USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 622 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 430 GLN : amide:sc= -2.87! K(o=-4.1!,f=-2.1) USER MOD Set 1.2: A 434 GLN : amide:sc= -1.28 K(o=-4.1,f=-2.1) USER MOD Single : A 372 SER OG : rot 180:sc= 0 USER MOD Single : A 373 SER OG : rot 47:sc= 0.0423 USER MOD Single : A 376 TYR OH : rot -134:sc= 0.776 USER MOD Single : A 377 GLN : amide:sc= -0.141 K(o=-0.14,f=-0.94) USER MOD Single : A 384 LYS NZ :NH3+ -153:sc= -0.476 (180deg=-1.24) USER MOD Single : A 389 SER OG : rot 166:sc= -3.83! USER MOD Single : A 390 GLN : amide:sc= -2.93! C(o=-2.9!,f=-2!) USER MOD Single : A 399 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 401 THR OG1 : rot 180:sc= 0.0613 USER MOD Single : A 402 GLN : amide:sc= -0.628 K(o=-0.63,f=-1.5!) USER MOD Single : A 406 SER OG : rot 30:sc= 1.12 USER MOD Single : A 411 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 416 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 417 THR OG1 : rot 180:sc= 0 USER MOD Single : A 419 SER OG : rot 180:sc= 0 USER MOD Single : A 420 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 421 SER OG : rot 180:sc= 0 USER MOD Single : A 425 ASN : amide:sc= -0.467 K(o=-0.47,f=-1) USER MOD Single : A 429 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 431 ASN : amide:sc= -0.274 X(o=-0.27,f=0.21) USER MOD Single : A 444 TYR OH : rot -39:sc= 0.676 USER MOD Single : A 445 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 44 N VAL A 371 -10.181 7.522 -5.738 1.00 0.00 N ATOM 45 CA VAL A 371 -9.920 6.244 -5.087 1.00 0.00 C ATOM 46 C VAL A 371 -11.065 5.859 -4.156 1.00 0.00 C ATOM 47 O VAL A 371 -11.101 6.276 -2.998 1.00 0.00 O ATOM 48 CB VAL A 371 -8.608 6.278 -4.279 1.00 0.00 C ATOM 49 CG1 VAL A 371 -8.189 4.870 -3.883 1.00 0.00 C ATOM 50 CG2 VAL A 371 -7.504 6.970 -5.070 1.00 0.00 C ATOM 0 HA VAL A 371 -9.830 5.500 -5.879 1.00 0.00 H new ATOM 0 HB VAL A 371 -8.781 6.852 -3.369 1.00 0.00 H new ATOM 0 HG11 VAL A 371 -7.261 4.913 -3.313 1.00 0.00 H new ATOM 0 HG12 VAL A 371 -8.969 4.417 -3.272 1.00 0.00 H new ATOM 0 HG13 VAL A 371 -8.036 4.270 -4.780 1.00 0.00 H new ATOM 0 HG21 VAL A 371 -6.587 6.983 -4.481 1.00 0.00 H new ATOM 0 HG22 VAL A 371 -7.330 6.430 -6.001 1.00 0.00 H new ATOM 0 HG23 VAL A 371 -7.804 7.993 -5.295 1.00 0.00 H new ATOM 60 N SER A 372 -11.996 5.062 -4.669 1.00 0.00 N ATOM 61 CA SER A 372 -13.143 4.622 -3.881 1.00 0.00 C ATOM 62 C SER A 372 -12.697 3.782 -2.688 1.00 0.00 C ATOM 63 O SER A 372 -11.502 3.590 -2.464 1.00 0.00 O ATOM 64 CB SER A 372 -14.108 3.816 -4.754 1.00 0.00 C ATOM 65 OG SER A 372 -14.713 4.635 -5.739 1.00 0.00 O ATOM 0 H SER A 372 -11.980 4.708 -5.625 1.00 0.00 H new ATOM 0 HA SER A 372 -13.655 5.508 -3.506 1.00 0.00 H new ATOM 0 HB2 SER A 372 -13.571 2.999 -5.236 1.00 0.00 H new ATOM 0 HB3 SER A 372 -14.879 3.365 -4.129 1.00 0.00 H new ATOM 0 HG SER A 372 -15.323 4.095 -6.284 1.00 0.00 H new ATOM 71 N SER A 373 -13.665 3.285 -1.925 1.00 0.00 N ATOM 72 CA SER A 373 -13.373 2.467 -0.753 1.00 0.00 C ATOM 73 C SER A 373 -12.749 1.132 -1.157 1.00 0.00 C ATOM 74 O SER A 373 -12.072 0.487 -0.358 1.00 0.00 O ATOM 75 CB SER A 373 -14.649 2.220 0.053 1.00 0.00 C ATOM 76 OG SER A 373 -14.903 3.292 0.946 1.00 0.00 O ATOM 0 H SER A 373 -14.659 3.434 -2.097 1.00 0.00 H new ATOM 0 HA SER A 373 -12.657 3.009 -0.135 1.00 0.00 H new ATOM 0 HB2 SER A 373 -15.494 2.099 -0.625 1.00 0.00 H new ATOM 0 HB3 SER A 373 -14.555 1.290 0.614 1.00 0.00 H new ATOM 0 HG SER A 373 -14.802 4.144 0.472 1.00 0.00 H new ATOM 82 N GLU A 374 -12.984 0.722 -2.402 1.00 0.00 N ATOM 83 CA GLU A 374 -12.446 -0.536 -2.910 1.00 0.00 C ATOM 84 C GLU A 374 -10.945 -0.636 -2.656 1.00 0.00 C ATOM 85 O GLU A 374 -10.399 -1.733 -2.530 1.00 0.00 O ATOM 86 CB GLU A 374 -12.731 -0.666 -4.408 1.00 0.00 C ATOM 87 CG GLU A 374 -14.210 -0.632 -4.751 1.00 0.00 C ATOM 88 CD GLU A 374 -14.460 -0.420 -6.232 1.00 0.00 C ATOM 89 OE1 GLU A 374 -13.989 0.604 -6.773 1.00 0.00 O ATOM 90 OE2 GLU A 374 -15.125 -1.276 -6.851 1.00 0.00 O ATOM 0 H GLU A 374 -13.544 1.244 -3.077 1.00 0.00 H new ATOM 0 HA GLU A 374 -12.937 -1.351 -2.378 1.00 0.00 H new ATOM 0 HB2 GLU A 374 -12.225 0.142 -4.937 1.00 0.00 H new ATOM 0 HB3 GLU A 374 -12.304 -1.601 -4.771 1.00 0.00 H new ATOM 0 HG2 GLU A 374 -14.673 -1.568 -4.438 1.00 0.00 H new ATOM 0 HG3 GLU A 374 -14.692 0.167 -4.187 1.00 0.00 H new ATOM 97 N ILE A 375 -10.282 0.514 -2.579 1.00 0.00 N ATOM 98 CA ILE A 375 -8.846 0.552 -2.337 1.00 0.00 C ATOM 99 C ILE A 375 -8.495 -0.117 -1.011 1.00 0.00 C ATOM 100 O ILE A 375 -7.549 -0.901 -0.932 1.00 0.00 O ATOM 101 CB ILE A 375 -8.316 2.001 -2.332 1.00 0.00 C ATOM 102 CG1 ILE A 375 -6.793 2.015 -2.182 1.00 0.00 C ATOM 103 CG2 ILE A 375 -8.972 2.806 -1.220 1.00 0.00 C ATOM 104 CD1 ILE A 375 -6.059 1.554 -3.423 1.00 0.00 C ATOM 0 H ILE A 375 -10.717 1.431 -2.681 1.00 0.00 H new ATOM 0 HA ILE A 375 -8.371 0.005 -3.151 1.00 0.00 H new ATOM 0 HB ILE A 375 -8.571 2.464 -3.285 1.00 0.00 H new ATOM 0 HG12 ILE A 375 -6.470 3.026 -1.933 1.00 0.00 H new ATOM 0 HG13 ILE A 375 -6.513 1.375 -1.345 1.00 0.00 H new ATOM 0 HG21 ILE A 375 -8.586 3.825 -1.232 1.00 0.00 H new ATOM 0 HG22 ILE A 375 -10.051 2.825 -1.373 1.00 0.00 H new ATOM 0 HG23 ILE A 375 -8.750 2.345 -0.258 1.00 0.00 H new ATOM 0 HD11 ILE A 375 -4.984 1.590 -3.244 1.00 0.00 H new ATOM 0 HD12 ILE A 375 -6.353 0.532 -3.661 1.00 0.00 H new ATOM 0 HD13 ILE A 375 -6.310 2.208 -4.258 1.00 0.00 H new ATOM 116 N TYR A 376 -9.263 0.197 0.026 1.00 0.00 N ATOM 117 CA TYR A 376 -9.035 -0.375 1.348 1.00 0.00 C ATOM 118 C TYR A 376 -9.291 -1.879 1.339 1.00 0.00 C ATOM 119 O TYR A 376 -8.593 -2.642 2.007 1.00 0.00 O ATOM 120 CB TYR A 376 -9.934 0.300 2.384 1.00 0.00 C ATOM 121 CG TYR A 376 -9.729 1.795 2.485 1.00 0.00 C ATOM 122 CD1 TYR A 376 -8.744 2.325 3.308 1.00 0.00 C ATOM 123 CD2 TYR A 376 -10.521 2.674 1.757 1.00 0.00 C ATOM 124 CE1 TYR A 376 -8.553 3.690 3.403 1.00 0.00 C ATOM 125 CE2 TYR A 376 -10.335 4.041 1.847 1.00 0.00 C ATOM 126 CZ TYR A 376 -9.350 4.544 2.671 1.00 0.00 C ATOM 127 OH TYR A 376 -9.164 5.903 2.763 1.00 0.00 O ATOM 0 H TYR A 376 -10.049 0.845 -0.023 1.00 0.00 H new ATOM 0 HA TYR A 376 -7.993 -0.201 1.616 1.00 0.00 H new ATOM 0 HB2 TYR A 376 -10.976 0.101 2.133 1.00 0.00 H new ATOM 0 HB3 TYR A 376 -9.750 -0.150 3.360 1.00 0.00 H new ATOM 0 HD1 TYR A 376 -8.117 1.659 3.883 1.00 0.00 H new ATOM 0 HD2 TYR A 376 -11.294 2.284 1.111 1.00 0.00 H new ATOM 0 HE1 TYR A 376 -7.783 4.086 4.048 1.00 0.00 H new ATOM 0 HE2 TYR A 376 -10.958 4.712 1.275 1.00 0.00 H new ATOM 0 HH TYR A 376 -10.032 6.345 2.874 1.00 0.00 H new ATOM 137 N GLN A 377 -10.296 -2.297 0.576 1.00 0.00 N ATOM 138 CA GLN A 377 -10.644 -3.710 0.481 1.00 0.00 C ATOM 139 C GLN A 377 -9.573 -4.485 -0.279 1.00 0.00 C ATOM 140 O GLN A 377 -9.341 -5.665 -0.016 1.00 0.00 O ATOM 141 CB GLN A 377 -11.999 -3.878 -0.212 1.00 0.00 C ATOM 142 CG GLN A 377 -12.567 -5.283 -0.105 1.00 0.00 C ATOM 143 CD GLN A 377 -13.104 -5.796 -1.426 1.00 0.00 C ATOM 144 OE1 GLN A 377 -13.487 -5.018 -2.299 1.00 0.00 O ATOM 145 NE2 GLN A 377 -13.132 -7.116 -1.581 1.00 0.00 N ATOM 0 H GLN A 377 -10.883 -1.679 0.016 1.00 0.00 H new ATOM 0 HA GLN A 377 -10.708 -4.111 1.493 1.00 0.00 H new ATOM 0 HB2 GLN A 377 -12.709 -3.174 0.222 1.00 0.00 H new ATOM 0 HB3 GLN A 377 -11.894 -3.617 -1.265 1.00 0.00 H new ATOM 0 HG2 GLN A 377 -11.791 -5.958 0.254 1.00 0.00 H new ATOM 0 HG3 GLN A 377 -13.366 -5.293 0.636 1.00 0.00 H new ATOM 0 HE21 GLN A 377 -12.805 -7.725 -0.831 1.00 0.00 H new ATOM 0 HE22 GLN A 377 -13.481 -7.520 -2.450 1.00 0.00 H new ATOM 154 N TRP A 378 -8.921 -3.812 -1.223 1.00 0.00 N ATOM 155 CA TRP A 378 -7.871 -4.438 -2.020 1.00 0.00 C ATOM 156 C TRP A 378 -6.615 -4.661 -1.185 1.00 0.00 C ATOM 157 O TRP A 378 -6.015 -5.735 -1.223 1.00 0.00 O ATOM 158 CB TRP A 378 -7.541 -3.572 -3.238 1.00 0.00 C ATOM 159 CG TRP A 378 -8.717 -3.326 -4.132 1.00 0.00 C ATOM 160 CD1 TRP A 378 -9.830 -4.106 -4.257 1.00 0.00 C ATOM 161 CD2 TRP A 378 -8.897 -2.224 -5.029 1.00 0.00 C ATOM 162 NE1 TRP A 378 -10.690 -3.558 -5.176 1.00 0.00 N ATOM 163 CE2 TRP A 378 -10.140 -2.402 -5.665 1.00 0.00 C ATOM 164 CE3 TRP A 378 -8.126 -1.104 -5.355 1.00 0.00 C ATOM 165 CZ2 TRP A 378 -10.629 -1.500 -6.606 1.00 0.00 C ATOM 166 CZ3 TRP A 378 -8.613 -0.211 -6.291 1.00 0.00 C ATOM 167 CH2 TRP A 378 -9.855 -0.412 -6.907 1.00 0.00 C ATOM 0 H TRP A 378 -9.101 -2.835 -1.454 1.00 0.00 H new ATOM 0 HA TRP A 378 -8.236 -5.407 -2.360 1.00 0.00 H new ATOM 0 HB2 TRP A 378 -7.147 -2.615 -2.897 1.00 0.00 H new ATOM 0 HB3 TRP A 378 -6.751 -4.055 -3.814 1.00 0.00 H new ATOM 0 HD1 TRP A 378 -10.008 -5.021 -3.712 1.00 0.00 H new ATOM 0 HE1 TRP A 378 -11.592 -3.948 -5.450 1.00 0.00 H new ATOM 0 HE3 TRP A 378 -7.168 -0.940 -4.884 1.00 0.00 H new ATOM 0 HZ2 TRP A 378 -11.586 -1.653 -7.082 1.00 0.00 H new ATOM 0 HZ3 TRP A 378 -8.026 0.657 -6.552 1.00 0.00 H new ATOM 0 HH2 TRP A 378 -10.208 0.305 -7.633 1.00 0.00 H new ATOM 178 N VAL A 379 -6.222 -3.638 -0.433 1.00 0.00 N ATOM 179 CA VAL A 379 -5.036 -3.723 0.412 1.00 0.00 C ATOM 180 C VAL A 379 -5.180 -4.833 1.447 1.00 0.00 C ATOM 181 O VAL A 379 -4.199 -5.480 1.817 1.00 0.00 O ATOM 182 CB VAL A 379 -4.766 -2.391 1.136 1.00 0.00 C ATOM 183 CG1 VAL A 379 -3.446 -2.450 1.891 1.00 0.00 C ATOM 184 CG2 VAL A 379 -4.772 -1.231 0.150 1.00 0.00 C ATOM 0 H VAL A 379 -6.707 -2.741 -0.391 1.00 0.00 H new ATOM 0 HA VAL A 379 -4.194 -3.947 -0.243 1.00 0.00 H new ATOM 0 HB VAL A 379 -5.566 -2.226 1.858 1.00 0.00 H new ATOM 0 HG11 VAL A 379 -3.273 -1.500 2.396 1.00 0.00 H new ATOM 0 HG12 VAL A 379 -3.484 -3.251 2.629 1.00 0.00 H new ATOM 0 HG13 VAL A 379 -2.634 -2.641 1.190 1.00 0.00 H new ATOM 0 HG21 VAL A 379 -4.579 -0.300 0.683 1.00 0.00 H new ATOM 0 HG22 VAL A 379 -3.997 -1.387 -0.600 1.00 0.00 H new ATOM 0 HG23 VAL A 379 -5.744 -1.175 -0.339 1.00 0.00 H new ATOM 194 N ARG A 380 -6.405 -5.049 1.911 1.00 0.00 N ATOM 195 CA ARG A 380 -6.676 -6.083 2.905 1.00 0.00 C ATOM 196 C ARG A 380 -6.503 -7.473 2.304 1.00 0.00 C ATOM 197 O ARG A 380 -5.952 -8.372 2.939 1.00 0.00 O ATOM 198 CB ARG A 380 -8.092 -5.927 3.460 1.00 0.00 C ATOM 199 CG ARG A 380 -8.162 -5.071 4.715 1.00 0.00 C ATOM 200 CD ARG A 380 -9.085 -5.682 5.759 1.00 0.00 C ATOM 201 NE ARG A 380 -8.823 -5.158 7.096 1.00 0.00 N ATOM 202 CZ ARG A 380 -7.706 -5.396 7.780 1.00 0.00 C ATOM 203 NH1 ARG A 380 -6.746 -6.148 7.255 1.00 0.00 N ATOM 204 NH2 ARG A 380 -7.547 -4.881 8.991 1.00 0.00 N ATOM 0 H ARG A 380 -7.227 -4.522 1.616 1.00 0.00 H new ATOM 0 HA ARG A 380 -5.960 -5.967 3.719 1.00 0.00 H new ATOM 0 HB2 ARG A 380 -8.728 -5.485 2.693 1.00 0.00 H new ATOM 0 HB3 ARG A 380 -8.498 -6.914 3.680 1.00 0.00 H new ATOM 0 HG2 ARG A 380 -7.162 -4.957 5.134 1.00 0.00 H new ATOM 0 HG3 ARG A 380 -8.515 -4.073 4.456 1.00 0.00 H new ATOM 0 HD2 ARG A 380 -10.122 -5.481 5.488 1.00 0.00 H new ATOM 0 HD3 ARG A 380 -8.960 -6.765 5.763 1.00 0.00 H new ATOM 0 HE ARG A 380 -9.538 -4.575 7.532 1.00 0.00 H new ATOM 0 HH11 ARG A 380 -6.862 -6.546 6.323 1.00 0.00 H new ATOM 0 HH12 ARG A 380 -5.892 -6.327 7.783 1.00 0.00 H new ATOM 0 HH21 ARG A 380 -8.281 -4.302 9.399 1.00 0.00 H new ATOM 0 HH22 ARG A 380 -6.691 -5.064 9.515 1.00 0.00 H new ATOM 218 N ASP A 381 -6.977 -7.644 1.074 1.00 0.00 N ATOM 219 CA ASP A 381 -6.875 -8.926 0.387 1.00 0.00 C ATOM 220 C ASP A 381 -5.467 -9.143 -0.156 1.00 0.00 C ATOM 221 O ASP A 381 -4.951 -10.261 -0.145 1.00 0.00 O ATOM 222 CB ASP A 381 -7.894 -8.998 -0.755 1.00 0.00 C ATOM 223 CG ASP A 381 -8.784 -10.221 -0.657 1.00 0.00 C ATOM 224 OD1 ASP A 381 -9.246 -10.532 0.462 1.00 0.00 O ATOM 225 OD2 ASP A 381 -9.022 -10.868 -1.699 1.00 0.00 O ATOM 0 H ASP A 381 -7.435 -6.911 0.533 1.00 0.00 H new ATOM 0 HA ASP A 381 -7.091 -9.715 1.108 1.00 0.00 H new ATOM 0 HB2 ASP A 381 -8.512 -8.100 -0.744 1.00 0.00 H new ATOM 0 HB3 ASP A 381 -7.367 -9.011 -1.709 1.00 0.00 H new ATOM 230 N GLU A 382 -4.848 -8.067 -0.631 1.00 0.00 N ATOM 231 CA GLU A 382 -3.499 -8.140 -1.177 1.00 0.00 C ATOM 232 C GLU A 382 -2.506 -8.612 -0.118 1.00 0.00 C ATOM 233 O GLU A 382 -1.595 -9.387 -0.408 1.00 0.00 O ATOM 234 CB GLU A 382 -3.070 -6.776 -1.723 1.00 0.00 C ATOM 235 CG GLU A 382 -1.879 -6.843 -2.664 1.00 0.00 C ATOM 236 CD GLU A 382 -2.256 -7.334 -4.048 1.00 0.00 C ATOM 237 OE1 GLU A 382 -3.371 -7.008 -4.510 1.00 0.00 O ATOM 238 OE2 GLU A 382 -1.438 -8.045 -4.670 1.00 0.00 O ATOM 0 H GLU A 382 -5.260 -7.134 -0.648 1.00 0.00 H new ATOM 0 HA GLU A 382 -3.505 -8.864 -1.992 1.00 0.00 H new ATOM 0 HB2 GLU A 382 -3.911 -6.323 -2.248 1.00 0.00 H new ATOM 0 HB3 GLU A 382 -2.825 -6.120 -0.887 1.00 0.00 H new ATOM 0 HG2 GLU A 382 -1.428 -5.854 -2.744 1.00 0.00 H new ATOM 0 HG3 GLU A 382 -1.123 -7.505 -2.241 1.00 0.00 H new ATOM 245 N LEU A 383 -2.691 -8.138 1.110 1.00 0.00 N ATOM 246 CA LEU A 383 -1.813 -8.510 2.213 1.00 0.00 C ATOM 247 C LEU A 383 -2.092 -9.938 2.671 1.00 0.00 C ATOM 248 O LEU A 383 -1.187 -10.646 3.115 1.00 0.00 O ATOM 249 CB LEU A 383 -1.991 -7.543 3.385 1.00 0.00 C ATOM 250 CG LEU A 383 -1.527 -6.110 3.116 1.00 0.00 C ATOM 251 CD1 LEU A 383 -2.200 -5.143 4.077 1.00 0.00 C ATOM 252 CD2 LEU A 383 -0.012 -6.012 3.229 1.00 0.00 C ATOM 0 H LEU A 383 -3.441 -7.496 1.366 1.00 0.00 H new ATOM 0 HA LEU A 383 -0.784 -8.454 1.859 1.00 0.00 H new ATOM 0 HB2 LEU A 383 -3.045 -7.522 3.662 1.00 0.00 H new ATOM 0 HB3 LEU A 383 -1.443 -7.931 4.244 1.00 0.00 H new ATOM 0 HG LEU A 383 -1.814 -5.838 2.100 1.00 0.00 H new ATOM 0 HD11 LEU A 383 -1.858 -4.129 3.871 1.00 0.00 H new ATOM 0 HD12 LEU A 383 -3.281 -5.195 3.948 1.00 0.00 H new ATOM 0 HD13 LEU A 383 -1.944 -5.411 5.102 1.00 0.00 H new ATOM 0 HD21 LEU A 383 0.302 -4.986 3.035 1.00 0.00 H new ATOM 0 HD22 LEU A 383 0.297 -6.302 4.233 1.00 0.00 H new ATOM 0 HD23 LEU A 383 0.451 -6.677 2.500 1.00 0.00 H new ATOM 264 N LYS A 384 -3.349 -10.355 2.561 1.00 0.00 N ATOM 265 CA LYS A 384 -3.747 -11.698 2.964 1.00 0.00 C ATOM 266 C LYS A 384 -3.268 -12.736 1.953 1.00 0.00 C ATOM 267 O LYS A 384 -2.968 -13.874 2.311 1.00 0.00 O ATOM 268 CB LYS A 384 -5.267 -11.780 3.114 1.00 0.00 C ATOM 269 CG LYS A 384 -5.729 -12.885 4.048 1.00 0.00 C ATOM 270 CD LYS A 384 -5.742 -12.421 5.496 1.00 0.00 C ATOM 271 CE LYS A 384 -4.369 -12.553 6.137 1.00 0.00 C ATOM 272 NZ LYS A 384 -3.685 -11.236 6.261 1.00 0.00 N ATOM 0 H LYS A 384 -4.110 -9.782 2.196 1.00 0.00 H new ATOM 0 HA LYS A 384 -3.282 -11.913 3.926 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -5.639 -10.824 3.484 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -5.712 -11.937 2.132 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -6.728 -13.212 3.761 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -5.070 -13.747 3.947 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -6.068 -11.382 5.543 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -6.466 -13.008 6.061 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -4.471 -13.003 7.124 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -3.754 -13.227 5.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -2.655 -11.378 6.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -3.955 -10.628 5.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -3.967 -10.781 7.153 1.00 0.00 H new ATOM 286 N ARG A 385 -3.199 -12.332 0.688 1.00 0.00 N ATOM 287 CA ARG A 385 -2.757 -13.226 -0.376 1.00 0.00 C ATOM 288 C ARG A 385 -1.238 -13.368 -0.372 1.00 0.00 C ATOM 289 O ARG A 385 -0.707 -14.461 -0.172 1.00 0.00 O ATOM 290 CB ARG A 385 -3.229 -12.708 -1.735 1.00 0.00 C ATOM 291 CG ARG A 385 -4.648 -13.125 -2.088 1.00 0.00 C ATOM 292 CD ARG A 385 -4.724 -14.608 -2.421 1.00 0.00 C ATOM 293 NE ARG A 385 -6.098 -15.103 -2.400 1.00 0.00 N ATOM 294 CZ ARG A 385 -6.979 -14.886 -3.374 1.00 0.00 C ATOM 295 NH1 ARG A 385 -6.634 -14.183 -4.446 1.00 0.00 N ATOM 296 NH2 ARG A 385 -8.209 -15.372 -3.277 1.00 0.00 N ATOM 0 H ARG A 385 -3.443 -11.392 0.375 1.00 0.00 H new ATOM 0 HA ARG A 385 -3.196 -14.208 -0.197 1.00 0.00 H new ATOM 0 HB2 ARG A 385 -3.167 -11.620 -1.741 1.00 0.00 H new ATOM 0 HB3 ARG A 385 -2.550 -13.070 -2.508 1.00 0.00 H new ATOM 0 HG2 ARG A 385 -5.312 -12.904 -1.253 1.00 0.00 H new ATOM 0 HG3 ARG A 385 -5.000 -12.541 -2.939 1.00 0.00 H new ATOM 0 HD2 ARG A 385 -4.291 -14.781 -3.406 1.00 0.00 H new ATOM 0 HD3 ARG A 385 -4.125 -15.171 -1.706 1.00 0.00 H new ATOM 0 HE ARG A 385 -6.400 -15.647 -1.592 1.00 0.00 H new ATOM 0 HH11 ARG A 385 -5.690 -13.806 -4.526 1.00 0.00 H new ATOM 0 HH12 ARG A 385 -7.313 -14.020 -5.189 1.00 0.00 H new ATOM 0 HH21 ARG A 385 -8.481 -15.912 -2.456 1.00 0.00 H new ATOM 0 HH22 ARG A 385 -8.884 -15.205 -4.024 1.00 0.00 H new ATOM 310 N ALA A 386 -0.544 -12.256 -0.593 1.00 0.00 N ATOM 311 CA ALA A 386 0.913 -12.257 -0.615 1.00 0.00 C ATOM 312 C ALA A 386 1.482 -12.715 0.723 1.00 0.00 C ATOM 313 O ALA A 386 2.485 -13.428 0.771 1.00 0.00 O ATOM 314 CB ALA A 386 1.435 -10.871 -0.967 1.00 0.00 C ATOM 0 H ALA A 386 -0.968 -11.343 -0.759 1.00 0.00 H new ATOM 0 HA ALA A 386 1.241 -12.962 -1.379 1.00 0.00 H new ATOM 0 HB1 ALA A 386 2.525 -10.885 -0.980 1.00 0.00 H new ATOM 0 HB2 ALA A 386 1.064 -10.581 -1.950 1.00 0.00 H new ATOM 0 HB3 ALA A 386 1.090 -10.153 -0.223 1.00 0.00 H new ATOM 320 N GLY A 387 0.838 -12.299 1.808 1.00 0.00 N ATOM 321 CA GLY A 387 1.295 -12.678 3.132 1.00 0.00 C ATOM 322 C GLY A 387 2.604 -12.010 3.506 1.00 0.00 C ATOM 323 O GLY A 387 3.621 -12.680 3.689 1.00 0.00 O ATOM 0 H GLY A 387 0.008 -11.706 1.794 1.00 0.00 H new ATOM 0 HA2 GLY A 387 0.533 -12.414 3.866 1.00 0.00 H new ATOM 0 HA3 GLY A 387 1.417 -13.760 3.175 1.00 0.00 H new ATOM 327 N ILE A 388 2.579 -10.685 3.619 1.00 0.00 N ATOM 328 CA ILE A 388 3.771 -9.926 3.974 1.00 0.00 C ATOM 329 C ILE A 388 3.478 -8.931 5.091 1.00 0.00 C ATOM 330 O ILE A 388 2.330 -8.534 5.296 1.00 0.00 O ATOM 331 CB ILE A 388 4.336 -9.166 2.759 1.00 0.00 C ATOM 332 CG1 ILE A 388 3.234 -8.342 2.090 1.00 0.00 C ATOM 333 CG2 ILE A 388 4.957 -10.137 1.767 1.00 0.00 C ATOM 334 CD1 ILE A 388 3.743 -7.427 0.997 1.00 0.00 C ATOM 0 H ILE A 388 1.746 -10.116 3.470 1.00 0.00 H new ATOM 0 HA ILE A 388 4.513 -10.646 4.319 1.00 0.00 H new ATOM 0 HB ILE A 388 5.114 -8.485 3.104 1.00 0.00 H new ATOM 0 HG12 ILE A 388 2.490 -9.019 1.669 1.00 0.00 H new ATOM 0 HG13 ILE A 388 2.728 -7.743 2.848 1.00 0.00 H new ATOM 0 HG21 ILE A 388 5.351 -9.584 0.915 1.00 0.00 H new ATOM 0 HG22 ILE A 388 5.767 -10.683 2.251 1.00 0.00 H new ATOM 0 HG23 ILE A 388 4.199 -10.841 1.423 1.00 0.00 H new ATOM 0 HD11 ILE A 388 2.908 -6.874 0.567 1.00 0.00 H new ATOM 0 HD12 ILE A 388 4.465 -6.726 1.416 1.00 0.00 H new ATOM 0 HD13 ILE A 388 4.223 -8.021 0.219 1.00 0.00 H new ATOM 346 N SER A 389 4.521 -8.531 5.809 1.00 0.00 N ATOM 347 CA SER A 389 4.375 -7.581 6.907 1.00 0.00 C ATOM 348 C SER A 389 3.918 -6.220 6.391 1.00 0.00 C ATOM 349 O SER A 389 4.115 -5.889 5.222 1.00 0.00 O ATOM 350 CB SER A 389 5.696 -7.435 7.661 1.00 0.00 C ATOM 351 OG SER A 389 6.792 -7.359 6.765 1.00 0.00 O ATOM 0 H SER A 389 5.477 -8.849 5.651 1.00 0.00 H new ATOM 0 HA SER A 389 3.616 -7.965 7.589 1.00 0.00 H new ATOM 0 HB2 SER A 389 5.667 -6.539 8.281 1.00 0.00 H new ATOM 0 HB3 SER A 389 5.830 -8.283 8.333 1.00 0.00 H new ATOM 0 HG SER A 389 7.586 -7.044 7.245 1.00 0.00 H new ATOM 357 N GLN A 390 3.307 -5.435 7.272 1.00 0.00 N ATOM 358 CA GLN A 390 2.822 -4.109 6.907 1.00 0.00 C ATOM 359 C GLN A 390 3.985 -3.165 6.620 1.00 0.00 C ATOM 360 O GLN A 390 3.893 -2.296 5.754 1.00 0.00 O ATOM 361 CB GLN A 390 1.946 -3.538 8.025 1.00 0.00 C ATOM 362 CG GLN A 390 0.634 -2.951 7.530 1.00 0.00 C ATOM 363 CD GLN A 390 -0.559 -3.432 8.334 1.00 0.00 C ATOM 364 OE1 GLN A 390 -0.801 -4.634 8.451 1.00 0.00 O ATOM 365 NE2 GLN A 390 -1.315 -2.492 8.891 1.00 0.00 N ATOM 0 H GLN A 390 3.136 -5.694 8.244 1.00 0.00 H new ATOM 0 HA GLN A 390 2.224 -4.204 6.001 1.00 0.00 H new ATOM 0 HB2 GLN A 390 1.732 -4.327 8.747 1.00 0.00 H new ATOM 0 HB3 GLN A 390 2.504 -2.765 8.554 1.00 0.00 H new ATOM 0 HG2 GLN A 390 0.686 -1.863 7.578 1.00 0.00 H new ATOM 0 HG3 GLN A 390 0.493 -3.217 6.482 1.00 0.00 H new ATOM 0 HE21 GLN A 390 -1.078 -1.508 8.768 1.00 0.00 H new ATOM 0 HE22 GLN A 390 -2.133 -2.755 9.441 1.00 0.00 H new ATOM 374 N ALA A 391 5.080 -3.341 7.352 1.00 0.00 N ATOM 375 CA ALA A 391 6.261 -2.506 7.176 1.00 0.00 C ATOM 376 C ALA A 391 6.803 -2.614 5.755 1.00 0.00 C ATOM 377 O ALA A 391 7.375 -1.662 5.224 1.00 0.00 O ATOM 378 CB ALA A 391 7.335 -2.892 8.184 1.00 0.00 C ATOM 0 H ALA A 391 5.173 -4.056 8.074 1.00 0.00 H new ATOM 0 HA ALA A 391 5.972 -1.469 7.348 1.00 0.00 H new ATOM 0 HB1 ALA A 391 8.212 -2.260 8.041 1.00 0.00 H new ATOM 0 HB2 ALA A 391 6.951 -2.756 9.195 1.00 0.00 H new ATOM 0 HB3 ALA A 391 7.612 -3.936 8.038 1.00 0.00 H new ATOM 384 N VAL A 392 6.619 -3.779 5.144 1.00 0.00 N ATOM 385 CA VAL A 392 7.090 -4.012 3.784 1.00 0.00 C ATOM 386 C VAL A 392 6.169 -3.351 2.764 1.00 0.00 C ATOM 387 O VAL A 392 6.624 -2.621 1.883 1.00 0.00 O ATOM 388 CB VAL A 392 7.186 -5.518 3.471 1.00 0.00 C ATOM 389 CG1 VAL A 392 7.821 -5.743 2.107 1.00 0.00 C ATOM 390 CG2 VAL A 392 7.968 -6.243 4.556 1.00 0.00 C ATOM 0 H VAL A 392 6.147 -4.577 5.569 1.00 0.00 H new ATOM 0 HA VAL A 392 8.084 -3.571 3.714 1.00 0.00 H new ATOM 0 HB VAL A 392 6.176 -5.928 3.448 1.00 0.00 H new ATOM 0 HG11 VAL A 392 7.880 -6.812 1.905 1.00 0.00 H new ATOM 0 HG12 VAL A 392 7.215 -5.261 1.340 1.00 0.00 H new ATOM 0 HG13 VAL A 392 8.824 -5.316 2.098 1.00 0.00 H new ATOM 0 HG21 VAL A 392 8.024 -7.305 4.316 1.00 0.00 H new ATOM 0 HG22 VAL A 392 8.975 -5.831 4.616 1.00 0.00 H new ATOM 0 HG23 VAL A 392 7.466 -6.114 5.515 1.00 0.00 H new ATOM 400 N PHE A 393 4.872 -3.611 2.889 1.00 0.00 N ATOM 401 CA PHE A 393 3.886 -3.041 1.978 1.00 0.00 C ATOM 402 C PHE A 393 3.832 -1.523 2.112 1.00 0.00 C ATOM 403 O PHE A 393 3.677 -0.808 1.122 1.00 0.00 O ATOM 404 CB PHE A 393 2.505 -3.638 2.251 1.00 0.00 C ATOM 405 CG PHE A 393 1.467 -3.235 1.242 1.00 0.00 C ATOM 406 CD1 PHE A 393 0.949 -1.949 1.238 1.00 0.00 C ATOM 407 CD2 PHE A 393 1.008 -4.142 0.300 1.00 0.00 C ATOM 408 CE1 PHE A 393 -0.007 -1.576 0.313 1.00 0.00 C ATOM 409 CE2 PHE A 393 0.053 -3.773 -0.628 1.00 0.00 C ATOM 410 CZ PHE A 393 -0.454 -2.489 -0.623 1.00 0.00 C ATOM 0 H PHE A 393 4.479 -4.213 3.613 1.00 0.00 H new ATOM 0 HA PHE A 393 4.186 -3.286 0.959 1.00 0.00 H new ATOM 0 HB2 PHE A 393 2.584 -4.725 2.264 1.00 0.00 H new ATOM 0 HB3 PHE A 393 2.175 -3.330 3.243 1.00 0.00 H new ATOM 0 HD1 PHE A 393 1.297 -1.231 1.966 1.00 0.00 H new ATOM 0 HD2 PHE A 393 1.401 -5.148 0.291 1.00 0.00 H new ATOM 0 HE1 PHE A 393 -0.405 -0.572 0.321 1.00 0.00 H new ATOM 0 HE2 PHE A 393 -0.297 -4.489 -1.357 1.00 0.00 H new ATOM 0 HZ PHE A 393 -1.199 -2.199 -1.349 1.00 0.00 H new ATOM 420 N ALA A 394 3.962 -1.037 3.342 1.00 0.00 N ATOM 421 CA ALA A 394 3.928 0.397 3.602 1.00 0.00 C ATOM 422 C ALA A 394 5.136 1.096 2.990 1.00 0.00 C ATOM 423 O ALA A 394 5.015 2.175 2.412 1.00 0.00 O ATOM 424 CB ALA A 394 3.866 0.660 5.100 1.00 0.00 C ATOM 0 H ALA A 394 4.092 -1.614 4.173 1.00 0.00 H new ATOM 0 HA ALA A 394 3.031 0.804 3.135 1.00 0.00 H new ATOM 0 HB1 ALA A 394 3.841 1.735 5.280 1.00 0.00 H new ATOM 0 HB2 ALA A 394 2.967 0.202 5.513 1.00 0.00 H new ATOM 0 HB3 ALA A 394 4.745 0.232 5.581 1.00 0.00 H new ATOM 430 N ARG A 395 6.303 0.472 3.120 1.00 0.00 N ATOM 431 CA ARG A 395 7.533 1.034 2.577 1.00 0.00 C ATOM 432 C ARG A 395 7.497 1.047 1.052 1.00 0.00 C ATOM 433 O ARG A 395 7.810 2.057 0.423 1.00 0.00 O ATOM 434 CB ARG A 395 8.742 0.232 3.061 1.00 0.00 C ATOM 435 CG ARG A 395 10.067 0.951 2.865 1.00 0.00 C ATOM 436 CD ARG A 395 10.765 0.501 1.591 1.00 0.00 C ATOM 437 NE ARG A 395 12.195 0.286 1.797 1.00 0.00 N ATOM 438 CZ ARG A 395 12.967 -0.415 0.969 1.00 0.00 C ATOM 439 NH1 ARG A 395 12.451 -0.969 -0.121 1.00 0.00 N ATOM 440 NH2 ARG A 395 14.259 -0.562 1.232 1.00 0.00 N ATOM 0 H ARG A 395 6.422 -0.422 3.596 1.00 0.00 H new ATOM 0 HA ARG A 395 7.621 2.061 2.931 1.00 0.00 H new ATOM 0 HB2 ARG A 395 8.616 0.003 4.119 1.00 0.00 H new ATOM 0 HB3 ARG A 395 8.772 -0.720 2.530 1.00 0.00 H new ATOM 0 HG2 ARG A 395 9.896 2.027 2.826 1.00 0.00 H new ATOM 0 HG3 ARG A 395 10.714 0.762 3.721 1.00 0.00 H new ATOM 0 HD2 ARG A 395 10.308 -0.422 1.234 1.00 0.00 H new ATOM 0 HD3 ARG A 395 10.619 1.251 0.814 1.00 0.00 H new ATOM 0 HE ARG A 395 12.628 0.697 2.624 1.00 0.00 H new ATOM 0 HH11 ARG A 395 11.458 -0.859 -0.328 1.00 0.00 H new ATOM 0 HH12 ARG A 395 13.047 -1.505 -0.752 1.00 0.00 H new ATOM 0 HH21 ARG A 395 14.661 -0.138 2.068 1.00 0.00 H new ATOM 0 HH22 ARG A 395 14.851 -1.099 0.598 1.00 0.00 H new ATOM 454 N VAL A 396 7.111 -0.081 0.465 1.00 0.00 N ATOM 455 CA VAL A 396 7.032 -0.200 -0.986 1.00 0.00 C ATOM 456 C VAL A 396 5.891 0.643 -1.547 1.00 0.00 C ATOM 457 O VAL A 396 6.016 1.243 -2.614 1.00 0.00 O ATOM 458 CB VAL A 396 6.838 -1.665 -1.421 1.00 0.00 C ATOM 459 CG1 VAL A 396 8.029 -2.510 -0.999 1.00 0.00 C ATOM 460 CG2 VAL A 396 5.546 -2.229 -0.846 1.00 0.00 C ATOM 0 H VAL A 396 6.848 -0.926 0.972 1.00 0.00 H new ATOM 0 HA VAL A 396 7.978 0.166 -1.384 1.00 0.00 H new ATOM 0 HB VAL A 396 6.767 -1.694 -2.508 1.00 0.00 H new ATOM 0 HG11 VAL A 396 7.873 -3.542 -1.315 1.00 0.00 H new ATOM 0 HG12 VAL A 396 8.935 -2.121 -1.464 1.00 0.00 H new ATOM 0 HG13 VAL A 396 8.134 -2.475 0.085 1.00 0.00 H new ATOM 0 HG21 VAL A 396 5.427 -3.265 -1.165 1.00 0.00 H new ATOM 0 HG22 VAL A 396 5.583 -2.186 0.243 1.00 0.00 H new ATOM 0 HG23 VAL A 396 4.701 -1.640 -1.203 1.00 0.00 H new ATOM 470 N ALA A 397 4.779 0.682 -0.821 1.00 0.00 N ATOM 471 CA ALA A 397 3.615 1.450 -1.246 1.00 0.00 C ATOM 472 C ALA A 397 3.860 2.948 -1.098 1.00 0.00 C ATOM 473 O ALA A 397 4.004 3.664 -2.089 1.00 0.00 O ATOM 474 CB ALA A 397 2.388 1.034 -0.449 1.00 0.00 C ATOM 0 H ALA A 397 4.659 0.191 0.065 1.00 0.00 H new ATOM 0 HA ALA A 397 3.439 1.240 -2.301 1.00 0.00 H new ATOM 0 HB1 ALA A 397 1.527 1.616 -0.777 1.00 0.00 H new ATOM 0 HB2 ALA A 397 2.192 -0.026 -0.609 1.00 0.00 H new ATOM 0 HB3 ALA A 397 2.565 1.214 0.611 1.00 0.00 H new ATOM 480 N PHE A 398 3.907 3.416 0.146 1.00 0.00 N ATOM 481 CA PHE A 398 4.132 4.828 0.422 1.00 0.00 C ATOM 482 C PHE A 398 5.166 5.007 1.530 1.00 0.00 C ATOM 483 O PHE A 398 4.923 4.649 2.683 1.00 0.00 O ATOM 484 CB PHE A 398 2.821 5.507 0.820 1.00 0.00 C ATOM 485 CG PHE A 398 2.150 4.867 2.002 1.00 0.00 C ATOM 486 CD1 PHE A 398 1.488 3.656 1.868 1.00 0.00 C ATOM 487 CD2 PHE A 398 2.182 5.475 3.247 1.00 0.00 C ATOM 488 CE1 PHE A 398 0.872 3.064 2.955 1.00 0.00 C ATOM 489 CE2 PHE A 398 1.567 4.888 4.336 1.00 0.00 C ATOM 490 CZ PHE A 398 0.911 3.681 4.189 1.00 0.00 C ATOM 0 H PHE A 398 3.792 2.837 0.978 1.00 0.00 H new ATOM 0 HA PHE A 398 4.513 5.294 -0.487 1.00 0.00 H new ATOM 0 HB2 PHE A 398 3.018 6.555 1.047 1.00 0.00 H new ATOM 0 HB3 PHE A 398 2.138 5.488 -0.030 1.00 0.00 H new ATOM 0 HD1 PHE A 398 1.453 3.170 0.904 1.00 0.00 H new ATOM 0 HD2 PHE A 398 2.694 6.419 3.367 1.00 0.00 H new ATOM 0 HE1 PHE A 398 0.361 2.120 2.839 1.00 0.00 H new ATOM 0 HE2 PHE A 398 1.599 5.372 5.301 1.00 0.00 H new ATOM 0 HZ PHE A 398 0.429 3.221 5.039 1.00 0.00 H new ATOM 500 N ASN A 399 6.320 5.563 1.173 1.00 0.00 N ATOM 501 CA ASN A 399 7.390 5.788 2.139 1.00 0.00 C ATOM 502 C ASN A 399 6.925 6.714 3.259 1.00 0.00 C ATOM 503 O ASN A 399 6.949 7.937 3.118 1.00 0.00 O ATOM 504 CB ASN A 399 8.615 6.384 1.444 1.00 0.00 C ATOM 505 CG ASN A 399 9.892 6.162 2.232 1.00 0.00 C ATOM 506 OD1 ASN A 399 9.857 5.711 3.376 1.00 0.00 O ATOM 507 ND2 ASN A 399 11.026 6.480 1.621 1.00 0.00 N ATOM 0 H ASN A 399 6.538 5.866 0.224 1.00 0.00 H new ATOM 0 HA ASN A 399 7.661 4.827 2.576 1.00 0.00 H new ATOM 0 HB2 ASN A 399 8.720 5.939 0.454 1.00 0.00 H new ATOM 0 HB3 ASN A 399 8.462 7.453 1.298 1.00 0.00 H new ATOM 0 HD21 ASN A 399 11.917 6.353 2.101 1.00 0.00 H new ATOM 0 HD22 ASN A 399 11.007 6.851 0.671 1.00 0.00 H new ATOM 514 N ARG A 400 6.503 6.121 4.371 1.00 0.00 N ATOM 515 CA ARG A 400 6.032 6.891 5.516 1.00 0.00 C ATOM 516 C ARG A 400 6.355 6.170 6.823 1.00 0.00 C ATOM 517 O ARG A 400 6.918 5.077 6.817 1.00 0.00 O ATOM 518 CB ARG A 400 4.526 7.133 5.409 1.00 0.00 C ATOM 519 CG ARG A 400 4.166 8.440 4.720 1.00 0.00 C ATOM 520 CD ARG A 400 3.893 9.545 5.728 1.00 0.00 C ATOM 521 NE ARG A 400 3.920 10.869 5.108 1.00 0.00 N ATOM 522 CZ ARG A 400 3.931 12.009 5.796 1.00 0.00 C ATOM 523 NH1 ARG A 400 3.918 11.991 7.123 1.00 0.00 N ATOM 524 NH2 ARG A 400 3.957 13.169 5.155 1.00 0.00 N ATOM 0 H ARG A 400 6.478 5.110 4.503 1.00 0.00 H new ATOM 0 HA ARG A 400 6.546 7.852 5.515 1.00 0.00 H new ATOM 0 HB2 ARG A 400 4.072 6.307 4.862 1.00 0.00 H new ATOM 0 HB3 ARG A 400 4.094 7.129 6.410 1.00 0.00 H new ATOM 0 HG2 ARG A 400 4.980 8.741 4.060 1.00 0.00 H new ATOM 0 HG3 ARG A 400 3.286 8.292 4.094 1.00 0.00 H new ATOM 0 HD2 ARG A 400 2.920 9.381 6.191 1.00 0.00 H new ATOM 0 HD3 ARG A 400 4.636 9.502 6.524 1.00 0.00 H new ATOM 0 HE ARG A 400 3.931 10.922 4.089 1.00 0.00 H new ATOM 0 HH11 ARG A 400 3.900 11.101 7.621 1.00 0.00 H new ATOM 0 HH12 ARG A 400 3.927 12.867 7.645 1.00 0.00 H new ATOM 0 HH21 ARG A 400 3.969 13.188 4.135 1.00 0.00 H new ATOM 0 HH22 ARG A 400 3.965 14.043 5.682 1.00 0.00 H new ATOM 538 N THR A 401 5.993 6.792 7.940 1.00 0.00 N ATOM 539 CA THR A 401 6.244 6.209 9.253 1.00 0.00 C ATOM 540 C THR A 401 5.357 4.991 9.492 1.00 0.00 C ATOM 541 O THR A 401 4.252 4.901 8.957 1.00 0.00 O ATOM 542 CB THR A 401 6.005 7.233 10.379 1.00 0.00 C ATOM 543 OG1 THR A 401 5.000 8.173 9.980 1.00 0.00 O ATOM 544 CG2 THR A 401 7.290 7.972 10.721 1.00 0.00 C ATOM 0 H THR A 401 5.526 7.698 7.963 1.00 0.00 H new ATOM 0 HA THR A 401 7.290 5.903 9.268 1.00 0.00 H new ATOM 0 HB THR A 401 5.668 6.694 11.265 1.00 0.00 H new ATOM 0 HG1 THR A 401 4.852 8.820 10.701 1.00 0.00 H new ATOM 0 HG21 THR A 401 7.096 8.689 11.518 1.00 0.00 H new ATOM 0 HG22 THR A 401 8.044 7.257 11.051 1.00 0.00 H new ATOM 0 HG23 THR A 401 7.652 8.500 9.839 1.00 0.00 H new ATOM 552 N GLN A 402 5.850 4.057 10.298 1.00 0.00 N ATOM 553 CA GLN A 402 5.103 2.844 10.607 1.00 0.00 C ATOM 554 C GLN A 402 3.870 3.162 11.449 1.00 0.00 C ATOM 555 O GLN A 402 3.870 4.112 12.232 1.00 0.00 O ATOM 556 CB GLN A 402 5.993 1.844 11.346 1.00 0.00 C ATOM 557 CG GLN A 402 6.845 0.989 10.422 1.00 0.00 C ATOM 558 CD GLN A 402 6.915 -0.459 10.865 1.00 0.00 C ATOM 559 OE1 GLN A 402 5.988 -1.236 10.633 1.00 0.00 O ATOM 560 NE2 GLN A 402 8.016 -0.828 11.508 1.00 0.00 N ATOM 0 H GLN A 402 6.763 4.117 10.749 1.00 0.00 H new ATOM 0 HA GLN A 402 4.775 2.402 9.666 1.00 0.00 H new ATOM 0 HB2 GLN A 402 6.646 2.387 12.029 1.00 0.00 H new ATOM 0 HB3 GLN A 402 5.366 1.193 11.955 1.00 0.00 H new ATOM 0 HG2 GLN A 402 6.438 1.036 9.412 1.00 0.00 H new ATOM 0 HG3 GLN A 402 7.853 1.401 10.379 1.00 0.00 H new ATOM 0 HE21 GLN A 402 8.759 -0.150 11.678 1.00 0.00 H new ATOM 0 HE22 GLN A 402 8.119 -1.790 11.832 1.00 0.00 H new ATOM 569 N GLY A 403 2.822 2.363 11.281 1.00 0.00 N ATOM 570 CA GLY A 403 1.598 2.577 12.032 1.00 0.00 C ATOM 571 C GLY A 403 0.571 3.375 11.254 1.00 0.00 C ATOM 572 O GLY A 403 -0.633 3.231 11.474 1.00 0.00 O ATOM 0 H GLY A 403 2.798 1.571 10.639 1.00 0.00 H new ATOM 0 HA2 GLY A 403 1.171 1.613 12.307 1.00 0.00 H new ATOM 0 HA3 GLY A 403 1.832 3.099 12.960 1.00 0.00 H new ATOM 576 N LEU A 404 1.045 4.218 10.342 1.00 0.00 N ATOM 577 CA LEU A 404 0.157 5.041 9.528 1.00 0.00 C ATOM 578 C LEU A 404 -0.773 4.174 8.687 1.00 0.00 C ATOM 579 O LEU A 404 -1.923 4.537 8.441 1.00 0.00 O ATOM 580 CB LEU A 404 0.972 5.963 8.620 1.00 0.00 C ATOM 581 CG LEU A 404 0.204 7.156 8.050 1.00 0.00 C ATOM 582 CD1 LEU A 404 0.168 8.297 9.054 1.00 0.00 C ATOM 583 CD2 LEU A 404 0.830 7.615 6.741 1.00 0.00 C ATOM 0 H LEU A 404 2.038 4.349 10.148 1.00 0.00 H new ATOM 0 HA LEU A 404 -0.451 5.647 10.200 1.00 0.00 H new ATOM 0 HB2 LEU A 404 1.828 6.337 9.182 1.00 0.00 H new ATOM 0 HB3 LEU A 404 1.367 5.375 7.791 1.00 0.00 H new ATOM 0 HG LEU A 404 -0.821 6.843 7.851 1.00 0.00 H new ATOM 0 HD11 LEU A 404 -0.383 9.137 8.631 1.00 0.00 H new ATOM 0 HD12 LEU A 404 -0.325 7.963 9.967 1.00 0.00 H new ATOM 0 HD13 LEU A 404 1.186 8.610 9.285 1.00 0.00 H new ATOM 0 HD21 LEU A 404 0.271 8.465 6.349 1.00 0.00 H new ATOM 0 HD22 LEU A 404 1.864 7.911 6.916 1.00 0.00 H new ATOM 0 HD23 LEU A 404 0.803 6.799 6.019 1.00 0.00 H new ATOM 595 N LEU A 405 -0.268 3.024 8.250 1.00 0.00 N ATOM 596 CA LEU A 405 -1.054 2.105 7.436 1.00 0.00 C ATOM 597 C LEU A 405 -2.304 1.650 8.183 1.00 0.00 C ATOM 598 O LEU A 405 -3.414 1.712 7.653 1.00 0.00 O ATOM 599 CB LEU A 405 -0.211 0.890 7.043 1.00 0.00 C ATOM 600 CG LEU A 405 -0.706 0.129 5.812 1.00 0.00 C ATOM 601 CD1 LEU A 405 0.456 -0.528 5.087 1.00 0.00 C ATOM 602 CD2 LEU A 405 -1.743 -0.910 6.212 1.00 0.00 C ATOM 0 H LEU A 405 0.682 2.707 8.446 1.00 0.00 H new ATOM 0 HA LEU A 405 -1.363 2.632 6.533 1.00 0.00 H new ATOM 0 HB2 LEU A 405 0.812 1.220 6.860 1.00 0.00 H new ATOM 0 HB3 LEU A 405 -0.177 0.202 7.888 1.00 0.00 H new ATOM 0 HG LEU A 405 -1.175 0.840 5.132 1.00 0.00 H new ATOM 0 HD11 LEU A 405 0.084 -1.065 4.214 1.00 0.00 H new ATOM 0 HD12 LEU A 405 1.165 0.236 4.768 1.00 0.00 H new ATOM 0 HD13 LEU A 405 0.954 -1.228 5.758 1.00 0.00 H new ATOM 0 HD21 LEU A 405 -2.085 -1.443 5.325 1.00 0.00 H new ATOM 0 HD22 LEU A 405 -1.298 -1.618 6.911 1.00 0.00 H new ATOM 0 HD23 LEU A 405 -2.590 -0.415 6.687 1.00 0.00 H new ATOM 614 N SER A 406 -2.117 1.191 9.416 1.00 0.00 N ATOM 615 CA SER A 406 -3.229 0.724 10.235 1.00 0.00 C ATOM 616 C SER A 406 -4.243 1.842 10.463 1.00 0.00 C ATOM 617 O SER A 406 -5.440 1.587 10.605 1.00 0.00 O ATOM 618 CB SER A 406 -2.717 0.204 11.579 1.00 0.00 C ATOM 619 OG SER A 406 -1.657 1.008 12.068 1.00 0.00 O ATOM 0 H SER A 406 -1.205 1.133 9.870 1.00 0.00 H new ATOM 0 HA SER A 406 -3.723 -0.089 9.703 1.00 0.00 H new ATOM 0 HB2 SER A 406 -3.532 0.193 12.302 1.00 0.00 H new ATOM 0 HB3 SER A 406 -2.375 -0.825 11.468 1.00 0.00 H new ATOM 0 HG SER A 406 -1.772 1.929 11.753 1.00 0.00 H new ATOM 625 N GLU A 407 -3.757 3.077 10.494 1.00 0.00 N ATOM 626 CA GLU A 407 -4.621 4.232 10.703 1.00 0.00 C ATOM 627 C GLU A 407 -5.486 4.496 9.474 1.00 0.00 C ATOM 628 O GLU A 407 -6.624 4.950 9.589 1.00 0.00 O ATOM 629 CB GLU A 407 -3.784 5.472 11.027 1.00 0.00 C ATOM 630 CG GLU A 407 -4.413 6.374 12.076 1.00 0.00 C ATOM 631 CD GLU A 407 -3.393 7.236 12.792 1.00 0.00 C ATOM 632 OE1 GLU A 407 -2.554 7.859 12.106 1.00 0.00 O ATOM 633 OE2 GLU A 407 -3.430 7.288 14.039 1.00 0.00 O ATOM 0 H GLU A 407 -2.770 3.304 10.377 1.00 0.00 H new ATOM 0 HA GLU A 407 -5.276 4.014 11.546 1.00 0.00 H new ATOM 0 HB2 GLU A 407 -2.801 5.156 11.375 1.00 0.00 H new ATOM 0 HB3 GLU A 407 -3.630 6.045 10.113 1.00 0.00 H new ATOM 0 HG2 GLU A 407 -5.155 7.015 11.600 1.00 0.00 H new ATOM 0 HG3 GLU A 407 -4.942 5.762 12.806 1.00 0.00 H new ATOM 640 N ILE A 408 -4.938 4.208 8.299 1.00 0.00 N ATOM 641 CA ILE A 408 -5.660 4.413 7.048 1.00 0.00 C ATOM 642 C ILE A 408 -6.685 3.308 6.820 1.00 0.00 C ATOM 643 O ILE A 408 -7.771 3.554 6.294 1.00 0.00 O ATOM 644 CB ILE A 408 -4.698 4.463 5.844 1.00 0.00 C ATOM 645 CG1 ILE A 408 -3.572 5.466 6.101 1.00 0.00 C ATOM 646 CG2 ILE A 408 -5.455 4.825 4.574 1.00 0.00 C ATOM 647 CD1 ILE A 408 -2.245 5.048 5.508 1.00 0.00 C ATOM 0 H ILE A 408 -3.997 3.832 8.186 1.00 0.00 H new ATOM 0 HA ILE A 408 -6.173 5.371 7.132 1.00 0.00 H new ATOM 0 HB ILE A 408 -4.256 3.475 5.713 1.00 0.00 H new ATOM 0 HG12 ILE A 408 -3.857 6.434 5.688 1.00 0.00 H new ATOM 0 HG13 ILE A 408 -3.454 5.600 7.176 1.00 0.00 H new ATOM 0 HG21 ILE A 408 -4.762 4.856 3.734 1.00 0.00 H new ATOM 0 HG22 ILE A 408 -6.224 4.076 4.383 1.00 0.00 H new ATOM 0 HG23 ILE A 408 -5.922 5.802 4.695 1.00 0.00 H new ATOM 0 HD11 ILE A 408 -1.493 5.806 5.729 1.00 0.00 H new ATOM 0 HD12 ILE A 408 -1.938 4.095 5.939 1.00 0.00 H new ATOM 0 HD13 ILE A 408 -2.347 4.941 4.428 1.00 0.00 H new ATOM 659 N LEU A 409 -6.333 2.090 7.218 1.00 0.00 N ATOM 660 CA LEU A 409 -7.223 0.946 7.056 1.00 0.00 C ATOM 661 C LEU A 409 -8.366 0.997 8.066 1.00 0.00 C ATOM 662 O LEU A 409 -9.490 0.598 7.765 1.00 0.00 O ATOM 663 CB LEU A 409 -6.441 -0.359 7.215 1.00 0.00 C ATOM 664 CG LEU A 409 -5.910 -0.957 5.911 1.00 0.00 C ATOM 665 CD1 LEU A 409 -7.058 -1.318 4.983 1.00 0.00 C ATOM 666 CD2 LEU A 409 -4.957 0.014 5.230 1.00 0.00 C ATOM 0 H LEU A 409 -5.438 1.870 7.655 1.00 0.00 H new ATOM 0 HA LEU A 409 -7.649 0.986 6.053 1.00 0.00 H new ATOM 0 HB2 LEU A 409 -5.600 -0.182 7.885 1.00 0.00 H new ATOM 0 HB3 LEU A 409 -7.084 -1.094 7.699 1.00 0.00 H new ATOM 0 HG LEU A 409 -5.362 -1.869 6.148 1.00 0.00 H new ATOM 0 HD11 LEU A 409 -6.661 -1.742 4.061 1.00 0.00 H new ATOM 0 HD12 LEU A 409 -7.703 -2.049 5.470 1.00 0.00 H new ATOM 0 HD13 LEU A 409 -7.634 -0.422 4.752 1.00 0.00 H new ATOM 0 HD21 LEU A 409 -4.588 -0.427 4.304 1.00 0.00 H new ATOM 0 HD22 LEU A 409 -5.482 0.942 5.006 1.00 0.00 H new ATOM 0 HD23 LEU A 409 -4.117 0.223 5.892 1.00 0.00 H new ATOM 678 N ARG A 410 -8.070 1.489 9.264 1.00 0.00 N ATOM 679 CA ARG A 410 -9.073 1.592 10.317 1.00 0.00 C ATOM 680 C ARG A 410 -10.048 2.730 10.031 1.00 0.00 C ATOM 681 O ARG A 410 -11.260 2.524 9.980 1.00 0.00 O ATOM 682 CB ARG A 410 -8.399 1.808 11.672 1.00 0.00 C ATOM 683 CG ARG A 410 -9.379 1.900 12.833 1.00 0.00 C ATOM 684 CD ARG A 410 -9.389 3.289 13.452 1.00 0.00 C ATOM 685 NE ARG A 410 -8.859 3.284 14.814 1.00 0.00 N ATOM 686 CZ ARG A 410 -9.555 2.894 15.880 1.00 0.00 C ATOM 687 NH1 ARG A 410 -10.807 2.476 15.746 1.00 0.00 N ATOM 688 NH2 ARG A 410 -8.996 2.919 17.081 1.00 0.00 N ATOM 0 H ARG A 410 -7.144 1.823 9.530 1.00 0.00 H new ATOM 0 HA ARG A 410 -9.633 0.658 10.344 1.00 0.00 H new ATOM 0 HB2 ARG A 410 -7.705 0.988 11.858 1.00 0.00 H new ATOM 0 HB3 ARG A 410 -7.808 2.723 11.633 1.00 0.00 H new ATOM 0 HG2 ARG A 410 -10.381 1.650 12.484 1.00 0.00 H new ATOM 0 HG3 ARG A 410 -9.113 1.165 13.593 1.00 0.00 H new ATOM 0 HD2 ARG A 410 -8.797 3.965 12.835 1.00 0.00 H new ATOM 0 HD3 ARG A 410 -10.408 3.675 13.461 1.00 0.00 H new ATOM 0 HE ARG A 410 -7.899 3.598 14.956 1.00 0.00 H new ATOM 0 HH11 ARG A 410 -11.241 2.452 14.823 1.00 0.00 H new ATOM 0 HH12 ARG A 410 -11.336 2.178 16.566 1.00 0.00 H new ATOM 0 HH21 ARG A 410 -8.033 3.237 17.189 1.00 0.00 H new ATOM 0 HH22 ARG A 410 -9.529 2.620 17.898 1.00 0.00 H new ATOM 702 N LYS A 411 -9.510 3.931 9.846 1.00 0.00 N ATOM 703 CA LYS A 411 -10.332 5.102 9.566 1.00 0.00 C ATOM 704 C LYS A 411 -11.134 4.909 8.283 1.00 0.00 C ATOM 705 O LYS A 411 -12.341 5.148 8.250 1.00 0.00 O ATOM 706 CB LYS A 411 -9.456 6.352 9.449 1.00 0.00 C ATOM 707 CG LYS A 411 -9.240 7.070 10.771 1.00 0.00 C ATOM 708 CD LYS A 411 -10.244 8.195 10.965 1.00 0.00 C ATOM 709 CE LYS A 411 -10.228 8.716 12.394 1.00 0.00 C ATOM 710 NZ LYS A 411 -11.603 8.969 12.906 1.00 0.00 N ATOM 0 H LYS A 411 -8.508 4.119 9.885 1.00 0.00 H new ATOM 0 HA LYS A 411 -11.029 5.231 10.394 1.00 0.00 H new ATOM 0 HB2 LYS A 411 -8.488 6.069 9.036 1.00 0.00 H new ATOM 0 HB3 LYS A 411 -9.915 7.042 8.741 1.00 0.00 H new ATOM 0 HG2 LYS A 411 -9.327 6.358 11.591 1.00 0.00 H new ATOM 0 HG3 LYS A 411 -8.228 7.474 10.806 1.00 0.00 H new ATOM 0 HD2 LYS A 411 -10.017 9.009 10.277 1.00 0.00 H new ATOM 0 HD3 LYS A 411 -11.244 7.838 10.718 1.00 0.00 H new ATOM 0 HE2 LYS A 411 -9.727 7.994 13.039 1.00 0.00 H new ATOM 0 HE3 LYS A 411 -9.648 9.638 12.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 -11.550 9.323 13.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 -12.072 9.677 12.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 -12.149 8.084 12.888 1.00 0.00 H new ATOM 724 N GLU A 412 -10.455 4.472 7.226 1.00 0.00 N ATOM 725 CA GLU A 412 -11.106 4.246 5.941 1.00 0.00 C ATOM 726 C GLU A 412 -11.728 5.533 5.410 1.00 0.00 C ATOM 727 O GLU A 412 -12.739 5.502 4.710 1.00 0.00 O ATOM 728 CB GLU A 412 -12.181 3.165 6.073 1.00 0.00 C ATOM 729 CG GLU A 412 -11.623 1.792 6.412 1.00 0.00 C ATOM 730 CD GLU A 412 -12.596 0.674 6.092 1.00 0.00 C ATOM 731 OE1 GLU A 412 -13.151 0.674 4.972 1.00 0.00 O ATOM 732 OE2 GLU A 412 -12.801 -0.201 6.959 1.00 0.00 O ATOM 0 H GLU A 412 -9.456 4.268 7.235 1.00 0.00 H new ATOM 0 HA GLU A 412 -10.347 3.912 5.233 1.00 0.00 H new ATOM 0 HB2 GLU A 412 -12.890 3.461 6.846 1.00 0.00 H new ATOM 0 HB3 GLU A 412 -12.738 3.101 5.138 1.00 0.00 H new ATOM 0 HG2 GLU A 412 -10.697 1.633 5.859 1.00 0.00 H new ATOM 0 HG3 GLU A 412 -11.371 1.757 7.472 1.00 0.00 H new ATOM 739 N GLU A 413 -11.113 6.662 5.746 1.00 0.00 N ATOM 740 CA GLU A 413 -11.608 7.961 5.301 1.00 0.00 C ATOM 741 C GLU A 413 -11.493 8.097 3.787 1.00 0.00 C ATOM 742 O GLU A 413 -10.391 8.100 3.237 1.00 0.00 O ATOM 743 CB GLU A 413 -10.831 9.087 5.988 1.00 0.00 C ATOM 744 CG GLU A 413 -11.313 10.476 5.607 1.00 0.00 C ATOM 745 CD GLU A 413 -10.691 11.563 6.463 1.00 0.00 C ATOM 746 OE1 GLU A 413 -9.461 11.759 6.372 1.00 0.00 O ATOM 747 OE2 GLU A 413 -11.435 12.217 7.225 1.00 0.00 O ATOM 0 H GLU A 413 -10.273 6.705 6.323 1.00 0.00 H new ATOM 0 HA GLU A 413 -12.661 8.035 5.574 1.00 0.00 H new ATOM 0 HB2 GLU A 413 -10.912 8.967 7.068 1.00 0.00 H new ATOM 0 HB3 GLU A 413 -9.775 8.996 5.735 1.00 0.00 H new ATOM 0 HG2 GLU A 413 -11.078 10.664 4.559 1.00 0.00 H new ATOM 0 HG3 GLU A 413 -12.398 10.519 5.703 1.00 0.00 H new ATOM 754 N ASP A 414 -12.636 8.210 3.120 1.00 0.00 N ATOM 755 CA ASP A 414 -12.663 8.349 1.669 1.00 0.00 C ATOM 756 C ASP A 414 -11.938 9.621 1.231 1.00 0.00 C ATOM 757 O ASP A 414 -11.919 10.614 1.956 1.00 0.00 O ATOM 758 CB ASP A 414 -14.108 8.368 1.165 1.00 0.00 C ATOM 759 CG ASP A 414 -14.549 7.021 0.625 1.00 0.00 C ATOM 760 OD1 ASP A 414 -15.069 6.207 1.417 1.00 0.00 O ATOM 761 OD2 ASP A 414 -14.374 6.780 -0.587 1.00 0.00 O ATOM 0 H ASP A 414 -13.556 8.208 3.561 1.00 0.00 H new ATOM 0 HA ASP A 414 -12.147 7.492 1.235 1.00 0.00 H new ATOM 0 HB2 ASP A 414 -14.770 8.665 1.979 1.00 0.00 H new ATOM 0 HB3 ASP A 414 -14.207 9.120 0.383 1.00 0.00 H new ATOM 766 N PRO A 415 -11.326 9.603 0.035 1.00 0.00 N ATOM 767 CA PRO A 415 -10.595 10.751 -0.499 1.00 0.00 C ATOM 768 C PRO A 415 -11.505 11.763 -1.190 1.00 0.00 C ATOM 769 O PRO A 415 -11.215 12.217 -2.297 1.00 0.00 O ATOM 770 CB PRO A 415 -9.655 10.103 -1.511 1.00 0.00 C ATOM 771 CG PRO A 415 -10.419 8.932 -2.028 1.00 0.00 C ATOM 772 CD PRO A 415 -11.291 8.453 -0.893 1.00 0.00 C ATOM 0 HA PRO A 415 -10.095 11.321 0.284 1.00 0.00 H new ATOM 0 HB2 PRO A 415 -9.396 10.794 -2.313 1.00 0.00 H new ATOM 0 HB3 PRO A 415 -8.720 9.793 -1.044 1.00 0.00 H new ATOM 0 HG2 PRO A 415 -11.024 9.214 -2.890 1.00 0.00 H new ATOM 0 HG3 PRO A 415 -9.743 8.143 -2.357 1.00 0.00 H new ATOM 0 HD2 PRO A 415 -12.290 8.189 -1.240 1.00 0.00 H new ATOM 0 HD3 PRO A 415 -10.874 7.566 -0.415 1.00 0.00 H new ATOM 780 N LYS A 416 -12.605 12.115 -0.532 1.00 0.00 N ATOM 781 CA LYS A 416 -13.552 13.076 -1.089 1.00 0.00 C ATOM 782 C LYS A 416 -13.347 14.458 -0.479 1.00 0.00 C ATOM 783 O LYS A 416 -13.224 15.453 -1.195 1.00 0.00 O ATOM 784 CB LYS A 416 -14.988 12.607 -0.849 1.00 0.00 C ATOM 785 CG LYS A 416 -15.504 11.656 -1.917 1.00 0.00 C ATOM 786 CD LYS A 416 -16.217 12.404 -3.032 1.00 0.00 C ATOM 787 CE LYS A 416 -16.847 11.446 -4.032 1.00 0.00 C ATOM 788 NZ LYS A 416 -18.184 11.917 -4.486 1.00 0.00 N ATOM 0 H LYS A 416 -12.863 11.751 0.385 1.00 0.00 H new ATOM 0 HA LYS A 416 -13.374 13.143 -2.162 1.00 0.00 H new ATOM 0 HB2 LYS A 416 -15.043 12.114 0.122 1.00 0.00 H new ATOM 0 HB3 LYS A 416 -15.643 13.477 -0.802 1.00 0.00 H new ATOM 0 HG2 LYS A 416 -14.672 11.088 -2.333 1.00 0.00 H new ATOM 0 HG3 LYS A 416 -16.187 10.936 -1.466 1.00 0.00 H new ATOM 0 HD2 LYS A 416 -16.988 13.046 -2.606 1.00 0.00 H new ATOM 0 HD3 LYS A 416 -15.509 13.054 -3.546 1.00 0.00 H new ATOM 0 HE2 LYS A 416 -16.189 11.337 -4.894 1.00 0.00 H new ATOM 0 HE3 LYS A 416 -16.944 10.460 -3.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 416 -18.579 11.237 -5.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 416 -18.820 11.997 -3.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 416 -18.088 12.847 -4.942 1.00 0.00 H new ATOM 802 N THR A 417 -13.310 14.515 0.849 1.00 0.00 N ATOM 803 CA THR A 417 -13.120 15.775 1.557 1.00 0.00 C ATOM 804 C THR A 417 -11.920 15.701 2.495 1.00 0.00 C ATOM 805 O THR A 417 -11.893 16.355 3.538 1.00 0.00 O ATOM 806 CB THR A 417 -14.371 16.157 2.369 1.00 0.00 C ATOM 807 OG1 THR A 417 -15.025 14.975 2.847 1.00 0.00 O ATOM 808 CG2 THR A 417 -15.339 16.969 1.521 1.00 0.00 C ATOM 0 H THR A 417 -13.409 13.702 1.456 1.00 0.00 H new ATOM 0 HA THR A 417 -12.941 16.540 0.801 1.00 0.00 H new ATOM 0 HB THR A 417 -14.055 16.765 3.216 1.00 0.00 H new ATOM 0 HG1 THR A 417 -15.819 15.227 3.364 1.00 0.00 H new ATOM 0 HG21 THR A 417 -16.215 17.227 2.116 1.00 0.00 H new ATOM 0 HG22 THR A 417 -14.849 17.881 1.182 1.00 0.00 H new ATOM 0 HG23 THR A 417 -15.648 16.381 0.657 1.00 0.00 H new ATOM 816 N ALA A 418 -10.928 14.901 2.118 1.00 0.00 N ATOM 817 CA ALA A 418 -9.725 14.741 2.925 1.00 0.00 C ATOM 818 C ALA A 418 -8.655 15.750 2.521 1.00 0.00 C ATOM 819 O ALA A 418 -8.877 16.589 1.649 1.00 0.00 O ATOM 820 CB ALA A 418 -9.190 13.323 2.799 1.00 0.00 C ATOM 0 H ALA A 418 -10.934 14.353 1.258 1.00 0.00 H new ATOM 0 HA ALA A 418 -9.988 14.927 3.966 1.00 0.00 H new ATOM 0 HB1 ALA A 418 -8.291 13.218 3.407 1.00 0.00 H new ATOM 0 HB2 ALA A 418 -9.946 12.617 3.143 1.00 0.00 H new ATOM 0 HB3 ALA A 418 -8.949 13.116 1.756 1.00 0.00 H new ATOM 826 N SER A 419 -7.493 15.659 3.160 1.00 0.00 N ATOM 827 CA SER A 419 -6.387 16.561 2.866 1.00 0.00 C ATOM 828 C SER A 419 -5.536 16.020 1.722 1.00 0.00 C ATOM 829 O SER A 419 -5.803 14.942 1.193 1.00 0.00 O ATOM 830 CB SER A 419 -5.520 16.763 4.111 1.00 0.00 C ATOM 831 OG SER A 419 -5.076 18.105 4.211 1.00 0.00 O ATOM 0 H SER A 419 -7.294 14.969 3.885 1.00 0.00 H new ATOM 0 HA SER A 419 -6.804 17.522 2.564 1.00 0.00 H new ATOM 0 HB2 SER A 419 -6.090 16.498 5.002 1.00 0.00 H new ATOM 0 HB3 SER A 419 -4.660 16.094 4.072 1.00 0.00 H new ATOM 0 HG SER A 419 -4.526 18.208 5.015 1.00 0.00 H new ATOM 837 N GLN A 420 -4.511 16.777 1.346 1.00 0.00 N ATOM 838 CA GLN A 420 -3.622 16.371 0.263 1.00 0.00 C ATOM 839 C GLN A 420 -2.674 15.267 0.720 1.00 0.00 C ATOM 840 O GLN A 420 -2.258 14.426 -0.075 1.00 0.00 O ATOM 841 CB GLN A 420 -2.820 17.572 -0.242 1.00 0.00 C ATOM 842 CG GLN A 420 -3.641 18.548 -1.071 1.00 0.00 C ATOM 843 CD GLN A 420 -2.838 19.757 -1.512 1.00 0.00 C ATOM 844 OE1 GLN A 420 -1.634 19.664 -1.745 1.00 0.00 O ATOM 845 NE2 GLN A 420 -3.505 20.899 -1.627 1.00 0.00 N ATOM 0 H GLN A 420 -4.275 17.673 1.774 1.00 0.00 H new ATOM 0 HA GLN A 420 -4.235 15.983 -0.551 1.00 0.00 H new ATOM 0 HB2 GLN A 420 -2.397 18.101 0.612 1.00 0.00 H new ATOM 0 HB3 GLN A 420 -1.983 17.213 -0.842 1.00 0.00 H new ATOM 0 HG2 GLN A 420 -4.030 18.035 -1.950 1.00 0.00 H new ATOM 0 HG3 GLN A 420 -4.501 18.880 -0.489 1.00 0.00 H new ATOM 0 HE21 GLN A 420 -4.504 20.929 -1.423 1.00 0.00 H new ATOM 0 HE22 GLN A 420 -3.019 21.747 -1.919 1.00 0.00 H new ATOM 854 N SER A 421 -2.338 15.278 2.005 1.00 0.00 N ATOM 855 CA SER A 421 -1.438 14.276 2.569 1.00 0.00 C ATOM 856 C SER A 421 -1.988 12.868 2.366 1.00 0.00 C ATOM 857 O SER A 421 -1.287 11.981 1.880 1.00 0.00 O ATOM 858 CB SER A 421 -1.216 14.542 4.059 1.00 0.00 C ATOM 859 OG SER A 421 0.114 14.965 4.310 1.00 0.00 O ATOM 0 H SER A 421 -2.674 15.969 2.676 1.00 0.00 H new ATOM 0 HA SER A 421 -0.484 14.348 2.047 1.00 0.00 H new ATOM 0 HB2 SER A 421 -1.914 15.305 4.403 1.00 0.00 H new ATOM 0 HB3 SER A 421 -1.426 13.637 4.628 1.00 0.00 H new ATOM 0 HG SER A 421 0.229 15.130 5.269 1.00 0.00 H new ATOM 865 N LEU A 422 -3.248 12.670 2.740 1.00 0.00 N ATOM 866 CA LEU A 422 -3.891 11.368 2.600 1.00 0.00 C ATOM 867 C LEU A 422 -4.020 10.980 1.130 1.00 0.00 C ATOM 868 O LEU A 422 -3.795 9.827 0.761 1.00 0.00 O ATOM 869 CB LEU A 422 -5.273 11.385 3.259 1.00 0.00 C ATOM 870 CG LEU A 422 -6.034 10.060 3.202 1.00 0.00 C ATOM 871 CD1 LEU A 422 -5.309 8.993 4.007 1.00 0.00 C ATOM 872 CD2 LEU A 422 -7.456 10.243 3.713 1.00 0.00 C ATOM 0 H LEU A 422 -3.844 13.394 3.142 1.00 0.00 H new ATOM 0 HA LEU A 422 -3.267 10.627 3.099 1.00 0.00 H new ATOM 0 HB2 LEU A 422 -5.157 11.675 4.303 1.00 0.00 H new ATOM 0 HB3 LEU A 422 -5.878 12.155 2.780 1.00 0.00 H new ATOM 0 HG LEU A 422 -6.080 9.732 2.164 1.00 0.00 H new ATOM 0 HD11 LEU A 422 -5.865 8.057 3.955 1.00 0.00 H new ATOM 0 HD12 LEU A 422 -4.310 8.845 3.598 1.00 0.00 H new ATOM 0 HD13 LEU A 422 -5.231 9.311 5.047 1.00 0.00 H new ATOM 0 HD21 LEU A 422 -7.985 9.291 3.666 1.00 0.00 H new ATOM 0 HD22 LEU A 422 -7.430 10.593 4.745 1.00 0.00 H new ATOM 0 HD23 LEU A 422 -7.973 10.976 3.094 1.00 0.00 H new ATOM 884 N LEU A 423 -4.382 11.949 0.297 1.00 0.00 N ATOM 885 CA LEU A 423 -4.541 11.709 -1.134 1.00 0.00 C ATOM 886 C LEU A 423 -3.242 11.193 -1.747 1.00 0.00 C ATOM 887 O LEU A 423 -3.257 10.318 -2.612 1.00 0.00 O ATOM 888 CB LEU A 423 -4.979 12.994 -1.842 1.00 0.00 C ATOM 889 CG LEU A 423 -6.493 13.166 -1.994 1.00 0.00 C ATOM 890 CD1 LEU A 423 -7.040 12.191 -3.025 1.00 0.00 C ATOM 891 CD2 LEU A 423 -7.191 12.976 -0.654 1.00 0.00 C ATOM 0 H LEU A 423 -4.571 12.908 0.587 1.00 0.00 H new ATOM 0 HA LEU A 423 -5.311 10.949 -1.267 1.00 0.00 H new ATOM 0 HB2 LEU A 423 -4.585 13.847 -1.290 1.00 0.00 H new ATOM 0 HB3 LEU A 423 -4.525 13.018 -2.832 1.00 0.00 H new ATOM 0 HG LEU A 423 -6.690 14.180 -2.342 1.00 0.00 H new ATOM 0 HD11 LEU A 423 -8.117 12.328 -3.120 1.00 0.00 H new ATOM 0 HD12 LEU A 423 -6.565 12.376 -3.988 1.00 0.00 H new ATOM 0 HD13 LEU A 423 -6.831 11.170 -2.707 1.00 0.00 H new ATOM 0 HD21 LEU A 423 -8.266 13.102 -0.783 1.00 0.00 H new ATOM 0 HD22 LEU A 423 -6.986 11.975 -0.276 1.00 0.00 H new ATOM 0 HD23 LEU A 423 -6.821 13.715 0.057 1.00 0.00 H new ATOM 903 N VAL A 424 -2.119 11.741 -1.293 1.00 0.00 N ATOM 904 CA VAL A 424 -0.813 11.335 -1.797 1.00 0.00 C ATOM 905 C VAL A 424 -0.490 9.902 -1.386 1.00 0.00 C ATOM 906 O VAL A 424 0.142 9.158 -2.135 1.00 0.00 O ATOM 907 CB VAL A 424 0.303 12.269 -1.291 1.00 0.00 C ATOM 908 CG1 VAL A 424 1.632 11.920 -1.943 1.00 0.00 C ATOM 909 CG2 VAL A 424 -0.060 13.724 -1.550 1.00 0.00 C ATOM 0 H VAL A 424 -2.088 12.467 -0.577 1.00 0.00 H new ATOM 0 HA VAL A 424 -0.859 11.398 -2.884 1.00 0.00 H new ATOM 0 HB VAL A 424 0.406 12.129 -0.215 1.00 0.00 H new ATOM 0 HG11 VAL A 424 2.407 12.591 -1.572 1.00 0.00 H new ATOM 0 HG12 VAL A 424 1.897 10.891 -1.701 1.00 0.00 H new ATOM 0 HG13 VAL A 424 1.546 12.027 -3.024 1.00 0.00 H new ATOM 0 HG21 VAL A 424 0.740 14.369 -1.186 1.00 0.00 H new ATOM 0 HG22 VAL A 424 -0.194 13.881 -2.620 1.00 0.00 H new ATOM 0 HG23 VAL A 424 -0.987 13.966 -1.029 1.00 0.00 H new ATOM 919 N ASN A 425 -0.930 9.523 -0.191 1.00 0.00 N ATOM 920 CA ASN A 425 -0.689 8.179 0.320 1.00 0.00 C ATOM 921 C ASN A 425 -1.603 7.168 -0.364 1.00 0.00 C ATOM 922 O ASN A 425 -1.172 6.073 -0.727 1.00 0.00 O ATOM 923 CB ASN A 425 -0.907 8.140 1.834 1.00 0.00 C ATOM 924 CG ASN A 425 -0.180 9.260 2.550 1.00 0.00 C ATOM 925 OD1 ASN A 425 -0.721 9.882 3.464 1.00 0.00 O ATOM 926 ND2 ASN A 425 1.054 9.527 2.135 1.00 0.00 N ATOM 0 H ASN A 425 -1.455 10.127 0.441 1.00 0.00 H new ATOM 0 HA ASN A 425 0.345 7.913 0.103 1.00 0.00 H new ATOM 0 HB2 ASN A 425 -1.974 8.208 2.047 1.00 0.00 H new ATOM 0 HB3 ASN A 425 -0.565 7.181 2.223 1.00 0.00 H new ATOM 0 HD21 ASN A 425 1.591 10.273 2.578 1.00 0.00 H new ATOM 0 HD22 ASN A 425 1.464 8.986 1.374 1.00 0.00 H new ATOM 933 N LEU A 426 -2.865 7.543 -0.539 1.00 0.00 N ATOM 934 CA LEU A 426 -3.841 6.672 -1.181 1.00 0.00 C ATOM 935 C LEU A 426 -3.447 6.391 -2.629 1.00 0.00 C ATOM 936 O LEU A 426 -3.551 5.261 -3.105 1.00 0.00 O ATOM 937 CB LEU A 426 -5.234 7.304 -1.128 1.00 0.00 C ATOM 938 CG LEU A 426 -6.213 6.632 -0.164 1.00 0.00 C ATOM 939 CD1 LEU A 426 -5.647 6.618 1.247 1.00 0.00 C ATOM 940 CD2 LEU A 426 -7.559 7.340 -0.194 1.00 0.00 C ATOM 0 H LEU A 426 -3.236 8.446 -0.244 1.00 0.00 H new ATOM 0 HA LEU A 426 -3.861 5.726 -0.640 1.00 0.00 H new ATOM 0 HB2 LEU A 426 -5.131 8.352 -0.845 1.00 0.00 H new ATOM 0 HB3 LEU A 426 -5.663 7.285 -2.130 1.00 0.00 H new ATOM 0 HG LEU A 426 -6.360 5.601 -0.484 1.00 0.00 H new ATOM 0 HD11 LEU A 426 -6.357 6.136 1.919 1.00 0.00 H new ATOM 0 HD12 LEU A 426 -4.707 6.067 1.256 1.00 0.00 H new ATOM 0 HD13 LEU A 426 -5.471 7.641 1.578 1.00 0.00 H new ATOM 0 HD21 LEU A 426 -8.244 6.849 0.498 1.00 0.00 H new ATOM 0 HD22 LEU A 426 -7.429 8.381 0.102 1.00 0.00 H new ATOM 0 HD23 LEU A 426 -7.970 7.298 -1.203 1.00 0.00 H new ATOM 952 N ARG A 427 -2.994 7.432 -3.324 1.00 0.00 N ATOM 953 CA ARG A 427 -2.583 7.298 -4.717 1.00 0.00 C ATOM 954 C ARG A 427 -1.432 6.307 -4.853 1.00 0.00 C ATOM 955 O ARG A 427 -1.402 5.500 -5.782 1.00 0.00 O ATOM 956 CB ARG A 427 -2.169 8.659 -5.281 1.00 0.00 C ATOM 957 CG ARG A 427 -2.211 8.726 -6.799 1.00 0.00 C ATOM 958 CD ARG A 427 -1.393 9.894 -7.326 1.00 0.00 C ATOM 959 NE ARG A 427 -1.909 10.393 -8.599 1.00 0.00 N ATOM 960 CZ ARG A 427 -3.072 11.029 -8.730 1.00 0.00 C ATOM 961 NH1 ARG A 427 -3.842 11.243 -7.671 1.00 0.00 N ATOM 962 NH2 ARG A 427 -3.464 11.450 -9.924 1.00 0.00 N ATOM 0 H ARG A 427 -2.903 8.375 -2.945 1.00 0.00 H new ATOM 0 HA ARG A 427 -3.433 6.919 -5.285 1.00 0.00 H new ATOM 0 HB2 ARG A 427 -2.826 9.427 -4.873 1.00 0.00 H new ATOM 0 HB3 ARG A 427 -1.159 8.891 -4.943 1.00 0.00 H new ATOM 0 HG2 ARG A 427 -1.829 7.795 -7.216 1.00 0.00 H new ATOM 0 HG3 ARG A 427 -3.244 8.824 -7.132 1.00 0.00 H new ATOM 0 HD2 ARG A 427 -1.397 10.700 -6.592 1.00 0.00 H new ATOM 0 HD3 ARG A 427 -0.356 9.583 -7.452 1.00 0.00 H new ATOM 0 HE ARG A 427 -1.345 10.246 -9.436 1.00 0.00 H new ATOM 0 HH11 ARG A 427 -3.544 10.920 -6.750 1.00 0.00 H new ATOM 0 HH12 ARG A 427 -4.732 11.731 -7.777 1.00 0.00 H new ATOM 0 HH21 ARG A 427 -2.875 11.287 -10.741 1.00 0.00 H new ATOM 0 HH22 ARG A 427 -4.354 11.937 -10.026 1.00 0.00 H new ATOM 976 N ALA A 428 -0.488 6.373 -3.918 1.00 0.00 N ATOM 977 CA ALA A 428 0.664 5.480 -3.934 1.00 0.00 C ATOM 978 C ALA A 428 0.233 4.027 -3.773 1.00 0.00 C ATOM 979 O ALA A 428 0.730 3.141 -4.466 1.00 0.00 O ATOM 980 CB ALA A 428 1.646 5.867 -2.839 1.00 0.00 C ATOM 0 H ALA A 428 -0.499 7.035 -3.142 1.00 0.00 H new ATOM 0 HA ALA A 428 1.158 5.580 -4.901 1.00 0.00 H new ATOM 0 HB1 ALA A 428 2.502 5.192 -2.862 1.00 0.00 H new ATOM 0 HB2 ALA A 428 1.986 6.890 -3.000 1.00 0.00 H new ATOM 0 HB3 ALA A 428 1.155 5.797 -1.868 1.00 0.00 H new ATOM 986 N MET A 429 -0.697 3.790 -2.853 1.00 0.00 N ATOM 987 CA MET A 429 -1.198 2.445 -2.601 1.00 0.00 C ATOM 988 C MET A 429 -2.046 1.955 -3.769 1.00 0.00 C ATOM 989 O MET A 429 -2.036 0.771 -4.103 1.00 0.00 O ATOM 990 CB MET A 429 -2.018 2.416 -1.310 1.00 0.00 C ATOM 991 CG MET A 429 -1.201 2.058 -0.078 1.00 0.00 C ATOM 992 SD MET A 429 -2.187 1.252 1.198 1.00 0.00 S ATOM 993 CE MET A 429 -2.930 2.671 1.999 1.00 0.00 C ATOM 0 H MET A 429 -1.119 4.513 -2.270 1.00 0.00 H new ATOM 0 HA MET A 429 -0.342 1.779 -2.492 1.00 0.00 H new ATOM 0 HB2 MET A 429 -2.478 3.393 -1.160 1.00 0.00 H new ATOM 0 HB3 MET A 429 -2.828 1.696 -1.420 1.00 0.00 H new ATOM 0 HG2 MET A 429 -0.382 1.400 -0.368 1.00 0.00 H new ATOM 0 HG3 MET A 429 -0.753 2.963 0.332 1.00 0.00 H new ATOM 0 HE1 MET A 429 -3.571 2.335 2.814 1.00 0.00 H new ATOM 0 HE2 MET A 429 -2.146 3.316 2.396 1.00 0.00 H new ATOM 0 HE3 MET A 429 -3.525 3.227 1.275 1.00 0.00 H new ATOM 1003 N GLN A 430 -2.777 2.875 -4.390 1.00 0.00 N ATOM 1004 CA GLN A 430 -3.630 2.537 -5.522 1.00 0.00 C ATOM 1005 C GLN A 430 -2.789 2.164 -6.739 1.00 0.00 C ATOM 1006 O GLN A 430 -3.046 1.157 -7.398 1.00 0.00 O ATOM 1007 CB GLN A 430 -4.550 3.710 -5.863 1.00 0.00 C ATOM 1008 CG GLN A 430 -5.573 3.387 -6.940 1.00 0.00 C ATOM 1009 CD GLN A 430 -6.002 4.613 -7.722 1.00 0.00 C ATOM 1010 OE1 GLN A 430 -5.192 5.254 -8.391 1.00 0.00 O ATOM 1011 NE2 GLN A 430 -7.287 4.946 -7.641 1.00 0.00 N ATOM 0 H GLN A 430 -2.795 3.861 -4.128 1.00 0.00 H new ATOM 0 HA GLN A 430 -4.240 1.677 -5.244 1.00 0.00 H new ATOM 0 HB2 GLN A 430 -5.073 4.026 -4.960 1.00 0.00 H new ATOM 0 HB3 GLN A 430 -3.943 4.554 -6.191 1.00 0.00 H new ATOM 0 HG2 GLN A 430 -5.153 2.651 -7.626 1.00 0.00 H new ATOM 0 HG3 GLN A 430 -6.449 2.930 -6.479 1.00 0.00 H new ATOM 0 HE21 GLN A 430 -7.924 4.386 -7.074 1.00 0.00 H new ATOM 0 HE22 GLN A 430 -7.635 5.761 -8.146 1.00 0.00 H new ATOM 1020 N ASN A 431 -1.784 2.983 -7.030 1.00 0.00 N ATOM 1021 CA ASN A 431 -0.904 2.738 -8.166 1.00 0.00 C ATOM 1022 C ASN A 431 -0.202 1.392 -8.029 1.00 0.00 C ATOM 1023 O ASN A 431 -0.004 0.680 -9.013 1.00 0.00 O ATOM 1024 CB ASN A 431 0.134 3.858 -8.283 1.00 0.00 C ATOM 1025 CG ASN A 431 -0.389 5.054 -9.054 1.00 0.00 C ATOM 1026 OD1 ASN A 431 -1.079 5.910 -8.501 1.00 0.00 O ATOM 1027 ND2 ASN A 431 -0.059 5.118 -10.339 1.00 0.00 N ATOM 0 H ASN A 431 -1.559 3.822 -6.495 1.00 0.00 H new ATOM 0 HA ASN A 431 -1.513 2.719 -9.070 1.00 0.00 H new ATOM 0 HB2 ASN A 431 0.435 4.176 -7.285 1.00 0.00 H new ATOM 0 HB3 ASN A 431 1.026 3.473 -8.777 1.00 0.00 H new ATOM 0 HD21 ASN A 431 -0.380 5.900 -10.910 1.00 0.00 H new ATOM 0 HD22 ASN A 431 0.515 4.385 -10.755 1.00 0.00 H new ATOM 1034 N PHE A 432 0.170 1.050 -6.800 1.00 0.00 N ATOM 1035 CA PHE A 432 0.850 -0.213 -6.530 1.00 0.00 C ATOM 1036 C PHE A 432 -0.088 -1.394 -6.762 1.00 0.00 C ATOM 1037 O PHE A 432 0.295 -2.392 -7.372 1.00 0.00 O ATOM 1038 CB PHE A 432 1.373 -0.236 -5.094 1.00 0.00 C ATOM 1039 CG PHE A 432 2.569 -1.126 -4.903 1.00 0.00 C ATOM 1040 CD1 PHE A 432 3.691 -0.980 -5.703 1.00 0.00 C ATOM 1041 CD2 PHE A 432 2.569 -2.108 -3.927 1.00 0.00 C ATOM 1042 CE1 PHE A 432 4.793 -1.798 -5.530 1.00 0.00 C ATOM 1043 CE2 PHE A 432 3.667 -2.928 -3.749 1.00 0.00 C ATOM 1044 CZ PHE A 432 4.779 -2.772 -4.551 1.00 0.00 C ATOM 0 H PHE A 432 0.012 1.629 -5.975 1.00 0.00 H new ATOM 0 HA PHE A 432 1.692 -0.300 -7.217 1.00 0.00 H new ATOM 0 HB2 PHE A 432 1.635 0.779 -4.795 1.00 0.00 H new ATOM 0 HB3 PHE A 432 0.574 -0.568 -4.431 1.00 0.00 H new ATOM 0 HD1 PHE A 432 3.705 -0.219 -6.470 1.00 0.00 H new ATOM 0 HD2 PHE A 432 1.701 -2.235 -3.297 1.00 0.00 H new ATOM 0 HE1 PHE A 432 5.662 -1.675 -6.159 1.00 0.00 H new ATOM 0 HE2 PHE A 432 3.655 -3.690 -2.983 1.00 0.00 H new ATOM 0 HZ PHE A 432 5.638 -3.412 -4.413 1.00 0.00 H new ATOM 1054 N LEU A 433 -1.316 -1.273 -6.270 1.00 0.00 N ATOM 1055 CA LEU A 433 -2.308 -2.330 -6.422 1.00 0.00 C ATOM 1056 C LEU A 433 -2.805 -2.404 -7.863 1.00 0.00 C ATOM 1057 O LEU A 433 -3.124 -3.481 -8.365 1.00 0.00 O ATOM 1058 CB LEU A 433 -3.485 -2.094 -5.476 1.00 0.00 C ATOM 1059 CG LEU A 433 -3.204 -2.401 -4.003 1.00 0.00 C ATOM 1060 CD1 LEU A 433 -4.140 -1.610 -3.104 1.00 0.00 C ATOM 1061 CD2 LEU A 433 -3.338 -3.893 -3.736 1.00 0.00 C ATOM 0 H LEU A 433 -1.648 -0.453 -5.762 1.00 0.00 H new ATOM 0 HA LEU A 433 -1.834 -3.279 -6.170 1.00 0.00 H new ATOM 0 HB2 LEU A 433 -3.797 -1.053 -5.561 1.00 0.00 H new ATOM 0 HB3 LEU A 433 -4.324 -2.706 -5.805 1.00 0.00 H new ATOM 0 HG LEU A 433 -2.180 -2.102 -3.778 1.00 0.00 H new ATOM 0 HD11 LEU A 433 -3.925 -1.842 -2.061 1.00 0.00 H new ATOM 0 HD12 LEU A 433 -3.995 -0.544 -3.276 1.00 0.00 H new ATOM 0 HD13 LEU A 433 -5.173 -1.877 -3.329 1.00 0.00 H new ATOM 0 HD21 LEU A 433 -3.135 -4.094 -2.684 1.00 0.00 H new ATOM 0 HD22 LEU A 433 -4.350 -4.217 -3.978 1.00 0.00 H new ATOM 0 HD23 LEU A 433 -2.625 -4.439 -4.354 1.00 0.00 H new ATOM 1073 N GLN A 434 -2.868 -1.251 -8.521 1.00 0.00 N ATOM 1074 CA GLN A 434 -3.325 -1.185 -9.906 1.00 0.00 C ATOM 1075 C GLN A 434 -2.303 -1.819 -10.844 1.00 0.00 C ATOM 1076 O GLN A 434 -2.663 -2.386 -11.877 1.00 0.00 O ATOM 1077 CB GLN A 434 -3.578 0.267 -10.313 1.00 0.00 C ATOM 1078 CG GLN A 434 -5.004 0.731 -10.058 1.00 0.00 C ATOM 1079 CD GLN A 434 -5.251 2.144 -10.546 1.00 0.00 C ATOM 1080 OE1 GLN A 434 -6.076 2.372 -11.431 1.00 0.00 O ATOM 1081 NE2 GLN A 434 -4.539 3.104 -9.969 1.00 0.00 N ATOM 0 H GLN A 434 -2.609 -0.350 -8.119 1.00 0.00 H new ATOM 0 HA GLN A 434 -4.258 -1.743 -9.983 1.00 0.00 H new ATOM 0 HB2 GLN A 434 -2.891 0.914 -9.767 1.00 0.00 H new ATOM 0 HB3 GLN A 434 -3.351 0.383 -11.373 1.00 0.00 H new ATOM 0 HG2 GLN A 434 -5.698 0.052 -10.554 1.00 0.00 H new ATOM 0 HG3 GLN A 434 -5.215 0.677 -8.990 1.00 0.00 H new ATOM 0 HE21 GLN A 434 -3.866 2.871 -9.239 1.00 0.00 H new ATOM 0 HE22 GLN A 434 -4.665 4.075 -10.255 1.00 0.00 H new ATOM 1090 N LEU A 435 -1.029 -1.719 -10.479 1.00 0.00 N ATOM 1091 CA LEU A 435 0.046 -2.283 -11.287 1.00 0.00 C ATOM 1092 C LEU A 435 -0.136 -3.789 -11.462 1.00 0.00 C ATOM 1093 O LEU A 435 -0.843 -4.430 -10.685 1.00 0.00 O ATOM 1094 CB LEU A 435 1.402 -1.993 -10.641 1.00 0.00 C ATOM 1095 CG LEU A 435 1.968 -0.599 -10.919 1.00 0.00 C ATOM 1096 CD1 LEU A 435 2.972 -0.208 -9.846 1.00 0.00 C ATOM 1097 CD2 LEU A 435 2.611 -0.553 -12.296 1.00 0.00 C ATOM 0 H LEU A 435 -0.716 -1.252 -9.628 1.00 0.00 H new ATOM 0 HA LEU A 435 0.012 -1.815 -12.271 1.00 0.00 H new ATOM 0 HB2 LEU A 435 1.308 -2.122 -9.563 1.00 0.00 H new ATOM 0 HB3 LEU A 435 2.120 -2.736 -10.990 1.00 0.00 H new ATOM 0 HG LEU A 435 1.148 0.118 -10.898 1.00 0.00 H new ATOM 0 HD11 LEU A 435 3.364 0.786 -10.060 1.00 0.00 H new ATOM 0 HD12 LEU A 435 2.481 -0.203 -8.873 1.00 0.00 H new ATOM 0 HD13 LEU A 435 3.791 -0.927 -9.835 1.00 0.00 H new ATOM 0 HD21 LEU A 435 3.009 0.445 -12.479 1.00 0.00 H new ATOM 0 HD22 LEU A 435 3.421 -1.281 -12.344 1.00 0.00 H new ATOM 0 HD23 LEU A 435 1.865 -0.790 -13.054 1.00 0.00 H new ATOM 1109 N PRO A 436 0.505 -4.374 -12.489 1.00 0.00 N ATOM 1110 CA PRO A 436 0.411 -5.813 -12.759 1.00 0.00 C ATOM 1111 C PRO A 436 1.037 -6.652 -11.651 1.00 0.00 C ATOM 1112 O PRO A 436 1.996 -6.232 -11.006 1.00 0.00 O ATOM 1113 CB PRO A 436 1.189 -5.987 -14.068 1.00 0.00 C ATOM 1114 CG PRO A 436 2.103 -4.812 -14.130 1.00 0.00 C ATOM 1115 CD PRO A 436 1.370 -3.685 -13.461 1.00 0.00 C ATOM 0 HA PRO A 436 -0.625 -6.147 -12.819 1.00 0.00 H new ATOM 0 HB2 PRO A 436 1.748 -6.923 -14.074 1.00 0.00 H new ATOM 0 HB3 PRO A 436 0.518 -6.011 -14.926 1.00 0.00 H new ATOM 0 HG2 PRO A 436 3.044 -5.022 -13.622 1.00 0.00 H new ATOM 0 HG3 PRO A 436 2.347 -4.561 -15.162 1.00 0.00 H new ATOM 0 HD2 PRO A 436 2.056 -2.994 -12.970 1.00 0.00 H new ATOM 0 HD3 PRO A 436 0.788 -3.103 -14.176 1.00 0.00 H new ATOM 1123 N GLU A 437 0.484 -7.841 -11.433 1.00 0.00 N ATOM 1124 CA GLU A 437 0.983 -8.742 -10.400 1.00 0.00 C ATOM 1125 C GLU A 437 2.450 -9.086 -10.637 1.00 0.00 C ATOM 1126 O GLU A 437 3.199 -9.339 -9.692 1.00 0.00 O ATOM 1127 CB GLU A 437 0.147 -10.022 -10.363 1.00 0.00 C ATOM 1128 CG GLU A 437 0.366 -10.855 -9.111 1.00 0.00 C ATOM 1129 CD GLU A 437 -0.934 -11.241 -8.432 1.00 0.00 C ATOM 1130 OE1 GLU A 437 -1.727 -10.333 -8.106 1.00 0.00 O ATOM 1131 OE2 GLU A 437 -1.158 -12.452 -8.225 1.00 0.00 O ATOM 0 H GLU A 437 -0.311 -8.203 -11.959 1.00 0.00 H new ATOM 0 HA GLU A 437 0.899 -8.233 -9.440 1.00 0.00 H new ATOM 0 HB2 GLU A 437 -0.908 -9.759 -10.434 1.00 0.00 H new ATOM 0 HB3 GLU A 437 0.385 -10.627 -11.238 1.00 0.00 H new ATOM 0 HG2 GLU A 437 0.917 -11.758 -9.372 1.00 0.00 H new ATOM 0 HG3 GLU A 437 0.985 -10.295 -8.410 1.00 0.00 H new ATOM 1138 N ALA A 438 2.857 -9.095 -11.902 1.00 0.00 N ATOM 1139 CA ALA A 438 4.236 -9.410 -12.261 1.00 0.00 C ATOM 1140 C ALA A 438 5.213 -8.457 -11.579 1.00 0.00 C ATOM 1141 O ALA A 438 6.273 -8.871 -11.111 1.00 0.00 O ATOM 1142 CB ALA A 438 4.414 -9.361 -13.771 1.00 0.00 C ATOM 0 H ALA A 438 2.252 -8.888 -12.696 1.00 0.00 H new ATOM 0 HA ALA A 438 4.453 -10.420 -11.914 1.00 0.00 H new ATOM 0 HB1 ALA A 438 5.448 -9.598 -14.023 1.00 0.00 H new ATOM 0 HB2 ALA A 438 3.750 -10.088 -14.239 1.00 0.00 H new ATOM 0 HB3 ALA A 438 4.172 -8.362 -14.134 1.00 0.00 H new ATOM 1148 N GLU A 439 4.848 -7.181 -11.525 1.00 0.00 N ATOM 1149 CA GLU A 439 5.693 -6.171 -10.899 1.00 0.00 C ATOM 1150 C GLU A 439 5.716 -6.344 -9.384 1.00 0.00 C ATOM 1151 O GLU A 439 6.783 -6.407 -8.772 1.00 0.00 O ATOM 1152 CB GLU A 439 5.199 -4.768 -11.259 1.00 0.00 C ATOM 1153 CG GLU A 439 6.321 -3.785 -11.553 1.00 0.00 C ATOM 1154 CD GLU A 439 6.549 -3.591 -13.039 1.00 0.00 C ATOM 1155 OE1 GLU A 439 5.655 -3.032 -13.709 1.00 0.00 O ATOM 1156 OE2 GLU A 439 7.621 -3.997 -13.533 1.00 0.00 O ATOM 0 H GLU A 439 3.973 -6.822 -11.907 1.00 0.00 H new ATOM 0 HA GLU A 439 6.708 -6.298 -11.275 1.00 0.00 H new ATOM 0 HB2 GLU A 439 4.547 -4.834 -12.130 1.00 0.00 H new ATOM 0 HB3 GLU A 439 4.595 -4.382 -10.437 1.00 0.00 H new ATOM 0 HG2 GLU A 439 6.086 -2.824 -11.096 1.00 0.00 H new ATOM 0 HG3 GLU A 439 7.242 -4.141 -11.091 1.00 0.00 H new ATOM 1163 N ARG A 440 4.532 -6.418 -8.784 1.00 0.00 N ATOM 1164 CA ARG A 440 4.416 -6.583 -7.340 1.00 0.00 C ATOM 1165 C ARG A 440 5.095 -7.871 -6.882 1.00 0.00 C ATOM 1166 O ARG A 440 5.610 -7.950 -5.766 1.00 0.00 O ATOM 1167 CB ARG A 440 2.944 -6.593 -6.925 1.00 0.00 C ATOM 1168 CG ARG A 440 2.301 -5.217 -6.929 1.00 0.00 C ATOM 1169 CD ARG A 440 1.085 -5.167 -6.018 1.00 0.00 C ATOM 1170 NE ARG A 440 0.064 -6.135 -6.416 1.00 0.00 N ATOM 1171 CZ ARG A 440 -0.796 -5.939 -7.412 1.00 0.00 C ATOM 1172 NH1 ARG A 440 -0.759 -4.815 -8.120 1.00 0.00 N ATOM 1173 NH2 ARG A 440 -1.692 -6.870 -7.706 1.00 0.00 N ATOM 0 H ARG A 440 3.640 -6.366 -9.276 1.00 0.00 H new ATOM 0 HA ARG A 440 4.916 -5.741 -6.862 1.00 0.00 H new ATOM 0 HB2 ARG A 440 2.390 -7.246 -7.599 1.00 0.00 H new ATOM 0 HB3 ARG A 440 2.860 -7.021 -5.926 1.00 0.00 H new ATOM 0 HG2 ARG A 440 3.029 -4.473 -6.606 1.00 0.00 H new ATOM 0 HG3 ARG A 440 2.007 -4.955 -7.945 1.00 0.00 H new ATOM 0 HD2 ARG A 440 1.392 -5.365 -4.991 1.00 0.00 H new ATOM 0 HD3 ARG A 440 0.660 -4.163 -6.035 1.00 0.00 H new ATOM 0 HE ARG A 440 0.008 -7.013 -5.899 1.00 0.00 H new ATOM 0 HH11 ARG A 440 -0.069 -4.097 -7.901 1.00 0.00 H new ATOM 0 HH12 ARG A 440 -1.421 -4.671 -8.882 1.00 0.00 H new ATOM 0 HH21 ARG A 440 -1.722 -7.737 -7.169 1.00 0.00 H new ATOM 0 HH22 ARG A 440 -2.352 -6.720 -8.470 1.00 0.00 H new ATOM 1187 N ASP A 441 5.094 -8.876 -7.750 1.00 0.00 N ATOM 1188 CA ASP A 441 5.708 -10.159 -7.435 1.00 0.00 C ATOM 1189 C ASP A 441 7.199 -9.996 -7.157 1.00 0.00 C ATOM 1190 O ASP A 441 7.691 -10.395 -6.101 1.00 0.00 O ATOM 1191 CB ASP A 441 5.492 -11.147 -8.584 1.00 0.00 C ATOM 1192 CG ASP A 441 4.617 -12.320 -8.182 1.00 0.00 C ATOM 1193 OD1 ASP A 441 3.380 -12.205 -8.303 1.00 0.00 O ATOM 1194 OD2 ASP A 441 5.171 -13.352 -7.747 1.00 0.00 O ATOM 0 H ASP A 441 4.674 -8.826 -8.678 1.00 0.00 H new ATOM 0 HA ASP A 441 5.233 -10.551 -6.536 1.00 0.00 H new ATOM 0 HB2 ASP A 441 5.034 -10.627 -9.425 1.00 0.00 H new ATOM 0 HB3 ASP A 441 6.458 -11.518 -8.927 1.00 0.00 H new ATOM 1199 N ARG A 442 7.916 -9.411 -8.112 1.00 0.00 N ATOM 1200 CA ARG A 442 9.351 -9.197 -7.967 1.00 0.00 C ATOM 1201 C ARG A 442 9.650 -8.284 -6.782 1.00 0.00 C ATOM 1202 O ARG A 442 10.561 -8.548 -5.996 1.00 0.00 O ATOM 1203 CB ARG A 442 9.932 -8.598 -9.249 1.00 0.00 C ATOM 1204 CG ARG A 442 10.207 -9.631 -10.332 1.00 0.00 C ATOM 1205 CD ARG A 442 11.603 -9.473 -10.917 1.00 0.00 C ATOM 1206 NE ARG A 442 11.583 -8.784 -12.204 1.00 0.00 N ATOM 1207 CZ ARG A 442 12.584 -8.822 -13.081 1.00 0.00 C ATOM 1208 NH1 ARG A 442 13.687 -9.511 -12.813 1.00 0.00 N ATOM 1209 NH2 ARG A 442 12.484 -8.167 -14.230 1.00 0.00 N ATOM 0 H ARG A 442 7.527 -9.077 -8.994 1.00 0.00 H new ATOM 0 HA ARG A 442 9.819 -10.164 -7.783 1.00 0.00 H new ATOM 0 HB2 ARG A 442 9.240 -7.851 -9.638 1.00 0.00 H new ATOM 0 HB3 ARG A 442 10.860 -8.078 -9.010 1.00 0.00 H new ATOM 0 HG2 ARG A 442 10.098 -10.633 -9.916 1.00 0.00 H new ATOM 0 HG3 ARG A 442 9.466 -9.533 -11.126 1.00 0.00 H new ATOM 0 HD2 ARG A 442 12.228 -8.917 -10.218 1.00 0.00 H new ATOM 0 HD3 ARG A 442 12.058 -10.456 -11.039 1.00 0.00 H new ATOM 0 HE ARG A 442 10.754 -8.242 -12.445 1.00 0.00 H new ATOM 0 HH11 ARG A 442 13.771 -10.016 -11.931 1.00 0.00 H new ATOM 0 HH12 ARG A 442 14.450 -9.536 -13.490 1.00 0.00 H new ATOM 0 HH21 ARG A 442 11.640 -7.634 -14.442 1.00 0.00 H new ATOM 0 HH22 ARG A 442 13.251 -8.196 -14.902 1.00 0.00 H new ATOM 1223 N ILE A 443 8.877 -7.209 -6.658 1.00 0.00 N ATOM 1224 CA ILE A 443 9.060 -6.259 -5.567 1.00 0.00 C ATOM 1225 C ILE A 443 8.908 -6.944 -4.213 1.00 0.00 C ATOM 1226 O ILE A 443 9.531 -6.543 -3.230 1.00 0.00 O ATOM 1227 CB ILE A 443 8.054 -5.092 -5.660 1.00 0.00 C ATOM 1228 CG1 ILE A 443 8.149 -4.412 -7.026 1.00 0.00 C ATOM 1229 CG2 ILE A 443 8.298 -4.084 -4.545 1.00 0.00 C ATOM 1230 CD1 ILE A 443 6.884 -3.690 -7.433 1.00 0.00 C ATOM 0 H ILE A 443 8.119 -6.975 -7.299 1.00 0.00 H new ATOM 0 HA ILE A 443 10.071 -5.862 -5.659 1.00 0.00 H new ATOM 0 HB ILE A 443 7.048 -5.496 -5.544 1.00 0.00 H new ATOM 0 HG12 ILE A 443 8.975 -3.701 -7.012 1.00 0.00 H new ATOM 0 HG13 ILE A 443 8.388 -5.162 -7.780 1.00 0.00 H new ATOM 0 HG21 ILE A 443 7.579 -3.269 -4.628 1.00 0.00 H new ATOM 0 HG22 ILE A 443 8.181 -4.575 -3.579 1.00 0.00 H new ATOM 0 HG23 ILE A 443 9.309 -3.686 -4.629 1.00 0.00 H new ATOM 0 HD11 ILE A 443 7.025 -3.232 -8.412 1.00 0.00 H new ATOM 0 HD12 ILE A 443 6.059 -4.401 -7.480 1.00 0.00 H new ATOM 0 HD13 ILE A 443 6.655 -2.916 -6.700 1.00 0.00 H new ATOM 1242 N TYR A 444 8.076 -7.980 -4.168 1.00 0.00 N ATOM 1243 CA TYR A 444 7.844 -8.722 -2.934 1.00 0.00 C ATOM 1244 C TYR A 444 8.872 -9.837 -2.770 1.00 0.00 C ATOM 1245 O TYR A 444 9.338 -10.107 -1.664 1.00 0.00 O ATOM 1246 CB TYR A 444 6.432 -9.307 -2.922 1.00 0.00 C ATOM 1247 CG TYR A 444 5.343 -8.272 -2.738 1.00 0.00 C ATOM 1248 CD1 TYR A 444 5.495 -7.228 -1.834 1.00 0.00 C ATOM 1249 CD2 TYR A 444 4.164 -8.342 -3.468 1.00 0.00 C ATOM 1250 CE1 TYR A 444 4.502 -6.283 -1.662 1.00 0.00 C ATOM 1251 CE2 TYR A 444 3.166 -7.399 -3.302 1.00 0.00 C ATOM 1252 CZ TYR A 444 3.340 -6.372 -2.398 1.00 0.00 C ATOM 1253 OH TYR A 444 2.349 -5.434 -2.229 1.00 0.00 O ATOM 0 H TYR A 444 7.551 -8.325 -4.972 1.00 0.00 H new ATOM 0 HA TYR A 444 7.948 -8.030 -2.098 1.00 0.00 H new ATOM 0 HB2 TYR A 444 6.261 -9.838 -3.858 1.00 0.00 H new ATOM 0 HB3 TYR A 444 6.360 -10.042 -2.121 1.00 0.00 H new ATOM 0 HD1 TYR A 444 6.404 -7.154 -1.256 1.00 0.00 H new ATOM 0 HD2 TYR A 444 4.024 -9.145 -4.176 1.00 0.00 H new ATOM 0 HE1 TYR A 444 4.636 -5.478 -0.954 1.00 0.00 H new ATOM 0 HE2 TYR A 444 2.255 -7.467 -3.878 1.00 0.00 H new ATOM 0 HH TYR A 444 2.275 -5.204 -1.279 1.00 0.00 H new ATOM 1263 N GLN A 445 9.221 -10.480 -3.880 1.00 0.00 N ATOM 1264 CA GLN A 445 10.193 -11.567 -3.858 1.00 0.00 C ATOM 1265 C GLN A 445 11.568 -11.079 -4.306 1.00 0.00 C ATOM 1266 O GLN A 445 12.368 -11.849 -4.836 1.00 0.00 O ATOM 1267 CB GLN A 445 9.727 -12.715 -4.754 1.00 0.00 C ATOM 1268 CG GLN A 445 8.972 -13.801 -4.007 1.00 0.00 C ATOM 1269 CD GLN A 445 8.058 -14.605 -4.913 1.00 0.00 C ATOM 1270 OE1 GLN A 445 8.513 -15.248 -5.858 1.00 0.00 O ATOM 1271 NE2 GLN A 445 6.764 -14.571 -4.626 1.00 0.00 N ATOM 0 H GLN A 445 8.846 -10.267 -4.804 1.00 0.00 H new ATOM 0 HA GLN A 445 10.274 -11.927 -2.832 1.00 0.00 H new ATOM 0 HB2 GLN A 445 9.087 -12.314 -5.540 1.00 0.00 H new ATOM 0 HB3 GLN A 445 10.594 -13.158 -5.243 1.00 0.00 H new ATOM 0 HG2 GLN A 445 9.686 -14.472 -3.530 1.00 0.00 H new ATOM 0 HG3 GLN A 445 8.381 -13.346 -3.212 1.00 0.00 H new ATOM 0 HE21 GLN A 445 6.432 -14.024 -3.832 1.00 0.00 H new ATOM 0 HE22 GLN A 445 6.101 -15.092 -5.199 1.00 0.00 H new