USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 470 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 NoAdj-H: A 465 HIS HE2 : A 465 HIS NE2 : A 502 ZNZN :(H bumps) USER MOD NoAdj-H: A 473 HIS HD1 : A 473 HIS ND1 : A 502 ZNZN :(H bumps) USER MOD Single : A 429 TYR OH : rot 180:sc= 0 USER MOD Single : A 433 SER OG : rot -30:sc= 0.297 USER MOD Single : A 436 HIS : no HD1:sc= 1.05 K(o=1,f=-5!) USER MOD Single : A 439 SER OG : rot 180:sc= -0.0824 USER MOD Single : A 440 SER OG : rot 53:sc= 0.252 USER MOD Single : A 441 GLN : amide:sc= 0.716 K(o=0.72,f=-0.076) USER MOD Single : A 450 GLN : amide:sc= -0.284 K(o=-0.28,f=-1.6) USER MOD Single : A 454 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 455 TYR OH : rot 180:sc= 0.693 USER MOD Single : A 459 SER OG : rot 180:sc= 0 USER MOD Single : A 462 HIS : no HD1:sc=-0.00206 X(o=-0.0021,f=-0.082) USER MOD Single : A 466 SER OG : rot -40:sc= 0.811 USER MOD Single : A 467 MET CE :methyl 159:sc= -0.15 (180deg=-1.17) USER MOD Single : A 472 HIS : no HD1:sc= -0.081 K(o=-0.081,f=-2.5!) USER MOD Single : A 474 SER OG : rot 180:sc=-0.00893 USER MOD Single : A 477 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 479 ASN : amide:sc= -0.302 K(o=-0.3,f=-3.4!) USER MOD Single : A 480 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 481 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 482 ASN : amide:sc= 0.172 K(o=0.17,f=-3.9!) USER MOD Single : A 485 SER OG : rot 180:sc= 0 USER MOD Single : A 486 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 426 31.618 -3.308 4.033 1.00 0.00 N ATOM 2 CA ILE A 426 31.057 -4.667 4.168 1.00 0.00 C ATOM 3 C ILE A 426 29.538 -4.644 4.025 1.00 0.00 C ATOM 4 O ILE A 426 28.922 -3.580 4.101 1.00 0.00 O ATOM 5 CB ILE A 426 31.467 -5.319 5.496 1.00 0.00 C ATOM 6 CG1 ILE A 426 30.962 -4.506 6.701 1.00 0.00 C ATOM 7 CG2 ILE A 426 32.990 -5.475 5.541 1.00 0.00 C ATOM 8 CD1 ILE A 426 31.273 -5.192 8.028 1.00 0.00 C ATOM 0 HA ILE A 426 31.470 -5.273 3.362 1.00 0.00 H new ATOM 0 HB ILE A 426 31.005 -6.304 5.557 1.00 0.00 H new ATOM 0 HG12 ILE A 426 31.421 -3.517 6.688 1.00 0.00 H new ATOM 0 HG13 ILE A 426 29.886 -4.359 6.613 1.00 0.00 H new ATOM 0 HG21 ILE A 426 33.281 -5.938 6.484 1.00 0.00 H new ATOM 0 HG22 ILE A 426 33.316 -6.104 4.712 1.00 0.00 H new ATOM 0 HG23 ILE A 426 33.459 -4.494 5.459 1.00 0.00 H new ATOM 0 HD11 ILE A 426 30.898 -4.582 8.850 1.00 0.00 H new ATOM 0 HD12 ILE A 426 30.792 -6.170 8.053 1.00 0.00 H new ATOM 0 HD13 ILE A 426 32.351 -5.315 8.130 1.00 0.00 H new ATOM 22 N ASP A 427 28.929 -5.815 3.824 1.00 0.00 N ATOM 23 CA ASP A 427 27.487 -5.946 3.674 1.00 0.00 C ATOM 24 C ASP A 427 27.034 -7.290 4.258 1.00 0.00 C ATOM 25 O ASP A 427 27.709 -8.298 4.054 1.00 0.00 O ATOM 26 CB ASP A 427 27.127 -5.821 2.193 1.00 0.00 C ATOM 27 CG ASP A 427 25.622 -5.749 1.960 1.00 0.00 C ATOM 28 OD1 ASP A 427 25.008 -6.830 1.820 1.00 0.00 O ATOM 29 OD2 ASP A 427 25.096 -4.615 1.925 1.00 0.00 O ATOM 0 H ASP A 427 29.430 -6.701 3.761 1.00 0.00 H new ATOM 0 HA ASP A 427 26.971 -5.155 4.218 1.00 0.00 H new ATOM 0 HB2 ASP A 427 27.598 -4.928 1.783 1.00 0.00 H new ATOM 0 HB3 ASP A 427 27.535 -6.674 1.650 1.00 0.00 H new ATOM 34 N PRO A 428 25.906 -7.334 4.985 1.00 0.00 N ATOM 35 CA PRO A 428 25.414 -8.541 5.633 1.00 0.00 C ATOM 36 C PRO A 428 24.822 -9.543 4.640 1.00 0.00 C ATOM 37 O PRO A 428 24.492 -10.661 5.033 1.00 0.00 O ATOM 38 CB PRO A 428 24.358 -8.044 6.619 1.00 0.00 C ATOM 39 CG PRO A 428 23.787 -6.815 5.913 1.00 0.00 C ATOM 40 CD PRO A 428 25.031 -6.209 5.259 1.00 0.00 C ATOM 0 HA PRO A 428 26.221 -9.086 6.123 1.00 0.00 H new ATOM 0 HB2 PRO A 428 23.592 -8.797 6.804 1.00 0.00 H new ATOM 0 HB3 PRO A 428 24.794 -7.789 7.585 1.00 0.00 H new ATOM 0 HG2 PRO A 428 23.030 -7.084 5.176 1.00 0.00 H new ATOM 0 HG3 PRO A 428 23.318 -6.124 6.614 1.00 0.00 H new ATOM 0 HD2 PRO A 428 24.774 -5.678 4.342 1.00 0.00 H new ATOM 0 HD3 PRO A 428 25.512 -5.489 5.921 1.00 0.00 H new ATOM 48 N TYR A 429 24.684 -9.160 3.363 1.00 0.00 N ATOM 49 CA TYR A 429 24.126 -9.998 2.309 1.00 0.00 C ATOM 50 C TYR A 429 22.712 -10.505 2.619 1.00 0.00 C ATOM 51 O TYR A 429 22.255 -11.488 2.033 1.00 0.00 O ATOM 52 CB TYR A 429 25.119 -11.116 1.963 1.00 0.00 C ATOM 53 CG TYR A 429 24.807 -11.847 0.673 1.00 0.00 C ATOM 54 CD1 TYR A 429 24.894 -11.166 -0.551 1.00 0.00 C ATOM 55 CD2 TYR A 429 24.430 -13.196 0.701 1.00 0.00 C ATOM 56 CE1 TYR A 429 24.603 -11.832 -1.746 1.00 0.00 C ATOM 57 CE2 TYR A 429 24.135 -13.871 -0.493 1.00 0.00 C ATOM 58 CZ TYR A 429 24.218 -13.190 -1.724 1.00 0.00 C ATOM 59 OH TYR A 429 23.930 -13.832 -2.888 1.00 0.00 O ATOM 0 H TYR A 429 24.966 -8.237 3.034 1.00 0.00 H new ATOM 0 HA TYR A 429 23.989 -9.383 1.420 1.00 0.00 H new ATOM 0 HB2 TYR A 429 26.119 -10.689 1.893 1.00 0.00 H new ATOM 0 HB3 TYR A 429 25.137 -11.837 2.781 1.00 0.00 H new ATOM 0 HD1 TYR A 429 25.186 -10.126 -0.570 1.00 0.00 H new ATOM 0 HD2 TYR A 429 24.366 -13.718 1.644 1.00 0.00 H new ATOM 0 HE1 TYR A 429 24.673 -11.307 -2.687 1.00 0.00 H new ATOM 0 HE2 TYR A 429 23.845 -14.911 -0.469 1.00 0.00 H new ATOM 0 HH TYR A 429 23.684 -14.761 -2.697 1.00 0.00 H new ATOM 69 N LEU A 430 22.009 -9.841 3.541 1.00 0.00 N ATOM 70 CA LEU A 430 20.634 -10.190 3.882 1.00 0.00 C ATOM 71 C LEU A 430 19.651 -9.497 2.936 1.00 0.00 C ATOM 72 O LEU A 430 19.980 -8.494 2.304 1.00 0.00 O ATOM 73 CB LEU A 430 20.342 -9.809 5.338 1.00 0.00 C ATOM 74 CG LEU A 430 21.193 -10.599 6.338 1.00 0.00 C ATOM 75 CD1 LEU A 430 20.881 -10.109 7.749 1.00 0.00 C ATOM 76 CD2 LEU A 430 20.891 -12.097 6.260 1.00 0.00 C ATOM 0 H LEU A 430 22.379 -9.050 4.068 1.00 0.00 H new ATOM 0 HA LEU A 430 20.509 -11.267 3.770 1.00 0.00 H new ATOM 0 HB2 LEU A 430 20.525 -8.743 5.474 1.00 0.00 H new ATOM 0 HB3 LEU A 430 19.287 -9.981 5.550 1.00 0.00 H new ATOM 0 HG LEU A 430 22.244 -10.443 6.095 1.00 0.00 H new ATOM 0 HD11 LEU A 430 21.482 -10.665 8.469 1.00 0.00 H new ATOM 0 HD12 LEU A 430 21.114 -9.047 7.825 1.00 0.00 H new ATOM 0 HD13 LEU A 430 19.823 -10.264 7.963 1.00 0.00 H new ATOM 0 HD21 LEU A 430 21.510 -12.631 6.981 1.00 0.00 H new ATOM 0 HD22 LEU A 430 19.839 -12.268 6.488 1.00 0.00 H new ATOM 0 HD23 LEU A 430 21.109 -12.460 5.256 1.00 0.00 H new ATOM 88 N GLU A 431 18.435 -10.041 2.846 1.00 0.00 N ATOM 89 CA GLU A 431 17.381 -9.504 2.001 1.00 0.00 C ATOM 90 C GLU A 431 16.020 -9.819 2.622 1.00 0.00 C ATOM 91 O GLU A 431 15.885 -10.775 3.390 1.00 0.00 O ATOM 92 CB GLU A 431 17.505 -10.111 0.598 1.00 0.00 C ATOM 93 CG GLU A 431 16.539 -9.476 -0.407 1.00 0.00 C ATOM 94 CD GLU A 431 16.793 -7.979 -0.549 1.00 0.00 C ATOM 95 OE1 GLU A 431 17.631 -7.618 -1.405 1.00 0.00 O ATOM 96 OE2 GLU A 431 16.150 -7.206 0.197 1.00 0.00 O ATOM 0 H GLU A 431 18.158 -10.874 3.365 1.00 0.00 H new ATOM 0 HA GLU A 431 17.475 -8.421 1.920 1.00 0.00 H new ATOM 0 HB2 GLU A 431 18.528 -9.987 0.242 1.00 0.00 H new ATOM 0 HB3 GLU A 431 17.314 -11.183 0.652 1.00 0.00 H new ATOM 0 HG2 GLU A 431 16.650 -9.960 -1.377 1.00 0.00 H new ATOM 0 HG3 GLU A 431 15.512 -9.644 -0.083 1.00 0.00 H new ATOM 103 N ASP A 432 15.001 -9.016 2.297 1.00 0.00 N ATOM 104 CA ASP A 432 13.657 -9.201 2.830 1.00 0.00 C ATOM 105 C ASP A 432 12.602 -8.800 1.796 1.00 0.00 C ATOM 106 O ASP A 432 12.877 -8.019 0.889 1.00 0.00 O ATOM 107 CB ASP A 432 13.510 -8.384 4.117 1.00 0.00 C ATOM 108 CG ASP A 432 12.129 -8.555 4.749 1.00 0.00 C ATOM 109 OD1 ASP A 432 11.620 -9.698 4.730 1.00 0.00 O ATOM 110 OD2 ASP A 432 11.598 -7.539 5.244 1.00 0.00 O ATOM 0 H ASP A 432 15.089 -8.225 1.660 1.00 0.00 H new ATOM 0 HA ASP A 432 13.501 -10.255 3.059 1.00 0.00 H new ATOM 0 HB2 ASP A 432 14.275 -8.690 4.830 1.00 0.00 H new ATOM 0 HB3 ASP A 432 13.681 -7.330 3.899 1.00 0.00 H new ATOM 115 N SER A 433 11.392 -9.348 1.945 1.00 0.00 N ATOM 116 CA SER A 433 10.277 -9.089 1.048 1.00 0.00 C ATOM 117 C SER A 433 8.939 -9.150 1.796 1.00 0.00 C ATOM 118 O SER A 433 7.883 -8.976 1.187 1.00 0.00 O ATOM 119 CB SER A 433 10.325 -10.110 -0.091 1.00 0.00 C ATOM 120 OG SER A 433 9.422 -9.762 -1.120 1.00 0.00 O ATOM 0 H SER A 433 11.163 -9.991 2.703 1.00 0.00 H new ATOM 0 HA SER A 433 10.361 -8.082 0.638 1.00 0.00 H new ATOM 0 HB2 SER A 433 11.337 -10.165 -0.493 1.00 0.00 H new ATOM 0 HB3 SER A 433 10.081 -11.100 0.293 1.00 0.00 H new ATOM 0 HG SER A 433 8.656 -9.286 -0.736 1.00 0.00 H new ATOM 126 N LEU A 434 8.969 -9.394 3.112 1.00 0.00 N ATOM 127 CA LEU A 434 7.772 -9.498 3.927 1.00 0.00 C ATOM 128 C LEU A 434 7.105 -8.126 4.047 1.00 0.00 C ATOM 129 O LEU A 434 7.772 -7.102 3.900 1.00 0.00 O ATOM 130 CB LEU A 434 8.200 -10.042 5.295 1.00 0.00 C ATOM 131 CG LEU A 434 7.037 -10.399 6.214 1.00 0.00 C ATOM 132 CD1 LEU A 434 6.122 -11.455 5.603 1.00 0.00 C ATOM 133 CD2 LEU A 434 7.607 -10.961 7.513 1.00 0.00 C ATOM 0 H LEU A 434 9.834 -9.524 3.636 1.00 0.00 H new ATOM 0 HA LEU A 434 7.040 -10.170 3.479 1.00 0.00 H new ATOM 0 HB2 LEU A 434 8.816 -10.929 5.145 1.00 0.00 H new ATOM 0 HB3 LEU A 434 8.826 -9.299 5.790 1.00 0.00 H new ATOM 0 HG LEU A 434 6.451 -9.495 6.380 1.00 0.00 H new ATOM 0 HD11 LEU A 434 5.309 -11.676 6.295 1.00 0.00 H new ATOM 0 HD12 LEU A 434 5.710 -11.081 4.666 1.00 0.00 H new ATOM 0 HD13 LEU A 434 6.692 -12.364 5.411 1.00 0.00 H new ATOM 0 HD21 LEU A 434 6.790 -11.223 8.185 1.00 0.00 H new ATOM 0 HD22 LEU A 434 8.198 -11.851 7.296 1.00 0.00 H new ATOM 0 HD23 LEU A 434 8.241 -10.211 7.987 1.00 0.00 H new ATOM 145 N CYS A 435 5.795 -8.092 4.315 1.00 0.00 N ATOM 146 CA CYS A 435 5.087 -6.835 4.506 1.00 0.00 C ATOM 147 C CYS A 435 5.732 -6.057 5.656 1.00 0.00 C ATOM 148 O CYS A 435 6.168 -6.655 6.639 1.00 0.00 O ATOM 149 CB CYS A 435 3.608 -7.135 4.763 1.00 0.00 C ATOM 150 SG CYS A 435 2.724 -5.610 5.157 1.00 0.00 S ATOM 0 H CYS A 435 5.210 -8.923 4.403 1.00 0.00 H new ATOM 0 HA CYS A 435 5.153 -6.211 3.615 1.00 0.00 H new ATOM 0 HB2 CYS A 435 3.166 -7.604 3.884 1.00 0.00 H new ATOM 0 HB3 CYS A 435 3.510 -7.844 5.585 1.00 0.00 H new ATOM 155 N HIS A 436 5.796 -4.726 5.541 1.00 0.00 N ATOM 156 CA HIS A 436 6.485 -3.896 6.521 1.00 0.00 C ATOM 157 C HIS A 436 5.518 -3.119 7.413 1.00 0.00 C ATOM 158 O HIS A 436 5.961 -2.340 8.255 1.00 0.00 O ATOM 159 CB HIS A 436 7.458 -2.956 5.808 1.00 0.00 C ATOM 160 CG HIS A 436 8.641 -3.661 5.199 1.00 0.00 C ATOM 161 ND1 HIS A 436 9.411 -3.180 4.138 1.00 0.00 N ATOM 162 CD2 HIS A 436 9.143 -4.866 5.604 1.00 0.00 C ATOM 163 CE1 HIS A 436 10.363 -4.108 3.941 1.00 0.00 C ATOM 164 NE2 HIS A 436 10.224 -5.128 4.802 1.00 0.00 N ATOM 0 H HIS A 436 5.375 -4.203 4.773 1.00 0.00 H new ATOM 0 HA HIS A 436 7.045 -4.557 7.183 1.00 0.00 H new ATOM 0 HB2 HIS A 436 6.923 -2.419 5.025 1.00 0.00 H new ATOM 0 HB3 HIS A 436 7.816 -2.211 6.518 1.00 0.00 H new ATOM 0 HD2 HIS A 436 8.763 -5.490 6.400 1.00 0.00 H new ATOM 0 HE1 HIS A 436 11.136 -4.042 3.190 1.00 0.00 H new ATOM 0 HE2 HIS A 436 10.819 -5.955 4.851 1.00 0.00 H new ATOM 172 N ILE A 437 4.212 -3.322 7.244 1.00 0.00 N ATOM 173 CA ILE A 437 3.214 -2.650 8.067 1.00 0.00 C ATOM 174 C ILE A 437 2.544 -3.645 9.007 1.00 0.00 C ATOM 175 O ILE A 437 2.048 -3.253 10.065 1.00 0.00 O ATOM 176 CB ILE A 437 2.181 -1.967 7.162 1.00 0.00 C ATOM 177 CG1 ILE A 437 2.844 -0.973 6.202 1.00 0.00 C ATOM 178 CG2 ILE A 437 1.115 -1.250 7.996 1.00 0.00 C ATOM 179 CD1 ILE A 437 3.639 0.124 6.913 1.00 0.00 C ATOM 0 H ILE A 437 3.822 -3.950 6.541 1.00 0.00 H new ATOM 0 HA ILE A 437 3.701 -1.890 8.678 1.00 0.00 H new ATOM 0 HB ILE A 437 1.704 -2.748 6.571 1.00 0.00 H new ATOM 0 HG12 ILE A 437 3.510 -1.516 5.531 1.00 0.00 H new ATOM 0 HG13 ILE A 437 2.076 -0.510 5.583 1.00 0.00 H new ATOM 0 HG21 ILE A 437 0.394 -0.773 7.332 1.00 0.00 H new ATOM 0 HG22 ILE A 437 0.602 -1.973 8.630 1.00 0.00 H new ATOM 0 HG23 ILE A 437 1.590 -0.493 8.620 1.00 0.00 H new ATOM 0 HD11 ILE A 437 4.081 0.791 6.173 1.00 0.00 H new ATOM 0 HD12 ILE A 437 2.974 0.692 7.563 1.00 0.00 H new ATOM 0 HD13 ILE A 437 4.430 -0.329 7.511 1.00 0.00 H new ATOM 191 N CYS A 438 2.522 -4.926 8.629 1.00 0.00 N ATOM 192 CA CYS A 438 1.873 -5.960 9.421 1.00 0.00 C ATOM 193 C CYS A 438 2.597 -7.306 9.354 1.00 0.00 C ATOM 194 O CYS A 438 2.398 -8.138 10.239 1.00 0.00 O ATOM 195 CB CYS A 438 0.429 -6.089 8.934 1.00 0.00 C ATOM 196 SG CYS A 438 0.388 -6.258 7.127 1.00 0.00 S ATOM 0 H CYS A 438 2.952 -5.268 7.770 1.00 0.00 H new ATOM 0 HA CYS A 438 1.902 -5.666 10.470 1.00 0.00 H new ATOM 0 HB2 CYS A 438 -0.043 -6.955 9.398 1.00 0.00 H new ATOM 0 HB3 CYS A 438 -0.144 -5.213 9.237 1.00 0.00 H new ATOM 201 N SER A 439 3.427 -7.530 8.324 1.00 0.00 N ATOM 202 CA SER A 439 4.184 -8.770 8.132 1.00 0.00 C ATOM 203 C SER A 439 3.347 -10.039 8.330 1.00 0.00 C ATOM 204 O SER A 439 3.882 -11.093 8.669 1.00 0.00 O ATOM 205 CB SER A 439 5.480 -8.778 8.955 1.00 0.00 C ATOM 206 OG SER A 439 5.268 -8.317 10.275 1.00 0.00 O ATOM 0 H SER A 439 3.592 -6.841 7.590 1.00 0.00 H new ATOM 0 HA SER A 439 4.472 -8.787 7.081 1.00 0.00 H new ATOM 0 HB2 SER A 439 5.886 -9.789 8.984 1.00 0.00 H new ATOM 0 HB3 SER A 439 6.225 -8.150 8.466 1.00 0.00 H new ATOM 0 HG SER A 439 6.114 -8.338 10.769 1.00 0.00 H new ATOM 212 N SER A 440 2.028 -9.948 8.118 1.00 0.00 N ATOM 213 CA SER A 440 1.128 -11.076 8.290 1.00 0.00 C ATOM 214 C SER A 440 0.869 -11.797 6.967 1.00 0.00 C ATOM 215 O SER A 440 0.247 -12.856 6.953 1.00 0.00 O ATOM 216 CB SER A 440 -0.184 -10.580 8.891 1.00 0.00 C ATOM 217 OG SER A 440 0.015 -10.131 10.215 1.00 0.00 O ATOM 0 H SER A 440 1.564 -9.089 7.823 1.00 0.00 H new ATOM 0 HA SER A 440 1.596 -11.794 8.963 1.00 0.00 H new ATOM 0 HB2 SER A 440 -0.586 -9.770 8.283 1.00 0.00 H new ATOM 0 HB3 SER A 440 -0.922 -11.382 8.880 1.00 0.00 H new ATOM 0 HG SER A 440 0.745 -9.478 10.233 1.00 0.00 H new ATOM 223 N GLN A 441 1.345 -11.226 5.859 1.00 0.00 N ATOM 224 CA GLN A 441 1.241 -11.808 4.531 1.00 0.00 C ATOM 225 C GLN A 441 2.599 -11.689 3.843 1.00 0.00 C ATOM 226 O GLN A 441 3.420 -10.880 4.269 1.00 0.00 O ATOM 227 CB GLN A 441 0.150 -11.092 3.731 1.00 0.00 C ATOM 228 CG GLN A 441 -1.255 -11.403 4.248 1.00 0.00 C ATOM 229 CD GLN A 441 -1.670 -12.837 3.932 1.00 0.00 C ATOM 230 OE1 GLN A 441 -2.244 -13.105 2.880 1.00 0.00 O ATOM 231 NE2 GLN A 441 -1.386 -13.772 4.833 1.00 0.00 N ATOM 0 H GLN A 441 1.824 -10.325 5.866 1.00 0.00 H new ATOM 0 HA GLN A 441 0.965 -12.860 4.597 1.00 0.00 H new ATOM 0 HB2 GLN A 441 0.319 -10.016 3.774 1.00 0.00 H new ATOM 0 HB3 GLN A 441 0.221 -11.384 2.683 1.00 0.00 H new ATOM 0 HG2 GLN A 441 -1.289 -11.244 5.326 1.00 0.00 H new ATOM 0 HG3 GLN A 441 -1.969 -10.711 3.801 1.00 0.00 H new ATOM 0 HE21 GLN A 441 -0.908 -13.519 5.698 1.00 0.00 H new ATOM 0 HE22 GLN A 441 -1.646 -14.743 4.660 1.00 0.00 H new ATOM 240 N PRO A 442 2.849 -12.487 2.791 1.00 0.00 N ATOM 241 CA PRO A 442 4.136 -12.597 2.114 1.00 0.00 C ATOM 242 C PRO A 442 4.674 -11.297 1.515 1.00 0.00 C ATOM 243 O PRO A 442 5.739 -11.315 0.899 1.00 0.00 O ATOM 244 CB PRO A 442 3.927 -13.644 1.018 1.00 0.00 C ATOM 245 CG PRO A 442 2.742 -14.463 1.516 1.00 0.00 C ATOM 246 CD PRO A 442 1.891 -13.405 2.203 1.00 0.00 C ATOM 0 HA PRO A 442 4.895 -12.872 2.846 1.00 0.00 H new ATOM 0 HB2 PRO A 442 3.715 -13.178 0.056 1.00 0.00 H new ATOM 0 HB3 PRO A 442 4.813 -14.264 0.883 1.00 0.00 H new ATOM 0 HG2 PRO A 442 2.209 -14.947 0.698 1.00 0.00 H new ATOM 0 HG3 PRO A 442 3.050 -15.249 2.205 1.00 0.00 H new ATOM 0 HD2 PRO A 442 1.241 -12.897 1.491 1.00 0.00 H new ATOM 0 HD3 PRO A 442 1.247 -13.847 2.964 1.00 0.00 H new ATOM 254 N GLY A 443 3.965 -10.173 1.674 1.00 0.00 N ATOM 255 CA GLY A 443 4.367 -8.901 1.092 1.00 0.00 C ATOM 256 C GLY A 443 4.282 -8.958 -0.433 1.00 0.00 C ATOM 257 O GLY A 443 5.280 -8.711 -1.109 1.00 0.00 O ATOM 0 H GLY A 443 3.099 -10.127 2.210 1.00 0.00 H new ATOM 0 HA2 GLY A 443 3.726 -8.104 1.468 1.00 0.00 H new ATOM 0 HA3 GLY A 443 5.386 -8.661 1.396 1.00 0.00 H new ATOM 261 N PRO A 444 3.102 -9.280 -0.988 1.00 0.00 N ATOM 262 CA PRO A 444 2.907 -9.503 -2.410 1.00 0.00 C ATOM 263 C PRO A 444 2.967 -8.200 -3.210 1.00 0.00 C ATOM 264 O PRO A 444 2.981 -8.245 -4.440 1.00 0.00 O ATOM 265 CB PRO A 444 1.518 -10.131 -2.520 1.00 0.00 C ATOM 266 CG PRO A 444 0.775 -9.498 -1.348 1.00 0.00 C ATOM 267 CD PRO A 444 1.853 -9.450 -0.270 1.00 0.00 C ATOM 0 HA PRO A 444 3.692 -10.138 -2.820 1.00 0.00 H new ATOM 0 HB2 PRO A 444 1.043 -9.901 -3.474 1.00 0.00 H new ATOM 0 HB3 PRO A 444 1.556 -11.217 -2.437 1.00 0.00 H new ATOM 0 HG2 PRO A 444 0.400 -8.504 -1.593 1.00 0.00 H new ATOM 0 HG3 PRO A 444 -0.083 -10.096 -1.039 1.00 0.00 H new ATOM 0 HD2 PRO A 444 1.681 -8.626 0.422 1.00 0.00 H new ATOM 0 HD3 PRO A 444 1.860 -10.366 0.321 1.00 0.00 H new ATOM 275 N PHE A 445 3.003 -7.052 -2.531 1.00 0.00 N ATOM 276 CA PHE A 445 3.012 -5.755 -3.186 1.00 0.00 C ATOM 277 C PHE A 445 4.164 -4.878 -2.699 1.00 0.00 C ATOM 278 O PHE A 445 4.666 -5.049 -1.590 1.00 0.00 O ATOM 279 CB PHE A 445 1.671 -5.061 -2.949 1.00 0.00 C ATOM 280 CG PHE A 445 0.462 -5.898 -3.315 1.00 0.00 C ATOM 281 CD1 PHE A 445 0.314 -6.392 -4.617 1.00 0.00 C ATOM 282 CD2 PHE A 445 -0.510 -6.187 -2.351 1.00 0.00 C ATOM 283 CE1 PHE A 445 -0.808 -7.162 -4.957 1.00 0.00 C ATOM 284 CE2 PHE A 445 -1.634 -6.955 -2.687 1.00 0.00 C ATOM 285 CZ PHE A 445 -1.785 -7.440 -3.993 1.00 0.00 C ATOM 0 H PHE A 445 3.027 -7.002 -1.513 1.00 0.00 H new ATOM 0 HA PHE A 445 3.162 -5.912 -4.254 1.00 0.00 H new ATOM 0 HB2 PHE A 445 1.600 -4.782 -1.898 1.00 0.00 H new ATOM 0 HB3 PHE A 445 1.647 -4.137 -3.526 1.00 0.00 H new ATOM 0 HD1 PHE A 445 1.066 -6.179 -5.362 1.00 0.00 H new ATOM 0 HD2 PHE A 445 -0.394 -5.817 -1.343 1.00 0.00 H new ATOM 0 HE1 PHE A 445 -0.918 -7.541 -5.962 1.00 0.00 H new ATOM 0 HE2 PHE A 445 -2.383 -7.173 -1.940 1.00 0.00 H new ATOM 0 HZ PHE A 445 -2.653 -8.027 -4.255 1.00 0.00 H new ATOM 295 N PHE A 446 4.574 -3.935 -3.550 1.00 0.00 N ATOM 296 CA PHE A 446 5.611 -2.957 -3.245 1.00 0.00 C ATOM 297 C PHE A 446 5.299 -1.662 -3.987 1.00 0.00 C ATOM 298 O PHE A 446 4.676 -1.697 -5.050 1.00 0.00 O ATOM 299 CB PHE A 446 6.963 -3.520 -3.679 1.00 0.00 C ATOM 300 CG PHE A 446 8.134 -2.593 -3.440 1.00 0.00 C ATOM 301 CD1 PHE A 446 8.721 -2.527 -2.167 1.00 0.00 C ATOM 302 CD2 PHE A 446 8.637 -1.797 -4.481 1.00 0.00 C ATOM 303 CE1 PHE A 446 9.810 -1.674 -1.936 1.00 0.00 C ATOM 304 CE2 PHE A 446 9.727 -0.947 -4.252 1.00 0.00 C ATOM 305 CZ PHE A 446 10.314 -0.886 -2.981 1.00 0.00 C ATOM 0 H PHE A 446 4.185 -3.831 -4.487 1.00 0.00 H new ATOM 0 HA PHE A 446 5.645 -2.749 -2.175 1.00 0.00 H new ATOM 0 HB2 PHE A 446 7.141 -4.454 -3.147 1.00 0.00 H new ATOM 0 HB3 PHE A 446 6.918 -3.762 -4.741 1.00 0.00 H new ATOM 0 HD1 PHE A 446 8.333 -3.135 -1.363 1.00 0.00 H new ATOM 0 HD2 PHE A 446 8.183 -1.840 -5.460 1.00 0.00 H new ATOM 0 HE1 PHE A 446 10.260 -1.624 -0.955 1.00 0.00 H new ATOM 0 HE2 PHE A 446 10.115 -0.338 -5.055 1.00 0.00 H new ATOM 0 HZ PHE A 446 11.155 -0.232 -2.806 1.00 0.00 H new ATOM 315 N CYS A 447 5.728 -0.524 -3.438 1.00 0.00 N ATOM 316 CA CYS A 447 5.505 0.776 -4.049 1.00 0.00 C ATOM 317 C CYS A 447 6.829 1.536 -4.117 1.00 0.00 C ATOM 318 O CYS A 447 7.746 1.257 -3.342 1.00 0.00 O ATOM 319 CB CYS A 447 4.416 1.521 -3.272 1.00 0.00 C ATOM 320 SG CYS A 447 3.723 2.841 -4.293 1.00 0.00 S ATOM 0 H CYS A 447 6.240 -0.484 -2.557 1.00 0.00 H new ATOM 0 HA CYS A 447 5.147 0.672 -5.073 1.00 0.00 H new ATOM 0 HB2 CYS A 447 3.629 0.827 -2.977 1.00 0.00 H new ATOM 0 HB3 CYS A 447 4.833 1.939 -2.356 1.00 0.00 H new ATOM 325 N ARG A 448 6.940 2.496 -5.042 1.00 0.00 N ATOM 326 CA ARG A 448 8.214 3.134 -5.355 1.00 0.00 C ATOM 327 C ARG A 448 8.262 4.622 -5.004 1.00 0.00 C ATOM 328 O ARG A 448 9.251 5.285 -5.310 1.00 0.00 O ATOM 329 CB ARG A 448 8.559 2.889 -6.827 1.00 0.00 C ATOM 330 CG ARG A 448 7.528 3.538 -7.756 1.00 0.00 C ATOM 331 CD ARG A 448 7.861 3.211 -9.210 1.00 0.00 C ATOM 332 NE ARG A 448 9.140 3.807 -9.618 1.00 0.00 N ATOM 333 CZ ARG A 448 9.727 3.587 -10.799 1.00 0.00 C ATOM 334 NH1 ARG A 448 9.165 2.792 -11.703 1.00 0.00 N ATOM 335 NH2 ARG A 448 10.890 4.171 -11.079 1.00 0.00 N ATOM 0 H ARG A 448 6.153 2.847 -5.588 1.00 0.00 H new ATOM 0 HA ARG A 448 8.971 2.673 -4.720 1.00 0.00 H new ATOM 0 HB2 ARG A 448 9.549 3.290 -7.042 1.00 0.00 H new ATOM 0 HB3 ARG A 448 8.601 1.817 -7.019 1.00 0.00 H new ATOM 0 HG2 ARG A 448 6.528 3.178 -7.513 1.00 0.00 H new ATOM 0 HG3 ARG A 448 7.522 4.618 -7.609 1.00 0.00 H new ATOM 0 HD2 ARG A 448 7.905 2.130 -9.340 1.00 0.00 H new ATOM 0 HD3 ARG A 448 7.065 3.578 -9.858 1.00 0.00 H new ATOM 0 HE ARG A 448 9.610 4.428 -8.959 1.00 0.00 H new ATOM 0 HH11 ARG A 448 8.273 2.340 -11.501 1.00 0.00 H new ATOM 0 HH12 ARG A 448 9.625 2.634 -12.600 1.00 0.00 H new ATOM 0 HH21 ARG A 448 11.331 4.784 -10.393 1.00 0.00 H new ATOM 0 HH22 ARG A 448 11.340 4.005 -11.979 1.00 0.00 H new ATOM 349 N ASP A 449 7.220 5.158 -4.369 1.00 0.00 N ATOM 350 CA ASP A 449 7.183 6.559 -3.971 1.00 0.00 C ATOM 351 C ASP A 449 7.825 6.761 -2.599 1.00 0.00 C ATOM 352 O ASP A 449 7.942 5.822 -1.812 1.00 0.00 O ATOM 353 CB ASP A 449 5.740 7.057 -3.993 1.00 0.00 C ATOM 354 CG ASP A 449 5.245 7.251 -5.427 1.00 0.00 C ATOM 355 OD1 ASP A 449 5.145 6.240 -6.155 1.00 0.00 O ATOM 356 OD2 ASP A 449 4.970 8.423 -5.780 1.00 0.00 O ATOM 0 H ASP A 449 6.382 4.633 -4.118 1.00 0.00 H new ATOM 0 HA ASP A 449 7.765 7.145 -4.682 1.00 0.00 H new ATOM 0 HB2 ASP A 449 5.098 6.343 -3.477 1.00 0.00 H new ATOM 0 HB3 ASP A 449 5.669 8.000 -3.450 1.00 0.00 H new ATOM 361 N GLN A 450 8.240 7.995 -2.309 1.00 0.00 N ATOM 362 CA GLN A 450 8.955 8.321 -1.079 1.00 0.00 C ATOM 363 C GLN A 450 8.037 8.262 0.148 1.00 0.00 C ATOM 364 O GLN A 450 8.506 8.421 1.274 1.00 0.00 O ATOM 365 CB GLN A 450 9.595 9.704 -1.257 1.00 0.00 C ATOM 366 CG GLN A 450 10.593 10.072 -0.156 1.00 0.00 C ATOM 367 CD GLN A 450 11.795 9.133 -0.099 1.00 0.00 C ATOM 368 OE1 GLN A 450 12.019 8.327 -0.999 1.00 0.00 O ATOM 369 NE2 GLN A 450 12.584 9.228 0.967 1.00 0.00 N ATOM 0 H GLN A 450 8.089 8.796 -2.922 1.00 0.00 H new ATOM 0 HA GLN A 450 9.733 7.580 -0.895 1.00 0.00 H new ATOM 0 HB2 GLN A 450 10.104 9.737 -2.221 1.00 0.00 H new ATOM 0 HB3 GLN A 450 8.807 10.457 -1.286 1.00 0.00 H new ATOM 0 HG2 GLN A 450 10.943 11.091 -0.317 1.00 0.00 H new ATOM 0 HG3 GLN A 450 10.083 10.059 0.807 1.00 0.00 H new ATOM 0 HE21 GLN A 450 12.373 9.907 1.699 1.00 0.00 H new ATOM 0 HE22 GLN A 450 13.400 8.622 1.053 1.00 0.00 H new ATOM 378 N VAL A 451 6.736 8.035 -0.053 1.00 0.00 N ATOM 379 CA VAL A 451 5.768 7.962 1.037 1.00 0.00 C ATOM 380 C VAL A 451 5.325 6.526 1.301 1.00 0.00 C ATOM 381 O VAL A 451 4.595 6.279 2.261 1.00 0.00 O ATOM 382 CB VAL A 451 4.568 8.872 0.741 1.00 0.00 C ATOM 383 CG1 VAL A 451 5.025 10.327 0.643 1.00 0.00 C ATOM 384 CG2 VAL A 451 3.877 8.477 -0.560 1.00 0.00 C ATOM 0 H VAL A 451 6.327 7.897 -0.977 1.00 0.00 H new ATOM 0 HA VAL A 451 6.253 8.316 1.947 1.00 0.00 H new ATOM 0 HB VAL A 451 3.858 8.759 1.560 1.00 0.00 H new ATOM 0 HG11 VAL A 451 4.166 10.965 0.433 1.00 0.00 H new ATOM 0 HG12 VAL A 451 5.480 10.630 1.586 1.00 0.00 H new ATOM 0 HG13 VAL A 451 5.755 10.426 -0.160 1.00 0.00 H new ATOM 0 HG21 VAL A 451 3.032 9.142 -0.739 1.00 0.00 H new ATOM 0 HG22 VAL A 451 4.583 8.557 -1.386 1.00 0.00 H new ATOM 0 HG23 VAL A 451 3.521 7.449 -0.486 1.00 0.00 H new ATOM 394 N CYS A 452 5.761 5.576 0.468 1.00 0.00 N ATOM 395 CA CYS A 452 5.432 4.167 0.633 1.00 0.00 C ATOM 396 C CYS A 452 6.521 3.283 0.010 1.00 0.00 C ATOM 397 O CYS A 452 6.228 2.293 -0.657 1.00 0.00 O ATOM 398 CB CYS A 452 4.031 3.896 0.066 1.00 0.00 C ATOM 399 SG CYS A 452 3.853 4.598 -1.597 1.00 0.00 S ATOM 0 H CYS A 452 6.353 5.769 -0.340 1.00 0.00 H new ATOM 0 HA CYS A 452 5.405 3.911 1.692 1.00 0.00 H new ATOM 0 HB2 CYS A 452 3.851 2.822 0.032 1.00 0.00 H new ATOM 0 HB3 CYS A 452 3.278 4.325 0.728 1.00 0.00 H new ATOM 404 N PHE A 453 7.788 3.643 0.227 1.00 0.00 N ATOM 405 CA PHE A 453 8.950 2.951 -0.324 1.00 0.00 C ATOM 406 C PHE A 453 9.200 1.579 0.323 1.00 0.00 C ATOM 407 O PHE A 453 10.346 1.140 0.425 1.00 0.00 O ATOM 408 CB PHE A 453 10.177 3.862 -0.203 1.00 0.00 C ATOM 409 CG PHE A 453 10.528 4.246 1.220 1.00 0.00 C ATOM 410 CD1 PHE A 453 9.871 5.316 1.841 1.00 0.00 C ATOM 411 CD2 PHE A 453 11.509 3.530 1.921 1.00 0.00 C ATOM 412 CE1 PHE A 453 10.190 5.669 3.160 1.00 0.00 C ATOM 413 CE2 PHE A 453 11.832 3.886 3.240 1.00 0.00 C ATOM 414 CZ PHE A 453 11.169 4.953 3.860 1.00 0.00 C ATOM 0 H PHE A 453 8.038 4.445 0.806 1.00 0.00 H new ATOM 0 HA PHE A 453 8.750 2.741 -1.375 1.00 0.00 H new ATOM 0 HB2 PHE A 453 11.033 3.361 -0.654 1.00 0.00 H new ATOM 0 HB3 PHE A 453 9.999 4.770 -0.779 1.00 0.00 H new ATOM 0 HD1 PHE A 453 9.117 5.871 1.302 1.00 0.00 H new ATOM 0 HD2 PHE A 453 12.017 2.704 1.446 1.00 0.00 H new ATOM 0 HE1 PHE A 453 9.680 6.494 3.636 1.00 0.00 H new ATOM 0 HE2 PHE A 453 12.592 3.337 3.777 1.00 0.00 H new ATOM 0 HZ PHE A 453 11.413 5.223 4.877 1.00 0.00 H new ATOM 424 N LYS A 454 8.138 0.897 0.764 1.00 0.00 N ATOM 425 CA LYS A 454 8.234 -0.357 1.502 1.00 0.00 C ATOM 426 C LYS A 454 7.352 -1.438 0.877 1.00 0.00 C ATOM 427 O LYS A 454 6.646 -1.187 -0.097 1.00 0.00 O ATOM 428 CB LYS A 454 7.838 -0.102 2.960 1.00 0.00 C ATOM 429 CG LYS A 454 8.797 0.888 3.624 1.00 0.00 C ATOM 430 CD LYS A 454 8.427 1.073 5.096 1.00 0.00 C ATOM 431 CE LYS A 454 9.391 2.074 5.735 1.00 0.00 C ATOM 432 NZ LYS A 454 9.073 2.288 7.158 1.00 0.00 N ATOM 0 H LYS A 454 7.178 1.208 0.614 1.00 0.00 H new ATOM 0 HA LYS A 454 9.261 -0.721 1.460 1.00 0.00 H new ATOM 0 HB2 LYS A 454 6.821 0.288 3.001 1.00 0.00 H new ATOM 0 HB3 LYS A 454 7.841 -1.042 3.511 1.00 0.00 H new ATOM 0 HG2 LYS A 454 9.821 0.525 3.542 1.00 0.00 H new ATOM 0 HG3 LYS A 454 8.757 1.847 3.108 1.00 0.00 H new ATOM 0 HD2 LYS A 454 7.401 1.431 5.183 1.00 0.00 H new ATOM 0 HD3 LYS A 454 8.477 0.118 5.619 1.00 0.00 H new ATOM 0 HE2 LYS A 454 10.414 1.709 5.639 1.00 0.00 H new ATOM 0 HE3 LYS A 454 9.340 3.023 5.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 454 9.743 2.971 7.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 454 8.105 2.658 7.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 454 9.146 1.385 7.670 1.00 0.00 H new ATOM 446 N TYR A 455 7.398 -2.648 1.443 1.00 0.00 N ATOM 447 CA TYR A 455 6.550 -3.751 1.013 1.00 0.00 C ATOM 448 C TYR A 455 5.224 -3.730 1.769 1.00 0.00 C ATOM 449 O TYR A 455 5.151 -3.263 2.905 1.00 0.00 O ATOM 450 CB TYR A 455 7.275 -5.084 1.214 1.00 0.00 C ATOM 451 CG TYR A 455 8.366 -5.327 0.201 1.00 0.00 C ATOM 452 CD1 TYR A 455 8.056 -5.981 -1.001 1.00 0.00 C ATOM 453 CD2 TYR A 455 9.681 -4.902 0.450 1.00 0.00 C ATOM 454 CE1 TYR A 455 9.053 -6.201 -1.960 1.00 0.00 C ATOM 455 CE2 TYR A 455 10.688 -5.124 -0.501 1.00 0.00 C ATOM 456 CZ TYR A 455 10.374 -5.777 -1.712 1.00 0.00 C ATOM 457 OH TYR A 455 11.347 -5.997 -2.646 1.00 0.00 O ATOM 0 H TYR A 455 8.026 -2.885 2.211 1.00 0.00 H new ATOM 0 HA TYR A 455 6.334 -3.636 -0.049 1.00 0.00 H new ATOM 0 HB2 TYR A 455 7.706 -5.108 2.215 1.00 0.00 H new ATOM 0 HB3 TYR A 455 6.550 -5.896 1.159 1.00 0.00 H new ATOM 0 HD1 TYR A 455 7.046 -6.316 -1.187 1.00 0.00 H new ATOM 0 HD2 TYR A 455 9.918 -4.402 1.378 1.00 0.00 H new ATOM 0 HE1 TYR A 455 8.810 -6.695 -2.889 1.00 0.00 H new ATOM 0 HE2 TYR A 455 11.699 -4.797 -0.307 1.00 0.00 H new ATOM 0 HH TYR A 455 12.200 -5.642 -2.319 1.00 0.00 H new ATOM 467 N PHE A 456 4.174 -4.244 1.123 1.00 0.00 N ATOM 468 CA PHE A 456 2.826 -4.250 1.669 1.00 0.00 C ATOM 469 C PHE A 456 2.069 -5.497 1.226 1.00 0.00 C ATOM 470 O PHE A 456 2.542 -6.276 0.402 1.00 0.00 O ATOM 471 CB PHE A 456 2.060 -3.025 1.159 1.00 0.00 C ATOM 472 CG PHE A 456 2.654 -1.678 1.506 1.00 0.00 C ATOM 473 CD1 PHE A 456 3.587 -1.081 0.649 1.00 0.00 C ATOM 474 CD2 PHE A 456 2.262 -1.018 2.680 1.00 0.00 C ATOM 475 CE1 PHE A 456 4.125 0.174 0.964 1.00 0.00 C ATOM 476 CE2 PHE A 456 2.800 0.238 2.992 1.00 0.00 C ATOM 477 CZ PHE A 456 3.733 0.832 2.136 1.00 0.00 C ATOM 0 H PHE A 456 4.243 -4.670 0.199 1.00 0.00 H new ATOM 0 HA PHE A 456 2.902 -4.234 2.756 1.00 0.00 H new ATOM 0 HB2 PHE A 456 1.982 -3.096 0.074 1.00 0.00 H new ATOM 0 HB3 PHE A 456 1.045 -3.065 1.555 1.00 0.00 H new ATOM 0 HD1 PHE A 456 3.892 -1.588 -0.255 1.00 0.00 H new ATOM 0 HD2 PHE A 456 1.545 -1.478 3.344 1.00 0.00 H new ATOM 0 HE1 PHE A 456 4.843 0.634 0.302 1.00 0.00 H new ATOM 0 HE2 PHE A 456 2.494 0.747 3.894 1.00 0.00 H new ATOM 0 HZ PHE A 456 4.151 1.798 2.379 1.00 0.00 H new ATOM 487 N CYS A 457 0.874 -5.661 1.799 1.00 0.00 N ATOM 488 CA CYS A 457 -0.083 -6.697 1.457 1.00 0.00 C ATOM 489 C CYS A 457 -1.442 -6.024 1.259 1.00 0.00 C ATOM 490 O CYS A 457 -1.551 -4.809 1.413 1.00 0.00 O ATOM 491 CB CYS A 457 -0.083 -7.774 2.543 1.00 0.00 C ATOM 492 SG CYS A 457 -0.336 -7.025 4.170 1.00 0.00 S ATOM 0 H CYS A 457 0.541 -5.047 2.543 1.00 0.00 H new ATOM 0 HA CYS A 457 0.177 -7.208 0.530 1.00 0.00 H new ATOM 0 HB2 CYS A 457 -0.870 -8.501 2.344 1.00 0.00 H new ATOM 0 HB3 CYS A 457 0.863 -8.316 2.528 1.00 0.00 H new ATOM 497 N ARG A 458 -2.486 -6.783 0.916 1.00 0.00 N ATOM 498 CA ARG A 458 -3.763 -6.189 0.536 1.00 0.00 C ATOM 499 C ARG A 458 -4.332 -5.298 1.640 1.00 0.00 C ATOM 500 O ARG A 458 -4.970 -4.287 1.353 1.00 0.00 O ATOM 501 CB ARG A 458 -4.740 -7.317 0.192 1.00 0.00 C ATOM 502 CG ARG A 458 -6.063 -6.754 -0.333 1.00 0.00 C ATOM 503 CD ARG A 458 -7.005 -7.899 -0.700 1.00 0.00 C ATOM 504 NE ARG A 458 -8.288 -7.393 -1.198 1.00 0.00 N ATOM 505 CZ ARG A 458 -8.551 -7.115 -2.479 1.00 0.00 C ATOM 506 NH1 ARG A 458 -7.623 -7.283 -3.419 1.00 0.00 N ATOM 507 NH2 ARG A 458 -9.754 -6.665 -2.824 1.00 0.00 N ATOM 0 H ARG A 458 -2.470 -7.803 0.895 1.00 0.00 H new ATOM 0 HA ARG A 458 -3.609 -5.547 -0.331 1.00 0.00 H new ATOM 0 HB2 ARG A 458 -4.296 -7.972 -0.558 1.00 0.00 H new ATOM 0 HB3 ARG A 458 -4.925 -7.926 1.077 1.00 0.00 H new ATOM 0 HG2 ARG A 458 -6.525 -6.120 0.424 1.00 0.00 H new ATOM 0 HG3 ARG A 458 -5.881 -6.127 -1.206 1.00 0.00 H new ATOM 0 HD2 ARG A 458 -6.539 -8.527 -1.460 1.00 0.00 H new ATOM 0 HD3 ARG A 458 -7.174 -8.528 0.174 1.00 0.00 H new ATOM 0 HE ARG A 458 -9.033 -7.242 -0.518 1.00 0.00 H new ATOM 0 HH11 ARG A 458 -6.697 -7.628 -3.166 1.00 0.00 H new ATOM 0 HH12 ARG A 458 -7.838 -7.067 -4.392 1.00 0.00 H new ATOM 0 HH21 ARG A 458 -10.473 -6.533 -2.112 1.00 0.00 H new ATOM 0 HH22 ARG A 458 -9.958 -6.452 -3.800 1.00 0.00 H new ATOM 521 N SER A 459 -4.104 -5.660 2.907 1.00 0.00 N ATOM 522 CA SER A 459 -4.672 -4.942 4.036 1.00 0.00 C ATOM 523 C SER A 459 -4.016 -3.580 4.238 1.00 0.00 C ATOM 524 O SER A 459 -4.709 -2.579 4.417 1.00 0.00 O ATOM 525 CB SER A 459 -4.486 -5.787 5.292 1.00 0.00 C ATOM 526 OG SER A 459 -5.271 -6.960 5.202 1.00 0.00 O ATOM 0 H SER A 459 -3.523 -6.456 3.170 1.00 0.00 H new ATOM 0 HA SER A 459 -5.729 -4.768 3.835 1.00 0.00 H new ATOM 0 HB2 SER A 459 -3.435 -6.050 5.412 1.00 0.00 H new ATOM 0 HB3 SER A 459 -4.773 -5.213 6.173 1.00 0.00 H new ATOM 0 HG SER A 459 -5.146 -7.500 6.010 1.00 0.00 H new ATOM 532 N CYS A 460 -2.682 -3.535 4.207 1.00 0.00 N ATOM 533 CA CYS A 460 -1.943 -2.318 4.480 1.00 0.00 C ATOM 534 C CYS A 460 -1.687 -1.514 3.198 1.00 0.00 C ATOM 535 O CYS A 460 -1.357 -0.328 3.272 1.00 0.00 O ATOM 536 CB CYS A 460 -0.671 -2.670 5.248 1.00 0.00 C ATOM 537 SG CYS A 460 0.218 -3.990 4.396 1.00 0.00 S ATOM 0 H CYS A 460 -2.094 -4.341 3.992 1.00 0.00 H new ATOM 0 HA CYS A 460 -2.537 -1.656 5.111 1.00 0.00 H new ATOM 0 HB2 CYS A 460 -0.034 -1.790 5.337 1.00 0.00 H new ATOM 0 HB3 CYS A 460 -0.923 -2.985 6.261 1.00 0.00 H new ATOM 542 N TRP A 461 -1.835 -2.135 2.022 1.00 0.00 N ATOM 543 CA TRP A 461 -1.749 -1.398 0.774 1.00 0.00 C ATOM 544 C TRP A 461 -2.929 -0.443 0.662 1.00 0.00 C ATOM 545 O TRP A 461 -2.741 0.722 0.326 1.00 0.00 O ATOM 546 CB TRP A 461 -1.752 -2.344 -0.427 1.00 0.00 C ATOM 547 CG TRP A 461 -1.744 -1.614 -1.735 1.00 0.00 C ATOM 548 CD1 TRP A 461 -2.835 -1.164 -2.390 1.00 0.00 C ATOM 549 CD2 TRP A 461 -0.603 -1.221 -2.559 1.00 0.00 C ATOM 550 NE1 TRP A 461 -2.453 -0.505 -3.538 1.00 0.00 N ATOM 551 CE2 TRP A 461 -1.080 -0.489 -3.684 1.00 0.00 C ATOM 552 CE3 TRP A 461 0.790 -1.396 -2.458 1.00 0.00 C ATOM 553 CZ2 TRP A 461 -0.224 0.071 -4.640 1.00 0.00 C ATOM 554 CZ3 TRP A 461 1.653 -0.866 -3.428 1.00 0.00 C ATOM 555 CH2 TRP A 461 1.156 -0.126 -4.509 1.00 0.00 C ATOM 0 H TRP A 461 -2.012 -3.134 1.917 1.00 0.00 H new ATOM 0 HA TRP A 461 -0.813 -0.840 0.774 1.00 0.00 H new ATOM 0 HB2 TRP A 461 -0.880 -2.996 -0.374 1.00 0.00 H new ATOM 0 HB3 TRP A 461 -2.632 -2.985 -0.378 1.00 0.00 H new ATOM 0 HD1 TRP A 461 -3.855 -1.300 -2.063 1.00 0.00 H new ATOM 0 HE1 TRP A 461 -3.104 -0.081 -4.199 1.00 0.00 H new ATOM 0 HE3 TRP A 461 1.199 -1.945 -1.623 1.00 0.00 H new ATOM 0 HZ2 TRP A 461 -0.621 0.645 -5.464 1.00 0.00 H new ATOM 0 HZ3 TRP A 461 2.717 -1.031 -3.340 1.00 0.00 H new ATOM 0 HH2 TRP A 461 1.835 0.291 -5.238 1.00 0.00 H new ATOM 566 N HIS A 462 -4.148 -0.918 0.942 1.00 0.00 N ATOM 567 CA HIS A 462 -5.314 -0.049 0.879 1.00 0.00 C ATOM 568 C HIS A 462 -5.311 0.924 2.056 1.00 0.00 C ATOM 569 O HIS A 462 -5.881 2.006 1.966 1.00 0.00 O ATOM 570 CB HIS A 462 -6.584 -0.899 0.868 1.00 0.00 C ATOM 571 CG HIS A 462 -6.737 -1.717 -0.386 1.00 0.00 C ATOM 572 ND1 HIS A 462 -6.489 -1.258 -1.685 1.00 0.00 N ATOM 573 CD2 HIS A 462 -7.137 -3.020 -0.438 1.00 0.00 C ATOM 574 CE1 HIS A 462 -6.754 -2.303 -2.486 1.00 0.00 C ATOM 575 NE2 HIS A 462 -7.143 -3.372 -1.768 1.00 0.00 N ATOM 0 H HIS A 462 -4.345 -1.883 1.209 1.00 0.00 H new ATOM 0 HA HIS A 462 -5.282 0.538 -0.039 1.00 0.00 H new ATOM 0 HB2 HIS A 462 -6.575 -1.566 1.730 1.00 0.00 H new ATOM 0 HB3 HIS A 462 -7.451 -0.247 0.977 1.00 0.00 H new ATOM 0 HD2 HIS A 462 -7.397 -3.651 0.399 1.00 0.00 H new ATOM 0 HE1 HIS A 462 -6.667 -2.287 -3.562 1.00 0.00 H new ATOM 0 HE2 HIS A 462 -7.398 -4.285 -2.144 1.00 0.00 H new ATOM 583 N TRP A 463 -4.664 0.550 3.161 1.00 0.00 N ATOM 584 CA TRP A 463 -4.524 1.424 4.314 1.00 0.00 C ATOM 585 C TRP A 463 -3.618 2.617 3.992 1.00 0.00 C ATOM 586 O TRP A 463 -3.665 3.624 4.698 1.00 0.00 O ATOM 587 CB TRP A 463 -3.942 0.585 5.446 1.00 0.00 C ATOM 588 CG TRP A 463 -3.559 1.313 6.690 1.00 0.00 C ATOM 589 CD1 TRP A 463 -4.400 1.741 7.656 1.00 0.00 C ATOM 590 CD2 TRP A 463 -2.222 1.703 7.128 1.00 0.00 C ATOM 591 NE1 TRP A 463 -3.681 2.375 8.651 1.00 0.00 N ATOM 592 CE2 TRP A 463 -2.327 2.370 8.380 1.00 0.00 C ATOM 593 CE3 TRP A 463 -0.934 1.535 6.590 1.00 0.00 C ATOM 594 CZ2 TRP A 463 -1.204 2.855 9.063 1.00 0.00 C ATOM 595 CZ3 TRP A 463 0.197 2.009 7.273 1.00 0.00 C ATOM 596 CH2 TRP A 463 0.067 2.670 8.503 1.00 0.00 C ATOM 0 H TRP A 463 -4.226 -0.364 3.276 1.00 0.00 H new ATOM 0 HA TRP A 463 -5.491 1.836 4.602 1.00 0.00 H new ATOM 0 HB2 TRP A 463 -4.670 -0.181 5.711 1.00 0.00 H new ATOM 0 HB3 TRP A 463 -3.059 0.069 5.068 1.00 0.00 H new ATOM 0 HD1 TRP A 463 -5.472 1.608 7.651 1.00 0.00 H new ATOM 0 HE1 TRP A 463 -4.098 2.794 9.482 1.00 0.00 H new ATOM 0 HE3 TRP A 463 -0.813 1.035 5.640 1.00 0.00 H new ATOM 0 HZ2 TRP A 463 -1.316 3.365 10.009 1.00 0.00 H new ATOM 0 HZ3 TRP A 463 1.178 1.863 6.846 1.00 0.00 H new ATOM 0 HH2 TRP A 463 0.944 3.035 9.017 1.00 0.00 H new ATOM 607 N ARG A 464 -2.798 2.516 2.937 1.00 0.00 N ATOM 608 CA ARG A 464 -1.905 3.597 2.530 1.00 0.00 C ATOM 609 C ARG A 464 -2.294 4.201 1.179 1.00 0.00 C ATOM 610 O ARG A 464 -1.911 5.333 0.895 1.00 0.00 O ATOM 611 CB ARG A 464 -0.471 3.047 2.507 1.00 0.00 C ATOM 612 CG ARG A 464 0.592 4.084 2.123 1.00 0.00 C ATOM 613 CD ARG A 464 0.564 5.311 3.036 1.00 0.00 C ATOM 614 NE ARG A 464 0.752 4.948 4.447 1.00 0.00 N ATOM 615 CZ ARG A 464 1.932 4.899 5.073 1.00 0.00 C ATOM 616 NH1 ARG A 464 3.066 5.177 4.436 1.00 0.00 N ATOM 617 NH2 ARG A 464 1.978 4.565 6.356 1.00 0.00 N ATOM 0 H ARG A 464 -2.739 1.685 2.348 1.00 0.00 H new ATOM 0 HA ARG A 464 -1.984 4.413 3.248 1.00 0.00 H new ATOM 0 HB2 ARG A 464 -0.232 2.645 3.492 1.00 0.00 H new ATOM 0 HB3 ARG A 464 -0.423 2.216 1.803 1.00 0.00 H new ATOM 0 HG2 ARG A 464 1.579 3.623 2.168 1.00 0.00 H new ATOM 0 HG3 ARG A 464 0.434 4.398 1.091 1.00 0.00 H new ATOM 0 HD2 ARG A 464 1.346 6.007 2.733 1.00 0.00 H new ATOM 0 HD3 ARG A 464 -0.387 5.830 2.918 1.00 0.00 H new ATOM 0 HE ARG A 464 -0.080 4.716 4.990 1.00 0.00 H new ATOM 0 HH11 ARG A 464 3.047 5.434 3.449 1.00 0.00 H new ATOM 0 HH12 ARG A 464 3.955 5.133 4.934 1.00 0.00 H new ATOM 0 HH21 ARG A 464 1.117 4.348 6.858 1.00 0.00 H new ATOM 0 HH22 ARG A 464 2.875 4.525 6.841 1.00 0.00 H new ATOM 631 N HIS A 465 -3.045 3.473 0.346 1.00 0.00 N ATOM 632 CA HIS A 465 -3.344 3.914 -1.010 1.00 0.00 C ATOM 633 C HIS A 465 -4.840 4.082 -1.285 1.00 0.00 C ATOM 634 O HIS A 465 -5.213 4.417 -2.408 1.00 0.00 O ATOM 635 CB HIS A 465 -2.713 2.942 -2.010 1.00 0.00 C ATOM 636 CG HIS A 465 -1.214 2.835 -1.904 1.00 0.00 C ATOM 637 ND1 HIS A 465 -0.518 1.834 -1.271 1.00 0.00 N ATOM 638 CD2 HIS A 465 -0.285 3.700 -2.418 1.00 0.00 C ATOM 639 CE1 HIS A 465 0.797 2.081 -1.416 1.00 0.00 C ATOM 640 NE2 HIS A 465 0.999 3.213 -2.118 1.00 0.00 N ATOM 0 H HIS A 465 -3.456 2.573 0.594 1.00 0.00 H new ATOM 0 HA HIS A 465 -2.912 4.908 -1.127 1.00 0.00 H new ATOM 0 HB2 HIS A 465 -3.148 1.953 -1.863 1.00 0.00 H new ATOM 0 HB3 HIS A 465 -2.973 3.258 -3.020 1.00 0.00 H new ATOM 0 HD1 HIS A 465 -0.927 1.041 -0.777 1.00 0.00 H new ATOM 0 HD2 HIS A 465 -0.503 4.606 -2.964 1.00 0.00 H new ATOM 0 HE1 HIS A 465 1.585 1.456 -1.022 1.00 0.00 H new ATOM 648 N SER A 466 -5.711 3.857 -0.293 1.00 0.00 N ATOM 649 CA SER A 466 -7.152 4.011 -0.491 1.00 0.00 C ATOM 650 C SER A 466 -7.665 5.346 0.052 1.00 0.00 C ATOM 651 O SER A 466 -8.871 5.579 0.093 1.00 0.00 O ATOM 652 CB SER A 466 -7.907 2.825 0.109 1.00 0.00 C ATOM 653 OG SER A 466 -9.234 2.809 -0.375 1.00 0.00 O ATOM 0 H SER A 466 -5.442 3.570 0.648 1.00 0.00 H new ATOM 0 HA SER A 466 -7.342 4.021 -1.564 1.00 0.00 H new ATOM 0 HB2 SER A 466 -7.404 1.893 -0.150 1.00 0.00 H new ATOM 0 HB3 SER A 466 -7.908 2.895 1.197 1.00 0.00 H new ATOM 0 HG SER A 466 -9.582 3.725 -0.406 1.00 0.00 H new ATOM 659 N MET A 467 -6.750 6.228 0.469 1.00 0.00 N ATOM 660 CA MET A 467 -7.096 7.546 0.985 1.00 0.00 C ATOM 661 C MET A 467 -7.212 8.577 -0.135 1.00 0.00 C ATOM 662 O MET A 467 -7.179 9.779 0.117 1.00 0.00 O ATOM 663 CB MET A 467 -6.098 7.951 2.071 1.00 0.00 C ATOM 664 CG MET A 467 -4.672 8.038 1.520 1.00 0.00 C ATOM 665 SD MET A 467 -3.404 8.368 2.773 1.00 0.00 S ATOM 666 CE MET A 467 -3.578 6.868 3.773 1.00 0.00 C ATOM 0 H MET A 467 -5.747 6.042 0.456 1.00 0.00 H new ATOM 0 HA MET A 467 -8.084 7.503 1.443 1.00 0.00 H new ATOM 0 HB2 MET A 467 -6.386 8.915 2.490 1.00 0.00 H new ATOM 0 HB3 MET A 467 -6.131 7.227 2.885 1.00 0.00 H new ATOM 0 HG2 MET A 467 -4.432 7.102 1.016 1.00 0.00 H new ATOM 0 HG3 MET A 467 -4.634 8.824 0.766 1.00 0.00 H new ATOM 0 HE1 MET A 467 -2.666 6.707 4.348 1.00 0.00 H new ATOM 0 HE2 MET A 467 -4.422 6.980 4.454 1.00 0.00 H new ATOM 0 HE3 MET A 467 -3.751 6.013 3.119 1.00 0.00 H new ATOM 676 N GLU A 468 -7.349 8.095 -1.377 1.00 0.00 N ATOM 677 CA GLU A 468 -7.481 8.889 -2.592 1.00 0.00 C ATOM 678 C GLU A 468 -6.270 9.785 -2.886 1.00 0.00 C ATOM 679 O GLU A 468 -6.192 10.378 -3.961 1.00 0.00 O ATOM 680 CB GLU A 468 -8.813 9.654 -2.550 1.00 0.00 C ATOM 681 CG GLU A 468 -9.207 10.193 -3.926 1.00 0.00 C ATOM 682 CD GLU A 468 -10.601 10.813 -3.884 1.00 0.00 C ATOM 683 OE1 GLU A 468 -10.691 12.014 -3.551 1.00 0.00 O ATOM 684 OE2 GLU A 468 -11.568 10.076 -4.185 1.00 0.00 O ATOM 0 H GLU A 468 -7.371 7.093 -1.564 1.00 0.00 H new ATOM 0 HA GLU A 468 -7.497 8.207 -3.442 1.00 0.00 H new ATOM 0 HB2 GLU A 468 -9.598 8.995 -2.180 1.00 0.00 H new ATOM 0 HB3 GLU A 468 -8.734 10.482 -1.845 1.00 0.00 H new ATOM 0 HG2 GLU A 468 -8.482 10.939 -4.251 1.00 0.00 H new ATOM 0 HG3 GLU A 468 -9.185 9.386 -4.658 1.00 0.00 H new ATOM 691 N GLY A 469 -5.320 9.892 -1.955 1.00 0.00 N ATOM 692 CA GLY A 469 -4.146 10.733 -2.134 1.00 0.00 C ATOM 693 C GLY A 469 -3.036 10.034 -2.908 1.00 0.00 C ATOM 694 O GLY A 469 -2.195 10.711 -3.495 1.00 0.00 O ATOM 0 H GLY A 469 -5.347 9.399 -1.062 1.00 0.00 H new ATOM 0 HA2 GLY A 469 -4.433 11.643 -2.660 1.00 0.00 H new ATOM 0 HA3 GLY A 469 -3.768 11.035 -1.157 1.00 0.00 H new ATOM 698 N LEU A 470 -3.024 8.693 -2.921 1.00 0.00 N ATOM 699 CA LEU A 470 -1.974 7.917 -3.576 1.00 0.00 C ATOM 700 C LEU A 470 -2.553 6.908 -4.570 1.00 0.00 C ATOM 701 O LEU A 470 -1.899 5.917 -4.897 1.00 0.00 O ATOM 702 CB LEU A 470 -1.084 7.215 -2.538 1.00 0.00 C ATOM 703 CG LEU A 470 -0.418 8.152 -1.528 1.00 0.00 C ATOM 704 CD1 LEU A 470 0.456 7.330 -0.582 1.00 0.00 C ATOM 705 CD2 LEU A 470 0.471 9.208 -2.184 1.00 0.00 C ATOM 0 H LEU A 470 -3.743 8.122 -2.477 1.00 0.00 H new ATOM 0 HA LEU A 470 -1.356 8.615 -4.141 1.00 0.00 H new ATOM 0 HB2 LEU A 470 -1.687 6.487 -1.995 1.00 0.00 H new ATOM 0 HB3 LEU A 470 -0.308 6.658 -3.063 1.00 0.00 H new ATOM 0 HG LEU A 470 -1.222 8.666 -1.002 1.00 0.00 H new ATOM 0 HD11 LEU A 470 0.933 7.992 0.140 1.00 0.00 H new ATOM 0 HD12 LEU A 470 -0.162 6.603 -0.055 1.00 0.00 H new ATOM 0 HD13 LEU A 470 1.221 6.807 -1.156 1.00 0.00 H new ATOM 0 HD21 LEU A 470 0.914 9.840 -1.414 1.00 0.00 H new ATOM 0 HD22 LEU A 470 1.263 8.717 -2.750 1.00 0.00 H new ATOM 0 HD23 LEU A 470 -0.128 9.821 -2.857 1.00 0.00 H new ATOM 717 N ARG A 471 -3.777 7.139 -5.059 1.00 0.00 N ATOM 718 CA ARG A 471 -4.426 6.242 -6.014 1.00 0.00 C ATOM 719 C ARG A 471 -3.728 6.234 -7.371 1.00 0.00 C ATOM 720 O ARG A 471 -4.137 5.496 -8.266 1.00 0.00 O ATOM 721 CB ARG A 471 -5.896 6.643 -6.177 1.00 0.00 C ATOM 722 CG ARG A 471 -6.760 6.111 -5.030 1.00 0.00 C ATOM 723 CD ARG A 471 -6.909 4.593 -5.123 1.00 0.00 C ATOM 724 NE ARG A 471 -7.817 4.077 -4.094 1.00 0.00 N ATOM 725 CZ ARG A 471 -9.149 4.060 -4.199 1.00 0.00 C ATOM 726 NH1 ARG A 471 -9.754 4.533 -5.286 1.00 0.00 N ATOM 727 NH2 ARG A 471 -9.889 3.563 -3.211 1.00 0.00 N ATOM 0 H ARG A 471 -4.341 7.950 -4.804 1.00 0.00 H new ATOM 0 HA ARG A 471 -4.359 5.230 -5.615 1.00 0.00 H new ATOM 0 HB2 ARG A 471 -5.974 7.729 -6.218 1.00 0.00 H new ATOM 0 HB3 ARG A 471 -6.274 6.261 -7.125 1.00 0.00 H new ATOM 0 HG2 ARG A 471 -6.309 6.379 -4.074 1.00 0.00 H new ATOM 0 HG3 ARG A 471 -7.743 6.580 -5.061 1.00 0.00 H new ATOM 0 HD2 ARG A 471 -7.285 4.323 -6.110 1.00 0.00 H new ATOM 0 HD3 ARG A 471 -5.931 4.123 -5.015 1.00 0.00 H new ATOM 0 HE ARG A 471 -7.403 3.705 -3.239 1.00 0.00 H new ATOM 0 HH11 ARG A 471 -9.200 4.915 -6.053 1.00 0.00 H new ATOM 0 HH12 ARG A 471 -10.772 4.514 -5.352 1.00 0.00 H new ATOM 0 HH21 ARG A 471 -9.440 3.195 -2.373 1.00 0.00 H new ATOM 0 HH22 ARG A 471 -10.906 3.550 -3.292 1.00 0.00 H new ATOM 741 N HIS A 472 -2.679 7.043 -7.535 1.00 0.00 N ATOM 742 CA HIS A 472 -1.902 7.094 -8.764 1.00 0.00 C ATOM 743 C HIS A 472 -0.741 6.100 -8.742 1.00 0.00 C ATOM 744 O HIS A 472 -0.026 5.973 -9.737 1.00 0.00 O ATOM 745 CB HIS A 472 -1.422 8.528 -8.984 1.00 0.00 C ATOM 746 CG HIS A 472 -0.498 9.012 -7.900 1.00 0.00 C ATOM 747 ND1 HIS A 472 -0.879 9.365 -6.604 1.00 0.00 N ATOM 748 CD2 HIS A 472 0.849 9.174 -8.032 1.00 0.00 C ATOM 749 CE1 HIS A 472 0.258 9.735 -5.989 1.00 0.00 C ATOM 750 NE2 HIS A 472 1.308 9.640 -6.824 1.00 0.00 N ATOM 0 H HIS A 472 -2.347 7.682 -6.812 1.00 0.00 H new ATOM 0 HA HIS A 472 -2.534 6.798 -9.601 1.00 0.00 H new ATOM 0 HB2 HIS A 472 -0.910 8.591 -9.944 1.00 0.00 H new ATOM 0 HB3 HIS A 472 -2.286 9.190 -9.039 1.00 0.00 H new ATOM 0 HD2 HIS A 472 1.440 8.975 -8.914 1.00 0.00 H new ATOM 0 HE1 HIS A 472 0.320 10.064 -4.962 1.00 0.00 H new ATOM 0 HE2 HIS A 472 2.275 9.873 -6.600 1.00 0.00 H new ATOM 758 N HIS A 473 -0.540 5.395 -7.624 1.00 0.00 N ATOM 759 CA HIS A 473 0.501 4.386 -7.506 1.00 0.00 C ATOM 760 C HIS A 473 0.063 3.082 -8.166 1.00 0.00 C ATOM 761 O HIS A 473 -1.115 2.887 -8.460 1.00 0.00 O ATOM 762 CB HIS A 473 0.811 4.135 -6.030 1.00 0.00 C ATOM 763 CG HIS A 473 1.422 5.307 -5.305 1.00 0.00 C ATOM 764 ND1 HIS A 473 1.822 5.306 -3.964 1.00 0.00 N ATOM 765 CD2 HIS A 473 1.669 6.537 -5.845 1.00 0.00 C ATOM 766 CE1 HIS A 473 2.273 6.550 -3.728 1.00 0.00 C ATOM 767 NE2 HIS A 473 2.206 7.302 -4.841 1.00 0.00 N ATOM 0 H HIS A 473 -1.098 5.513 -6.779 1.00 0.00 H new ATOM 0 HA HIS A 473 1.396 4.750 -8.011 1.00 0.00 H new ATOM 0 HB2 HIS A 473 -0.111 3.852 -5.522 1.00 0.00 H new ATOM 0 HB3 HIS A 473 1.490 3.285 -5.955 1.00 0.00 H new ATOM 0 HD2 HIS A 473 1.479 6.846 -6.862 1.00 0.00 H new ATOM 0 HE1 HIS A 473 2.640 6.899 -2.774 1.00 0.00 H new ATOM 0 HE2 HIS A 473 2.503 8.274 -4.924 1.00 0.00 H new ATOM 775 N SER A 474 1.029 2.190 -8.394 1.00 0.00 N ATOM 776 CA SER A 474 0.777 0.865 -8.935 1.00 0.00 C ATOM 777 C SER A 474 1.699 -0.123 -8.224 1.00 0.00 C ATOM 778 O SER A 474 2.872 0.192 -8.015 1.00 0.00 O ATOM 779 CB SER A 474 1.033 0.871 -10.441 1.00 0.00 C ATOM 780 OG SER A 474 0.763 -0.401 -10.987 1.00 0.00 O ATOM 0 H SER A 474 2.014 2.374 -8.205 1.00 0.00 H new ATOM 0 HA SER A 474 -0.260 0.570 -8.773 1.00 0.00 H new ATOM 0 HB2 SER A 474 0.405 1.621 -10.921 1.00 0.00 H new ATOM 0 HB3 SER A 474 2.068 1.148 -10.640 1.00 0.00 H new ATOM 0 HG SER A 474 0.929 -0.384 -11.953 1.00 0.00 H new ATOM 786 N PRO A 475 1.200 -1.307 -7.846 1.00 0.00 N ATOM 787 CA PRO A 475 1.970 -2.289 -7.108 1.00 0.00 C ATOM 788 C PRO A 475 3.012 -2.975 -7.989 1.00 0.00 C ATOM 789 O PRO A 475 2.760 -3.268 -9.160 1.00 0.00 O ATOM 790 CB PRO A 475 0.938 -3.286 -6.589 1.00 0.00 C ATOM 791 CG PRO A 475 -0.145 -3.248 -7.666 1.00 0.00 C ATOM 792 CD PRO A 475 -0.151 -1.777 -8.084 1.00 0.00 C ATOM 0 HA PRO A 475 2.539 -1.828 -6.300 1.00 0.00 H new ATOM 0 HB2 PRO A 475 1.361 -4.284 -6.477 1.00 0.00 H new ATOM 0 HB3 PRO A 475 0.548 -2.994 -5.614 1.00 0.00 H new ATOM 0 HG2 PRO A 475 0.092 -3.906 -8.502 1.00 0.00 H new ATOM 0 HG3 PRO A 475 -1.114 -3.563 -7.278 1.00 0.00 H new ATOM 0 HD2 PRO A 475 -0.427 -1.667 -9.133 1.00 0.00 H new ATOM 0 HD3 PRO A 475 -0.875 -1.206 -7.503 1.00 0.00 H new ATOM 800 N LEU A 476 4.189 -3.231 -7.413 1.00 0.00 N ATOM 801 CA LEU A 476 5.261 -3.976 -8.054 1.00 0.00 C ATOM 802 C LEU A 476 5.319 -5.379 -7.457 1.00 0.00 C ATOM 803 O LEU A 476 4.784 -5.623 -6.376 1.00 0.00 O ATOM 804 CB LEU A 476 6.596 -3.243 -7.871 1.00 0.00 C ATOM 805 CG LEU A 476 6.803 -2.083 -8.857 1.00 0.00 C ATOM 806 CD1 LEU A 476 5.791 -0.959 -8.667 1.00 0.00 C ATOM 807 CD2 LEU A 476 8.201 -1.505 -8.641 1.00 0.00 C ATOM 0 H LEU A 476 4.422 -2.918 -6.471 1.00 0.00 H new ATOM 0 HA LEU A 476 5.068 -4.055 -9.124 1.00 0.00 H new ATOM 0 HB2 LEU A 476 6.652 -2.857 -6.853 1.00 0.00 H new ATOM 0 HB3 LEU A 476 7.411 -3.957 -7.987 1.00 0.00 H new ATOM 0 HG LEU A 476 6.674 -2.483 -9.863 1.00 0.00 H new ATOM 0 HD11 LEU A 476 5.986 -0.168 -9.391 1.00 0.00 H new ATOM 0 HD12 LEU A 476 4.784 -1.347 -8.817 1.00 0.00 H new ATOM 0 HD13 LEU A 476 5.879 -0.557 -7.658 1.00 0.00 H new ATOM 0 HD21 LEU A 476 8.364 -0.680 -9.334 1.00 0.00 H new ATOM 0 HD22 LEU A 476 8.291 -1.142 -7.617 1.00 0.00 H new ATOM 0 HD23 LEU A 476 8.947 -2.280 -8.818 1.00 0.00 H new ATOM 819 N MET A 477 5.974 -6.298 -8.167 1.00 0.00 N ATOM 820 CA MET A 477 6.105 -7.682 -7.735 1.00 0.00 C ATOM 821 C MET A 477 7.461 -8.240 -8.156 1.00 0.00 C ATOM 822 O MET A 477 8.207 -7.591 -8.892 1.00 0.00 O ATOM 823 CB MET A 477 4.956 -8.516 -8.315 1.00 0.00 C ATOM 824 CG MET A 477 4.986 -8.523 -9.845 1.00 0.00 C ATOM 825 SD MET A 477 3.654 -9.499 -10.596 1.00 0.00 S ATOM 826 CE MET A 477 4.067 -9.250 -12.342 1.00 0.00 C ATOM 0 H MET A 477 6.428 -6.099 -9.059 1.00 0.00 H new ATOM 0 HA MET A 477 6.048 -7.729 -6.647 1.00 0.00 H new ATOM 0 HB2 MET A 477 5.024 -9.539 -7.944 1.00 0.00 H new ATOM 0 HB3 MET A 477 4.003 -8.114 -7.970 1.00 0.00 H new ATOM 0 HG2 MET A 477 4.920 -7.496 -10.206 1.00 0.00 H new ATOM 0 HG3 MET A 477 5.946 -8.917 -10.179 1.00 0.00 H new ATOM 0 HE1 MET A 477 3.349 -9.782 -12.965 1.00 0.00 H new ATOM 0 HE2 MET A 477 4.032 -8.186 -12.576 1.00 0.00 H new ATOM 0 HE3 MET A 477 5.069 -9.632 -12.537 1.00 0.00 H new ATOM 836 N ARG A 478 7.786 -9.446 -7.684 1.00 0.00 N ATOM 837 CA ARG A 478 9.040 -10.115 -7.997 1.00 0.00 C ATOM 838 C ARG A 478 8.763 -11.532 -8.493 1.00 0.00 C ATOM 839 O ARG A 478 7.697 -12.088 -8.228 1.00 0.00 O ATOM 840 CB ARG A 478 9.964 -10.148 -6.771 1.00 0.00 C ATOM 841 CG ARG A 478 10.558 -8.778 -6.423 1.00 0.00 C ATOM 842 CD ARG A 478 9.591 -7.906 -5.620 1.00 0.00 C ATOM 843 NE ARG A 478 10.212 -6.633 -5.250 1.00 0.00 N ATOM 844 CZ ARG A 478 10.320 -5.571 -6.056 1.00 0.00 C ATOM 845 NH1 ARG A 478 9.874 -5.608 -7.310 1.00 0.00 N ATOM 846 NH2 ARG A 478 10.886 -4.459 -5.600 1.00 0.00 N ATOM 0 H ARG A 478 7.177 -9.986 -7.069 1.00 0.00 H new ATOM 0 HA ARG A 478 9.545 -9.555 -8.784 1.00 0.00 H new ATOM 0 HB2 ARG A 478 9.405 -10.523 -5.913 1.00 0.00 H new ATOM 0 HB3 ARG A 478 10.775 -10.852 -6.955 1.00 0.00 H new ATOM 0 HG2 ARG A 478 11.476 -8.918 -5.852 1.00 0.00 H new ATOM 0 HG3 ARG A 478 10.831 -8.260 -7.342 1.00 0.00 H new ATOM 0 HD2 ARG A 478 8.692 -7.718 -6.207 1.00 0.00 H new ATOM 0 HD3 ARG A 478 9.279 -8.437 -4.721 1.00 0.00 H new ATOM 0 HE ARG A 478 10.591 -6.550 -4.307 1.00 0.00 H new ATOM 0 HH11 ARG A 478 9.440 -6.457 -7.672 1.00 0.00 H new ATOM 0 HH12 ARG A 478 9.966 -4.787 -7.908 1.00 0.00 H new ATOM 0 HH21 ARG A 478 11.234 -4.420 -4.642 1.00 0.00 H new ATOM 0 HH22 ARG A 478 10.972 -3.644 -6.208 1.00 0.00 H new ATOM 860 N ASN A 479 9.726 -12.106 -9.212 1.00 0.00 N ATOM 861 CA ASN A 479 9.616 -13.449 -9.773 1.00 0.00 C ATOM 862 C ASN A 479 10.935 -14.216 -9.666 1.00 0.00 C ATOM 863 O ASN A 479 11.096 -15.258 -10.297 1.00 0.00 O ATOM 864 CB ASN A 479 9.139 -13.357 -11.225 1.00 0.00 C ATOM 865 CG ASN A 479 10.127 -12.639 -12.139 1.00 0.00 C ATOM 866 OD1 ASN A 479 11.180 -12.180 -11.707 1.00 0.00 O ATOM 867 ND2 ASN A 479 9.788 -12.538 -13.420 1.00 0.00 N ATOM 0 H ASN A 479 10.612 -11.647 -9.423 1.00 0.00 H new ATOM 0 HA ASN A 479 8.882 -14.010 -9.194 1.00 0.00 H new ATOM 0 HB2 ASN A 479 8.965 -14.363 -11.608 1.00 0.00 H new ATOM 0 HB3 ASN A 479 8.182 -12.835 -11.254 1.00 0.00 H new ATOM 0 HD21 ASN A 479 10.411 -12.068 -14.077 1.00 0.00 H new ATOM 0 HD22 ASN A 479 8.905 -12.931 -13.746 1.00 0.00 H new ATOM 874 N GLN A 480 11.882 -13.704 -8.872 1.00 0.00 N ATOM 875 CA GLN A 480 13.191 -14.322 -8.701 1.00 0.00 C ATOM 876 C GLN A 480 13.170 -15.391 -7.603 1.00 0.00 C ATOM 877 O GLN A 480 14.203 -15.994 -7.315 1.00 0.00 O ATOM 878 CB GLN A 480 14.233 -13.241 -8.405 1.00 0.00 C ATOM 879 CG GLN A 480 14.325 -12.240 -9.558 1.00 0.00 C ATOM 880 CD GLN A 480 15.409 -11.192 -9.320 1.00 0.00 C ATOM 881 OE1 GLN A 480 16.062 -11.174 -8.279 1.00 0.00 O ATOM 882 NE2 GLN A 480 15.612 -10.304 -10.292 1.00 0.00 N ATOM 0 H GLN A 480 11.757 -12.848 -8.331 1.00 0.00 H new ATOM 0 HA GLN A 480 13.461 -14.828 -9.628 1.00 0.00 H new ATOM 0 HB2 GLN A 480 13.970 -12.719 -7.485 1.00 0.00 H new ATOM 0 HB3 GLN A 480 15.206 -13.704 -8.241 1.00 0.00 H new ATOM 0 HG2 GLN A 480 14.534 -12.773 -10.485 1.00 0.00 H new ATOM 0 HG3 GLN A 480 13.363 -11.744 -9.685 1.00 0.00 H new ATOM 0 HE21 GLN A 480 15.054 -10.345 -11.145 1.00 0.00 H new ATOM 0 HE22 GLN A 480 16.326 -9.583 -10.184 1.00 0.00 H new ATOM 891 N LYS A 481 12.002 -15.622 -6.991 1.00 0.00 N ATOM 892 CA LYS A 481 11.837 -16.612 -5.937 1.00 0.00 C ATOM 893 C LYS A 481 10.452 -17.247 -6.041 1.00 0.00 C ATOM 894 O LYS A 481 9.506 -16.606 -6.501 1.00 0.00 O ATOM 895 CB LYS A 481 12.047 -15.931 -4.581 1.00 0.00 C ATOM 896 CG LYS A 481 12.016 -16.943 -3.435 1.00 0.00 C ATOM 897 CD LYS A 481 12.303 -16.239 -2.108 1.00 0.00 C ATOM 898 CE LYS A 481 12.268 -17.254 -0.968 1.00 0.00 C ATOM 899 NZ LYS A 481 12.549 -16.616 0.333 1.00 0.00 N ATOM 0 H LYS A 481 11.144 -15.120 -7.220 1.00 0.00 H new ATOM 0 HA LYS A 481 12.574 -17.408 -6.041 1.00 0.00 H new ATOM 0 HB2 LYS A 481 13.003 -15.407 -4.580 1.00 0.00 H new ATOM 0 HB3 LYS A 481 11.272 -15.180 -4.426 1.00 0.00 H new ATOM 0 HG2 LYS A 481 11.041 -17.430 -3.395 1.00 0.00 H new ATOM 0 HG3 LYS A 481 12.756 -17.725 -3.609 1.00 0.00 H new ATOM 0 HD2 LYS A 481 13.279 -15.754 -2.146 1.00 0.00 H new ATOM 0 HD3 LYS A 481 11.565 -15.456 -1.934 1.00 0.00 H new ATOM 0 HE2 LYS A 481 11.289 -17.733 -0.936 1.00 0.00 H new ATOM 0 HE3 LYS A 481 13.001 -18.039 -1.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 481 12.517 -17.333 1.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 481 13.493 -16.180 0.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 481 11.835 -15.884 0.522 1.00 0.00 H new ATOM 913 N ASN A 482 10.335 -18.507 -5.613 1.00 0.00 N ATOM 914 CA ASN A 482 9.081 -19.242 -5.652 1.00 0.00 C ATOM 915 C ASN A 482 9.014 -20.207 -4.469 1.00 0.00 C ATOM 916 O ASN A 482 10.044 -20.548 -3.889 1.00 0.00 O ATOM 917 CB ASN A 482 8.994 -19.985 -6.988 1.00 0.00 C ATOM 918 CG ASN A 482 7.618 -20.584 -7.253 1.00 0.00 C ATOM 919 OD1 ASN A 482 6.640 -20.243 -6.594 1.00 0.00 O ATOM 920 ND2 ASN A 482 7.538 -21.487 -8.228 1.00 0.00 N ATOM 0 H ASN A 482 11.114 -19.042 -5.229 1.00 0.00 H new ATOM 0 HA ASN A 482 8.233 -18.562 -5.572 1.00 0.00 H new ATOM 0 HB2 ASN A 482 9.246 -19.298 -7.796 1.00 0.00 H new ATOM 0 HB3 ASN A 482 9.739 -20.781 -7.003 1.00 0.00 H new ATOM 0 HD21 ASN A 482 6.642 -21.921 -8.449 1.00 0.00 H new ATOM 0 HD22 ASN A 482 8.373 -21.745 -8.754 1.00 0.00 H new ATOM 927 N ARG A 483 7.807 -20.649 -4.109 1.00 0.00 N ATOM 928 CA ARG A 483 7.597 -21.574 -3.002 1.00 0.00 C ATOM 929 C ARG A 483 7.928 -23.004 -3.418 1.00 0.00 C ATOM 930 O ARG A 483 7.971 -23.311 -4.612 1.00 0.00 O ATOM 931 CB ARG A 483 6.164 -21.445 -2.480 1.00 0.00 C ATOM 932 CG ARG A 483 5.135 -21.891 -3.527 1.00 0.00 C ATOM 933 CD ARG A 483 3.713 -21.648 -3.020 1.00 0.00 C ATOM 934 NE ARG A 483 3.436 -22.424 -1.809 1.00 0.00 N ATOM 935 CZ ARG A 483 2.427 -22.173 -0.970 1.00 0.00 C ATOM 936 NH1 ARG A 483 1.568 -21.181 -1.200 1.00 0.00 N ATOM 937 NH2 ARG A 483 2.274 -22.925 0.114 1.00 0.00 N ATOM 0 H ARG A 483 6.947 -20.372 -4.582 1.00 0.00 H new ATOM 0 HA ARG A 483 8.275 -21.317 -2.188 1.00 0.00 H new ATOM 0 HB2 ARG A 483 6.050 -22.047 -1.578 1.00 0.00 H new ATOM 0 HB3 ARG A 483 5.971 -20.410 -2.199 1.00 0.00 H new ATOM 0 HG2 ARG A 483 5.294 -21.345 -4.457 1.00 0.00 H new ATOM 0 HG3 ARG A 483 5.271 -22.949 -3.751 1.00 0.00 H new ATOM 0 HD2 ARG A 483 3.576 -20.587 -2.813 1.00 0.00 H new ATOM 0 HD3 ARG A 483 2.997 -21.916 -3.797 1.00 0.00 H new ATOM 0 HE ARG A 483 4.053 -23.207 -1.592 1.00 0.00 H new ATOM 0 HH11 ARG A 483 1.674 -20.597 -2.029 1.00 0.00 H new ATOM 0 HH12 ARG A 483 0.804 -21.006 -0.547 1.00 0.00 H new ATOM 0 HH21 ARG A 483 2.924 -23.688 0.301 1.00 0.00 H new ATOM 0 HH22 ARG A 483 1.506 -22.739 0.759 1.00 0.00 H new ATOM 951 N ASP A 484 8.162 -23.872 -2.434 1.00 0.00 N ATOM 952 CA ASP A 484 8.506 -25.271 -2.673 1.00 0.00 C ATOM 953 C ASP A 484 7.794 -26.206 -1.694 1.00 0.00 C ATOM 954 O ASP A 484 8.076 -27.405 -1.674 1.00 0.00 O ATOM 955 CB ASP A 484 10.026 -25.445 -2.612 1.00 0.00 C ATOM 956 CG ASP A 484 10.582 -25.253 -1.199 1.00 0.00 C ATOM 957 OD1 ASP A 484 10.397 -24.147 -0.642 1.00 0.00 O ATOM 958 OD2 ASP A 484 11.189 -26.215 -0.683 1.00 0.00 O ATOM 0 H ASP A 484 8.118 -23.623 -1.446 1.00 0.00 H new ATOM 0 HA ASP A 484 8.161 -25.546 -3.670 1.00 0.00 H new ATOM 0 HB2 ASP A 484 10.289 -26.440 -2.970 1.00 0.00 H new ATOM 0 HB3 ASP A 484 10.498 -24.729 -3.285 1.00 0.00 H new ATOM 963 N SER A 485 6.875 -25.669 -0.883 1.00 0.00 N ATOM 964 CA SER A 485 6.132 -26.442 0.102 1.00 0.00 C ATOM 965 C SER A 485 4.679 -25.975 0.170 1.00 0.00 C ATOM 966 O SER A 485 4.357 -24.858 -0.241 1.00 0.00 O ATOM 967 CB SER A 485 6.781 -26.294 1.481 1.00 0.00 C ATOM 968 OG SER A 485 8.112 -26.773 1.460 1.00 0.00 O ATOM 0 H SER A 485 6.629 -24.679 -0.897 1.00 0.00 H new ATOM 0 HA SER A 485 6.151 -27.489 -0.199 1.00 0.00 H new ATOM 0 HB2 SER A 485 6.771 -25.247 1.783 1.00 0.00 H new ATOM 0 HB3 SER A 485 6.202 -26.845 2.222 1.00 0.00 H new ATOM 0 HG SER A 485 8.511 -26.669 2.349 1.00 0.00 H new ATOM 974 N SER A 486 3.803 -26.839 0.691 1.00 0.00 N ATOM 975 CA SER A 486 2.384 -26.555 0.845 1.00 0.00 C ATOM 976 C SER A 486 1.815 -27.274 2.064 1.00 0.00 C ATOM 977 O SER A 486 0.722 -26.864 2.507 1.00 0.00 O ATOM 978 CB SER A 486 1.635 -26.972 -0.425 1.00 0.00 C ATOM 979 OG SER A 486 1.808 -28.356 -0.659 1.00 0.00 O ATOM 980 OXT SER A 486 2.475 -28.224 2.549 1.00 0.00 O ATOM 0 H SER A 486 4.069 -27.767 1.021 1.00 0.00 H new ATOM 0 HA SER A 486 2.255 -25.484 1.000 1.00 0.00 H new ATOM 0 HB2 SER A 486 0.574 -26.742 -0.323 1.00 0.00 H new ATOM 0 HB3 SER A 486 2.004 -26.402 -1.278 1.00 0.00 H new ATOM 0 HG SER A 486 1.324 -28.613 -1.472 1.00 0.00 H new TER 986 SER A 486 HETATM 987 ZN ZN A 501 0.730 -5.723 5.228 1.00 0.00 ZN HETATM 988 ZN ZN A 502 2.703 3.844 -2.968 1.00 0.00 ZN