USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 553 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 597 MET CE :methyl -113:sc= -3.57 (180deg=-4.06!) USER MOD Set 1.2: A 600 MET CE :methyl -109:sc= -6.03! (180deg=-7.83!) USER MOD Set 2.1: A 561 CYS SG : rot 123:sc= -0.155 USER MOD Set 2.2: A 596 MET CE :methyl -112:sc= -1.9 (180deg=-2.75) USER MOD Single : A 544 ASN : amide:sc= -2.81! X(o=-2.8!,f=-2.6) USER MOD Single : A 550 THR OG1 : rot 180:sc= 0 USER MOD Single : A 552 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 553 MET CE :methyl -174:sc= -0.591 (180deg=-0.624) USER MOD Single : A 555 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 557 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 559 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 563 HIS :FLIP no HD1:sc= -0.729 F(o=-2.4!,f=-0.73) USER MOD Single : A 566 TYR OH : rot 180:sc= -0.879 USER MOD Single : A 570 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 577 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 579 CYS SG : rot 3:sc= 0.376 USER MOD Single : A 583 LYS NZ :NH3+ 157:sc= -0.192 (180deg=-1.15) USER MOD Single : A 586 SER OG : rot 180:sc= 0 USER MOD Single : A 594 CYS SG : rot 72:sc= -2.13 USER MOD Single : A 598 ASN : amide:sc= -2.77 K(o=-2.8,f=-7.3!) USER MOD Single : A 601 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 603 SER OG : rot -52:sc= 0.00286 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 539 -6.036 11.508 5.004 1.00 0.00 N ATOM 60 CA GLY A 539 -5.269 10.352 5.430 1.00 0.00 C ATOM 61 C GLY A 539 -6.139 9.132 5.657 1.00 0.00 C ATOM 62 O GLY A 539 -7.217 9.230 6.245 1.00 0.00 O ATOM 0 HA2 GLY A 539 -4.515 10.122 4.677 1.00 0.00 H new ATOM 0 HA3 GLY A 539 -4.737 10.592 6.351 1.00 0.00 H new ATOM 66 N ILE A 540 -5.673 7.979 5.189 1.00 0.00 N ATOM 67 CA ILE A 540 -6.416 6.735 5.344 1.00 0.00 C ATOM 68 C ILE A 540 -5.834 5.883 6.466 1.00 0.00 C ATOM 69 O ILE A 540 -4.830 6.246 7.080 1.00 0.00 O ATOM 70 CB ILE A 540 -6.420 5.915 4.040 1.00 0.00 C ATOM 71 CG1 ILE A 540 -5.085 5.186 3.867 1.00 0.00 C ATOM 72 CG2 ILE A 540 -6.695 6.818 2.847 1.00 0.00 C ATOM 73 CD1 ILE A 540 -5.054 4.258 2.673 1.00 0.00 C ATOM 0 H ILE A 540 -4.784 7.881 4.699 1.00 0.00 H new ATOM 0 HA ILE A 540 -7.441 7.009 5.594 1.00 0.00 H new ATOM 0 HB ILE A 540 -7.215 5.171 4.098 1.00 0.00 H new ATOM 0 HG12 ILE A 540 -4.288 5.923 3.765 1.00 0.00 H new ATOM 0 HG13 ILE A 540 -4.874 4.612 4.769 1.00 0.00 H new ATOM 0 HG21 ILE A 540 -6.695 6.224 1.933 1.00 0.00 H new ATOM 0 HG22 ILE A 540 -7.667 7.296 2.969 1.00 0.00 H new ATOM 0 HG23 ILE A 540 -5.921 7.582 2.783 1.00 0.00 H new ATOM 0 HD11 ILE A 540 -4.078 3.776 2.612 1.00 0.00 H new ATOM 0 HD12 ILE A 540 -5.828 3.499 2.782 1.00 0.00 H new ATOM 0 HD13 ILE A 540 -5.233 4.830 1.763 1.00 0.00 H new ATOM 85 N PHE A 541 -6.469 4.745 6.729 1.00 0.00 N ATOM 86 CA PHE A 541 -6.014 3.840 7.777 1.00 0.00 C ATOM 87 C PHE A 541 -6.079 2.389 7.308 1.00 0.00 C ATOM 88 O PHE A 541 -6.962 2.013 6.537 1.00 0.00 O ATOM 89 CB PHE A 541 -6.861 4.019 9.039 1.00 0.00 C ATOM 90 CG PHE A 541 -6.130 3.676 10.305 1.00 0.00 C ATOM 91 CD1 PHE A 541 -5.984 2.356 10.701 1.00 0.00 C ATOM 92 CD2 PHE A 541 -5.590 4.674 11.100 1.00 0.00 C ATOM 93 CE1 PHE A 541 -5.312 2.037 11.866 1.00 0.00 C ATOM 94 CE2 PHE A 541 -4.916 4.361 12.266 1.00 0.00 C ATOM 95 CZ PHE A 541 -4.778 3.041 12.650 1.00 0.00 C ATOM 0 H PHE A 541 -7.300 4.428 6.230 1.00 0.00 H new ATOM 0 HA PHE A 541 -4.977 4.083 8.007 1.00 0.00 H new ATOM 0 HB2 PHE A 541 -7.202 5.053 9.094 1.00 0.00 H new ATOM 0 HB3 PHE A 541 -7.750 3.394 8.962 1.00 0.00 H new ATOM 0 HD1 PHE A 541 -6.400 1.567 10.092 1.00 0.00 H new ATOM 0 HD2 PHE A 541 -5.697 5.708 10.806 1.00 0.00 H new ATOM 0 HE1 PHE A 541 -5.205 1.004 12.163 1.00 0.00 H new ATOM 0 HE2 PHE A 541 -4.498 5.148 12.876 1.00 0.00 H new ATOM 0 HZ PHE A 541 -4.254 2.795 13.561 1.00 0.00 H new ATOM 105 N VAL A 542 -5.138 1.578 7.780 1.00 0.00 N ATOM 106 CA VAL A 542 -5.088 0.168 7.411 1.00 0.00 C ATOM 107 C VAL A 542 -4.984 -0.720 8.646 1.00 0.00 C ATOM 108 O VAL A 542 -4.488 -0.294 9.689 1.00 0.00 O ATOM 109 CB VAL A 542 -3.897 -0.126 6.479 1.00 0.00 C ATOM 110 CG1 VAL A 542 -4.077 -1.470 5.790 1.00 0.00 C ATOM 111 CG2 VAL A 542 -3.733 0.989 5.457 1.00 0.00 C ATOM 0 H VAL A 542 -4.400 1.873 8.419 1.00 0.00 H new ATOM 0 HA VAL A 542 -6.016 -0.055 6.884 1.00 0.00 H new ATOM 0 HB VAL A 542 -2.989 -0.172 7.081 1.00 0.00 H new ATOM 0 HG11 VAL A 542 -3.226 -1.660 5.136 1.00 0.00 H new ATOM 0 HG12 VAL A 542 -4.141 -2.258 6.540 1.00 0.00 H new ATOM 0 HG13 VAL A 542 -4.993 -1.456 5.199 1.00 0.00 H new ATOM 0 HG21 VAL A 542 -2.887 0.765 4.807 1.00 0.00 H new ATOM 0 HG22 VAL A 542 -4.640 1.070 4.858 1.00 0.00 H new ATOM 0 HG23 VAL A 542 -3.554 1.932 5.973 1.00 0.00 H new ATOM 121 N ARG A 543 -5.453 -1.957 8.519 1.00 0.00 N ATOM 122 CA ARG A 543 -5.414 -2.906 9.625 1.00 0.00 C ATOM 123 C ARG A 543 -5.175 -4.324 9.116 1.00 0.00 C ATOM 124 O ARG A 543 -5.257 -4.586 7.917 1.00 0.00 O ATOM 125 CB ARG A 543 -6.720 -2.850 10.420 1.00 0.00 C ATOM 126 CG ARG A 543 -6.704 -1.831 11.548 1.00 0.00 C ATOM 127 CD ARG A 543 -7.837 -2.073 12.533 1.00 0.00 C ATOM 128 NE ARG A 543 -7.649 -1.329 13.776 1.00 0.00 N ATOM 129 CZ ARG A 543 -8.568 -1.254 14.732 1.00 0.00 C ATOM 130 NH1 ARG A 543 -9.731 -1.874 14.590 1.00 0.00 N ATOM 131 NH2 ARG A 543 -8.323 -0.557 15.835 1.00 0.00 N ATOM 0 H ARG A 543 -5.864 -2.325 7.661 1.00 0.00 H new ATOM 0 HA ARG A 543 -4.587 -2.630 10.279 1.00 0.00 H new ATOM 0 HB2 ARG A 543 -7.539 -2.614 9.741 1.00 0.00 H new ATOM 0 HB3 ARG A 543 -6.925 -3.836 10.836 1.00 0.00 H new ATOM 0 HG2 ARG A 543 -5.749 -1.880 12.071 1.00 0.00 H new ATOM 0 HG3 ARG A 543 -6.789 -0.826 11.134 1.00 0.00 H new ATOM 0 HD2 ARG A 543 -8.783 -1.783 12.076 1.00 0.00 H new ATOM 0 HD3 ARG A 543 -7.904 -3.138 12.754 1.00 0.00 H new ATOM 0 HE ARG A 543 -6.765 -0.841 13.917 1.00 0.00 H new ATOM 0 HH11 ARG A 543 -9.923 -2.411 13.744 1.00 0.00 H new ATOM 0 HH12 ARG A 543 -10.434 -1.814 15.326 1.00 0.00 H new ATOM 0 HH21 ARG A 543 -7.429 -0.079 15.948 1.00 0.00 H new ATOM 0 HH22 ARG A 543 -9.029 -0.499 16.569 1.00 0.00 H new ATOM 145 N ASN A 544 -4.880 -5.236 10.037 1.00 0.00 N ATOM 146 CA ASN A 544 -4.629 -6.628 9.682 1.00 0.00 C ATOM 147 C ASN A 544 -3.419 -6.744 8.760 1.00 0.00 C ATOM 148 O ASN A 544 -3.383 -7.592 7.867 1.00 0.00 O ATOM 149 CB ASN A 544 -5.860 -7.233 9.004 1.00 0.00 C ATOM 150 CG ASN A 544 -5.860 -8.749 9.053 1.00 0.00 C ATOM 151 OD1 ASN A 544 -6.506 -9.354 9.908 1.00 0.00 O ATOM 152 ND2 ASN A 544 -5.132 -9.370 8.131 1.00 0.00 N ATOM 0 H ASN A 544 -4.809 -5.036 11.035 1.00 0.00 H new ATOM 0 HA ASN A 544 -4.420 -7.179 10.599 1.00 0.00 H new ATOM 0 HB2 ASN A 544 -6.761 -6.856 9.489 1.00 0.00 H new ATOM 0 HB3 ASN A 544 -5.897 -6.906 7.965 1.00 0.00 H new ATOM 0 HD21 ASN A 544 -5.093 -10.389 8.113 1.00 0.00 H new ATOM 0 HD22 ASN A 544 -4.612 -8.828 7.441 1.00 0.00 H new ATOM 159 N LEU A 545 -2.429 -5.887 8.982 1.00 0.00 N ATOM 160 CA LEU A 545 -1.215 -5.892 8.172 1.00 0.00 C ATOM 161 C LEU A 545 -0.207 -6.903 8.709 1.00 0.00 C ATOM 162 O LEU A 545 -0.023 -7.052 9.917 1.00 0.00 O ATOM 163 CB LEU A 545 -0.590 -4.497 8.145 1.00 0.00 C ATOM 164 CG LEU A 545 -1.430 -3.398 7.493 1.00 0.00 C ATOM 165 CD1 LEU A 545 -0.960 -2.025 7.950 1.00 0.00 C ATOM 166 CD2 LEU A 545 -1.367 -3.507 5.977 1.00 0.00 C ATOM 0 H LEU A 545 -2.443 -5.179 9.716 1.00 0.00 H new ATOM 0 HA LEU A 545 -1.486 -6.181 7.157 1.00 0.00 H new ATOM 0 HB2 LEU A 545 -0.371 -4.199 9.170 1.00 0.00 H new ATOM 0 HB3 LEU A 545 0.363 -4.558 7.620 1.00 0.00 H new ATOM 0 HG LEU A 545 -2.467 -3.527 7.804 1.00 0.00 H new ATOM 0 HD11 LEU A 545 -1.569 -1.255 7.476 1.00 0.00 H new ATOM 0 HD12 LEU A 545 -1.057 -1.949 9.033 1.00 0.00 H new ATOM 0 HD13 LEU A 545 0.084 -1.886 7.669 1.00 0.00 H new ATOM 0 HD21 LEU A 545 -1.971 -2.717 5.530 1.00 0.00 H new ATOM 0 HD22 LEU A 545 -0.333 -3.404 5.647 1.00 0.00 H new ATOM 0 HD23 LEU A 545 -1.752 -4.478 5.666 1.00 0.00 H new ATOM 178 N PRO A 546 0.465 -7.614 7.791 1.00 0.00 N ATOM 179 CA PRO A 546 1.468 -8.622 8.149 1.00 0.00 C ATOM 180 C PRO A 546 2.731 -7.999 8.734 1.00 0.00 C ATOM 181 O PRO A 546 3.154 -6.920 8.318 1.00 0.00 O ATOM 182 CB PRO A 546 1.777 -9.304 6.814 1.00 0.00 C ATOM 183 CG PRO A 546 1.449 -8.282 5.781 1.00 0.00 C ATOM 184 CD PRO A 546 0.297 -7.489 6.334 1.00 0.00 C ATOM 0 HA PRO A 546 1.105 -9.304 8.918 1.00 0.00 H new ATOM 0 HB2 PRO A 546 2.823 -9.604 6.756 1.00 0.00 H new ATOM 0 HB3 PRO A 546 1.179 -10.206 6.682 1.00 0.00 H new ATOM 0 HG2 PRO A 546 2.306 -7.639 5.583 1.00 0.00 H new ATOM 0 HG3 PRO A 546 1.180 -8.754 4.836 1.00 0.00 H new ATOM 0 HD2 PRO A 546 0.335 -6.448 6.013 1.00 0.00 H new ATOM 0 HD3 PRO A 546 -0.662 -7.890 6.004 1.00 0.00 H new ATOM 192 N PHE A 547 3.331 -8.686 9.700 1.00 0.00 N ATOM 193 CA PHE A 547 4.546 -8.200 10.343 1.00 0.00 C ATOM 194 C PHE A 547 5.559 -7.728 9.304 1.00 0.00 C ATOM 195 O PHE A 547 5.905 -6.548 9.250 1.00 0.00 O ATOM 196 CB PHE A 547 5.163 -9.299 11.211 1.00 0.00 C ATOM 197 CG PHE A 547 4.246 -9.795 12.292 1.00 0.00 C ATOM 198 CD1 PHE A 547 3.685 -8.914 13.202 1.00 0.00 C ATOM 199 CD2 PHE A 547 3.945 -11.143 12.398 1.00 0.00 C ATOM 200 CE1 PHE A 547 2.840 -9.367 14.197 1.00 0.00 C ATOM 201 CE2 PHE A 547 3.100 -11.603 13.391 1.00 0.00 C ATOM 202 CZ PHE A 547 2.548 -10.714 14.292 1.00 0.00 C ATOM 0 H PHE A 547 2.995 -9.581 10.055 1.00 0.00 H new ATOM 0 HA PHE A 547 4.279 -7.353 10.976 1.00 0.00 H new ATOM 0 HB2 PHE A 547 5.448 -10.137 10.574 1.00 0.00 H new ATOM 0 HB3 PHE A 547 6.078 -8.920 11.667 1.00 0.00 H new ATOM 0 HD1 PHE A 547 3.911 -7.860 13.133 1.00 0.00 H new ATOM 0 HD2 PHE A 547 4.375 -11.843 11.697 1.00 0.00 H new ATOM 0 HE1 PHE A 547 2.408 -8.669 14.899 1.00 0.00 H new ATOM 0 HE2 PHE A 547 2.872 -12.656 13.462 1.00 0.00 H new ATOM 0 HZ PHE A 547 1.889 -11.071 15.070 1.00 0.00 H new ATOM 212 N ASP A 548 6.031 -8.659 8.482 1.00 0.00 N ATOM 213 CA ASP A 548 7.004 -8.339 7.444 1.00 0.00 C ATOM 214 C ASP A 548 6.764 -6.940 6.885 1.00 0.00 C ATOM 215 O ASP A 548 7.707 -6.222 6.554 1.00 0.00 O ATOM 216 CB ASP A 548 6.937 -9.370 6.316 1.00 0.00 C ATOM 217 CG ASP A 548 8.212 -9.418 5.498 1.00 0.00 C ATOM 218 OD1 ASP A 548 9.302 -9.271 6.089 1.00 0.00 O ATOM 219 OD2 ASP A 548 8.120 -9.604 4.267 1.00 0.00 O ATOM 0 H ASP A 548 5.756 -9.641 8.514 1.00 0.00 H new ATOM 0 HA ASP A 548 7.997 -8.366 7.892 1.00 0.00 H new ATOM 0 HB2 ASP A 548 6.744 -10.355 6.740 1.00 0.00 H new ATOM 0 HB3 ASP A 548 6.098 -9.134 5.662 1.00 0.00 H new ATOM 224 N PHE A 549 5.494 -6.560 6.783 1.00 0.00 N ATOM 225 CA PHE A 549 5.129 -5.247 6.263 1.00 0.00 C ATOM 226 C PHE A 549 5.882 -4.142 6.997 1.00 0.00 C ATOM 227 O PHE A 549 5.674 -3.919 8.191 1.00 0.00 O ATOM 228 CB PHE A 549 3.621 -5.025 6.392 1.00 0.00 C ATOM 229 CG PHE A 549 3.050 -4.143 5.319 1.00 0.00 C ATOM 230 CD1 PHE A 549 2.771 -4.653 4.061 1.00 0.00 C ATOM 231 CD2 PHE A 549 2.793 -2.805 5.568 1.00 0.00 C ATOM 232 CE1 PHE A 549 2.246 -3.843 3.072 1.00 0.00 C ATOM 233 CE2 PHE A 549 2.268 -1.990 4.583 1.00 0.00 C ATOM 234 CZ PHE A 549 1.993 -2.510 3.333 1.00 0.00 C ATOM 0 H PHE A 549 4.701 -7.142 7.053 1.00 0.00 H new ATOM 0 HA PHE A 549 5.405 -5.212 5.209 1.00 0.00 H new ATOM 0 HB2 PHE A 549 3.116 -5.991 6.364 1.00 0.00 H new ATOM 0 HB3 PHE A 549 3.409 -4.583 7.365 1.00 0.00 H new ATOM 0 HD1 PHE A 549 2.966 -5.694 3.851 1.00 0.00 H new ATOM 0 HD2 PHE A 549 3.005 -2.394 6.544 1.00 0.00 H new ATOM 0 HE1 PHE A 549 2.034 -4.252 2.095 1.00 0.00 H new ATOM 0 HE2 PHE A 549 2.073 -0.948 4.790 1.00 0.00 H new ATOM 0 HZ PHE A 549 1.581 -1.876 2.562 1.00 0.00 H new ATOM 244 N THR A 550 6.760 -3.452 6.276 1.00 0.00 N ATOM 245 CA THR A 550 7.546 -2.371 6.858 1.00 0.00 C ATOM 246 C THR A 550 7.088 -1.015 6.335 1.00 0.00 C ATOM 247 O THR A 550 6.597 -0.906 5.211 1.00 0.00 O ATOM 248 CB THR A 550 9.047 -2.544 6.559 1.00 0.00 C ATOM 249 OG1 THR A 550 9.234 -2.905 5.186 1.00 0.00 O ATOM 250 CG2 THR A 550 9.658 -3.609 7.457 1.00 0.00 C ATOM 0 H THR A 550 6.945 -3.623 5.287 1.00 0.00 H new ATOM 0 HA THR A 550 7.391 -2.412 7.936 1.00 0.00 H new ATOM 0 HB THR A 550 9.546 -1.595 6.756 1.00 0.00 H new ATOM 0 HG1 THR A 550 10.191 -3.012 5.003 1.00 0.00 H new ATOM 0 HG21 THR A 550 10.718 -3.714 7.228 1.00 0.00 H new ATOM 0 HG22 THR A 550 9.539 -3.317 8.500 1.00 0.00 H new ATOM 0 HG23 THR A 550 9.154 -4.561 7.287 1.00 0.00 H new ATOM 258 N TRP A 551 7.252 0.017 7.155 1.00 0.00 N ATOM 259 CA TRP A 551 6.856 1.368 6.773 1.00 0.00 C ATOM 260 C TRP A 551 7.134 1.619 5.295 1.00 0.00 C ATOM 261 O TRP A 551 6.275 2.115 4.567 1.00 0.00 O ATOM 262 CB TRP A 551 7.595 2.399 7.627 1.00 0.00 C ATOM 263 CG TRP A 551 9.075 2.412 7.393 1.00 0.00 C ATOM 264 CD1 TRP A 551 10.013 1.651 8.031 1.00 0.00 C ATOM 265 CD2 TRP A 551 9.788 3.228 6.457 1.00 0.00 C ATOM 266 NE1 TRP A 551 11.265 1.945 7.547 1.00 0.00 N ATOM 267 CE2 TRP A 551 11.154 2.909 6.580 1.00 0.00 C ATOM 268 CE3 TRP A 551 9.404 4.196 5.524 1.00 0.00 C ATOM 269 CZ2 TRP A 551 12.135 3.524 5.807 1.00 0.00 C ATOM 270 CZ3 TRP A 551 10.379 4.806 4.758 1.00 0.00 C ATOM 271 CH2 TRP A 551 11.731 4.468 4.903 1.00 0.00 C ATOM 0 H TRP A 551 7.656 -0.056 8.089 1.00 0.00 H new ATOM 0 HA TRP A 551 5.784 1.468 6.943 1.00 0.00 H new ATOM 0 HB2 TRP A 551 7.192 3.390 7.417 1.00 0.00 H new ATOM 0 HB3 TRP A 551 7.403 2.193 8.680 1.00 0.00 H new ATOM 0 HD1 TRP A 551 9.802 0.925 8.802 1.00 0.00 H new ATOM 0 HE1 TRP A 551 12.136 1.515 7.858 1.00 0.00 H new ATOM 0 HE3 TRP A 551 8.364 4.462 5.404 1.00 0.00 H new ATOM 0 HZ2 TRP A 551 13.178 3.265 5.917 1.00 0.00 H new ATOM 0 HZ3 TRP A 551 10.094 5.556 4.035 1.00 0.00 H new ATOM 0 HH2 TRP A 551 12.469 4.963 4.289 1.00 0.00 H new ATOM 282 N LYS A 552 8.341 1.275 4.858 1.00 0.00 N ATOM 283 CA LYS A 552 8.733 1.462 3.466 1.00 0.00 C ATOM 284 C LYS A 552 7.654 0.941 2.522 1.00 0.00 C ATOM 285 O LYS A 552 7.258 1.625 1.579 1.00 0.00 O ATOM 286 CB LYS A 552 10.057 0.748 3.187 1.00 0.00 C ATOM 287 CG LYS A 552 11.281 1.576 3.542 1.00 0.00 C ATOM 288 CD LYS A 552 12.530 1.045 2.859 1.00 0.00 C ATOM 289 CE LYS A 552 12.639 1.548 1.428 1.00 0.00 C ATOM 290 NZ LYS A 552 14.057 1.670 0.989 1.00 0.00 N ATOM 0 H LYS A 552 9.065 0.865 5.448 1.00 0.00 H new ATOM 0 HA LYS A 552 8.859 2.530 3.291 1.00 0.00 H new ATOM 0 HB2 LYS A 552 10.083 -0.184 3.751 1.00 0.00 H new ATOM 0 HB3 LYS A 552 10.102 0.483 2.131 1.00 0.00 H new ATOM 0 HG2 LYS A 552 11.118 2.613 3.249 1.00 0.00 H new ATOM 0 HG3 LYS A 552 11.425 1.569 4.622 1.00 0.00 H new ATOM 0 HD2 LYS A 552 13.412 1.351 3.422 1.00 0.00 H new ATOM 0 HD3 LYS A 552 12.512 -0.045 2.862 1.00 0.00 H new ATOM 0 HE2 LYS A 552 12.110 0.866 0.762 1.00 0.00 H new ATOM 0 HE3 LYS A 552 12.149 2.518 1.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 552 14.088 2.016 0.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 552 14.556 2.340 1.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 552 14.518 0.740 1.043 1.00 0.00 H new ATOM 304 N MET A 553 7.181 -0.273 2.784 1.00 0.00 N ATOM 305 CA MET A 553 6.146 -0.884 1.958 1.00 0.00 C ATOM 306 C MET A 553 4.892 -0.015 1.927 1.00 0.00 C ATOM 307 O MET A 553 4.456 0.425 0.863 1.00 0.00 O ATOM 308 CB MET A 553 5.801 -2.278 2.484 1.00 0.00 C ATOM 309 CG MET A 553 6.910 -3.297 2.277 1.00 0.00 C ATOM 310 SD MET A 553 6.451 -4.947 2.840 1.00 0.00 S ATOM 311 CE MET A 553 5.240 -5.403 1.602 1.00 0.00 C ATOM 0 H MET A 553 7.498 -0.853 3.561 1.00 0.00 H new ATOM 0 HA MET A 553 6.531 -0.972 0.942 1.00 0.00 H new ATOM 0 HB2 MET A 553 5.575 -2.210 3.548 1.00 0.00 H new ATOM 0 HB3 MET A 553 4.897 -2.631 1.988 1.00 0.00 H new ATOM 0 HG2 MET A 553 7.168 -3.337 1.219 1.00 0.00 H new ATOM 0 HG3 MET A 553 7.802 -2.970 2.811 1.00 0.00 H new ATOM 0 HE1 MET A 553 4.784 -6.356 1.872 1.00 0.00 H new ATOM 0 HE2 MET A 553 4.469 -4.635 1.547 1.00 0.00 H new ATOM 0 HE3 MET A 553 5.729 -5.497 0.632 1.00 0.00 H new ATOM 321 N LEU A 554 4.317 0.228 3.100 1.00 0.00 N ATOM 322 CA LEU A 554 3.113 1.045 3.207 1.00 0.00 C ATOM 323 C LEU A 554 3.161 2.216 2.231 1.00 0.00 C ATOM 324 O LEU A 554 2.173 2.521 1.562 1.00 0.00 O ATOM 325 CB LEU A 554 2.951 1.564 4.637 1.00 0.00 C ATOM 326 CG LEU A 554 1.631 2.270 4.949 1.00 0.00 C ATOM 327 CD1 LEU A 554 0.514 1.256 5.139 1.00 0.00 C ATOM 328 CD2 LEU A 554 1.774 3.146 6.185 1.00 0.00 C ATOM 0 H LEU A 554 4.665 -0.129 3.990 1.00 0.00 H new ATOM 0 HA LEU A 554 2.256 0.421 2.954 1.00 0.00 H new ATOM 0 HB2 LEU A 554 3.061 0.723 5.322 1.00 0.00 H new ATOM 0 HB3 LEU A 554 3.768 2.255 4.846 1.00 0.00 H new ATOM 0 HG LEU A 554 1.374 2.908 4.103 1.00 0.00 H new ATOM 0 HD11 LEU A 554 -0.417 1.778 5.360 1.00 0.00 H new ATOM 0 HD12 LEU A 554 0.395 0.671 4.227 1.00 0.00 H new ATOM 0 HD13 LEU A 554 0.763 0.591 5.966 1.00 0.00 H new ATOM 0 HD21 LEU A 554 0.825 3.641 6.392 1.00 0.00 H new ATOM 0 HD22 LEU A 554 2.055 2.528 7.038 1.00 0.00 H new ATOM 0 HD23 LEU A 554 2.544 3.897 6.011 1.00 0.00 H new ATOM 340 N LYS A 555 4.316 2.868 2.153 1.00 0.00 N ATOM 341 CA LYS A 555 4.495 4.003 1.256 1.00 0.00 C ATOM 342 C LYS A 555 4.508 3.550 -0.200 1.00 0.00 C ATOM 343 O LYS A 555 3.605 3.877 -0.970 1.00 0.00 O ATOM 344 CB LYS A 555 5.796 4.739 1.585 1.00 0.00 C ATOM 345 CG LYS A 555 6.170 5.799 0.563 1.00 0.00 C ATOM 346 CD LYS A 555 7.674 6.008 0.502 1.00 0.00 C ATOM 347 CE LYS A 555 8.027 7.320 -0.182 1.00 0.00 C ATOM 348 NZ LYS A 555 8.195 7.151 -1.652 1.00 0.00 N ATOM 0 H LYS A 555 5.143 2.629 2.701 1.00 0.00 H new ATOM 0 HA LYS A 555 3.655 4.682 1.398 1.00 0.00 H new ATOM 0 HB2 LYS A 555 5.701 5.208 2.564 1.00 0.00 H new ATOM 0 HB3 LYS A 555 6.606 4.013 1.657 1.00 0.00 H new ATOM 0 HG2 LYS A 555 5.802 5.504 -0.420 1.00 0.00 H new ATOM 0 HG3 LYS A 555 5.681 6.739 0.817 1.00 0.00 H new ATOM 0 HD2 LYS A 555 8.085 6.001 1.512 1.00 0.00 H new ATOM 0 HD3 LYS A 555 8.136 5.180 -0.036 1.00 0.00 H new ATOM 0 HE2 LYS A 555 7.244 8.053 0.012 1.00 0.00 H new ATOM 0 HE3 LYS A 555 8.948 7.716 0.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 555 8.435 8.067 -2.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 555 8.959 6.471 -1.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 555 7.308 6.797 -2.064 1.00 0.00 H new ATOM 362 N ASP A 556 5.536 2.794 -0.570 1.00 0.00 N ATOM 363 CA ASP A 556 5.666 2.293 -1.933 1.00 0.00 C ATOM 364 C ASP A 556 4.422 1.512 -2.346 1.00 0.00 C ATOM 365 O ASP A 556 3.724 1.887 -3.288 1.00 0.00 O ATOM 366 CB ASP A 556 6.905 1.406 -2.058 1.00 0.00 C ATOM 367 CG ASP A 556 7.419 1.325 -3.482 1.00 0.00 C ATOM 368 OD1 ASP A 556 6.888 0.503 -4.258 1.00 0.00 O ATOM 369 OD2 ASP A 556 8.352 2.084 -3.820 1.00 0.00 O ATOM 0 H ASP A 556 6.292 2.515 0.056 1.00 0.00 H new ATOM 0 HA ASP A 556 5.774 3.149 -2.599 1.00 0.00 H new ATOM 0 HB2 ASP A 556 7.693 1.794 -1.412 1.00 0.00 H new ATOM 0 HB3 ASP A 556 6.667 0.403 -1.703 1.00 0.00 H new ATOM 374 N LYS A 557 4.150 0.424 -1.634 1.00 0.00 N ATOM 375 CA LYS A 557 2.991 -0.412 -1.924 1.00 0.00 C ATOM 376 C LYS A 557 1.795 0.442 -2.335 1.00 0.00 C ATOM 377 O LYS A 557 1.053 0.088 -3.252 1.00 0.00 O ATOM 378 CB LYS A 557 2.629 -1.261 -0.704 1.00 0.00 C ATOM 379 CG LYS A 557 1.252 -1.896 -0.791 1.00 0.00 C ATOM 380 CD LYS A 557 1.123 -2.780 -2.019 1.00 0.00 C ATOM 381 CE LYS A 557 1.572 -4.205 -1.731 1.00 0.00 C ATOM 382 NZ LYS A 557 2.126 -4.868 -2.943 1.00 0.00 N ATOM 0 H LYS A 557 4.717 0.100 -0.851 1.00 0.00 H new ATOM 0 HA LYS A 557 3.248 -1.071 -2.753 1.00 0.00 H new ATOM 0 HB2 LYS A 557 3.375 -2.047 -0.584 1.00 0.00 H new ATOM 0 HB3 LYS A 557 2.677 -0.638 0.189 1.00 0.00 H new ATOM 0 HG2 LYS A 557 1.066 -2.487 0.105 1.00 0.00 H new ATOM 0 HG3 LYS A 557 0.492 -1.116 -0.822 1.00 0.00 H new ATOM 0 HD2 LYS A 557 0.087 -2.785 -2.357 1.00 0.00 H new ATOM 0 HD3 LYS A 557 1.721 -2.366 -2.831 1.00 0.00 H new ATOM 0 HE2 LYS A 557 2.327 -4.196 -0.945 1.00 0.00 H new ATOM 0 HE3 LYS A 557 0.728 -4.783 -1.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 557 2.420 -5.837 -2.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 557 1.398 -4.900 -3.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 557 2.948 -4.331 -3.287 1.00 0.00 H new ATOM 396 N PHE A 558 1.614 1.567 -1.652 1.00 0.00 N ATOM 397 CA PHE A 558 0.508 2.471 -1.947 1.00 0.00 C ATOM 398 C PHE A 558 0.885 3.446 -3.059 1.00 0.00 C ATOM 399 O PHE A 558 0.030 3.893 -3.823 1.00 0.00 O ATOM 400 CB PHE A 558 0.105 3.244 -0.690 1.00 0.00 C ATOM 401 CG PHE A 558 -0.661 2.417 0.302 1.00 0.00 C ATOM 402 CD1 PHE A 558 -0.198 1.170 0.689 1.00 0.00 C ATOM 403 CD2 PHE A 558 -1.844 2.887 0.849 1.00 0.00 C ATOM 404 CE1 PHE A 558 -0.902 0.407 1.602 1.00 0.00 C ATOM 405 CE2 PHE A 558 -2.552 2.129 1.762 1.00 0.00 C ATOM 406 CZ PHE A 558 -2.079 0.887 2.140 1.00 0.00 C ATOM 0 H PHE A 558 2.219 1.875 -0.890 1.00 0.00 H new ATOM 0 HA PHE A 558 -0.338 1.873 -2.284 1.00 0.00 H new ATOM 0 HB2 PHE A 558 1.002 3.634 -0.210 1.00 0.00 H new ATOM 0 HB3 PHE A 558 -0.501 4.103 -0.980 1.00 0.00 H new ATOM 0 HD1 PHE A 558 0.723 0.790 0.273 1.00 0.00 H new ATOM 0 HD2 PHE A 558 -2.217 3.858 0.558 1.00 0.00 H new ATOM 0 HE1 PHE A 558 -0.531 -0.564 1.894 1.00 0.00 H new ATOM 0 HE2 PHE A 558 -3.474 2.507 2.179 1.00 0.00 H new ATOM 0 HZ PHE A 558 -2.629 0.293 2.855 1.00 0.00 H new ATOM 416 N ASN A 559 2.171 3.772 -3.142 1.00 0.00 N ATOM 417 CA ASN A 559 2.661 4.695 -4.159 1.00 0.00 C ATOM 418 C ASN A 559 2.096 4.342 -5.531 1.00 0.00 C ATOM 419 O ASN A 559 2.048 5.183 -6.428 1.00 0.00 O ATOM 420 CB ASN A 559 4.190 4.672 -4.203 1.00 0.00 C ATOM 421 CG ASN A 559 4.764 5.848 -4.970 1.00 0.00 C ATOM 422 OD1 ASN A 559 4.753 5.866 -6.201 1.00 0.00 O ATOM 423 ND2 ASN A 559 5.270 6.838 -4.243 1.00 0.00 N ATOM 0 H ASN A 559 2.892 3.411 -2.517 1.00 0.00 H new ATOM 0 HA ASN A 559 2.327 5.698 -3.896 1.00 0.00 H new ATOM 0 HB2 ASN A 559 4.580 4.680 -3.185 1.00 0.00 H new ATOM 0 HB3 ASN A 559 4.524 3.743 -4.665 1.00 0.00 H new ATOM 0 HD21 ASN A 559 5.671 7.655 -4.703 1.00 0.00 H new ATOM 0 HD22 ASN A 559 5.258 6.781 -3.225 1.00 0.00 H new ATOM 430 N GLU A 560 1.670 3.093 -5.687 1.00 0.00 N ATOM 431 CA GLU A 560 1.109 2.629 -6.950 1.00 0.00 C ATOM 432 C GLU A 560 -0.178 3.379 -7.282 1.00 0.00 C ATOM 433 O GLU A 560 -0.394 3.789 -8.423 1.00 0.00 O ATOM 434 CB GLU A 560 0.834 1.125 -6.890 1.00 0.00 C ATOM 435 CG GLU A 560 2.090 0.283 -6.735 1.00 0.00 C ATOM 436 CD GLU A 560 1.892 -1.149 -7.194 1.00 0.00 C ATOM 437 OE1 GLU A 560 1.175 -1.357 -8.195 1.00 0.00 O ATOM 438 OE2 GLU A 560 2.454 -2.061 -6.553 1.00 0.00 O ATOM 0 H GLU A 560 1.703 2.384 -4.954 1.00 0.00 H new ATOM 0 HA GLU A 560 1.838 2.827 -7.736 1.00 0.00 H new ATOM 0 HB2 GLU A 560 0.164 0.920 -6.055 1.00 0.00 H new ATOM 0 HB3 GLU A 560 0.314 0.823 -7.799 1.00 0.00 H new ATOM 0 HG2 GLU A 560 2.899 0.736 -7.308 1.00 0.00 H new ATOM 0 HG3 GLU A 560 2.399 0.286 -5.690 1.00 0.00 H new ATOM 445 N CYS A 561 -1.029 3.554 -6.277 1.00 0.00 N ATOM 446 CA CYS A 561 -2.296 4.253 -6.461 1.00 0.00 C ATOM 447 C CYS A 561 -2.068 5.747 -6.664 1.00 0.00 C ATOM 448 O CYS A 561 -2.530 6.329 -7.645 1.00 0.00 O ATOM 449 CB CYS A 561 -3.209 4.023 -5.256 1.00 0.00 C ATOM 450 SG CYS A 561 -3.538 2.281 -4.900 1.00 0.00 S ATOM 0 H CYS A 561 -0.865 3.222 -5.327 1.00 0.00 H new ATOM 0 HA CYS A 561 -2.777 3.853 -7.353 1.00 0.00 H new ATOM 0 HB2 CYS A 561 -2.756 4.483 -4.378 1.00 0.00 H new ATOM 0 HB3 CYS A 561 -4.157 4.532 -5.430 1.00 0.00 H new ATOM 0 HG CYS A 561 -3.166 2.009 -3.685 1.00 0.00 H new ATOM 456 N GLY A 562 -1.352 6.364 -5.729 1.00 0.00 N ATOM 457 CA GLY A 562 -1.076 7.786 -5.822 1.00 0.00 C ATOM 458 C GLY A 562 0.219 8.172 -5.136 1.00 0.00 C ATOM 459 O GLY A 562 1.014 7.308 -4.764 1.00 0.00 O ATOM 0 H GLY A 562 -0.958 5.904 -4.908 1.00 0.00 H new ATOM 0 HA2 GLY A 562 -1.028 8.076 -6.872 1.00 0.00 H new ATOM 0 HA3 GLY A 562 -1.900 8.343 -5.375 1.00 0.00 H new ATOM 463 N HIS A 563 0.433 9.473 -4.968 1.00 0.00 N ATOM 464 CA HIS A 563 1.642 9.971 -4.322 1.00 0.00 C ATOM 465 C HIS A 563 1.493 9.958 -2.804 1.00 0.00 C ATOM 466 O HIS A 563 0.635 10.644 -2.248 1.00 0.00 O ATOM 467 CB HIS A 563 1.955 11.389 -4.803 1.00 0.00 C ATOM 468 CG HIS A 563 3.207 11.959 -4.212 1.00 0.00 C ATOM 469 ND1 HIS A 563 3.664 11.961 -2.938 1.00 0.00 N flip ATOM 470 CD2 HIS A 563 4.156 12.625 -4.959 1.00 0.00 C flip ATOM 471 CE1 HIS A 563 4.868 12.621 -2.938 1.00 0.00 C flip ATOM 472 NE2 HIS A 563 5.143 13.011 -4.169 1.00 0.00 N flip ATOM 0 H HIS A 563 -0.215 10.201 -5.270 1.00 0.00 H new ATOM 0 HA HIS A 563 2.467 9.312 -4.594 1.00 0.00 H new ATOM 0 HB2 HIS A 563 2.045 11.384 -5.889 1.00 0.00 H new ATOM 0 HB3 HIS A 563 1.117 12.041 -4.556 1.00 0.00 H new ATOM 0 HD2 HIS A 563 4.101 12.803 -6.023 1.00 0.00 H new ATOM 0 HE1 HIS A 563 5.489 12.793 -2.072 1.00 0.00 H new ATOM 0 HE2 HIS A 563 5.975 13.523 -4.461 1.00 0.00 H new ATOM 481 N VAL A 564 2.333 9.171 -2.139 1.00 0.00 N ATOM 482 CA VAL A 564 2.294 9.068 -0.685 1.00 0.00 C ATOM 483 C VAL A 564 3.140 10.157 -0.034 1.00 0.00 C ATOM 484 O VAL A 564 4.327 10.297 -0.331 1.00 0.00 O ATOM 485 CB VAL A 564 2.793 7.692 -0.206 1.00 0.00 C ATOM 486 CG1 VAL A 564 2.959 7.680 1.306 1.00 0.00 C ATOM 487 CG2 VAL A 564 1.838 6.595 -0.654 1.00 0.00 C ATOM 0 H VAL A 564 3.048 8.596 -2.584 1.00 0.00 H new ATOM 0 HA VAL A 564 1.253 9.193 -0.387 1.00 0.00 H new ATOM 0 HB VAL A 564 3.768 7.501 -0.656 1.00 0.00 H new ATOM 0 HG11 VAL A 564 3.312 6.700 1.625 1.00 0.00 H new ATOM 0 HG12 VAL A 564 3.684 8.440 1.599 1.00 0.00 H new ATOM 0 HG13 VAL A 564 2.000 7.892 1.779 1.00 0.00 H new ATOM 0 HG21 VAL A 564 2.205 5.629 -0.307 1.00 0.00 H new ATOM 0 HG22 VAL A 564 0.849 6.779 -0.234 1.00 0.00 H new ATOM 0 HG23 VAL A 564 1.775 6.590 -1.742 1.00 0.00 H new ATOM 497 N LEU A 565 2.522 10.927 0.855 1.00 0.00 N ATOM 498 CA LEU A 565 3.218 12.005 1.549 1.00 0.00 C ATOM 499 C LEU A 565 3.807 11.512 2.867 1.00 0.00 C ATOM 500 O LEU A 565 4.929 11.867 3.228 1.00 0.00 O ATOM 501 CB LEU A 565 2.263 13.171 1.809 1.00 0.00 C ATOM 502 CG LEU A 565 1.728 13.889 0.569 1.00 0.00 C ATOM 503 CD1 LEU A 565 0.687 14.926 0.961 1.00 0.00 C ATOM 504 CD2 LEU A 565 2.867 14.539 -0.203 1.00 0.00 C ATOM 0 H LEU A 565 1.540 10.825 1.112 1.00 0.00 H new ATOM 0 HA LEU A 565 4.034 12.347 0.912 1.00 0.00 H new ATOM 0 HB2 LEU A 565 1.415 12.799 2.383 1.00 0.00 H new ATOM 0 HB3 LEU A 565 2.775 13.902 2.435 1.00 0.00 H new ATOM 0 HG LEU A 565 1.251 13.152 -0.078 1.00 0.00 H new ATOM 0 HD11 LEU A 565 0.317 15.427 0.066 1.00 0.00 H new ATOM 0 HD12 LEU A 565 -0.142 14.435 1.470 1.00 0.00 H new ATOM 0 HD13 LEU A 565 1.138 15.661 1.628 1.00 0.00 H new ATOM 0 HD21 LEU A 565 2.468 15.045 -1.082 1.00 0.00 H new ATOM 0 HD22 LEU A 565 3.372 15.264 0.435 1.00 0.00 H new ATOM 0 HD23 LEU A 565 3.578 13.774 -0.516 1.00 0.00 H new ATOM 516 N TYR A 566 3.043 10.691 3.580 1.00 0.00 N ATOM 517 CA TYR A 566 3.489 10.149 4.858 1.00 0.00 C ATOM 518 C TYR A 566 3.126 8.673 4.980 1.00 0.00 C ATOM 519 O TYR A 566 2.142 8.214 4.402 1.00 0.00 O ATOM 520 CB TYR A 566 2.869 10.936 6.014 1.00 0.00 C ATOM 521 CG TYR A 566 3.154 10.341 7.374 1.00 0.00 C ATOM 522 CD1 TYR A 566 4.418 10.435 7.944 1.00 0.00 C ATOM 523 CD2 TYR A 566 2.160 9.684 8.089 1.00 0.00 C ATOM 524 CE1 TYR A 566 4.683 9.892 9.186 1.00 0.00 C ATOM 525 CE2 TYR A 566 2.417 9.140 9.333 1.00 0.00 C ATOM 526 CZ TYR A 566 3.680 9.245 9.877 1.00 0.00 C ATOM 527 OH TYR A 566 3.940 8.704 11.115 1.00 0.00 O ATOM 0 H TYR A 566 2.112 10.387 3.294 1.00 0.00 H new ATOM 0 HA TYR A 566 4.574 10.242 4.905 1.00 0.00 H new ATOM 0 HB2 TYR A 566 3.245 11.959 5.989 1.00 0.00 H new ATOM 0 HB3 TYR A 566 1.790 10.989 5.869 1.00 0.00 H new ATOM 0 HD1 TYR A 566 5.206 10.941 7.407 1.00 0.00 H new ATOM 0 HD2 TYR A 566 1.170 9.597 7.665 1.00 0.00 H new ATOM 0 HE1 TYR A 566 5.671 9.974 9.614 1.00 0.00 H new ATOM 0 HE2 TYR A 566 1.632 8.635 9.877 1.00 0.00 H new ATOM 0 HH TYR A 566 3.127 8.285 11.466 1.00 0.00 H new ATOM 537 N ALA A 567 3.930 7.933 5.738 1.00 0.00 N ATOM 538 CA ALA A 567 3.693 6.509 5.940 1.00 0.00 C ATOM 539 C ALA A 567 4.447 5.995 7.161 1.00 0.00 C ATOM 540 O ALA A 567 5.670 6.112 7.242 1.00 0.00 O ATOM 541 CB ALA A 567 4.097 5.727 4.699 1.00 0.00 C ATOM 0 H ALA A 567 4.751 8.297 6.222 1.00 0.00 H new ATOM 0 HA ALA A 567 2.627 6.364 6.117 1.00 0.00 H new ATOM 0 HB1 ALA A 567 3.915 4.665 4.863 1.00 0.00 H new ATOM 0 HB2 ALA A 567 3.510 6.068 3.847 1.00 0.00 H new ATOM 0 HB3 ALA A 567 5.156 5.887 4.497 1.00 0.00 H new ATOM 547 N ASP A 568 3.711 5.426 8.109 1.00 0.00 N ATOM 548 CA ASP A 568 4.311 4.893 9.327 1.00 0.00 C ATOM 549 C ASP A 568 3.484 3.736 9.879 1.00 0.00 C ATOM 550 O ASP A 568 2.253 3.775 9.858 1.00 0.00 O ATOM 551 CB ASP A 568 4.439 5.994 10.381 1.00 0.00 C ATOM 552 CG ASP A 568 5.489 5.674 11.427 1.00 0.00 C ATOM 553 OD1 ASP A 568 6.692 5.780 11.110 1.00 0.00 O ATOM 554 OD2 ASP A 568 5.108 5.317 12.562 1.00 0.00 O ATOM 0 H ASP A 568 2.698 5.322 8.058 1.00 0.00 H new ATOM 0 HA ASP A 568 5.305 4.520 9.080 1.00 0.00 H new ATOM 0 HB2 ASP A 568 4.693 6.934 9.891 1.00 0.00 H new ATOM 0 HB3 ASP A 568 3.476 6.139 10.870 1.00 0.00 H new ATOM 559 N ILE A 569 4.168 2.709 10.370 1.00 0.00 N ATOM 560 CA ILE A 569 3.496 1.541 10.927 1.00 0.00 C ATOM 561 C ILE A 569 3.076 1.786 12.372 1.00 0.00 C ATOM 562 O ILE A 569 3.895 1.716 13.289 1.00 0.00 O ATOM 563 CB ILE A 569 4.397 0.293 10.871 1.00 0.00 C ATOM 564 CG1 ILE A 569 4.763 -0.033 9.421 1.00 0.00 C ATOM 565 CG2 ILE A 569 3.702 -0.891 11.526 1.00 0.00 C ATOM 566 CD1 ILE A 569 3.562 -0.262 8.531 1.00 0.00 C ATOM 0 H ILE A 569 5.187 2.661 10.394 1.00 0.00 H new ATOM 0 HA ILE A 569 2.609 1.367 10.318 1.00 0.00 H new ATOM 0 HB ILE A 569 5.315 0.500 11.421 1.00 0.00 H new ATOM 0 HG12 ILE A 569 5.357 0.784 9.012 1.00 0.00 H new ATOM 0 HG13 ILE A 569 5.392 -0.923 9.405 1.00 0.00 H new ATOM 0 HG21 ILE A 569 4.351 -1.766 11.479 1.00 0.00 H new ATOM 0 HG22 ILE A 569 3.486 -0.655 12.568 1.00 0.00 H new ATOM 0 HG23 ILE A 569 2.770 -1.102 11.001 1.00 0.00 H new ATOM 0 HD11 ILE A 569 3.897 -0.488 7.519 1.00 0.00 H new ATOM 0 HD12 ILE A 569 2.979 -1.099 8.915 1.00 0.00 H new ATOM 0 HD13 ILE A 569 2.943 0.635 8.517 1.00 0.00 H new ATOM 578 N LYS A 570 1.794 2.072 12.570 1.00 0.00 N ATOM 579 CA LYS A 570 1.262 2.325 13.904 1.00 0.00 C ATOM 580 C LYS A 570 1.604 1.179 14.851 1.00 0.00 C ATOM 581 O LYS A 570 1.004 0.107 14.785 1.00 0.00 O ATOM 582 CB LYS A 570 -0.255 2.515 13.843 1.00 0.00 C ATOM 583 CG LYS A 570 -0.678 3.937 13.520 1.00 0.00 C ATOM 584 CD LYS A 570 -0.466 4.865 14.704 1.00 0.00 C ATOM 585 CE LYS A 570 -1.233 6.167 14.537 1.00 0.00 C ATOM 586 NZ LYS A 570 -1.410 6.878 15.834 1.00 0.00 N ATOM 0 H LYS A 570 1.103 2.135 11.822 1.00 0.00 H new ATOM 0 HA LYS A 570 1.721 3.238 14.285 1.00 0.00 H new ATOM 0 HB2 LYS A 570 -0.667 1.843 13.090 1.00 0.00 H new ATOM 0 HB3 LYS A 570 -0.688 2.225 14.800 1.00 0.00 H new ATOM 0 HG2 LYS A 570 -0.109 4.301 12.665 1.00 0.00 H new ATOM 0 HG3 LYS A 570 -1.729 3.948 13.232 1.00 0.00 H new ATOM 0 HD2 LYS A 570 -0.787 4.368 15.619 1.00 0.00 H new ATOM 0 HD3 LYS A 570 0.597 5.079 14.814 1.00 0.00 H new ATOM 0 HE2 LYS A 570 -0.703 6.814 13.838 1.00 0.00 H new ATOM 0 HE3 LYS A 570 -2.210 5.959 14.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 570 -1.937 7.760 15.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 570 -1.938 6.271 16.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 570 -0.478 7.099 16.239 1.00 0.00 H new ATOM 686 N LYS A 577 1.206 -3.868 15.555 1.00 0.00 N ATOM 687 CA LYS A 577 -0.140 -4.428 15.556 1.00 0.00 C ATOM 688 C LYS A 577 -0.707 -4.484 14.141 1.00 0.00 C ATOM 689 O LYS A 577 -1.916 -4.373 13.942 1.00 0.00 O ATOM 690 CB LYS A 577 -1.059 -3.596 16.453 1.00 0.00 C ATOM 691 CG LYS A 577 -0.532 -3.418 17.866 1.00 0.00 C ATOM 692 CD LYS A 577 -0.530 -4.731 18.631 1.00 0.00 C ATOM 693 CE LYS A 577 -1.926 -5.100 19.109 1.00 0.00 C ATOM 694 NZ LYS A 577 -2.289 -4.384 20.364 1.00 0.00 N ATOM 0 HA LYS A 577 -0.084 -5.444 15.946 1.00 0.00 H new ATOM 0 HB2 LYS A 577 -1.202 -2.614 16.001 1.00 0.00 H new ATOM 0 HB3 LYS A 577 -2.038 -4.072 16.497 1.00 0.00 H new ATOM 0 HG2 LYS A 577 0.480 -3.016 17.830 1.00 0.00 H new ATOM 0 HG3 LYS A 577 -1.146 -2.689 18.395 1.00 0.00 H new ATOM 0 HD2 LYS A 577 -0.141 -5.525 17.993 1.00 0.00 H new ATOM 0 HD3 LYS A 577 0.140 -4.653 19.487 1.00 0.00 H new ATOM 0 HE2 LYS A 577 -2.651 -4.861 18.331 1.00 0.00 H new ATOM 0 HE3 LYS A 577 -1.980 -6.176 19.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 577 -3.247 -4.662 20.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 577 -1.612 -4.632 21.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 577 -2.262 -3.358 20.198 1.00 0.00 H new ATOM 708 N GLY A 578 0.175 -4.657 13.161 1.00 0.00 N ATOM 709 CA GLY A 578 -0.258 -4.726 11.778 1.00 0.00 C ATOM 710 C GLY A 578 -1.264 -3.647 11.431 1.00 0.00 C ATOM 711 O GLY A 578 -2.365 -3.942 10.962 1.00 0.00 O ATOM 0 H GLY A 578 1.181 -4.751 13.300 1.00 0.00 H new ATOM 0 HA2 GLY A 578 0.609 -4.634 11.124 1.00 0.00 H new ATOM 0 HA3 GLY A 578 -0.699 -5.704 11.587 1.00 0.00 H new ATOM 715 N CYS A 579 -0.889 -2.394 11.662 1.00 0.00 N ATOM 716 CA CYS A 579 -1.768 -1.266 11.373 1.00 0.00 C ATOM 717 C CYS A 579 -0.965 0.018 11.194 1.00 0.00 C ATOM 718 O CYS A 579 0.091 0.191 11.802 1.00 0.00 O ATOM 719 CB CYS A 579 -2.792 -1.090 12.495 1.00 0.00 C ATOM 720 SG CYS A 579 -2.082 -0.528 14.060 1.00 0.00 S ATOM 0 H CYS A 579 0.018 -2.133 12.049 1.00 0.00 H new ATOM 0 HA CYS A 579 -2.293 -1.476 10.441 1.00 0.00 H new ATOM 0 HB2 CYS A 579 -3.548 -0.374 12.173 1.00 0.00 H new ATOM 0 HB3 CYS A 579 -3.302 -2.039 12.660 1.00 0.00 H new ATOM 0 HG CYS A 579 -0.809 -0.313 13.907 1.00 0.00 H new ATOM 726 N GLY A 580 -1.472 0.916 10.355 1.00 0.00 N ATOM 727 CA GLY A 580 -0.788 2.172 10.109 1.00 0.00 C ATOM 728 C GLY A 580 -1.654 3.168 9.364 1.00 0.00 C ATOM 729 O GLY A 580 -2.855 2.954 9.195 1.00 0.00 O ATOM 0 H GLY A 580 -2.345 0.796 9.841 1.00 0.00 H new ATOM 0 HA2 GLY A 580 -0.477 2.605 11.060 1.00 0.00 H new ATOM 0 HA3 GLY A 580 0.118 1.982 9.534 1.00 0.00 H new ATOM 733 N VAL A 581 -1.045 4.261 8.916 1.00 0.00 N ATOM 734 CA VAL A 581 -1.768 5.294 8.184 1.00 0.00 C ATOM 735 C VAL A 581 -1.040 5.668 6.898 1.00 0.00 C ATOM 736 O VAL A 581 0.139 5.358 6.726 1.00 0.00 O ATOM 737 CB VAL A 581 -1.957 6.560 9.041 1.00 0.00 C ATOM 738 CG1 VAL A 581 -3.122 6.386 10.003 1.00 0.00 C ATOM 739 CG2 VAL A 581 -0.677 6.889 9.795 1.00 0.00 C ATOM 0 H VAL A 581 -0.052 4.454 9.047 1.00 0.00 H new ATOM 0 HA VAL A 581 -2.746 4.882 7.937 1.00 0.00 H new ATOM 0 HB VAL A 581 -2.186 7.395 8.378 1.00 0.00 H new ATOM 0 HG11 VAL A 581 -3.240 7.291 10.600 1.00 0.00 H new ATOM 0 HG12 VAL A 581 -4.036 6.203 9.438 1.00 0.00 H new ATOM 0 HG13 VAL A 581 -2.927 5.540 10.662 1.00 0.00 H new ATOM 0 HG21 VAL A 581 -0.829 7.786 10.395 1.00 0.00 H new ATOM 0 HG22 VAL A 581 -0.415 6.056 10.447 1.00 0.00 H new ATOM 0 HG23 VAL A 581 0.131 7.061 9.083 1.00 0.00 H new ATOM 749 N VAL A 582 -1.751 6.336 5.995 1.00 0.00 N ATOM 750 CA VAL A 582 -1.174 6.754 4.724 1.00 0.00 C ATOM 751 C VAL A 582 -1.847 8.020 4.204 1.00 0.00 C ATOM 752 O VAL A 582 -3.008 7.996 3.797 1.00 0.00 O ATOM 753 CB VAL A 582 -1.296 5.647 3.660 1.00 0.00 C ATOM 754 CG1 VAL A 582 -0.794 6.143 2.313 1.00 0.00 C ATOM 755 CG2 VAL A 582 -0.536 4.403 4.097 1.00 0.00 C ATOM 0 H VAL A 582 -2.728 6.599 6.121 1.00 0.00 H new ATOM 0 HA VAL A 582 -0.119 6.956 4.908 1.00 0.00 H new ATOM 0 HB VAL A 582 -2.348 5.384 3.553 1.00 0.00 H new ATOM 0 HG11 VAL A 582 -0.888 5.347 1.574 1.00 0.00 H new ATOM 0 HG12 VAL A 582 -1.386 7.002 1.998 1.00 0.00 H new ATOM 0 HG13 VAL A 582 0.252 6.435 2.400 1.00 0.00 H new ATOM 0 HG21 VAL A 582 -0.633 3.631 3.334 1.00 0.00 H new ATOM 0 HG22 VAL A 582 0.517 4.649 4.233 1.00 0.00 H new ATOM 0 HG23 VAL A 582 -0.947 4.037 5.038 1.00 0.00 H new ATOM 765 N LYS A 583 -1.109 9.125 4.220 1.00 0.00 N ATOM 766 CA LYS A 583 -1.632 10.401 3.749 1.00 0.00 C ATOM 767 C LYS A 583 -1.392 10.569 2.252 1.00 0.00 C ATOM 768 O LYS A 583 -0.510 9.928 1.679 1.00 0.00 O ATOM 769 CB LYS A 583 -0.981 11.556 4.513 1.00 0.00 C ATOM 770 CG LYS A 583 -1.670 11.882 5.827 1.00 0.00 C ATOM 771 CD LYS A 583 -1.037 11.134 6.988 1.00 0.00 C ATOM 772 CE LYS A 583 -1.707 9.788 7.216 1.00 0.00 C ATOM 773 NZ LYS A 583 -2.818 9.881 8.203 1.00 0.00 N ATOM 0 H LYS A 583 -0.146 9.162 4.554 1.00 0.00 H new ATOM 0 HA LYS A 583 -2.707 10.413 3.930 1.00 0.00 H new ATOM 0 HB2 LYS A 583 0.062 11.307 4.711 1.00 0.00 H new ATOM 0 HB3 LYS A 583 -0.982 12.445 3.882 1.00 0.00 H new ATOM 0 HG2 LYS A 583 -1.616 12.955 6.011 1.00 0.00 H new ATOM 0 HG3 LYS A 583 -2.727 11.623 5.759 1.00 0.00 H new ATOM 0 HD2 LYS A 583 0.024 10.984 6.790 1.00 0.00 H new ATOM 0 HD3 LYS A 583 -1.111 11.736 7.894 1.00 0.00 H new ATOM 0 HE2 LYS A 583 -2.093 9.410 6.269 1.00 0.00 H new ATOM 0 HE3 LYS A 583 -0.967 9.069 7.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 583 -3.481 9.094 8.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 583 -2.431 9.831 9.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 583 -3.319 10.784 8.078 1.00 0.00 H new ATOM 787 N PHE A 584 -2.179 11.435 1.624 1.00 0.00 N ATOM 788 CA PHE A 584 -2.051 11.687 0.193 1.00 0.00 C ATOM 789 C PHE A 584 -2.109 13.183 -0.103 1.00 0.00 C ATOM 790 O PHE A 584 -2.440 13.986 0.768 1.00 0.00 O ATOM 791 CB PHE A 584 -3.157 10.961 -0.575 1.00 0.00 C ATOM 792 CG PHE A 584 -2.970 9.471 -0.631 1.00 0.00 C ATOM 793 CD1 PHE A 584 -2.115 8.901 -1.561 1.00 0.00 C ATOM 794 CD2 PHE A 584 -3.648 8.641 0.247 1.00 0.00 C ATOM 795 CE1 PHE A 584 -1.940 7.531 -1.614 1.00 0.00 C ATOM 796 CE2 PHE A 584 -3.477 7.271 0.199 1.00 0.00 C ATOM 797 CZ PHE A 584 -2.623 6.715 -0.734 1.00 0.00 C ATOM 0 H PHE A 584 -2.913 11.975 2.083 1.00 0.00 H new ATOM 0 HA PHE A 584 -1.083 11.307 -0.132 1.00 0.00 H new ATOM 0 HB2 PHE A 584 -4.117 11.181 -0.108 1.00 0.00 H new ATOM 0 HB3 PHE A 584 -3.199 11.352 -1.591 1.00 0.00 H new ATOM 0 HD1 PHE A 584 -1.579 9.535 -2.252 1.00 0.00 H new ATOM 0 HD2 PHE A 584 -4.318 9.070 0.977 1.00 0.00 H new ATOM 0 HE1 PHE A 584 -1.270 7.099 -2.343 1.00 0.00 H new ATOM 0 HE2 PHE A 584 -4.010 6.635 0.890 1.00 0.00 H new ATOM 0 HZ PHE A 584 -2.490 5.644 -0.775 1.00 0.00 H new ATOM 807 N GLU A 585 -1.784 13.548 -1.339 1.00 0.00 N ATOM 808 CA GLU A 585 -1.797 14.948 -1.750 1.00 0.00 C ATOM 809 C GLU A 585 -3.228 15.467 -1.864 1.00 0.00 C ATOM 810 O GLU A 585 -3.551 16.543 -1.360 1.00 0.00 O ATOM 811 CB GLU A 585 -1.074 15.117 -3.087 1.00 0.00 C ATOM 812 CG GLU A 585 0.435 14.965 -2.986 1.00 0.00 C ATOM 813 CD GLU A 585 1.159 15.518 -4.198 1.00 0.00 C ATOM 814 OE1 GLU A 585 1.210 16.758 -4.344 1.00 0.00 O ATOM 815 OE2 GLU A 585 1.675 14.713 -5.001 1.00 0.00 O ATOM 0 H GLU A 585 -1.509 12.895 -2.073 1.00 0.00 H new ATOM 0 HA GLU A 585 -1.277 15.529 -0.988 1.00 0.00 H new ATOM 0 HB2 GLU A 585 -1.458 14.382 -3.794 1.00 0.00 H new ATOM 0 HB3 GLU A 585 -1.305 16.101 -3.494 1.00 0.00 H new ATOM 0 HG2 GLU A 585 0.789 15.477 -2.091 1.00 0.00 H new ATOM 0 HG3 GLU A 585 0.683 13.910 -2.869 1.00 0.00 H new ATOM 822 N SER A 586 -4.080 14.695 -2.531 1.00 0.00 N ATOM 823 CA SER A 586 -5.475 15.079 -2.715 1.00 0.00 C ATOM 824 C SER A 586 -6.403 14.135 -1.957 1.00 0.00 C ATOM 825 O SER A 586 -6.054 12.996 -1.648 1.00 0.00 O ATOM 826 CB SER A 586 -5.833 15.078 -4.203 1.00 0.00 C ATOM 827 OG SER A 586 -5.585 16.345 -4.788 1.00 0.00 O ATOM 0 H SER A 586 -3.829 13.801 -2.953 1.00 0.00 H new ATOM 0 HA SER A 586 -5.605 16.085 -2.317 1.00 0.00 H new ATOM 0 HB2 SER A 586 -5.251 14.315 -4.720 1.00 0.00 H new ATOM 0 HB3 SER A 586 -6.884 14.816 -4.327 1.00 0.00 H new ATOM 0 HG SER A 586 -5.820 16.318 -5.739 1.00 0.00 H new ATOM 833 N PRO A 587 -7.615 14.620 -1.648 1.00 0.00 N ATOM 834 CA PRO A 587 -8.619 13.837 -0.922 1.00 0.00 C ATOM 835 C PRO A 587 -9.182 12.695 -1.761 1.00 0.00 C ATOM 836 O PRO A 587 -9.527 11.638 -1.234 1.00 0.00 O ATOM 837 CB PRO A 587 -9.713 14.863 -0.613 1.00 0.00 C ATOM 838 CG PRO A 587 -9.567 15.902 -1.670 1.00 0.00 C ATOM 839 CD PRO A 587 -8.098 15.970 -1.985 1.00 0.00 C ATOM 0 HA PRO A 587 -8.201 13.359 -0.036 1.00 0.00 H new ATOM 0 HB2 PRO A 587 -10.703 14.407 -0.640 1.00 0.00 H new ATOM 0 HB3 PRO A 587 -9.586 15.290 0.382 1.00 0.00 H new ATOM 0 HG2 PRO A 587 -10.144 15.640 -2.557 1.00 0.00 H new ATOM 0 HG3 PRO A 587 -9.936 16.867 -1.322 1.00 0.00 H new ATOM 0 HD2 PRO A 587 -7.922 16.210 -3.034 1.00 0.00 H new ATOM 0 HD3 PRO A 587 -7.595 16.736 -1.395 1.00 0.00 H new ATOM 847 N GLU A 588 -9.270 12.916 -3.069 1.00 0.00 N ATOM 848 CA GLU A 588 -9.792 11.904 -3.980 1.00 0.00 C ATOM 849 C GLU A 588 -8.865 10.693 -4.037 1.00 0.00 C ATOM 850 O GLU A 588 -9.319 9.553 -4.132 1.00 0.00 O ATOM 851 CB GLU A 588 -9.969 12.490 -5.382 1.00 0.00 C ATOM 852 CG GLU A 588 -8.681 13.028 -5.984 1.00 0.00 C ATOM 853 CD GLU A 588 -8.848 13.459 -7.428 1.00 0.00 C ATOM 854 OE1 GLU A 588 -9.600 14.424 -7.677 1.00 0.00 O ATOM 855 OE2 GLU A 588 -8.225 12.831 -8.310 1.00 0.00 O ATOM 0 H GLU A 588 -8.987 13.786 -3.521 1.00 0.00 H new ATOM 0 HA GLU A 588 -10.763 11.580 -3.604 1.00 0.00 H new ATOM 0 HB2 GLU A 588 -10.374 11.721 -6.040 1.00 0.00 H new ATOM 0 HB3 GLU A 588 -10.704 13.294 -5.341 1.00 0.00 H new ATOM 0 HG2 GLU A 588 -8.335 13.876 -5.393 1.00 0.00 H new ATOM 0 HG3 GLU A 588 -7.908 12.261 -5.925 1.00 0.00 H new ATOM 862 N VAL A 589 -7.562 10.949 -3.977 1.00 0.00 N ATOM 863 CA VAL A 589 -6.569 9.882 -4.021 1.00 0.00 C ATOM 864 C VAL A 589 -6.645 9.010 -2.773 1.00 0.00 C ATOM 865 O VAL A 589 -6.411 7.803 -2.831 1.00 0.00 O ATOM 866 CB VAL A 589 -5.143 10.447 -4.152 1.00 0.00 C ATOM 867 CG1 VAL A 589 -4.132 9.319 -4.295 1.00 0.00 C ATOM 868 CG2 VAL A 589 -5.056 11.403 -5.332 1.00 0.00 C ATOM 0 H VAL A 589 -7.169 11.887 -3.898 1.00 0.00 H new ATOM 0 HA VAL A 589 -6.794 9.277 -4.899 1.00 0.00 H new ATOM 0 HB VAL A 589 -4.906 11.002 -3.244 1.00 0.00 H new ATOM 0 HG11 VAL A 589 -3.130 9.738 -4.386 1.00 0.00 H new ATOM 0 HG12 VAL A 589 -4.178 8.676 -3.416 1.00 0.00 H new ATOM 0 HG13 VAL A 589 -4.363 8.734 -5.185 1.00 0.00 H new ATOM 0 HG21 VAL A 589 -4.041 11.793 -5.410 1.00 0.00 H new ATOM 0 HG22 VAL A 589 -5.313 10.873 -6.249 1.00 0.00 H new ATOM 0 HG23 VAL A 589 -5.752 12.229 -5.183 1.00 0.00 H new ATOM 878 N ALA A 590 -6.976 9.629 -1.644 1.00 0.00 N ATOM 879 CA ALA A 590 -7.085 8.908 -0.382 1.00 0.00 C ATOM 880 C ALA A 590 -8.158 7.827 -0.458 1.00 0.00 C ATOM 881 O ALA A 590 -7.872 6.643 -0.290 1.00 0.00 O ATOM 882 CB ALA A 590 -7.387 9.875 0.754 1.00 0.00 C ATOM 0 H ALA A 590 -7.173 10.628 -1.578 1.00 0.00 H new ATOM 0 HA ALA A 590 -6.129 8.422 -0.186 1.00 0.00 H new ATOM 0 HB1 ALA A 590 -7.466 9.323 1.691 1.00 0.00 H new ATOM 0 HB2 ALA A 590 -6.584 10.608 0.831 1.00 0.00 H new ATOM 0 HB3 ALA A 590 -8.328 10.388 0.555 1.00 0.00 H new ATOM 888 N GLU A 591 -9.395 8.245 -0.712 1.00 0.00 N ATOM 889 CA GLU A 591 -10.511 7.311 -0.808 1.00 0.00 C ATOM 890 C GLU A 591 -10.304 6.333 -1.961 1.00 0.00 C ATOM 891 O GLU A 591 -10.848 5.229 -1.958 1.00 0.00 O ATOM 892 CB GLU A 591 -11.825 8.070 -0.998 1.00 0.00 C ATOM 893 CG GLU A 591 -12.183 8.312 -2.455 1.00 0.00 C ATOM 894 CD GLU A 591 -13.164 9.455 -2.633 1.00 0.00 C ATOM 895 OE1 GLU A 591 -14.009 9.657 -1.737 1.00 0.00 O ATOM 896 OE2 GLU A 591 -13.085 10.148 -3.669 1.00 0.00 O ATOM 0 H GLU A 591 -9.649 9.223 -0.855 1.00 0.00 H new ATOM 0 HA GLU A 591 -10.559 6.744 0.122 1.00 0.00 H new ATOM 0 HB2 GLU A 591 -12.630 7.510 -0.523 1.00 0.00 H new ATOM 0 HB3 GLU A 591 -11.758 9.029 -0.485 1.00 0.00 H new ATOM 0 HG2 GLU A 591 -11.274 8.527 -3.018 1.00 0.00 H new ATOM 0 HG3 GLU A 591 -12.611 7.402 -2.876 1.00 0.00 H new ATOM 903 N ARG A 592 -9.514 6.748 -2.946 1.00 0.00 N ATOM 904 CA ARG A 592 -9.236 5.911 -4.107 1.00 0.00 C ATOM 905 C ARG A 592 -8.438 4.673 -3.706 1.00 0.00 C ATOM 906 O ARG A 592 -8.708 3.569 -4.178 1.00 0.00 O ATOM 907 CB ARG A 592 -8.468 6.706 -5.164 1.00 0.00 C ATOM 908 CG ARG A 592 -8.166 5.911 -6.424 1.00 0.00 C ATOM 909 CD ARG A 592 -6.901 6.408 -7.106 1.00 0.00 C ATOM 910 NE ARG A 592 -6.947 6.214 -8.553 1.00 0.00 N ATOM 911 CZ ARG A 592 -7.735 6.912 -9.363 1.00 0.00 C ATOM 912 NH1 ARG A 592 -8.538 7.845 -8.871 1.00 0.00 N ATOM 913 NH2 ARG A 592 -7.720 6.677 -10.669 1.00 0.00 N ATOM 0 H ARG A 592 -9.055 7.659 -2.963 1.00 0.00 H new ATOM 0 HA ARG A 592 -10.189 5.588 -4.527 1.00 0.00 H new ATOM 0 HB2 ARG A 592 -9.046 7.590 -5.432 1.00 0.00 H new ATOM 0 HB3 ARG A 592 -7.531 7.057 -4.732 1.00 0.00 H new ATOM 0 HG2 ARG A 592 -8.055 4.856 -6.172 1.00 0.00 H new ATOM 0 HG3 ARG A 592 -9.007 5.987 -7.114 1.00 0.00 H new ATOM 0 HD2 ARG A 592 -6.763 7.467 -6.886 1.00 0.00 H new ATOM 0 HD3 ARG A 592 -6.038 5.882 -6.697 1.00 0.00 H new ATOM 0 HE ARG A 592 -6.341 5.504 -8.964 1.00 0.00 H new ATOM 0 HH11 ARG A 592 -8.552 8.029 -7.868 1.00 0.00 H new ATOM 0 HH12 ARG A 592 -9.142 8.379 -9.496 1.00 0.00 H new ATOM 0 HH21 ARG A 592 -7.103 5.960 -11.051 1.00 0.00 H new ATOM 0 HH22 ARG A 592 -8.325 7.213 -11.291 1.00 0.00 H new ATOM 927 N ALA A 593 -7.455 4.867 -2.834 1.00 0.00 N ATOM 928 CA ALA A 593 -6.619 3.767 -2.368 1.00 0.00 C ATOM 929 C ALA A 593 -7.402 2.830 -1.456 1.00 0.00 C ATOM 930 O ALA A 593 -7.077 1.647 -1.338 1.00 0.00 O ATOM 931 CB ALA A 593 -5.392 4.305 -1.647 1.00 0.00 C ATOM 0 H ALA A 593 -7.218 5.775 -2.436 1.00 0.00 H new ATOM 0 HA ALA A 593 -6.294 3.197 -3.238 1.00 0.00 H new ATOM 0 HB1 ALA A 593 -4.777 3.473 -1.305 1.00 0.00 H new ATOM 0 HB2 ALA A 593 -4.813 4.927 -2.329 1.00 0.00 H new ATOM 0 HB3 ALA A 593 -5.706 4.901 -0.790 1.00 0.00 H new ATOM 937 N CYS A 594 -8.435 3.364 -0.813 1.00 0.00 N ATOM 938 CA CYS A 594 -9.264 2.574 0.091 1.00 0.00 C ATOM 939 C CYS A 594 -10.094 1.556 -0.684 1.00 0.00 C ATOM 940 O CYS A 594 -10.543 0.554 -0.126 1.00 0.00 O ATOM 941 CB CYS A 594 -10.183 3.488 0.902 1.00 0.00 C ATOM 942 SG CYS A 594 -9.320 4.520 2.110 1.00 0.00 S ATOM 0 H CYS A 594 -8.718 4.340 -0.901 1.00 0.00 H new ATOM 0 HA CYS A 594 -8.605 2.036 0.773 1.00 0.00 H new ATOM 0 HB2 CYS A 594 -10.733 4.133 0.217 1.00 0.00 H new ATOM 0 HB3 CYS A 594 -10.919 2.875 1.423 1.00 0.00 H new ATOM 0 HG CYS A 594 -8.655 5.449 1.490 1.00 0.00 H new ATOM 948 N ARG A 595 -10.295 1.819 -1.971 1.00 0.00 N ATOM 949 CA ARG A 595 -11.073 0.927 -2.821 1.00 0.00 C ATOM 950 C ARG A 595 -10.168 -0.074 -3.533 1.00 0.00 C ATOM 951 O ARG A 595 -10.519 -1.243 -3.688 1.00 0.00 O ATOM 952 CB ARG A 595 -11.868 1.733 -3.850 1.00 0.00 C ATOM 953 CG ARG A 595 -12.957 2.599 -3.237 1.00 0.00 C ATOM 954 CD ARG A 595 -13.421 3.677 -4.203 1.00 0.00 C ATOM 955 NE ARG A 595 -14.229 3.129 -5.288 1.00 0.00 N ATOM 956 CZ ARG A 595 -14.943 3.876 -6.123 1.00 0.00 C ATOM 957 NH1 ARG A 595 -14.949 5.195 -5.997 1.00 0.00 N ATOM 958 NH2 ARG A 595 -15.653 3.302 -7.087 1.00 0.00 N ATOM 0 H ARG A 595 -9.929 2.643 -2.448 1.00 0.00 H new ATOM 0 HA ARG A 595 -11.767 0.376 -2.186 1.00 0.00 H new ATOM 0 HB2 ARG A 595 -11.182 2.369 -4.409 1.00 0.00 H new ATOM 0 HB3 ARG A 595 -12.321 1.046 -4.565 1.00 0.00 H new ATOM 0 HG2 ARG A 595 -13.804 1.974 -2.953 1.00 0.00 H new ATOM 0 HG3 ARG A 595 -12.584 3.063 -2.324 1.00 0.00 H new ATOM 0 HD2 ARG A 595 -14.001 4.424 -3.661 1.00 0.00 H new ATOM 0 HD3 ARG A 595 -12.553 4.188 -4.620 1.00 0.00 H new ATOM 0 HE ARG A 595 -14.246 2.117 -5.412 1.00 0.00 H new ATOM 0 HH11 ARG A 595 -14.405 5.639 -5.258 1.00 0.00 H new ATOM 0 HH12 ARG A 595 -15.498 5.766 -6.639 1.00 0.00 H new ATOM 0 HH21 ARG A 595 -15.651 2.287 -7.187 1.00 0.00 H new ATOM 0 HH22 ARG A 595 -16.201 3.876 -7.728 1.00 0.00 H new ATOM 972 N MET A 596 -9.000 0.394 -3.963 1.00 0.00 N ATOM 973 CA MET A 596 -8.044 -0.460 -4.657 1.00 0.00 C ATOM 974 C MET A 596 -7.302 -1.358 -3.672 1.00 0.00 C ATOM 975 O MET A 596 -7.236 -2.573 -3.855 1.00 0.00 O ATOM 976 CB MET A 596 -7.044 0.391 -5.443 1.00 0.00 C ATOM 977 CG MET A 596 -7.699 1.325 -6.448 1.00 0.00 C ATOM 978 SD MET A 596 -6.654 1.647 -7.881 1.00 0.00 S ATOM 979 CE MET A 596 -5.809 3.137 -7.357 1.00 0.00 C ATOM 0 H MET A 596 -8.694 1.359 -3.843 1.00 0.00 H new ATOM 0 HA MET A 596 -8.597 -1.092 -5.352 1.00 0.00 H new ATOM 0 HB2 MET A 596 -6.452 0.981 -4.743 1.00 0.00 H new ATOM 0 HB3 MET A 596 -6.353 -0.268 -5.968 1.00 0.00 H new ATOM 0 HG2 MET A 596 -8.642 0.891 -6.781 1.00 0.00 H new ATOM 0 HG3 MET A 596 -7.938 2.269 -5.958 1.00 0.00 H new ATOM 0 HE1 MET A 596 -6.138 3.976 -7.970 1.00 0.00 H new ATOM 0 HE2 MET A 596 -6.041 3.338 -6.311 1.00 0.00 H new ATOM 0 HE3 MET A 596 -4.733 3.004 -7.470 1.00 0.00 H new ATOM 989 N MET A 597 -6.745 -0.751 -2.629 1.00 0.00 N ATOM 990 CA MET A 597 -6.008 -1.497 -1.616 1.00 0.00 C ATOM 991 C MET A 597 -6.934 -2.441 -0.855 1.00 0.00 C ATOM 992 O MET A 597 -6.770 -3.659 -0.905 1.00 0.00 O ATOM 993 CB MET A 597 -5.326 -0.536 -0.640 1.00 0.00 C ATOM 994 CG MET A 597 -4.377 0.442 -1.313 1.00 0.00 C ATOM 995 SD MET A 597 -3.440 -0.313 -2.655 1.00 0.00 S ATOM 996 CE MET A 597 -2.002 -0.911 -1.770 1.00 0.00 C ATOM 0 H MET A 597 -6.790 0.254 -2.463 1.00 0.00 H new ATOM 0 HA MET A 597 -5.247 -2.092 -2.121 1.00 0.00 H new ATOM 0 HB2 MET A 597 -6.090 0.024 -0.101 1.00 0.00 H new ATOM 0 HB3 MET A 597 -4.773 -1.115 0.100 1.00 0.00 H new ATOM 0 HG2 MET A 597 -4.947 1.286 -1.702 1.00 0.00 H new ATOM 0 HG3 MET A 597 -3.685 0.840 -0.571 1.00 0.00 H new ATOM 0 HE1 MET A 597 -1.121 -0.355 -2.090 1.00 0.00 H new ATOM 0 HE2 MET A 597 -2.150 -0.772 -0.699 1.00 0.00 H new ATOM 0 HE3 MET A 597 -1.859 -1.971 -1.982 1.00 0.00 H new ATOM 1006 N ASN A 598 -7.906 -1.869 -0.151 1.00 0.00 N ATOM 1007 CA ASN A 598 -8.857 -2.661 0.620 1.00 0.00 C ATOM 1008 C ASN A 598 -9.261 -3.920 -0.141 1.00 0.00 C ATOM 1009 O ASN A 598 -9.780 -3.845 -1.254 1.00 0.00 O ATOM 1010 CB ASN A 598 -10.098 -1.828 0.947 1.00 0.00 C ATOM 1011 CG ASN A 598 -11.003 -2.510 1.955 1.00 0.00 C ATOM 1012 OD1 ASN A 598 -10.951 -3.727 2.129 1.00 0.00 O ATOM 1013 ND2 ASN A 598 -11.840 -1.725 2.625 1.00 0.00 N ATOM 0 H ASN A 598 -8.055 -0.861 -0.099 1.00 0.00 H new ATOM 0 HA ASN A 598 -8.373 -2.961 1.550 1.00 0.00 H new ATOM 0 HB2 ASN A 598 -9.789 -0.859 1.338 1.00 0.00 H new ATOM 0 HB3 ASN A 598 -10.657 -1.639 0.031 1.00 0.00 H new ATOM 0 HD21 ASN A 598 -12.474 -2.127 3.316 1.00 0.00 H new ATOM 0 HD22 ASN A 598 -11.849 -0.720 2.448 1.00 0.00 H new ATOM 1020 N GLY A 599 -9.020 -5.076 0.469 1.00 0.00 N ATOM 1021 CA GLY A 599 -9.365 -6.335 -0.165 1.00 0.00 C ATOM 1022 C GLY A 599 -8.157 -7.042 -0.748 1.00 0.00 C ATOM 1023 O GLY A 599 -8.294 -8.046 -1.445 1.00 0.00 O ATOM 0 H GLY A 599 -8.592 -5.163 1.391 1.00 0.00 H new ATOM 0 HA2 GLY A 599 -9.846 -6.986 0.565 1.00 0.00 H new ATOM 0 HA3 GLY A 599 -10.092 -6.152 -0.956 1.00 0.00 H new ATOM 1027 N MET A 600 -6.971 -6.514 -0.463 1.00 0.00 N ATOM 1028 CA MET A 600 -5.734 -7.101 -0.964 1.00 0.00 C ATOM 1029 C MET A 600 -5.060 -7.949 0.110 1.00 0.00 C ATOM 1030 O MET A 600 -4.503 -7.422 1.073 1.00 0.00 O ATOM 1031 CB MET A 600 -4.779 -6.004 -1.438 1.00 0.00 C ATOM 1032 CG MET A 600 -4.220 -5.155 -0.307 1.00 0.00 C ATOM 1033 SD MET A 600 -3.534 -3.591 -0.886 1.00 0.00 S ATOM 1034 CE MET A 600 -2.468 -3.160 0.486 1.00 0.00 C ATOM 0 H MET A 600 -6.841 -5.681 0.112 1.00 0.00 H new ATOM 0 HA MET A 600 -5.983 -7.745 -1.807 1.00 0.00 H new ATOM 0 HB2 MET A 600 -3.952 -6.463 -1.980 1.00 0.00 H new ATOM 0 HB3 MET A 600 -5.302 -5.357 -2.142 1.00 0.00 H new ATOM 0 HG2 MET A 600 -5.010 -4.955 0.417 1.00 0.00 H new ATOM 0 HG3 MET A 600 -3.445 -5.716 0.215 1.00 0.00 H new ATOM 0 HE1 MET A 600 -2.894 -2.315 1.026 1.00 0.00 H new ATOM 0 HE2 MET A 600 -2.378 -4.013 1.159 1.00 0.00 H new ATOM 0 HE3 MET A 600 -1.482 -2.889 0.109 1.00 0.00 H new ATOM 1044 N LYS A 601 -5.115 -9.266 -0.061 1.00 0.00 N ATOM 1045 CA LYS A 601 -4.509 -10.187 0.892 1.00 0.00 C ATOM 1046 C LYS A 601 -2.987 -10.148 0.796 1.00 0.00 C ATOM 1047 O LYS A 601 -2.400 -10.689 -0.142 1.00 0.00 O ATOM 1048 CB LYS A 601 -5.010 -11.612 0.644 1.00 0.00 C ATOM 1049 CG LYS A 601 -6.484 -11.802 0.958 1.00 0.00 C ATOM 1050 CD LYS A 601 -6.810 -13.257 1.249 1.00 0.00 C ATOM 1051 CE LYS A 601 -8.186 -13.405 1.879 1.00 0.00 C ATOM 1052 NZ LYS A 601 -9.251 -13.577 0.853 1.00 0.00 N ATOM 0 H LYS A 601 -5.574 -9.719 -0.852 1.00 0.00 H new ATOM 0 HA LYS A 601 -4.800 -9.875 1.895 1.00 0.00 H new ATOM 0 HB2 LYS A 601 -4.833 -11.874 -0.399 1.00 0.00 H new ATOM 0 HB3 LYS A 601 -4.426 -12.304 1.250 1.00 0.00 H new ATOM 0 HG2 LYS A 601 -6.756 -11.189 1.817 1.00 0.00 H new ATOM 0 HG3 LYS A 601 -7.084 -11.455 0.116 1.00 0.00 H new ATOM 0 HD2 LYS A 601 -6.769 -13.832 0.324 1.00 0.00 H new ATOM 0 HD3 LYS A 601 -6.056 -13.673 1.917 1.00 0.00 H new ATOM 0 HE2 LYS A 601 -8.187 -14.263 2.551 1.00 0.00 H new ATOM 0 HE3 LYS A 601 -8.404 -12.526 2.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 601 -10.174 -13.674 1.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 601 -9.267 -12.747 0.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 601 -9.057 -14.430 0.291 1.00 0.00 H new ATOM 1066 N LEU A 602 -2.354 -9.506 1.771 1.00 0.00 N ATOM 1067 CA LEU A 602 -0.899 -9.398 1.797 1.00 0.00 C ATOM 1068 C LEU A 602 -0.264 -10.704 2.264 1.00 0.00 C ATOM 1069 O LEU A 602 -0.169 -10.965 3.464 1.00 0.00 O ATOM 1070 CB LEU A 602 -0.469 -8.252 2.714 1.00 0.00 C ATOM 1071 CG LEU A 602 -1.063 -6.879 2.395 1.00 0.00 C ATOM 1072 CD1 LEU A 602 -0.299 -5.785 3.125 1.00 0.00 C ATOM 1073 CD2 LEU A 602 -1.053 -6.629 0.894 1.00 0.00 C ATOM 0 H LEU A 602 -2.825 -9.052 2.554 1.00 0.00 H new ATOM 0 HA LEU A 602 -0.557 -9.191 0.783 1.00 0.00 H new ATOM 0 HB2 LEU A 602 -0.737 -8.513 3.738 1.00 0.00 H new ATOM 0 HB3 LEU A 602 0.618 -8.173 2.679 1.00 0.00 H new ATOM 0 HG LEU A 602 -2.097 -6.863 2.738 1.00 0.00 H new ATOM 0 HD11 LEU A 602 -0.735 -4.815 2.886 1.00 0.00 H new ATOM 0 HD12 LEU A 602 -0.358 -5.955 4.200 1.00 0.00 H new ATOM 0 HD13 LEU A 602 0.745 -5.800 2.813 1.00 0.00 H new ATOM 0 HD21 LEU A 602 -1.479 -5.648 0.686 1.00 0.00 H new ATOM 0 HD22 LEU A 602 -0.028 -6.665 0.526 1.00 0.00 H new ATOM 0 HD23 LEU A 602 -1.645 -7.395 0.394 1.00 0.00 H new ATOM 1085 N SER A 603 0.172 -11.519 1.309 1.00 0.00 N ATOM 1086 CA SER A 603 0.797 -12.799 1.623 1.00 0.00 C ATOM 1087 C SER A 603 -0.204 -13.746 2.280 1.00 0.00 C ATOM 1088 O SER A 603 0.175 -14.639 3.036 1.00 0.00 O ATOM 1089 CB SER A 603 2.000 -12.590 2.545 1.00 0.00 C ATOM 1090 OG SER A 603 2.940 -13.641 2.402 1.00 0.00 O ATOM 0 H SER A 603 0.104 -11.316 0.312 1.00 0.00 H new ATOM 0 HA SER A 603 1.137 -13.248 0.690 1.00 0.00 H new ATOM 0 HB2 SER A 603 2.477 -11.637 2.315 1.00 0.00 H new ATOM 0 HB3 SER A 603 1.664 -12.537 3.580 1.00 0.00 H new ATOM 0 HG SER A 603 2.486 -14.503 2.511 1.00 0.00 H new ATOM 1096 N GLY A 604 -1.484 -13.542 1.984 1.00 0.00 N ATOM 1097 CA GLY A 604 -2.520 -14.384 2.553 1.00 0.00 C ATOM 1098 C GLY A 604 -3.186 -13.749 3.758 1.00 0.00 C ATOM 1099 O GLY A 604 -3.801 -14.440 4.571 1.00 0.00 O ATOM 0 H GLY A 604 -1.822 -12.809 1.360 1.00 0.00 H new ATOM 0 HA2 GLY A 604 -3.273 -14.592 1.793 1.00 0.00 H new ATOM 0 HA3 GLY A 604 -2.087 -15.341 2.843 1.00 0.00 H new ATOM 1103 N ARG A 605 -3.062 -12.431 3.875 1.00 0.00 N ATOM 1104 CA ARG A 605 -3.654 -11.704 4.991 1.00 0.00 C ATOM 1105 C ARG A 605 -4.562 -10.585 4.490 1.00 0.00 C ATOM 1106 O ARG A 605 -4.090 -9.589 3.942 1.00 0.00 O ATOM 1107 CB ARG A 605 -2.559 -11.125 5.889 1.00 0.00 C ATOM 1108 CG ARG A 605 -1.651 -12.179 6.500 1.00 0.00 C ATOM 1109 CD ARG A 605 -1.076 -11.716 7.830 1.00 0.00 C ATOM 1110 NE ARG A 605 -0.253 -12.746 8.458 1.00 0.00 N ATOM 1111 CZ ARG A 605 0.085 -12.734 9.743 1.00 0.00 C ATOM 1112 NH1 ARG A 605 -0.328 -11.752 10.531 1.00 0.00 N ATOM 1113 NH2 ARG A 605 0.837 -13.707 10.241 1.00 0.00 N ATOM 0 H ARG A 605 -2.557 -11.845 3.210 1.00 0.00 H new ATOM 0 HA ARG A 605 -4.256 -12.404 5.570 1.00 0.00 H new ATOM 0 HB2 ARG A 605 -1.954 -10.430 5.307 1.00 0.00 H new ATOM 0 HB3 ARG A 605 -3.024 -10.550 6.690 1.00 0.00 H new ATOM 0 HG2 ARG A 605 -2.211 -13.103 6.646 1.00 0.00 H new ATOM 0 HG3 ARG A 605 -0.838 -12.405 5.810 1.00 0.00 H new ATOM 0 HD2 ARG A 605 -0.477 -10.819 7.673 1.00 0.00 H new ATOM 0 HD3 ARG A 605 -1.890 -11.443 8.502 1.00 0.00 H new ATOM 0 HE ARG A 605 0.080 -13.516 7.879 1.00 0.00 H new ATOM 0 HH11 ARG A 605 -0.907 -11.003 10.152 1.00 0.00 H new ATOM 0 HH12 ARG A 605 -0.067 -11.745 11.517 1.00 0.00 H new ATOM 0 HH21 ARG A 605 1.156 -14.465 9.637 1.00 0.00 H new ATOM 0 HH22 ARG A 605 1.096 -13.697 11.227 1.00 0.00 H new ATOM 1127 N GLU A 606 -5.866 -10.756 4.683 1.00 0.00 N ATOM 1128 CA GLU A 606 -6.839 -9.760 4.249 1.00 0.00 C ATOM 1129 C GLU A 606 -6.743 -8.498 5.102 1.00 0.00 C ATOM 1130 O GLU A 606 -6.576 -8.571 6.320 1.00 0.00 O ATOM 1131 CB GLU A 606 -8.256 -10.333 4.323 1.00 0.00 C ATOM 1132 CG GLU A 606 -9.184 -9.802 3.243 1.00 0.00 C ATOM 1133 CD GLU A 606 -10.631 -9.750 3.692 1.00 0.00 C ATOM 1134 OE1 GLU A 606 -10.880 -9.336 4.844 1.00 0.00 O ATOM 1135 OE2 GLU A 606 -11.515 -10.124 2.893 1.00 0.00 O ATOM 0 H GLU A 606 -6.273 -11.574 5.137 1.00 0.00 H new ATOM 0 HA GLU A 606 -6.615 -9.497 3.215 1.00 0.00 H new ATOM 0 HB2 GLU A 606 -8.204 -11.419 4.244 1.00 0.00 H new ATOM 0 HB3 GLU A 606 -8.681 -10.104 5.300 1.00 0.00 H new ATOM 0 HG2 GLU A 606 -8.862 -8.802 2.951 1.00 0.00 H new ATOM 0 HG3 GLU A 606 -9.104 -10.433 2.358 1.00 0.00 H new ATOM 1142 N ILE A 607 -6.850 -7.344 4.454 1.00 0.00 N ATOM 1143 CA ILE A 607 -6.776 -6.066 5.152 1.00 0.00 C ATOM 1144 C ILE A 607 -7.935 -5.157 4.759 1.00 0.00 C ATOM 1145 O ILE A 607 -8.488 -5.276 3.665 1.00 0.00 O ATOM 1146 CB ILE A 607 -5.448 -5.342 4.862 1.00 0.00 C ATOM 1147 CG1 ILE A 607 -5.195 -5.280 3.354 1.00 0.00 C ATOM 1148 CG2 ILE A 607 -4.297 -6.040 5.570 1.00 0.00 C ATOM 1149 CD1 ILE A 607 -3.963 -4.487 2.980 1.00 0.00 C ATOM 0 H ILE A 607 -6.988 -7.267 3.446 1.00 0.00 H new ATOM 0 HA ILE A 607 -6.835 -6.285 6.218 1.00 0.00 H new ATOM 0 HB ILE A 607 -5.517 -4.323 5.242 1.00 0.00 H new ATOM 0 HG12 ILE A 607 -5.095 -6.295 2.969 1.00 0.00 H new ATOM 0 HG13 ILE A 607 -6.064 -4.838 2.866 1.00 0.00 H new ATOM 0 HG21 ILE A 607 -3.366 -5.516 5.355 1.00 0.00 H new ATOM 0 HG22 ILE A 607 -4.475 -6.036 6.645 1.00 0.00 H new ATOM 0 HG23 ILE A 607 -4.224 -7.069 5.218 1.00 0.00 H new ATOM 0 HD11 ILE A 607 -3.846 -4.486 1.896 1.00 0.00 H new ATOM 0 HD12 ILE A 607 -4.069 -3.462 3.335 1.00 0.00 H new ATOM 0 HD13 ILE A 607 -3.085 -4.941 3.439 1.00 0.00 H new ATOM 1161 N ASP A 608 -8.298 -4.248 5.657 1.00 0.00 N ATOM 1162 CA ASP A 608 -9.390 -3.315 5.404 1.00 0.00 C ATOM 1163 C ASP A 608 -8.879 -1.878 5.363 1.00 0.00 C ATOM 1164 O ASP A 608 -8.457 -1.330 6.381 1.00 0.00 O ATOM 1165 CB ASP A 608 -10.469 -3.456 6.478 1.00 0.00 C ATOM 1166 CG ASP A 608 -11.514 -4.493 6.116 1.00 0.00 C ATOM 1167 OD1 ASP A 608 -11.162 -5.688 6.040 1.00 0.00 O ATOM 1168 OD2 ASP A 608 -12.684 -4.109 5.908 1.00 0.00 O ATOM 0 H ASP A 608 -7.852 -4.137 6.567 1.00 0.00 H new ATOM 0 HA ASP A 608 -9.822 -3.555 4.433 1.00 0.00 H new ATOM 0 HB2 ASP A 608 -10.002 -3.730 7.424 1.00 0.00 H new ATOM 0 HB3 ASP A 608 -10.955 -2.492 6.629 1.00 0.00 H new ATOM 1173 N VAL A 609 -8.919 -1.274 4.180 1.00 0.00 N ATOM 1174 CA VAL A 609 -8.461 0.099 4.007 1.00 0.00 C ATOM 1175 C VAL A 609 -9.638 1.059 3.873 1.00 0.00 C ATOM 1176 O VAL A 609 -10.360 1.036 2.876 1.00 0.00 O ATOM 1177 CB VAL A 609 -7.557 0.236 2.767 1.00 0.00 C ATOM 1178 CG1 VAL A 609 -6.854 1.585 2.766 1.00 0.00 C ATOM 1179 CG2 VAL A 609 -6.547 -0.900 2.716 1.00 0.00 C ATOM 0 H VAL A 609 -9.264 -1.714 3.327 1.00 0.00 H new ATOM 0 HA VAL A 609 -7.887 0.356 4.897 1.00 0.00 H new ATOM 0 HB VAL A 609 -8.181 0.177 1.875 1.00 0.00 H new ATOM 0 HG11 VAL A 609 -6.220 1.664 1.883 1.00 0.00 H new ATOM 0 HG12 VAL A 609 -7.597 2.382 2.752 1.00 0.00 H new ATOM 0 HG13 VAL A 609 -6.241 1.676 3.662 1.00 0.00 H new ATOM 0 HG21 VAL A 609 -5.917 -0.787 1.834 1.00 0.00 H new ATOM 0 HG22 VAL A 609 -5.926 -0.875 3.611 1.00 0.00 H new ATOM 0 HG23 VAL A 609 -7.074 -1.853 2.666 1.00 0.00 H new ATOM 1189 N ARG A 610 -9.824 1.902 4.883 1.00 0.00 N ATOM 1190 CA ARG A 610 -10.915 2.870 4.878 1.00 0.00 C ATOM 1191 C ARG A 610 -10.387 4.284 5.106 1.00 0.00 C ATOM 1192 O ARG A 610 -9.265 4.469 5.576 1.00 0.00 O ATOM 1193 CB ARG A 610 -11.942 2.518 5.955 1.00 0.00 C ATOM 1194 CG ARG A 610 -12.347 1.052 5.954 1.00 0.00 C ATOM 1195 CD ARG A 610 -12.959 0.644 4.623 1.00 0.00 C ATOM 1196 NE ARG A 610 -13.928 -0.437 4.775 1.00 0.00 N ATOM 1197 CZ ARG A 610 -15.127 -0.278 5.325 1.00 0.00 C ATOM 1198 NH1 ARG A 610 -15.502 0.912 5.772 1.00 0.00 N ATOM 1199 NH2 ARG A 610 -15.954 -1.311 5.428 1.00 0.00 N ATOM 0 H ARG A 610 -9.234 1.935 5.715 1.00 0.00 H new ATOM 0 HA ARG A 610 -11.397 2.833 3.901 1.00 0.00 H new ATOM 0 HB2 ARG A 610 -11.533 2.773 6.933 1.00 0.00 H new ATOM 0 HB3 ARG A 610 -12.831 3.132 5.812 1.00 0.00 H new ATOM 0 HG2 ARG A 610 -11.474 0.432 6.160 1.00 0.00 H new ATOM 0 HG3 ARG A 610 -13.063 0.871 6.756 1.00 0.00 H new ATOM 0 HD2 ARG A 610 -13.446 1.507 4.169 1.00 0.00 H new ATOM 0 HD3 ARG A 610 -12.168 0.329 3.942 1.00 0.00 H new ATOM 0 HE ARG A 610 -13.671 -1.366 4.441 1.00 0.00 H new ATOM 0 HH11 ARG A 610 -14.870 1.709 5.694 1.00 0.00 H new ATOM 0 HH12 ARG A 610 -16.423 1.031 6.194 1.00 0.00 H new ATOM 0 HH21 ARG A 610 -15.669 -2.228 5.085 1.00 0.00 H new ATOM 0 HH22 ARG A 610 -16.874 -1.187 5.850 1.00 0.00 H new ATOM 1213 N ILE A 611 -11.205 5.276 4.770 1.00 0.00 N ATOM 1214 CA ILE A 611 -10.821 6.672 4.938 1.00 0.00 C ATOM 1215 C ILE A 611 -10.923 7.097 6.399 1.00 0.00 C ATOM 1216 O ILE A 611 -11.966 6.934 7.032 1.00 0.00 O ATOM 1217 CB ILE A 611 -11.696 7.604 4.081 1.00 0.00 C ATOM 1218 CG1 ILE A 611 -11.288 7.512 2.609 1.00 0.00 C ATOM 1219 CG2 ILE A 611 -11.588 9.038 4.578 1.00 0.00 C ATOM 1220 CD1 ILE A 611 -10.002 8.242 2.292 1.00 0.00 C ATOM 0 H ILE A 611 -12.137 5.139 4.380 1.00 0.00 H new ATOM 0 HA ILE A 611 -9.785 6.757 4.609 1.00 0.00 H new ATOM 0 HB ILE A 611 -12.735 7.287 4.171 1.00 0.00 H new ATOM 0 HG12 ILE A 611 -11.177 6.463 2.336 1.00 0.00 H new ATOM 0 HG13 ILE A 611 -12.089 7.919 1.992 1.00 0.00 H new ATOM 0 HG21 ILE A 611 -12.212 9.685 3.962 1.00 0.00 H new ATOM 0 HG22 ILE A 611 -11.923 9.090 5.614 1.00 0.00 H new ATOM 0 HG23 ILE A 611 -10.551 9.368 4.515 1.00 0.00 H new ATOM 0 HD11 ILE A 611 -9.774 8.134 1.232 1.00 0.00 H new ATOM 0 HD12 ILE A 611 -10.115 9.299 2.533 1.00 0.00 H new ATOM 0 HD13 ILE A 611 -9.189 7.820 2.882 1.00 0.00 H new ATOM 1232 N ASP A 612 -9.835 7.646 6.928 1.00 0.00 N ATOM 1233 CA ASP A 612 -9.803 8.098 8.313 1.00 0.00 C ATOM 1234 C ASP A 612 -10.014 9.607 8.397 1.00 0.00 C ATOM 1235 O ASP A 612 -9.173 10.333 8.926 1.00 0.00 O ATOM 1236 CB ASP A 612 -8.471 7.721 8.965 1.00 0.00 C ATOM 1237 CG ASP A 612 -8.604 7.479 10.456 1.00 0.00 C ATOM 1238 OD1 ASP A 612 -9.612 6.868 10.870 1.00 0.00 O ATOM 1239 OD2 ASP A 612 -7.700 7.899 11.207 1.00 0.00 O ATOM 0 H ASP A 612 -8.963 7.789 6.418 1.00 0.00 H new ATOM 0 HA ASP A 612 -10.614 7.604 8.849 1.00 0.00 H new ATOM 0 HB2 ASP A 612 -8.077 6.823 8.488 1.00 0.00 H new ATOM 0 HB3 ASP A 612 -7.747 8.517 8.792 1.00 0.00 H new