C ATOM 1061 O SER A 66 6.102 4.933 5.543 1.00 0.00 O ATOM 1062 CB SER A 66 2.775 4.098 6.437 1.00 0.00 C ATOM 1063 OG SER A 66 1.593 4.690 6.956 1.00 0.00 O ATOM 0 H SER A 66 4.173 6.323 5.086 1.00 0.00 H new ATOM 0 HA SER A 66 4.073 5.149 7.766 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.661 3.929 5.366 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.931 3.123 6.899 1.00 0.00 H new ATOM 0 HG SER A 66 1.820 5.526 7.415 1.00 0.00 H new ATOM 1069 N CYS A 67 5.428 3.047 6.558 1.00 0.00 N ATOM 1070 CA CYS A 67 6.620 2.295 6.205 1.00 0.00 C ATOM 1071 C CYS A 67 6.326 1.350 5.035 1.00 0.00 C ATOM 1072 O CYS A 67 5.482 1.647 4.191 1.00 0.00 O ATOM 1073 CB CYS A 67 7.100 1.515 7.431 1.00 0.00 C ATOM 1074 SG CYS A 67 7.401 2.555 8.883 1.00 0.00 S ATOM 0 H CYS A 67 4.739 2.515 7.090 1.00 0.00 H new ATOM 0 HA CYS A 67 7.406 2.980 5.889 1.00 0.00 H new ATOM 0 HB2 CYS A 67 6.356 0.759 7.684 1.00 0.00 H new ATOM 0 HB3 CYS A 67 8.019 0.986 7.177 1.00 0.00 H new ATOM 0 HG CYS A 67 7.801 1.813 9.873 1.00 0.00 H new ATOM 1080 N GLU A 68 7.015 0.217 4.992 1.00 0.00 N ATOM 1081 CA GLU A 68 6.834 -0.746 3.917 1.00 0.00 C ATOM 1082 C GLU A 68 5.826 -1.814 4.330 1.00 0.00 C ATOM 1083 O GLU A 68 5.491 -1.945 5.509 1.00 0.00 O ATOM 1084 CB GLU A 68 8.172 -1.397 3.523 1.00 0.00 C ATOM 1085 CG GLU A 68 8.897 -2.104 4.664 1.00 0.00 C ATOM 1086 CD GLU A 68 9.792 -1.178 5.468 1.00 0.00 C ATOM 1087 OE1 GLU A 68 9.269 -0.362 6.253 1.00 0.00 O ATOM 1088 OE2 GLU A 68 11.028 -1.264 5.319 1.00 0.00 O ATOM 0 H GLU A 68 7.705 -0.057 5.691 1.00 0.00 H new ATOM 0 HA GLU A 68 6.450 -0.214 3.047 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.989 -2.117 2.725 1.00 0.00 H new ATOM 0 HB3 GLU A 68 8.828 -0.628 3.115 1.00 0.00 H new ATOM 0 HG2 GLU A 68 8.161 -2.555 5.329 1.00 0.00 H new ATOM 0 HG3 GLU A 68 9.498 -2.916 4.256 1.00 0.00 H new ATOM 1095 N LEU A 69 5.340 -2.570 3.356 1.00 0.00 N ATOM 1096 CA LEU A 69 4.288 -3.541 3.602 1.00 0.00 C ATOM 1097 C LEU A 69 4.639 -4.896 3.005 1.00 0.00 C ATOM 1098 O LEU A 69 4.915 -5.009 1.810 1.00 0.00 O ATOM 1099 CB LEU A 69 2.967 -3.036 3.001 1.00 0.00 C ATOM 1100 CG LEU A 69 1.762 -3.977 3.141 1.00 0.00 C ATOM 1101 CD1 LEU A 69 1.396 -4.171 4.602 1.00 0.00 C ATOM 1102 CD2 LEU A 69 0.573 -3.432 2.366 1.00 0.00 C ATOM 0 H LEU A 69 5.659 -2.528 2.388 1.00 0.00 H new ATOM 0 HA LEU A 69 4.180 -3.662 4.680 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.717 -2.085 3.471 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.126 -2.836 1.941 1.00 0.00 H new ATOM 0 HG LEU A 69 2.036 -4.947 2.726 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.540 -4.841 4.677 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.243 -4.603 5.135 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.142 -3.208 5.045 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.274 -4.110 2.475 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.304 -2.450 2.755 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.835 -3.345 1.312 1.00 0.00 H new ATOM 1114 N ASP A 70 4.649 -5.920 3.840 1.00 0.00 N ATOM 1115 CA ASP A 70 4.735 -7.281 3.343 1.00 0.00 C ATOM 1116 C ASP A 70 3.332 -7.728 2.976 1.00 0.00 C ATOM 1117 O ASP A 70 2.385 -7.515 3.729 1.00 0.00 O ATOM 1118 CB ASP A 70 5.373 -8.230 4.368 1.00 0.00 C ATOM 1119 CG ASP A 70 4.589 -8.349 5.656 1.00 0.00 C ATOM 1120 OD1 ASP A 70 4.605 -7.388 6.450 1.00 0.00 O ATOM 1121 OD2 ASP A 70 3.991 -9.420 5.896 1.00 0.00 O ATOM 0 H ASP A 70 4.599 -5.837 4.855 1.00 0.00 H new ATOM 0 HA ASP A 70 5.383 -7.310 2.467 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.473 -9.219 3.921 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.380 -7.880 4.597 1.00 0.00 H new ATOM 1126 N VAL A 71 3.190 -8.316 1.807 1.00 0.00 N ATOM 1127 CA VAL A 71 1.870 -8.567 1.255 1.00 0.00 C ATOM 1128 C VAL A 71 1.550 -10.054 1.194 1.00 0.00 C ATOM 1129 O VAL A 71 0.744 -10.489 0.371 1.00 0.00 O ATOM 1130 CB VAL A 71 1.732 -7.934 -0.145 1.00 0.00 C ATOM 1131 CG1 VAL A 71 1.838 -6.419 -0.047 1.00 0.00 C ATOM 1132 CG2 VAL A 71 2.786 -8.479 -1.098 1.00 0.00 C ATOM 0 H VAL A 71 3.965 -8.628 1.222 1.00 0.00 H new ATOM 0 HA VAL A 71 1.149 -8.101 1.927 1.00 0.00 H new ATOM 0 HB VAL A 71 0.752 -8.195 -0.543 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.739 -5.982 -1.041 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.044 -6.040 0.597 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.807 -6.148 0.374 1.00 0.00 H new ATOM 0 HG21 VAL A 71 2.665 -8.016 -2.077 1.00 0.00 H new ATOM 0 HG22 VAL A 71 3.779 -8.253 -0.710 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.669 -9.559 -1.191 1.00 0.00 H new ATOM 1142 N GLY A 72 2.167 -10.821 2.076 1.00 0.00 N ATOM 1143 CA GLY A 72 1.866 -12.236 2.165 1.00 0.00 C ATOM 1144 C GLY A 72 2.631 -13.048 1.147 1.00 0.00 C ATOM 1145 O GLY A 72 3.378 -12.490 0.348 1.00 0.00 O ATOM 0 H GLY A 72 2.873 -10.490 2.734 1.00 0.00 H new ATOM 0 HA2 GLY A 72 2.105 -12.594 3.166 1.00 0.00 H new ATOM 0 HA3 GLY A 72 0.797 -12.388 2.019 1.00 0.00 H new ATOM 1149 N ALA A 73 2.469 -14.369 1.205 1.00 0.00 N ATOM 1150 CA ALA A 73 3.099 -15.293 0.253 1.00 0.00 C ATOM 1151 C ALA A 73 4.627 -15.177 0.263 1.00 0.00 C ATOM 1152 O ALA A 73 5.305 -15.656 -0.650 1.00 0.00 O ATOM 1153 CB ALA A 73 2.553 -15.058 -1.149 1.00 0.00 C ATOM 0 H ALA A 73 1.898 -14.832 1.912 1.00 0.00 H new ATOM 0 HA ALA A 73 2.852 -16.307 0.567 1.00 0.00 H new ATOM 0 HB1 ALA A 73 3.028 -15.749 -1.845 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.476 -15.223 -1.152 1.00 0.00 H new ATOM 0 HB3 ALA A 73 2.764 -14.033 -1.455 1.00 0.00 H new ATOM 1159 N GLY A 74 5.165 -14.549 1.301 1.00 0.00 N ATOM 1160 CA GLY A 74 6.597 -14.349 1.404 1.00 0.00 C ATOM 1161 C GLY A 74 7.124 -13.272 0.468 1.00 0.00 C ATOM 1162 O GLY A 74 8.335 -13.092 0.349 1.00 0.00 O ATOM 0 H GLY A 74 4.628 -14.171 2.081 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.846 -14.082 2.431 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.104 -15.289 1.187 1.00 0.00 H new ATOM 1166 N LYS A 75 6.226 -12.557 -0.202 1.00 0.00 N ATOM 1167 CA LYS A 75 6.634 -11.488 -1.105 1.00 0.00 C ATOM 1168 C LYS A 75 6.478 -10.130 -0.431 1.00 0.00 C ATOM 1169 O LYS A 75 5.518 -9.890 0.306 1.00 0.00 O ATOM 1170 CB LYS A 75 5.839 -11.536 -2.420 1.00 0.00 C ATOM 1171 CG LYS A 75 4.331 -11.609 -2.239 1.00 0.00 C ATOM 1172 CD LYS A 75 3.588 -11.452 -3.558 1.00 0.00 C ATOM 1173 CE LYS A 75 3.804 -10.069 -4.149 1.00 0.00 C ATOM 1174 NZ LYS A 75 3.023 -9.859 -5.398 1.00 0.00 N ATOM 0 H LYS A 75 5.218 -12.697 -0.137 1.00 0.00 H new ATOM 0 HA LYS A 75 7.687 -11.636 -1.347 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.080 -10.651 -3.009 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.166 -12.401 -2.997 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.067 -12.564 -1.786 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.011 -10.829 -1.548 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.930 -12.209 -4.263 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.523 -11.621 -3.401 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.521 -9.315 -3.415 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.864 -9.928 -4.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.675 -9.687 -6.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.452 -10.705 -5.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.395 -9.038 -5.281 1.00 0.00 H new ATOM 1188 N TYR A 76 7.433 -9.248 -0.677 1.00 0.00 N ATOM 1189 CA TYR A 76 7.438 -7.938 -0.045 1.00 0.00 C ATOM 1190 C TYR A 76 7.166 -6.843 -1.060 1.00 0.00 C ATOM 1191 O TYR A 76 7.611 -6.922 -2.204 1.00 0.00 O ATOM 1192 CB TYR A 76 8.772 -7.687 0.660 1.00 0.00 C ATOM 1193 CG TYR A 76 8.970 -8.555 1.879 1.00 0.00 C ATOM 1194 CD1 TYR A 76 9.503 -9.835 1.774 1.00 0.00 C ATOM 1195 CD2 TYR A 76 8.602 -8.098 3.134 1.00 0.00 C ATOM 1196 CE1 TYR A 76 9.669 -10.630 2.890 1.00 0.00 C ATOM 1197 CE2 TYR A 76 8.761 -8.888 4.255 1.00 0.00 C ATOM 1198 CZ TYR A 76 9.293 -10.153 4.127 1.00 0.00 C ATOM 1199 OH TYR A 76 9.443 -10.946 5.243 1.00 0.00 O ATOM 0 H TYR A 76 8.215 -9.415 -1.310 1.00 0.00 H new ATOM 0 HA TYR A 76 6.641 -7.921 0.698 1.00 0.00 H new ATOM 0 HB2 TYR A 76 9.586 -7.866 -0.042 1.00 0.00 H new ATOM 0 HB3 TYR A 76 8.829 -6.639 0.954 1.00 0.00 H new ATOM 0 HD1 TYR A 76 9.792 -10.213 0.804 1.00 0.00 H new ATOM 0 HD2 TYR A 76 8.184 -7.108 3.237 1.00 0.00 H new ATOM 0 HE1 TYR A 76 10.091 -11.620 2.794 1.00 0.00 H new ATOM 0 HE2 TYR A 76 8.470 -8.517 5.227 1.00 0.00 H new ATOM 0 HH TYR A 76 9.131 -10.459 6.034 1.00 0.00 H new ATOM 1209 N LEU A 77 6.423 -5.835 -0.633 1.00 0.00 N ATOM 1210 CA LEU A 77 6.098 -4.708 -1.486 1.00 0.00 C ATOM 1211 C LEU A 77 6.751 -3.449 -0.935 1.00 0.00 C ATOM 1212 O LEU A 77 6.395 -2.972 0.146 1.00 0.00 O ATOM 1213 CB LEU A 77 4.577 -4.541 -1.559 1.00 0.00 C ATOM 1214 CG LEU A 77 4.070 -3.448 -2.498 1.00 0.00 C ATOM 1215 CD1 LEU A 77 4.511 -3.726 -3.926 1.00 0.00 C ATOM 1216 CD2 LEU A 77 2.553 -3.354 -2.417 1.00 0.00 C ATOM 0 H LEU A 77 6.032 -5.776 0.307 1.00 0.00 H new ATOM 0 HA LEU A 77 6.477 -4.886 -2.493 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.141 -5.491 -1.869 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.205 -4.332 -0.556 1.00 0.00 H new ATOM 0 HG LEU A 77 4.497 -2.494 -2.189 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.141 -2.937 -4.581 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.600 -3.755 -3.972 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.109 -4.686 -4.251 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.200 -2.572 -3.090 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.113 -4.308 -2.707 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.257 -3.114 -1.396 1.00 0.00 H new ATOM 1228 N GLN A 78 7.722 -2.925 -1.663 1.00 0.00 N ATOM 1229 CA GLN A 78 8.429 -1.733 -1.226 1.00 0.00 C ATOM 1230 C GLN A 78 8.318 -0.639 -2.275 1.00 0.00 C ATOM 1231 O GLN A 78 8.544 -0.880 -3.457 1.00 0.00 O ATOM 1232 CB GLN A 78 9.900 -2.052 -0.949 1.00 0.00 C ATOM 1233 CG GLN A 78 10.102 -3.096 0.138 1.00 0.00 C ATOM 1234 CD GLN A 78 11.565 -3.401 0.396 1.00 0.00 C ATOM 1235 OE1 GLN A 78 12.206 -2.765 1.231 1.00 0.00 O ATOM 1236 NE2 GLN A 78 12.101 -4.381 -0.317 1.00 0.00 N ATOM 0 H GLN A 78 8.038 -3.304 -2.556 1.00 0.00 H new ATOM 0 HA GLN A 78 7.971 -1.381 -0.302 1.00 0.00 H new ATOM 0 HB2 GLN A 78 10.367 -2.403 -1.869 1.00 0.00 H new ATOM 0 HB3 GLN A 78 10.414 -1.135 -0.661 1.00 0.00 H new ATOM 0 HG2 GLN A 78 9.640 -2.746 1.061 1.00 0.00 H new ATOM 0 HG3 GLN A 78 9.589 -4.014 -0.147 1.00 0.00 H new ATOM 0 HE21 GLN A 78 11.534 -4.884 -1.000 1.00 0.00 H new ATOM 0 HE22 GLN A 78 13.080 -4.632 -0.183 1.00 0.00 H new ATOM 1245 N TRP A 79 7.971 0.559 -1.841 1.00 0.00 N ATOM 1246 CA TRP A 79 7.805 1.678 -2.750 1.00 0.00 C ATOM 1247 C TRP A 79 8.444 2.929 -2.165 1.00 0.00 C ATOM 1248 O TRP A 79 8.336 3.192 -0.966 1.00 0.00 O ATOM 1249 CB TRP A 79 6.314 1.923 -3.039 1.00 0.00 C ATOM 1250 CG TRP A 79 5.519 2.352 -1.837 1.00 0.00 C ATOM 1251 CD1 TRP A 79 5.146 3.628 -1.514 1.00 0.00 C ATOM 1252 CD2 TRP A 79 5.008 1.509 -0.794 1.00 0.00 C ATOM 1253 NE1 TRP A 79 4.438 3.629 -0.337 1.00 0.00 N ATOM 1254 CE2 TRP A 79 4.341 2.342 0.124 1.00 0.00 C ATOM 1255 CE3 TRP A 79 5.049 0.132 -0.544 1.00 0.00 C ATOM 1256 CZ2 TRP A 79 3.722 1.845 1.269 1.00 0.00 C ATOM 1257 CZ3 TRP A 79 4.435 -0.359 0.594 1.00 0.00 C ATOM 1258 CH2 TRP A 79 3.778 0.496 1.486 1.00 0.00 C ATOM 0 H TRP A 79 7.798 0.782 -0.861 1.00 0.00 H new ATOM 0 HA TRP A 79 8.302 1.438 -3.690 1.00 0.00 H new ATOM 0 HB2 TRP A 79 6.225 2.687 -3.812 1.00 0.00 H new ATOM 0 HB3 TRP A 79 5.878 1.009 -3.443 1.00 0.00 H new ATOM 0 HD1 TRP A 79 5.375 4.506 -2.099 1.00 0.00 H new ATOM 0 HE1 TRP A 79 4.048 4.453 0.120 1.00 0.00 H new ATOM 0 HE3 TRP A 79 5.552 -0.536 -1.228 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 3.216 2.502 1.961 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 4.463 -1.419 0.797 1.00 0.00 H new ATOM 0 HH2 TRP A 79 3.305 0.082 2.364 1.00 0.00 H new ATOM 1269 N TYR A 80 9.138 3.678 -3.004 1.00 0.00 N ATOM 1270 CA TYR A 80 9.704 4.949 -2.588 1.00 0.00 C ATOM 1271 C TYR A 80 9.588 5.971 -3.708 1.00 0.00 C ATOM 1272 O TYR A 80 9.662 5.625 -4.890 1.00 0.00 O ATOM 1273 CB TYR A 80 11.163 4.795 -2.130 1.00 0.00 C ATOM 1274 CG TYR A 80 12.100 4.182 -3.151 1.00 0.00 C ATOM 1275 CD1 TYR A 80 12.158 2.804 -3.335 1.00 0.00 C ATOM 1276 CD2 TYR A 80 12.942 4.979 -3.919 1.00 0.00 C ATOM 1277 CE1 TYR A 80 13.025 2.241 -4.251 1.00 0.00 C ATOM 1278 CE2 TYR A 80 13.810 4.422 -4.839 1.00 0.00 C ATOM 1279 CZ TYR A 80 13.847 3.054 -5.001 1.00 0.00 C ATOM 1280 OH TYR A 80 14.712 2.495 -5.914 1.00 0.00 O ATOM 0 H TYR A 80 9.323 3.429 -3.976 1.00 0.00 H new ATOM 0 HA TYR A 80 9.133 5.307 -1.731 1.00 0.00 H new ATOM 0 HB2 TYR A 80 11.546 5.778 -1.854 1.00 0.00 H new ATOM 0 HB3 TYR A 80 11.181 4.181 -1.230 1.00 0.00 H new ATOM 0 HD1 TYR A 80 11.514 2.163 -2.751 1.00 0.00 H new ATOM 0 HD2 TYR A 80 12.917 6.051 -3.794 1.00 0.00 H new ATOM 0 HE1 TYR A 80 13.059 1.169 -4.379 1.00 0.00 H new ATOM 0 HE2 TYR A 80 14.456 5.056 -5.428 1.00 0.00 H new ATOM 0 HH TYR A 80 15.220 3.204 -6.361 1.00 0.00 H new ATOM 1290 N ALA A 81 9.387 7.223 -3.330 1.00 0.00 N ATOM 1291 CA ALA A 81 9.259 8.301 -4.293 1.00 0.00 C ATOM 1292 C ALA A 81 10.627 8.732 -4.790 1.00 0.00 C ATOM 1293 O ALA A 81 11.567 8.865 -4.003 1.00 0.00 O ATOM 1294 CB ALA A 81 8.527 9.483 -3.672 1.00 0.00 C ATOM 0 H ALA A 81 9.309 7.517 -2.357 1.00 0.00 H new ATOM 0 HA ALA A 81 8.679 7.939 -5.142 1.00 0.00 H new ATOM 0 HB1 ALA A 81 8.439 10.283 -4.407 1.00 0.00 H new ATOM 0 HB2 ALA A 81 7.532 9.170 -3.356 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.085 9.844 -2.808 1.00 0.00 H new ATOM 1300 N VAL A 82 10.741 8.943 -6.090 1.00 0.00 N ATOM 1301 CA VAL A 82 11.984 9.424 -6.662 1.00 0.00 C ATOM 1302 C VAL A 82 12.051 10.937 -6.533 1.00 0.00 C ATOM 1303 O VAL A 82 11.076 11.642 -6.804 1.00 0.00 O ATOM 1304 CB VAL A 82 12.149 8.999 -8.139 1.00 0.00 C ATOM 1305 CG1 VAL A 82 12.268 7.487 -8.240 1.00 0.00 C ATOM 1306 CG2 VAL A 82 10.989 9.500 -8.986 1.00 0.00 C ATOM 0 H VAL A 82 9.992 8.790 -6.765 1.00 0.00 H new ATOM 0 HA VAL A 82 12.806 8.971 -6.108 1.00 0.00 H new ATOM 0 HB VAL A 82 13.064 9.450 -8.523 1.00 0.00 H new ATOM 0 HG11 VAL A 82 12.384 7.200 -9.285 1.00 0.00 H new ATOM 0 HG12 VAL A 82 13.137 7.152 -7.673 1.00 0.00 H new ATOM 0 HG13 VAL A 82 11.369 7.023 -7.834 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.132 9.186 -10.020 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.055 9.085 -8.606 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.948 10.588 -8.939 1.00 0.00 H new