USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=14 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 561 CYS SG : rot 180:sc= -0.0902 USER MOD Set 1.2: A 596 MET CE :methyl -112:sc= -1.39 (180deg=-2.66!) USER MOD Set 1.3: A 597 MET CE :methyl -116:sc= -3.96 (180deg=-1.8!) USER MOD Set 1.4: A 600 MET CE :methyl 149:sc= -4.82! (180deg=-4.19!) USER MOD Single : A 544 ASN : amide:sc= -4.22! K(o=-4.2!,f=-2) USER MOD Single : A 550 THR OG1 : rot 180:sc= 0.0107 USER MOD Single : A 552 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 553 MET CE :methyl -136:sc= 0 (180deg=-0.0168) USER MOD Single : A 555 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 557 LYS NZ :NH3+ -111:sc= 0 (180deg=-0.231) USER MOD Single : A 559 ASN : amide:sc= -0.58 X(o=-0.58,f=-0.6!) USER MOD Single : A 563 HIS : no HD1:sc= -0.681 K(o=-0.68,f=-0.18) USER MOD Single : A 566 TYR OH : rot 180:sc= 0 USER MOD Single : A 570 LYS NZ :NH3+ -120:sc= -0.047 (180deg=-0.337) USER MOD Single : A 577 LYS NZ :NH3+ 134:sc= -0.946 (180deg=-3.04!) USER MOD Single : A 579 CYS SG : rot 66:sc= -3.51! USER MOD Single : A 583 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 586 SER OG : rot 180:sc= 0 USER MOD Single : A 594 CYS SG : rot 73:sc= -0.442 USER MOD Single : A 598 ASN : amide:sc= -2.9! C(o=-2.9!,f=-9.5!) USER MOD Single : A 601 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 603 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 539 -5.821 11.489 5.386 1.00 0.00 N ATOM 60 CA GLY A 539 -5.064 10.296 5.718 1.00 0.00 C ATOM 61 C GLY A 539 -5.957 9.104 6.003 1.00 0.00 C ATOM 62 O GLY A 539 -6.865 9.184 6.830 1.00 0.00 O ATOM 0 HA2 GLY A 539 -4.392 10.054 4.894 1.00 0.00 H new ATOM 0 HA3 GLY A 539 -4.440 10.496 6.589 1.00 0.00 H new ATOM 66 N ILE A 540 -5.699 7.996 5.317 1.00 0.00 N ATOM 67 CA ILE A 540 -6.486 6.783 5.500 1.00 0.00 C ATOM 68 C ILE A 540 -5.909 5.917 6.615 1.00 0.00 C ATOM 69 O ILE A 540 -4.874 6.243 7.197 1.00 0.00 O ATOM 70 CB ILE A 540 -6.553 5.954 4.204 1.00 0.00 C ATOM 71 CG1 ILE A 540 -5.237 5.207 3.981 1.00 0.00 C ATOM 72 CG2 ILE A 540 -6.866 6.853 3.017 1.00 0.00 C ATOM 73 CD1 ILE A 540 -5.282 4.236 2.823 1.00 0.00 C ATOM 0 H ILE A 540 -4.951 7.913 4.629 1.00 0.00 H new ATOM 0 HA ILE A 540 -7.493 7.098 5.772 1.00 0.00 H new ATOM 0 HB ILE A 540 -7.353 5.220 4.301 1.00 0.00 H new ATOM 0 HG12 ILE A 540 -4.442 5.932 3.806 1.00 0.00 H new ATOM 0 HG13 ILE A 540 -4.978 4.664 4.890 1.00 0.00 H new ATOM 0 HG21 ILE A 540 -6.910 6.253 2.108 1.00 0.00 H new ATOM 0 HG22 ILE A 540 -7.827 7.343 3.175 1.00 0.00 H new ATOM 0 HG23 ILE A 540 -6.086 7.607 2.916 1.00 0.00 H new ATOM 0 HD11 ILE A 540 -4.315 3.743 2.724 1.00 0.00 H new ATOM 0 HD12 ILE A 540 -6.054 3.488 3.005 1.00 0.00 H new ATOM 0 HD13 ILE A 540 -5.509 4.776 1.904 1.00 0.00 H new ATOM 85 N PHE A 541 -6.585 4.811 6.907 1.00 0.00 N ATOM 86 CA PHE A 541 -6.140 3.896 7.951 1.00 0.00 C ATOM 87 C PHE A 541 -6.186 2.451 7.464 1.00 0.00 C ATOM 88 O PHE A 541 -7.075 2.067 6.705 1.00 0.00 O ATOM 89 CB PHE A 541 -7.009 4.053 9.201 1.00 0.00 C ATOM 90 CG PHE A 541 -6.281 3.748 10.479 1.00 0.00 C ATOM 91 CD1 PHE A 541 -6.093 2.438 10.889 1.00 0.00 C ATOM 92 CD2 PHE A 541 -5.787 4.772 11.271 1.00 0.00 C ATOM 93 CE1 PHE A 541 -5.424 2.154 12.064 1.00 0.00 C ATOM 94 CE2 PHE A 541 -5.117 4.494 12.448 1.00 0.00 C ATOM 95 CZ PHE A 541 -4.936 3.183 12.845 1.00 0.00 C ATOM 0 H PHE A 541 -7.443 4.527 6.435 1.00 0.00 H new ATOM 0 HA PHE A 541 -5.108 4.144 8.201 1.00 0.00 H new ATOM 0 HB2 PHE A 541 -7.389 5.074 9.244 1.00 0.00 H new ATOM 0 HB3 PHE A 541 -7.873 3.394 9.118 1.00 0.00 H new ATOM 0 HD1 PHE A 541 -6.474 1.629 10.283 1.00 0.00 H new ATOM 0 HD2 PHE A 541 -5.927 5.798 10.966 1.00 0.00 H new ATOM 0 HE1 PHE A 541 -5.283 1.128 12.371 1.00 0.00 H new ATOM 0 HE2 PHE A 541 -4.736 5.301 13.056 1.00 0.00 H new ATOM 0 HZ PHE A 541 -4.414 2.963 13.764 1.00 0.00 H new ATOM 105 N VAL A 542 -5.220 1.652 7.907 1.00 0.00 N ATOM 106 CA VAL A 542 -5.149 0.249 7.518 1.00 0.00 C ATOM 107 C VAL A 542 -5.047 -0.656 8.741 1.00 0.00 C ATOM 108 O VAL A 542 -4.683 -0.208 9.828 1.00 0.00 O ATOM 109 CB VAL A 542 -3.946 -0.017 6.594 1.00 0.00 C ATOM 110 CG1 VAL A 542 -4.005 -1.430 6.033 1.00 0.00 C ATOM 111 CG2 VAL A 542 -3.899 1.009 5.472 1.00 0.00 C ATOM 0 H VAL A 542 -4.476 1.953 8.536 1.00 0.00 H new ATOM 0 HA VAL A 542 -6.069 0.023 6.978 1.00 0.00 H new ATOM 0 HB VAL A 542 -3.032 0.077 7.181 1.00 0.00 H new ATOM 0 HG11 VAL A 542 -3.147 -1.599 5.383 1.00 0.00 H new ATOM 0 HG12 VAL A 542 -3.986 -2.148 6.853 1.00 0.00 H new ATOM 0 HG13 VAL A 542 -4.924 -1.556 5.461 1.00 0.00 H new ATOM 0 HG21 VAL A 542 -3.043 0.806 4.829 1.00 0.00 H new ATOM 0 HG22 VAL A 542 -4.816 0.949 4.885 1.00 0.00 H new ATOM 0 HG23 VAL A 542 -3.805 2.008 5.897 1.00 0.00 H new ATOM 121 N ARG A 543 -5.369 -1.932 8.554 1.00 0.00 N ATOM 122 CA ARG A 543 -5.314 -2.901 9.643 1.00 0.00 C ATOM 123 C ARG A 543 -5.144 -4.317 9.101 1.00 0.00 C ATOM 124 O ARG A 543 -5.305 -4.559 7.906 1.00 0.00 O ATOM 125 CB ARG A 543 -6.583 -2.817 10.493 1.00 0.00 C ATOM 126 CG ARG A 543 -6.516 -1.763 11.586 1.00 0.00 C ATOM 127 CD ARG A 543 -7.615 -1.960 12.618 1.00 0.00 C ATOM 128 NE ARG A 543 -7.214 -2.884 13.676 1.00 0.00 N ATOM 129 CZ ARG A 543 -8.032 -3.303 14.635 1.00 0.00 C ATOM 130 NH1 ARG A 543 -9.290 -2.885 14.668 1.00 0.00 N ATOM 131 NH2 ARG A 543 -7.592 -4.144 15.563 1.00 0.00 N ATOM 0 H ARG A 543 -5.670 -2.319 7.660 1.00 0.00 H new ATOM 0 HA ARG A 543 -4.452 -2.663 10.266 1.00 0.00 H new ATOM 0 HB2 ARG A 543 -7.431 -2.601 9.844 1.00 0.00 H new ATOM 0 HB3 ARG A 543 -6.770 -3.789 10.949 1.00 0.00 H new ATOM 0 HG2 ARG A 543 -5.543 -1.807 12.076 1.00 0.00 H new ATOM 0 HG3 ARG A 543 -6.605 -0.771 11.143 1.00 0.00 H new ATOM 0 HD2 ARG A 543 -7.876 -0.997 13.057 1.00 0.00 H new ATOM 0 HD3 ARG A 543 -8.511 -2.339 12.126 1.00 0.00 H new ATOM 0 HE ARG A 543 -6.253 -3.226 13.678 1.00 0.00 H new ATOM 0 HH11 ARG A 543 -9.632 -2.240 13.956 1.00 0.00 H new ATOM 0 HH12 ARG A 543 -9.916 -3.209 15.406 1.00 0.00 H new ATOM 0 HH21 ARG A 543 -6.625 -4.469 15.540 1.00 0.00 H new ATOM 0 HH22 ARG A 543 -8.221 -4.465 16.299 1.00 0.00 H new ATOM 145 N ASN A 544 -4.817 -5.249 9.990 1.00 0.00 N ATOM 146 CA ASN A 544 -4.624 -6.642 9.602 1.00 0.00 C ATOM 147 C ASN A 544 -3.473 -6.775 8.609 1.00 0.00 C ATOM 148 O ASN A 544 -3.530 -7.581 7.680 1.00 0.00 O ATOM 149 CB ASN A 544 -5.908 -7.205 8.989 1.00 0.00 C ATOM 150 CG ASN A 544 -5.962 -8.719 9.052 1.00 0.00 C ATOM 151 OD1 ASN A 544 -7.038 -9.315 9.011 1.00 0.00 O ATOM 152 ND2 ASN A 544 -4.797 -9.349 9.152 1.00 0.00 N ATOM 0 H ASN A 544 -4.680 -5.065 10.984 1.00 0.00 H new ATOM 0 HA ASN A 544 -4.376 -7.212 10.498 1.00 0.00 H new ATOM 0 HB2 ASN A 544 -6.770 -6.791 9.513 1.00 0.00 H new ATOM 0 HB3 ASN A 544 -5.983 -6.884 7.950 1.00 0.00 H new ATOM 0 HD21 ASN A 544 -4.770 -10.368 9.198 1.00 0.00 H new ATOM 0 HD22 ASN A 544 -3.929 -8.814 9.183 1.00 0.00 H new ATOM 159 N LEU A 545 -2.428 -5.979 8.813 1.00 0.00 N ATOM 160 CA LEU A 545 -1.262 -6.008 7.937 1.00 0.00 C ATOM 161 C LEU A 545 -0.220 -6.997 8.449 1.00 0.00 C ATOM 162 O LEU A 545 -0.044 -7.182 9.654 1.00 0.00 O ATOM 163 CB LEU A 545 -0.647 -4.612 7.829 1.00 0.00 C ATOM 164 CG LEU A 545 -1.448 -3.585 7.027 1.00 0.00 C ATOM 165 CD1 LEU A 545 -1.010 -2.172 7.381 1.00 0.00 C ATOM 166 CD2 LEU A 545 -1.294 -3.836 5.534 1.00 0.00 C ATOM 0 H LEU A 545 -2.365 -5.306 9.577 1.00 0.00 H new ATOM 0 HA LEU A 545 -1.588 -6.332 6.949 1.00 0.00 H new ATOM 0 HB2 LEU A 545 -0.501 -4.222 8.836 1.00 0.00 H new ATOM 0 HB3 LEU A 545 0.340 -4.706 7.377 1.00 0.00 H new ATOM 0 HG LEU A 545 -2.501 -3.692 7.286 1.00 0.00 H new ATOM 0 HD11 LEU A 545 -1.591 -1.455 6.801 1.00 0.00 H new ATOM 0 HD12 LEU A 545 -1.174 -1.996 8.444 1.00 0.00 H new ATOM 0 HD13 LEU A 545 0.049 -2.051 7.152 1.00 0.00 H new ATOM 0 HD21 LEU A 545 -1.871 -3.096 4.979 1.00 0.00 H new ATOM 0 HD22 LEU A 545 -0.242 -3.758 5.258 1.00 0.00 H new ATOM 0 HD23 LEU A 545 -1.659 -4.835 5.293 1.00 0.00 H new ATOM 178 N PRO A 546 0.489 -7.647 7.514 1.00 0.00 N ATOM 179 CA PRO A 546 1.527 -8.627 7.848 1.00 0.00 C ATOM 180 C PRO A 546 2.759 -7.977 8.470 1.00 0.00 C ATOM 181 O PRO A 546 3.135 -6.862 8.106 1.00 0.00 O ATOM 182 CB PRO A 546 1.877 -9.247 6.493 1.00 0.00 C ATOM 183 CG PRO A 546 1.520 -8.202 5.493 1.00 0.00 C ATOM 184 CD PRO A 546 0.331 -7.476 6.060 1.00 0.00 C ATOM 0 HA PRO A 546 1.183 -9.350 8.588 1.00 0.00 H new ATOM 0 HB2 PRO A 546 2.935 -9.503 6.437 1.00 0.00 H new ATOM 0 HB3 PRO A 546 1.317 -10.166 6.322 1.00 0.00 H new ATOM 0 HG2 PRO A 546 2.353 -7.518 5.329 1.00 0.00 H new ATOM 0 HG3 PRO A 546 1.280 -8.650 4.529 1.00 0.00 H new ATOM 0 HD2 PRO A 546 0.330 -6.423 5.777 1.00 0.00 H new ATOM 0 HD3 PRO A 546 -0.607 -7.902 5.705 1.00 0.00 H new ATOM 192 N PHE A 547 3.383 -8.680 9.408 1.00 0.00 N ATOM 193 CA PHE A 547 4.572 -8.171 10.082 1.00 0.00 C ATOM 194 C PHE A 547 5.621 -7.723 9.068 1.00 0.00 C ATOM 195 O PHE A 547 6.148 -6.614 9.154 1.00 0.00 O ATOM 196 CB PHE A 547 5.161 -9.242 11.002 1.00 0.00 C ATOM 197 CG PHE A 547 4.353 -9.473 12.247 1.00 0.00 C ATOM 198 CD1 PHE A 547 3.989 -8.411 13.059 1.00 0.00 C ATOM 199 CD2 PHE A 547 3.959 -10.752 12.606 1.00 0.00 C ATOM 200 CE1 PHE A 547 3.245 -8.620 14.205 1.00 0.00 C ATOM 201 CE2 PHE A 547 3.215 -10.966 13.751 1.00 0.00 C ATOM 202 CZ PHE A 547 2.859 -9.899 14.552 1.00 0.00 C ATOM 0 H PHE A 547 3.085 -9.605 9.719 1.00 0.00 H new ATOM 0 HA PHE A 547 4.279 -7.309 10.681 1.00 0.00 H new ATOM 0 HB2 PHE A 547 5.241 -10.179 10.451 1.00 0.00 H new ATOM 0 HB3 PHE A 547 6.173 -8.951 11.284 1.00 0.00 H new ATOM 0 HD1 PHE A 547 4.290 -7.408 12.793 1.00 0.00 H new ATOM 0 HD2 PHE A 547 4.236 -11.591 11.984 1.00 0.00 H new ATOM 0 HE1 PHE A 547 2.966 -7.783 14.828 1.00 0.00 H new ATOM 0 HE2 PHE A 547 2.912 -11.967 14.019 1.00 0.00 H new ATOM 0 HZ PHE A 547 2.280 -10.065 15.448 1.00 0.00 H new ATOM 212 N ASP A 548 5.918 -8.593 8.109 1.00 0.00 N ATOM 213 CA ASP A 548 6.903 -8.288 7.078 1.00 0.00 C ATOM 214 C ASP A 548 6.656 -6.906 6.482 1.00 0.00 C ATOM 215 O ASP A 548 7.550 -6.307 5.885 1.00 0.00 O ATOM 216 CB ASP A 548 6.863 -9.347 5.975 1.00 0.00 C ATOM 217 CG ASP A 548 7.559 -10.632 6.381 1.00 0.00 C ATOM 218 OD1 ASP A 548 7.268 -11.142 7.484 1.00 0.00 O ATOM 219 OD2 ASP A 548 8.393 -11.128 5.596 1.00 0.00 O ATOM 0 H ASP A 548 5.491 -9.515 8.024 1.00 0.00 H new ATOM 0 HA ASP A 548 7.890 -8.293 7.541 1.00 0.00 H new ATOM 0 HB2 ASP A 548 5.825 -9.564 5.721 1.00 0.00 H new ATOM 0 HB3 ASP A 548 7.335 -8.950 5.076 1.00 0.00 H new ATOM 224 N PHE A 549 5.436 -6.406 6.648 1.00 0.00 N ATOM 225 CA PHE A 549 5.069 -5.095 6.124 1.00 0.00 C ATOM 226 C PHE A 549 5.805 -3.986 6.872 1.00 0.00 C ATOM 227 O PHE A 549 5.461 -3.652 8.006 1.00 0.00 O ATOM 228 CB PHE A 549 3.558 -4.883 6.232 1.00 0.00 C ATOM 229 CG PHE A 549 2.999 -3.996 5.157 1.00 0.00 C ATOM 230 CD1 PHE A 549 2.770 -4.490 3.882 1.00 0.00 C ATOM 231 CD2 PHE A 549 2.700 -2.669 5.420 1.00 0.00 C ATOM 232 CE1 PHE A 549 2.256 -3.677 2.891 1.00 0.00 C ATOM 233 CE2 PHE A 549 2.186 -1.850 4.432 1.00 0.00 C ATOM 234 CZ PHE A 549 1.962 -2.355 3.166 1.00 0.00 C ATOM 0 H PHE A 549 4.685 -6.888 7.141 1.00 0.00 H new ATOM 0 HA PHE A 549 5.359 -5.056 5.074 1.00 0.00 H new ATOM 0 HB2 PHE A 549 3.059 -5.851 6.189 1.00 0.00 H new ATOM 0 HB3 PHE A 549 3.329 -4.449 7.205 1.00 0.00 H new ATOM 0 HD1 PHE A 549 2.996 -5.523 3.661 1.00 0.00 H new ATOM 0 HD2 PHE A 549 2.871 -2.270 6.409 1.00 0.00 H new ATOM 0 HE1 PHE A 549 2.084 -4.074 1.902 1.00 0.00 H new ATOM 0 HE2 PHE A 549 1.960 -0.817 4.650 1.00 0.00 H new ATOM 0 HZ PHE A 549 1.558 -1.718 2.393 1.00 0.00 H new ATOM 244 N THR A 550 6.820 -3.418 6.228 1.00 0.00 N ATOM 245 CA THR A 550 7.605 -2.349 6.831 1.00 0.00 C ATOM 246 C THR A 550 7.157 -0.984 6.322 1.00 0.00 C ATOM 247 O THR A 550 6.643 -0.863 5.210 1.00 0.00 O ATOM 248 CB THR A 550 9.108 -2.524 6.541 1.00 0.00 C ATOM 249 OG1 THR A 550 9.299 -2.956 5.189 1.00 0.00 O ATOM 250 CG2 THR A 550 9.729 -3.534 7.494 1.00 0.00 C ATOM 0 H THR A 550 7.117 -3.681 5.288 1.00 0.00 H new ATOM 0 HA THR A 550 7.441 -2.404 7.907 1.00 0.00 H new ATOM 0 HB THR A 550 9.598 -1.561 6.687 1.00 0.00 H new ATOM 0 HG1 THR A 550 10.257 -3.063 5.012 1.00 0.00 H new ATOM 0 HG21 THR A 550 10.790 -3.641 7.270 1.00 0.00 H new ATOM 0 HG22 THR A 550 9.608 -3.188 8.520 1.00 0.00 H new ATOM 0 HG23 THR A 550 9.234 -4.498 7.375 1.00 0.00 H new ATOM 258 N TRP A 551 7.355 0.042 7.142 1.00 0.00 N ATOM 259 CA TRP A 551 6.971 1.400 6.774 1.00 0.00 C ATOM 260 C TRP A 551 7.217 1.652 5.290 1.00 0.00 C ATOM 261 O TRP A 551 6.353 2.177 4.588 1.00 0.00 O ATOM 262 CB TRP A 551 7.748 2.417 7.612 1.00 0.00 C ATOM 263 CG TRP A 551 9.222 2.405 7.344 1.00 0.00 C ATOM 264 CD1 TRP A 551 10.158 1.611 7.945 1.00 0.00 C ATOM 265 CD2 TRP A 551 9.930 3.225 6.408 1.00 0.00 C ATOM 266 NE1 TRP A 551 11.405 1.889 7.438 1.00 0.00 N ATOM 267 CE2 TRP A 551 11.292 2.875 6.494 1.00 0.00 C ATOM 268 CE3 TRP A 551 9.546 4.220 5.505 1.00 0.00 C ATOM 269 CZ2 TRP A 551 12.268 3.486 5.711 1.00 0.00 C ATOM 270 CZ3 TRP A 551 10.516 4.825 4.729 1.00 0.00 C ATOM 271 CH2 TRP A 551 11.863 4.456 4.835 1.00 0.00 C ATOM 0 H TRP A 551 7.779 -0.041 8.066 1.00 0.00 H new ATOM 0 HA TRP A 551 5.905 1.516 6.972 1.00 0.00 H new ATOM 0 HB2 TRP A 551 7.358 3.415 7.413 1.00 0.00 H new ATOM 0 HB3 TRP A 551 7.576 2.213 8.669 1.00 0.00 H new ATOM 0 HD1 TRP A 551 9.949 0.874 8.706 1.00 0.00 H new ATOM 0 HE1 TRP A 551 12.274 1.435 7.719 1.00 0.00 H new ATOM 0 HE3 TRP A 551 8.510 4.511 5.415 1.00 0.00 H new ATOM 0 HZ2 TRP A 551 13.307 3.204 5.792 1.00 0.00 H new ATOM 0 HZ3 TRP A 551 10.231 5.596 4.028 1.00 0.00 H new ATOM 0 HH2 TRP A 551 12.597 4.947 4.213 1.00 0.00 H new ATOM 282 N LYS A 552 8.400 1.274 4.819 1.00 0.00 N ATOM 283 CA LYS A 552 8.760 1.457 3.418 1.00 0.00 C ATOM 284 C LYS A 552 7.662 0.927 2.500 1.00 0.00 C ATOM 285 O LYS A 552 7.248 1.601 1.558 1.00 0.00 O ATOM 286 CB LYS A 552 10.081 0.749 3.112 1.00 0.00 C ATOM 287 CG LYS A 552 11.304 1.624 3.327 1.00 0.00 C ATOM 288 CD LYS A 552 12.481 1.152 2.490 1.00 0.00 C ATOM 289 CE LYS A 552 13.215 -0.001 3.160 1.00 0.00 C ATOM 290 NZ LYS A 552 14.401 -0.436 2.372 1.00 0.00 N ATOM 0 H LYS A 552 9.127 0.839 5.387 1.00 0.00 H new ATOM 0 HA LYS A 552 8.877 2.525 3.236 1.00 0.00 H new ATOM 0 HB2 LYS A 552 10.163 -0.137 3.742 1.00 0.00 H new ATOM 0 HB3 LYS A 552 10.068 0.405 2.078 1.00 0.00 H new ATOM 0 HG2 LYS A 552 11.064 2.656 3.070 1.00 0.00 H new ATOM 0 HG3 LYS A 552 11.579 1.614 4.382 1.00 0.00 H new ATOM 0 HD2 LYS A 552 12.128 0.838 1.508 1.00 0.00 H new ATOM 0 HD3 LYS A 552 13.171 1.981 2.331 1.00 0.00 H new ATOM 0 HE2 LYS A 552 13.533 0.302 4.158 1.00 0.00 H new ATOM 0 HE3 LYS A 552 12.533 -0.842 3.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 552 14.873 -1.223 2.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 552 14.095 -0.749 1.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 552 15.064 0.359 2.275 1.00 0.00 H new ATOM 304 N MET A 553 7.195 -0.285 2.784 1.00 0.00 N ATOM 305 CA MET A 553 6.143 -0.904 1.985 1.00 0.00 C ATOM 306 C MET A 553 4.892 -0.031 1.963 1.00 0.00 C ATOM 307 O MET A 553 4.470 0.441 0.907 1.00 0.00 O ATOM 308 CB MET A 553 5.803 -2.290 2.537 1.00 0.00 C ATOM 309 CG MET A 553 6.992 -3.236 2.575 1.00 0.00 C ATOM 310 SD MET A 553 7.327 -3.997 0.975 1.00 0.00 S ATOM 311 CE MET A 553 6.087 -5.289 0.949 1.00 0.00 C ATOM 0 H MET A 553 7.528 -0.857 3.560 1.00 0.00 H new ATOM 0 HA MET A 553 6.510 -1.008 0.964 1.00 0.00 H new ATOM 0 HB2 MET A 553 5.402 -2.183 3.545 1.00 0.00 H new ATOM 0 HB3 MET A 553 5.016 -2.733 1.926 1.00 0.00 H new ATOM 0 HG2 MET A 553 7.876 -2.689 2.905 1.00 0.00 H new ATOM 0 HG3 MET A 553 6.806 -4.017 3.312 1.00 0.00 H new ATOM 0 HE1 MET A 553 6.534 -6.215 0.588 1.00 0.00 H new ATOM 0 HE2 MET A 553 5.700 -5.442 1.956 1.00 0.00 H new ATOM 0 HE3 MET A 553 5.272 -4.997 0.287 1.00 0.00 H new ATOM 321 N LEU A 554 4.303 0.179 3.135 1.00 0.00 N ATOM 322 CA LEU A 554 3.099 0.995 3.251 1.00 0.00 C ATOM 323 C LEU A 554 3.143 2.171 2.280 1.00 0.00 C ATOM 324 O LEU A 554 2.150 2.488 1.626 1.00 0.00 O ATOM 325 CB LEU A 554 2.942 1.507 4.683 1.00 0.00 C ATOM 326 CG LEU A 554 1.597 2.151 5.022 1.00 0.00 C ATOM 327 CD1 LEU A 554 0.509 1.093 5.122 1.00 0.00 C ATOM 328 CD2 LEU A 554 1.695 2.941 6.319 1.00 0.00 C ATOM 0 H LEU A 554 4.639 -0.204 4.018 1.00 0.00 H new ATOM 0 HA LEU A 554 2.241 0.371 2.999 1.00 0.00 H new ATOM 0 HB2 LEU A 554 3.105 0.673 5.366 1.00 0.00 H new ATOM 0 HB3 LEU A 554 3.730 2.235 4.876 1.00 0.00 H new ATOM 0 HG LEU A 554 1.334 2.840 4.219 1.00 0.00 H new ATOM 0 HD11 LEU A 554 -0.441 1.570 5.364 1.00 0.00 H new ATOM 0 HD12 LEU A 554 0.421 0.571 4.169 1.00 0.00 H new ATOM 0 HD13 LEU A 554 0.766 0.379 5.905 1.00 0.00 H new ATOM 0 HD21 LEU A 554 0.729 3.392 6.544 1.00 0.00 H new ATOM 0 HD22 LEU A 554 1.982 2.273 7.131 1.00 0.00 H new ATOM 0 HD23 LEU A 554 2.445 3.725 6.212 1.00 0.00 H new ATOM 340 N LYS A 555 4.303 2.814 2.190 1.00 0.00 N ATOM 341 CA LYS A 555 4.479 3.953 1.297 1.00 0.00 C ATOM 342 C LYS A 555 4.478 3.506 -0.161 1.00 0.00 C ATOM 343 O LYS A 555 3.536 3.785 -0.904 1.00 0.00 O ATOM 344 CB LYS A 555 5.787 4.680 1.617 1.00 0.00 C ATOM 345 CG LYS A 555 6.183 5.708 0.572 1.00 0.00 C ATOM 346 CD LYS A 555 7.670 6.016 0.628 1.00 0.00 C ATOM 347 CE LYS A 555 7.961 7.442 0.185 1.00 0.00 C ATOM 348 NZ LYS A 555 8.190 7.531 -1.284 1.00 0.00 N ATOM 0 H LYS A 555 5.135 2.565 2.725 1.00 0.00 H new ATOM 0 HA LYS A 555 3.643 4.636 1.450 1.00 0.00 H new ATOM 0 HB2 LYS A 555 5.691 5.175 2.583 1.00 0.00 H new ATOM 0 HB3 LYS A 555 6.587 3.946 1.713 1.00 0.00 H new ATOM 0 HG2 LYS A 555 5.924 5.338 -0.420 1.00 0.00 H new ATOM 0 HG3 LYS A 555 5.614 6.625 0.728 1.00 0.00 H new ATOM 0 HD2 LYS A 555 8.035 5.868 1.644 1.00 0.00 H new ATOM 0 HD3 LYS A 555 8.212 5.318 -0.010 1.00 0.00 H new ATOM 0 HE2 LYS A 555 7.126 8.086 0.462 1.00 0.00 H new ATOM 0 HE3 LYS A 555 8.839 7.814 0.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 555 8.385 8.518 -1.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 555 9.002 6.937 -1.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 555 7.343 7.200 -1.788 1.00 0.00 H new ATOM 362 N ASP A 556 5.536 2.812 -0.564 1.00 0.00 N ATOM 363 CA ASP A 556 5.655 2.325 -1.933 1.00 0.00 C ATOM 364 C ASP A 556 4.409 1.546 -2.343 1.00 0.00 C ATOM 365 O ASP A 556 3.716 1.917 -3.290 1.00 0.00 O ATOM 366 CB ASP A 556 6.895 1.440 -2.076 1.00 0.00 C ATOM 367 CG ASP A 556 8.175 2.178 -1.737 1.00 0.00 C ATOM 368 OD1 ASP A 556 8.303 2.646 -0.586 1.00 0.00 O ATOM 369 OD2 ASP A 556 9.049 2.286 -2.621 1.00 0.00 O ATOM 0 H ASP A 556 6.324 2.574 0.038 1.00 0.00 H new ATOM 0 HA ASP A 556 5.755 3.187 -2.592 1.00 0.00 H new ATOM 0 HB2 ASP A 556 6.796 0.572 -1.424 1.00 0.00 H new ATOM 0 HB3 ASP A 556 6.955 1.066 -3.098 1.00 0.00 H new ATOM 374 N LYS A 557 4.131 0.464 -1.624 1.00 0.00 N ATOM 375 CA LYS A 557 2.968 -0.368 -1.911 1.00 0.00 C ATOM 376 C LYS A 557 1.778 0.487 -2.334 1.00 0.00 C ATOM 377 O LYS A 557 1.063 0.150 -3.278 1.00 0.00 O ATOM 378 CB LYS A 557 2.599 -1.205 -0.685 1.00 0.00 C ATOM 379 CG LYS A 557 1.200 -1.793 -0.749 1.00 0.00 C ATOM 380 CD LYS A 557 0.979 -2.567 -2.038 1.00 0.00 C ATOM 381 CE LYS A 557 1.389 -4.025 -1.890 1.00 0.00 C ATOM 382 NZ LYS A 557 2.806 -4.246 -2.293 1.00 0.00 N ATOM 0 H LYS A 557 4.695 0.142 -0.838 1.00 0.00 H new ATOM 0 HA LYS A 557 3.224 -1.035 -2.734 1.00 0.00 H new ATOM 0 HB2 LYS A 557 3.320 -2.015 -0.578 1.00 0.00 H new ATOM 0 HB3 LYS A 557 2.683 -0.584 0.207 1.00 0.00 H new ATOM 0 HG2 LYS A 557 1.042 -2.453 0.104 1.00 0.00 H new ATOM 0 HG3 LYS A 557 0.464 -0.993 -0.673 1.00 0.00 H new ATOM 0 HD2 LYS A 557 -0.072 -2.510 -2.322 1.00 0.00 H new ATOM 0 HD3 LYS A 557 1.552 -2.107 -2.843 1.00 0.00 H new ATOM 0 HE2 LYS A 557 1.253 -4.337 -0.855 1.00 0.00 H new ATOM 0 HE3 LYS A 557 0.736 -4.650 -2.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 557 2.834 -4.802 -3.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 557 3.270 -3.328 -2.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 557 3.305 -4.762 -1.540 1.00 0.00 H new ATOM 396 N PHE A 558 1.572 1.595 -1.631 1.00 0.00 N ATOM 397 CA PHE A 558 0.469 2.499 -1.934 1.00 0.00 C ATOM 398 C PHE A 558 0.858 3.483 -3.033 1.00 0.00 C ATOM 399 O PHE A 558 0.009 3.954 -3.789 1.00 0.00 O ATOM 400 CB PHE A 558 0.047 3.262 -0.677 1.00 0.00 C ATOM 401 CG PHE A 558 -0.777 2.442 0.274 1.00 0.00 C ATOM 402 CD1 PHE A 558 -0.368 1.172 0.648 1.00 0.00 C ATOM 403 CD2 PHE A 558 -1.960 2.942 0.795 1.00 0.00 C ATOM 404 CE1 PHE A 558 -1.125 0.415 1.522 1.00 0.00 C ATOM 405 CE2 PHE A 558 -2.721 2.189 1.670 1.00 0.00 C ATOM 406 CZ PHE A 558 -2.303 0.925 2.035 1.00 0.00 C ATOM 0 H PHE A 558 2.155 1.889 -0.847 1.00 0.00 H new ATOM 0 HA PHE A 558 -0.371 1.901 -2.287 1.00 0.00 H new ATOM 0 HB2 PHE A 558 0.939 3.616 -0.160 1.00 0.00 H new ATOM 0 HB3 PHE A 558 -0.522 4.144 -0.971 1.00 0.00 H new ATOM 0 HD1 PHE A 558 0.553 0.769 0.252 1.00 0.00 H new ATOM 0 HD2 PHE A 558 -2.291 3.931 0.514 1.00 0.00 H new ATOM 0 HE1 PHE A 558 -0.796 -0.574 1.804 1.00 0.00 H new ATOM 0 HE2 PHE A 558 -3.642 2.589 2.068 1.00 0.00 H new ATOM 0 HZ PHE A 558 -2.895 0.336 2.720 1.00 0.00 H new ATOM 416 N ASN A 559 2.149 3.790 -3.115 1.00 0.00 N ATOM 417 CA ASN A 559 2.651 4.719 -4.121 1.00 0.00 C ATOM 418 C ASN A 559 2.098 4.378 -5.501 1.00 0.00 C ATOM 419 O ASN A 559 1.913 5.258 -6.340 1.00 0.00 O ATOM 420 CB ASN A 559 4.181 4.691 -4.151 1.00 0.00 C ATOM 421 CG ASN A 559 4.766 5.889 -4.873 1.00 0.00 C ATOM 422 OD1 ASN A 559 4.137 6.460 -5.764 1.00 0.00 O ATOM 423 ND2 ASN A 559 5.978 6.276 -4.491 1.00 0.00 N ATOM 0 H ASN A 559 2.866 3.409 -2.497 1.00 0.00 H new ATOM 0 HA ASN A 559 2.317 5.721 -3.853 1.00 0.00 H new ATOM 0 HB2 ASN A 559 4.561 4.664 -3.130 1.00 0.00 H new ATOM 0 HB3 ASN A 559 4.516 3.776 -4.640 1.00 0.00 H new ATOM 0 HD21 ASN A 559 6.423 7.076 -4.941 1.00 0.00 H new ATOM 0 HD22 ASN A 559 6.463 5.773 -3.748 1.00 0.00 H new ATOM 430 N GLU A 560 1.835 3.095 -5.727 1.00 0.00 N ATOM 431 CA GLU A 560 1.303 2.638 -7.006 1.00 0.00 C ATOM 432 C GLU A 560 -0.020 3.329 -7.322 1.00 0.00 C ATOM 433 O GLU A 560 -0.258 3.750 -8.455 1.00 0.00 O ATOM 434 CB GLU A 560 1.108 1.121 -6.989 1.00 0.00 C ATOM 435 CG GLU A 560 2.393 0.344 -6.760 1.00 0.00 C ATOM 436 CD GLU A 560 2.231 -1.142 -7.017 1.00 0.00 C ATOM 437 OE1 GLU A 560 1.365 -1.510 -7.839 1.00 0.00 O ATOM 438 OE2 GLU A 560 2.968 -1.936 -6.398 1.00 0.00 O ATOM 0 H GLU A 560 1.981 2.354 -5.042 1.00 0.00 H new ATOM 0 HA GLU A 560 2.022 2.896 -7.783 1.00 0.00 H new ATOM 0 HB2 GLU A 560 0.394 0.864 -6.207 1.00 0.00 H new ATOM 0 HB3 GLU A 560 0.669 0.809 -7.937 1.00 0.00 H new ATOM 0 HG2 GLU A 560 3.173 0.739 -7.412 1.00 0.00 H new ATOM 0 HG3 GLU A 560 2.728 0.497 -5.734 1.00 0.00 H new ATOM 445 N CYS A 561 -0.878 3.442 -6.313 1.00 0.00 N ATOM 446 CA CYS A 561 -2.178 4.080 -6.483 1.00 0.00 C ATOM 447 C CYS A 561 -2.019 5.565 -6.792 1.00 0.00 C ATOM 448 O CYS A 561 -2.630 6.085 -7.725 1.00 0.00 O ATOM 449 CB CYS A 561 -3.027 3.897 -5.224 1.00 0.00 C ATOM 450 SG CYS A 561 -3.184 2.179 -4.683 1.00 0.00 S ATOM 0 H CYS A 561 -0.696 3.100 -5.369 1.00 0.00 H new ATOM 0 HA CYS A 561 -2.681 3.604 -7.325 1.00 0.00 H new ATOM 0 HB2 CYS A 561 -2.590 4.483 -4.415 1.00 0.00 H new ATOM 0 HB3 CYS A 561 -4.022 4.301 -5.408 1.00 0.00 H new ATOM 0 HG CYS A 561 -3.917 2.127 -3.611 1.00 0.00 H new ATOM 456 N GLY A 562 -1.193 6.244 -6.001 1.00 0.00 N ATOM 457 CA GLY A 562 -0.970 7.663 -6.206 1.00 0.00 C ATOM 458 C GLY A 562 0.347 8.133 -5.618 1.00 0.00 C ATOM 459 O GLY A 562 1.402 7.572 -5.914 1.00 0.00 O ATOM 0 H GLY A 562 -0.675 5.837 -5.223 1.00 0.00 H new ATOM 0 HA2 GLY A 562 -0.986 7.880 -7.274 1.00 0.00 H new ATOM 0 HA3 GLY A 562 -1.787 8.225 -5.755 1.00 0.00 H new ATOM 463 N HIS A 563 0.285 9.167 -4.785 1.00 0.00 N ATOM 464 CA HIS A 563 1.482 9.713 -4.156 1.00 0.00 C ATOM 465 C HIS A 563 1.371 9.656 -2.635 1.00 0.00 C ATOM 466 O HIS A 563 0.428 10.189 -2.051 1.00 0.00 O ATOM 467 CB HIS A 563 1.708 11.156 -4.608 1.00 0.00 C ATOM 468 CG HIS A 563 2.986 11.750 -4.100 1.00 0.00 C ATOM 469 ND1 HIS A 563 4.015 12.144 -4.929 1.00 0.00 N ATOM 470 CD2 HIS A 563 3.398 12.017 -2.838 1.00 0.00 C ATOM 471 CE1 HIS A 563 5.005 12.627 -4.200 1.00 0.00 C ATOM 472 NE2 HIS A 563 4.656 12.561 -2.928 1.00 0.00 N ATOM 0 H HIS A 563 -0.580 9.643 -4.530 1.00 0.00 H new ATOM 0 HA HIS A 563 2.333 9.106 -4.464 1.00 0.00 H new ATOM 0 HB2 HIS A 563 1.709 11.191 -5.697 1.00 0.00 H new ATOM 0 HB3 HIS A 563 0.872 11.769 -4.270 1.00 0.00 H new ATOM 0 HD2 HIS A 563 2.841 11.836 -1.930 1.00 0.00 H new ATOM 0 HE1 HIS A 563 5.941 13.011 -4.580 1.00 0.00 H new ATOM 0 HE2 HIS A 563 5.228 12.865 -2.140 1.00 0.00 H new ATOM 481 N VAL A 564 2.340 9.004 -2.000 1.00 0.00 N ATOM 482 CA VAL A 564 2.351 8.877 -0.547 1.00 0.00 C ATOM 483 C VAL A 564 3.157 9.999 0.096 1.00 0.00 C ATOM 484 O VAL A 564 4.304 10.248 -0.277 1.00 0.00 O ATOM 485 CB VAL A 564 2.936 7.522 -0.107 1.00 0.00 C ATOM 486 CG1 VAL A 564 2.999 7.435 1.410 1.00 0.00 C ATOM 487 CG2 VAL A 564 2.117 6.376 -0.682 1.00 0.00 C ATOM 0 H VAL A 564 3.127 8.556 -2.469 1.00 0.00 H new ATOM 0 HA VAL A 564 1.315 8.942 -0.215 1.00 0.00 H new ATOM 0 HB VAL A 564 3.952 7.442 -0.494 1.00 0.00 H new ATOM 0 HG11 VAL A 564 3.415 6.471 1.702 1.00 0.00 H new ATOM 0 HG12 VAL A 564 3.632 8.235 1.794 1.00 0.00 H new ATOM 0 HG13 VAL A 564 1.995 7.537 1.822 1.00 0.00 H new ATOM 0 HG21 VAL A 564 2.545 5.426 -0.361 1.00 0.00 H new ATOM 0 HG22 VAL A 564 1.089 6.450 -0.327 1.00 0.00 H new ATOM 0 HG23 VAL A 564 2.130 6.430 -1.771 1.00 0.00 H new ATOM 497 N LEU A 565 2.550 10.675 1.066 1.00 0.00 N ATOM 498 CA LEU A 565 3.211 11.772 1.764 1.00 0.00 C ATOM 499 C LEU A 565 3.652 11.343 3.159 1.00 0.00 C ATOM 500 O LEU A 565 4.743 11.691 3.611 1.00 0.00 O ATOM 501 CB LEU A 565 2.275 12.978 1.861 1.00 0.00 C ATOM 502 CG LEU A 565 1.834 13.594 0.532 1.00 0.00 C ATOM 503 CD1 LEU A 565 0.747 14.633 0.760 1.00 0.00 C ATOM 504 CD2 LEU A 565 3.022 14.212 -0.190 1.00 0.00 C ATOM 0 H LEU A 565 1.601 10.482 1.387 1.00 0.00 H new ATOM 0 HA LEU A 565 4.097 12.052 1.193 1.00 0.00 H new ATOM 0 HB2 LEU A 565 1.384 12.678 2.413 1.00 0.00 H new ATOM 0 HB3 LEU A 565 2.770 13.750 2.450 1.00 0.00 H new ATOM 0 HG LEU A 565 1.425 12.802 -0.096 1.00 0.00 H new ATOM 0 HD11 LEU A 565 0.446 15.060 -0.196 1.00 0.00 H new ATOM 0 HD12 LEU A 565 -0.114 14.161 1.234 1.00 0.00 H new ATOM 0 HD13 LEU A 565 1.129 15.423 1.406 1.00 0.00 H new ATOM 0 HD21 LEU A 565 2.689 14.645 -1.133 1.00 0.00 H new ATOM 0 HD22 LEU A 565 3.461 14.992 0.433 1.00 0.00 H new ATOM 0 HD23 LEU A 565 3.768 13.442 -0.387 1.00 0.00 H new ATOM 516 N TYR A 566 2.798 10.583 3.836 1.00 0.00 N ATOM 517 CA TYR A 566 3.099 10.106 5.181 1.00 0.00 C ATOM 518 C TYR A 566 2.807 8.614 5.308 1.00 0.00 C ATOM 519 O TYR A 566 1.846 8.107 4.730 1.00 0.00 O ATOM 520 CB TYR A 566 2.286 10.886 6.215 1.00 0.00 C ATOM 521 CG TYR A 566 2.549 10.457 7.641 1.00 0.00 C ATOM 522 CD1 TYR A 566 3.779 10.693 8.243 1.00 0.00 C ATOM 523 CD2 TYR A 566 1.568 9.816 8.387 1.00 0.00 C ATOM 524 CE1 TYR A 566 4.024 10.302 9.545 1.00 0.00 C ATOM 525 CE2 TYR A 566 1.803 9.423 9.690 1.00 0.00 C ATOM 526 CZ TYR A 566 3.033 9.668 10.264 1.00 0.00 C ATOM 527 OH TYR A 566 3.273 9.278 11.562 1.00 0.00 O ATOM 0 H TYR A 566 1.892 10.284 3.476 1.00 0.00 H new ATOM 0 HA TYR A 566 4.161 10.267 5.367 1.00 0.00 H new ATOM 0 HB2 TYR A 566 2.512 11.948 6.116 1.00 0.00 H new ATOM 0 HB3 TYR A 566 1.225 10.764 5.998 1.00 0.00 H new ATOM 0 HD1 TYR A 566 4.557 11.191 7.683 1.00 0.00 H new ATOM 0 HD2 TYR A 566 0.604 9.621 7.940 1.00 0.00 H new ATOM 0 HE1 TYR A 566 4.986 10.492 9.997 1.00 0.00 H new ATOM 0 HE2 TYR A 566 1.028 8.927 10.256 1.00 0.00 H new ATOM 0 HH TYR A 566 2.472 8.847 11.927 1.00 0.00 H new ATOM 537 N ALA A 567 3.644 7.917 6.068 1.00 0.00 N ATOM 538 CA ALA A 567 3.476 6.484 6.274 1.00 0.00 C ATOM 539 C ALA A 567 4.226 6.016 7.517 1.00 0.00 C ATOM 540 O ALA A 567 5.452 6.102 7.583 1.00 0.00 O ATOM 541 CB ALA A 567 3.949 5.715 5.049 1.00 0.00 C ATOM 0 H ALA A 567 4.446 8.321 6.552 1.00 0.00 H new ATOM 0 HA ALA A 567 2.415 6.286 6.426 1.00 0.00 H new ATOM 0 HB1 ALA A 567 3.818 4.646 5.217 1.00 0.00 H new ATOM 0 HB2 ALA A 567 3.366 6.020 4.180 1.00 0.00 H new ATOM 0 HB3 ALA A 567 5.003 5.927 4.871 1.00 0.00 H new ATOM 547 N ASP A 568 3.482 5.521 8.500 1.00 0.00 N ATOM 548 CA ASP A 568 4.076 5.039 9.741 1.00 0.00 C ATOM 549 C ASP A 568 3.306 3.839 10.282 1.00 0.00 C ATOM 550 O ASP A 568 2.080 3.876 10.396 1.00 0.00 O ATOM 551 CB ASP A 568 4.105 6.156 10.785 1.00 0.00 C ATOM 552 CG ASP A 568 4.873 5.763 12.032 1.00 0.00 C ATOM 553 OD1 ASP A 568 5.791 4.923 11.923 1.00 0.00 O ATOM 554 OD2 ASP A 568 4.555 6.294 13.117 1.00 0.00 O ATOM 0 H ASP A 568 2.466 5.443 8.461 1.00 0.00 H new ATOM 0 HA ASP A 568 5.098 4.725 9.528 1.00 0.00 H new ATOM 0 HB2 ASP A 568 4.558 7.046 10.348 1.00 0.00 H new ATOM 0 HB3 ASP A 568 3.084 6.420 11.059 1.00 0.00 H new ATOM 559 N ILE A 569 4.032 2.776 10.613 1.00 0.00 N ATOM 560 CA ILE A 569 3.417 1.566 11.143 1.00 0.00 C ATOM 561 C ILE A 569 3.194 1.675 12.647 1.00 0.00 C ATOM 562 O ILE A 569 4.118 1.485 13.438 1.00 0.00 O ATOM 563 CB ILE A 569 4.278 0.323 10.851 1.00 0.00 C ATOM 564 CG1 ILE A 569 4.473 0.152 9.343 1.00 0.00 C ATOM 565 CG2 ILE A 569 3.636 -0.919 11.452 1.00 0.00 C ATOM 566 CD1 ILE A 569 3.204 -0.220 8.609 1.00 0.00 C ATOM 0 H ILE A 569 5.047 2.729 10.523 1.00 0.00 H new ATOM 0 HA ILE A 569 2.454 1.457 10.643 1.00 0.00 H new ATOM 0 HB ILE A 569 5.257 0.461 11.311 1.00 0.00 H new ATOM 0 HG12 ILE A 569 4.865 1.081 8.928 1.00 0.00 H new ATOM 0 HG13 ILE A 569 5.224 -0.618 9.167 1.00 0.00 H new ATOM 0 HG21 ILE A 569 4.256 -1.789 11.237 1.00 0.00 H new ATOM 0 HG22 ILE A 569 3.545 -0.796 12.531 1.00 0.00 H new ATOM 0 HG23 ILE A 569 2.646 -1.063 11.019 1.00 0.00 H new ATOM 0 HD11 ILE A 569 3.416 -0.325 7.545 1.00 0.00 H new ATOM 0 HD12 ILE A 569 2.822 -1.164 8.998 1.00 0.00 H new ATOM 0 HD13 ILE A 569 2.457 0.561 8.755 1.00 0.00 H new ATOM 578 N LYS A 570 1.961 1.981 13.037 1.00 0.00 N ATOM 579 CA LYS A 570 1.614 2.112 14.447 1.00 0.00 C ATOM 580 C LYS A 570 2.122 0.917 15.246 1.00 0.00 C ATOM 581 O LYS A 570 1.639 -0.202 15.082 1.00 0.00 O ATOM 582 CB LYS A 570 0.098 2.241 14.610 1.00 0.00 C ATOM 583 CG LYS A 570 -0.457 3.566 14.117 1.00 0.00 C ATOM 584 CD LYS A 570 0.012 4.724 14.982 1.00 0.00 C ATOM 585 CE LYS A 570 -0.620 6.037 14.546 1.00 0.00 C ATOM 586 NZ LYS A 570 -0.166 6.447 13.188 1.00 0.00 N ATOM 0 H LYS A 570 1.185 2.143 12.395 1.00 0.00 H new ATOM 0 HA LYS A 570 2.093 3.013 14.831 1.00 0.00 H new ATOM 0 HB2 LYS A 570 -0.387 1.429 14.068 1.00 0.00 H new ATOM 0 HB3 LYS A 570 -0.157 2.119 15.663 1.00 0.00 H new ATOM 0 HG2 LYS A 570 -0.145 3.731 13.086 1.00 0.00 H new ATOM 0 HG3 LYS A 570 -1.546 3.528 14.118 1.00 0.00 H new ATOM 0 HD2 LYS A 570 -0.239 4.526 16.024 1.00 0.00 H new ATOM 0 HD3 LYS A 570 1.098 4.805 14.926 1.00 0.00 H new ATOM 0 HE2 LYS A 570 -1.705 5.937 14.551 1.00 0.00 H new ATOM 0 HE3 LYS A 570 -0.368 6.817 15.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 570 0.308 7.371 13.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 570 0.498 5.739 12.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 570 -0.987 6.518 12.554 1.00 0.00 H new ATOM 686 N LYS A 577 1.484 -4.037 15.314 1.00 0.00 N ATOM 687 CA LYS A 577 0.181 -4.688 15.369 1.00 0.00 C ATOM 688 C LYS A 577 -0.435 -4.793 13.978 1.00 0.00 C ATOM 689 O LYS A 577 -1.637 -5.011 13.835 1.00 0.00 O ATOM 690 CB LYS A 577 -0.759 -3.915 16.298 1.00 0.00 C ATOM 691 CG LYS A 577 -0.167 -3.637 17.668 1.00 0.00 C ATOM 692 CD LYS A 577 -0.052 -4.907 18.494 1.00 0.00 C ATOM 693 CE LYS A 577 -1.384 -5.285 19.124 1.00 0.00 C ATOM 694 NZ LYS A 577 -2.264 -6.010 18.166 1.00 0.00 N ATOM 0 HA LYS A 577 0.322 -5.695 15.761 1.00 0.00 H new ATOM 0 HB2 LYS A 577 -1.024 -2.968 15.827 1.00 0.00 H new ATOM 0 HB3 LYS A 577 -1.683 -4.481 16.419 1.00 0.00 H new ATOM 0 HG2 LYS A 577 0.818 -3.185 17.555 1.00 0.00 H new ATOM 0 HG3 LYS A 577 -0.790 -2.914 18.195 1.00 0.00 H new ATOM 0 HD2 LYS A 577 0.297 -5.723 17.862 1.00 0.00 H new ATOM 0 HD3 LYS A 577 0.695 -4.768 19.276 1.00 0.00 H new ATOM 0 HE2 LYS A 577 -1.207 -5.910 19.999 1.00 0.00 H new ATOM 0 HE3 LYS A 577 -1.890 -4.384 19.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 577 -2.676 -6.842 18.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 577 -3.027 -5.378 17.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 577 -1.705 -6.316 17.344 1.00 0.00 H new ATOM 708 N GLY A 578 0.399 -4.638 12.953 1.00 0.00 N ATOM 709 CA GLY A 578 -0.082 -4.720 11.587 1.00 0.00 C ATOM 710 C GLY A 578 -1.146 -3.683 11.283 1.00 0.00 C ATOM 711 O GLY A 578 -2.201 -4.008 10.738 1.00 0.00 O ATOM 0 H GLY A 578 1.399 -4.457 13.045 1.00 0.00 H new ATOM 0 HA2 GLY A 578 0.755 -4.588 10.902 1.00 0.00 H new ATOM 0 HA3 GLY A 578 -0.488 -5.716 11.407 1.00 0.00 H new ATOM 715 N CYS A 579 -0.869 -2.433 11.637 1.00 0.00 N ATOM 716 CA CYS A 579 -1.811 -1.345 11.401 1.00 0.00 C ATOM 717 C CYS A 579 -1.089 -0.003 11.345 1.00 0.00 C ATOM 718 O CYS A 579 -0.176 0.256 12.127 1.00 0.00 O ATOM 719 CB CYS A 579 -2.876 -1.318 12.498 1.00 0.00 C ATOM 720 SG CYS A 579 -3.421 -2.956 13.038 1.00 0.00 S ATOM 0 H CYS A 579 0.000 -2.148 12.088 1.00 0.00 H new ATOM 0 HA CYS A 579 -2.294 -1.518 10.439 1.00 0.00 H new ATOM 0 HB2 CYS A 579 -2.483 -0.776 13.358 1.00 0.00 H new ATOM 0 HB3 CYS A 579 -3.740 -0.760 12.137 1.00 0.00 H new ATOM 0 HG CYS A 579 -2.432 -3.575 13.612 1.00 0.00 H new ATOM 726 N GLY A 580 -1.504 0.848 10.411 1.00 0.00 N ATOM 727 CA GLY A 580 -0.884 2.152 10.268 1.00 0.00 C ATOM 728 C GLY A 580 -1.774 3.140 9.540 1.00 0.00 C ATOM 729 O GLY A 580 -2.995 2.982 9.509 1.00 0.00 O ATOM 0 H GLY A 580 -2.258 0.657 9.751 1.00 0.00 H new ATOM 0 HA2 GLY A 580 -0.641 2.545 11.255 1.00 0.00 H new ATOM 0 HA3 GLY A 580 0.056 2.047 9.726 1.00 0.00 H new ATOM 733 N VAL A 581 -1.163 4.165 8.954 1.00 0.00 N ATOM 734 CA VAL A 581 -1.909 5.184 8.224 1.00 0.00 C ATOM 735 C VAL A 581 -1.157 5.623 6.972 1.00 0.00 C ATOM 736 O VAL A 581 0.042 5.380 6.838 1.00 0.00 O ATOM 737 CB VAL A 581 -2.183 6.417 9.104 1.00 0.00 C ATOM 738 CG1 VAL A 581 -3.365 6.163 10.027 1.00 0.00 C ATOM 739 CG2 VAL A 581 -0.943 6.788 9.903 1.00 0.00 C ATOM 0 H VAL A 581 -0.154 4.312 8.970 1.00 0.00 H new ATOM 0 HA VAL A 581 -2.859 4.735 7.935 1.00 0.00 H new ATOM 0 HB VAL A 581 -2.433 7.256 8.455 1.00 0.00 H new ATOM 0 HG11 VAL A 581 -3.543 7.046 10.641 1.00 0.00 H new ATOM 0 HG12 VAL A 581 -4.253 5.950 9.431 1.00 0.00 H new ATOM 0 HG13 VAL A 581 -3.147 5.311 10.671 1.00 0.00 H new ATOM 0 HG21 VAL A 581 -1.155 7.662 10.519 1.00 0.00 H new ATOM 0 HG22 VAL A 581 -0.659 5.953 10.543 1.00 0.00 H new ATOM 0 HG23 VAL A 581 -0.125 7.016 9.220 1.00 0.00 H new ATOM 749 N VAL A 582 -1.870 6.272 6.058 1.00 0.00 N ATOM 750 CA VAL A 582 -1.271 6.747 4.817 1.00 0.00 C ATOM 751 C VAL A 582 -1.975 8.002 4.312 1.00 0.00 C ATOM 752 O VAL A 582 -3.204 8.070 4.285 1.00 0.00 O ATOM 753 CB VAL A 582 -1.321 5.668 3.719 1.00 0.00 C ATOM 754 CG1 VAL A 582 -0.834 6.231 2.393 1.00 0.00 C ATOM 755 CG2 VAL A 582 -0.497 4.455 4.128 1.00 0.00 C ATOM 0 H VAL A 582 -2.864 6.481 6.154 1.00 0.00 H new ATOM 0 HA VAL A 582 -0.230 6.981 5.039 1.00 0.00 H new ATOM 0 HB VAL A 582 -2.356 5.351 3.592 1.00 0.00 H new ATOM 0 HG11 VAL A 582 -0.877 5.454 1.630 1.00 0.00 H new ATOM 0 HG12 VAL A 582 -1.469 7.066 2.097 1.00 0.00 H new ATOM 0 HG13 VAL A 582 0.194 6.578 2.500 1.00 0.00 H new ATOM 0 HG21 VAL A 582 -0.543 3.702 3.341 1.00 0.00 H new ATOM 0 HG22 VAL A 582 0.539 4.755 4.283 1.00 0.00 H new ATOM 0 HG23 VAL A 582 -0.897 4.039 5.053 1.00 0.00 H new ATOM 765 N LYS A 583 -1.187 8.995 3.912 1.00 0.00 N ATOM 766 CA LYS A 583 -1.733 10.248 3.405 1.00 0.00 C ATOM 767 C LYS A 583 -1.394 10.433 1.929 1.00 0.00 C ATOM 768 O LYS A 583 -0.462 9.815 1.414 1.00 0.00 O ATOM 769 CB LYS A 583 -1.191 11.429 4.215 1.00 0.00 C ATOM 770 CG LYS A 583 -2.065 11.806 5.398 1.00 0.00 C ATOM 771 CD LYS A 583 -1.761 10.946 6.613 1.00 0.00 C ATOM 772 CE LYS A 583 -2.354 11.542 7.881 1.00 0.00 C ATOM 773 NZ LYS A 583 -1.446 12.548 8.498 1.00 0.00 N ATOM 0 H LYS A 583 -0.168 8.956 3.929 1.00 0.00 H new ATOM 0 HA LYS A 583 -2.817 10.210 3.508 1.00 0.00 H new ATOM 0 HB2 LYS A 583 -0.192 11.184 4.575 1.00 0.00 H new ATOM 0 HB3 LYS A 583 -1.090 12.293 3.559 1.00 0.00 H new ATOM 0 HG2 LYS A 583 -1.910 12.856 5.646 1.00 0.00 H new ATOM 0 HG3 LYS A 583 -3.115 11.695 5.126 1.00 0.00 H new ATOM 0 HD2 LYS A 583 -2.161 9.944 6.460 1.00 0.00 H new ATOM 0 HD3 LYS A 583 -0.682 10.845 6.728 1.00 0.00 H new ATOM 0 HE2 LYS A 583 -3.311 12.010 7.649 1.00 0.00 H new ATOM 0 HE3 LYS A 583 -2.554 10.745 8.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 583 -1.886 12.931 9.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 583 -0.542 12.096 8.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 583 -1.275 13.321 7.824 1.00 0.00 H new ATOM 787 N PHE A 584 -2.156 11.286 1.254 1.00 0.00 N ATOM 788 CA PHE A 584 -1.936 11.552 -0.163 1.00 0.00 C ATOM 789 C PHE A 584 -1.979 13.050 -0.448 1.00 0.00 C ATOM 790 O PHE A 584 -2.351 13.846 0.414 1.00 0.00 O ATOM 791 CB PHE A 584 -2.987 10.830 -1.008 1.00 0.00 C ATOM 792 CG PHE A 584 -2.902 9.333 -0.921 1.00 0.00 C ATOM 793 CD1 PHE A 584 -3.577 8.644 0.073 1.00 0.00 C ATOM 794 CD2 PHE A 584 -2.146 8.615 -1.834 1.00 0.00 C ATOM 795 CE1 PHE A 584 -3.500 7.267 0.156 1.00 0.00 C ATOM 796 CE2 PHE A 584 -2.065 7.237 -1.756 1.00 0.00 C ATOM 797 CZ PHE A 584 -2.743 6.562 -0.760 1.00 0.00 C ATOM 0 H PHE A 584 -2.932 11.805 1.665 1.00 0.00 H new ATOM 0 HA PHE A 584 -0.947 11.178 -0.428 1.00 0.00 H new ATOM 0 HB2 PHE A 584 -3.979 11.149 -0.689 1.00 0.00 H new ATOM 0 HB3 PHE A 584 -2.875 11.132 -2.049 1.00 0.00 H new ATOM 0 HD1 PHE A 584 -4.171 9.190 0.792 1.00 0.00 H new ATOM 0 HD2 PHE A 584 -1.614 9.138 -2.615 1.00 0.00 H new ATOM 0 HE1 PHE A 584 -4.031 6.742 0.936 1.00 0.00 H new ATOM 0 HE2 PHE A 584 -1.472 6.689 -2.473 1.00 0.00 H new ATOM 0 HZ PHE A 584 -2.682 5.486 -0.697 1.00 0.00 H new ATOM 807 N GLU A 585 -1.596 13.426 -1.664 1.00 0.00 N ATOM 808 CA GLU A 585 -1.590 14.829 -2.063 1.00 0.00 C ATOM 809 C GLU A 585 -3.013 15.370 -2.173 1.00 0.00 C ATOM 810 O GLU A 585 -3.311 16.464 -1.694 1.00 0.00 O ATOM 811 CB GLU A 585 -0.863 14.999 -3.399 1.00 0.00 C ATOM 812 CG GLU A 585 0.640 15.168 -3.257 1.00 0.00 C ATOM 813 CD GLU A 585 1.275 15.795 -4.483 1.00 0.00 C ATOM 814 OE1 GLU A 585 0.720 16.789 -4.995 1.00 0.00 O ATOM 815 OE2 GLU A 585 2.327 15.291 -4.930 1.00 0.00 O ATOM 0 H GLU A 585 -1.286 12.780 -2.390 1.00 0.00 H new ATOM 0 HA GLU A 585 -1.063 15.396 -1.296 1.00 0.00 H new ATOM 0 HB2 GLU A 585 -1.065 14.130 -4.026 1.00 0.00 H new ATOM 0 HB3 GLU A 585 -1.270 15.867 -3.917 1.00 0.00 H new ATOM 0 HG2 GLU A 585 0.851 15.788 -2.386 1.00 0.00 H new ATOM 0 HG3 GLU A 585 1.096 14.195 -3.074 1.00 0.00 H new ATOM 822 N SER A 586 -3.887 14.595 -2.807 1.00 0.00 N ATOM 823 CA SER A 586 -5.277 14.998 -2.984 1.00 0.00 C ATOM 824 C SER A 586 -6.212 14.082 -2.200 1.00 0.00 C ATOM 825 O SER A 586 -5.867 12.953 -1.850 1.00 0.00 O ATOM 826 CB SER A 586 -5.651 14.977 -4.468 1.00 0.00 C ATOM 827 OG SER A 586 -5.256 16.177 -5.110 1.00 0.00 O ATOM 0 H SER A 586 -3.657 13.685 -3.206 1.00 0.00 H new ATOM 0 HA SER A 586 -5.387 16.013 -2.603 1.00 0.00 H new ATOM 0 HB2 SER A 586 -5.174 14.126 -4.955 1.00 0.00 H new ATOM 0 HB3 SER A 586 -6.727 14.842 -4.573 1.00 0.00 H new ATOM 0 HG SER A 586 -5.504 16.138 -6.057 1.00 0.00 H new ATOM 833 N PRO A 587 -7.425 14.579 -1.916 1.00 0.00 N ATOM 834 CA PRO A 587 -8.435 13.823 -1.171 1.00 0.00 C ATOM 835 C PRO A 587 -8.994 12.653 -1.974 1.00 0.00 C ATOM 836 O PRO A 587 -9.251 11.581 -1.428 1.00 0.00 O ATOM 837 CB PRO A 587 -9.530 14.860 -0.905 1.00 0.00 C ATOM 838 CG PRO A 587 -9.375 15.862 -1.996 1.00 0.00 C ATOM 839 CD PRO A 587 -7.904 15.917 -2.303 1.00 0.00 C ATOM 0 HA PRO A 587 -8.023 13.376 -0.266 1.00 0.00 H new ATOM 0 HB2 PRO A 587 -10.520 14.404 -0.924 1.00 0.00 H new ATOM 0 HB3 PRO A 587 -9.410 15.320 0.076 1.00 0.00 H new ATOM 0 HG2 PRO A 587 -9.947 15.571 -2.877 1.00 0.00 H new ATOM 0 HG3 PRO A 587 -9.745 16.839 -1.684 1.00 0.00 H new ATOM 0 HD2 PRO A 587 -7.721 16.120 -3.358 1.00 0.00 H new ATOM 0 HD3 PRO A 587 -7.404 16.702 -1.736 1.00 0.00 H new ATOM 847 N GLU A 588 -9.179 12.868 -3.273 1.00 0.00 N ATOM 848 CA GLU A 588 -9.708 11.830 -4.150 1.00 0.00 C ATOM 849 C GLU A 588 -8.804 10.601 -4.145 1.00 0.00 C ATOM 850 O GLU A 588 -9.281 9.466 -4.153 1.00 0.00 O ATOM 851 CB GLU A 588 -9.855 12.363 -5.577 1.00 0.00 C ATOM 852 CG GLU A 588 -10.379 11.331 -6.561 1.00 0.00 C ATOM 853 CD GLU A 588 -10.831 11.951 -7.870 1.00 0.00 C ATOM 854 OE1 GLU A 588 -10.112 12.828 -8.391 1.00 0.00 O ATOM 855 OE2 GLU A 588 -11.905 11.557 -8.372 1.00 0.00 O ATOM 0 H GLU A 588 -8.971 13.750 -3.741 1.00 0.00 H new ATOM 0 HA GLU A 588 -10.690 11.539 -3.776 1.00 0.00 H new ATOM 0 HB2 GLU A 588 -10.529 13.219 -5.568 1.00 0.00 H new ATOM 0 HB3 GLU A 588 -8.886 12.723 -5.923 1.00 0.00 H new ATOM 0 HG2 GLU A 588 -9.599 10.596 -6.761 1.00 0.00 H new ATOM 0 HG3 GLU A 588 -11.214 10.795 -6.110 1.00 0.00 H new ATOM 862 N VAL A 589 -7.496 10.836 -4.133 1.00 0.00 N ATOM 863 CA VAL A 589 -6.524 9.749 -4.127 1.00 0.00 C ATOM 864 C VAL A 589 -6.563 8.984 -2.808 1.00 0.00 C ATOM 865 O VAL A 589 -6.323 7.778 -2.772 1.00 0.00 O ATOM 866 CB VAL A 589 -5.095 10.273 -4.361 1.00 0.00 C ATOM 867 CG1 VAL A 589 -4.120 9.115 -4.514 1.00 0.00 C ATOM 868 CG2 VAL A 589 -5.053 11.181 -5.581 1.00 0.00 C ATOM 0 H VAL A 589 -7.085 11.769 -4.127 1.00 0.00 H new ATOM 0 HA VAL A 589 -6.795 9.077 -4.942 1.00 0.00 H new ATOM 0 HB VAL A 589 -4.794 10.858 -3.492 1.00 0.00 H new ATOM 0 HG11 VAL A 589 -3.115 9.505 -4.679 1.00 0.00 H new ATOM 0 HG12 VAL A 589 -4.130 8.509 -3.608 1.00 0.00 H new ATOM 0 HG13 VAL A 589 -4.415 8.501 -5.365 1.00 0.00 H new ATOM 0 HG21 VAL A 589 -4.036 11.542 -5.731 1.00 0.00 H new ATOM 0 HG22 VAL A 589 -5.374 10.623 -6.461 1.00 0.00 H new ATOM 0 HG23 VAL A 589 -5.720 12.029 -5.426 1.00 0.00 H new ATOM 878 N ALA A 590 -6.869 9.694 -1.728 1.00 0.00 N ATOM 879 CA ALA A 590 -6.943 9.082 -0.407 1.00 0.00 C ATOM 880 C ALA A 590 -7.998 7.982 -0.370 1.00 0.00 C ATOM 881 O ALA A 590 -7.707 6.842 -0.010 1.00 0.00 O ATOM 882 CB ALA A 590 -7.241 10.137 0.648 1.00 0.00 C ATOM 0 H ALA A 590 -7.070 10.694 -1.741 1.00 0.00 H new ATOM 0 HA ALA A 590 -5.976 8.629 -0.189 1.00 0.00 H new ATOM 0 HB1 ALA A 590 -7.293 9.666 1.629 1.00 0.00 H new ATOM 0 HB2 ALA A 590 -6.449 10.886 0.647 1.00 0.00 H new ATOM 0 HB3 ALA A 590 -8.194 10.616 0.424 1.00 0.00 H new ATOM 888 N GLU A 591 -9.225 8.332 -0.745 1.00 0.00 N ATOM 889 CA GLU A 591 -10.324 7.373 -0.752 1.00 0.00 C ATOM 890 C GLU A 591 -10.159 6.366 -1.887 1.00 0.00 C ATOM 891 O GLU A 591 -10.659 5.243 -1.812 1.00 0.00 O ATOM 892 CB GLU A 591 -11.663 8.099 -0.891 1.00 0.00 C ATOM 893 CG GLU A 591 -12.078 8.341 -2.333 1.00 0.00 C ATOM 894 CD GLU A 591 -13.068 9.481 -2.472 1.00 0.00 C ATOM 895 OE1 GLU A 591 -12.640 10.651 -2.383 1.00 0.00 O ATOM 896 OE2 GLU A 591 -14.269 9.204 -2.670 1.00 0.00 O ATOM 0 H GLU A 591 -9.483 9.271 -1.048 1.00 0.00 H new ATOM 0 HA GLU A 591 -10.308 6.834 0.195 1.00 0.00 H new ATOM 0 HB2 GLU A 591 -12.437 7.515 -0.392 1.00 0.00 H new ATOM 0 HB3 GLU A 591 -11.603 9.056 -0.374 1.00 0.00 H new ATOM 0 HG2 GLU A 591 -11.193 8.559 -2.930 1.00 0.00 H new ATOM 0 HG3 GLU A 591 -12.519 7.430 -2.738 1.00 0.00 H new ATOM 903 N ARG A 592 -9.454 6.776 -2.936 1.00 0.00 N ATOM 904 CA ARG A 592 -9.225 5.911 -4.088 1.00 0.00 C ATOM 905 C ARG A 592 -8.493 4.637 -3.673 1.00 0.00 C ATOM 906 O ARG A 592 -8.826 3.543 -4.128 1.00 0.00 O ATOM 907 CB ARG A 592 -8.417 6.651 -5.155 1.00 0.00 C ATOM 908 CG ARG A 592 -8.000 5.771 -6.322 1.00 0.00 C ATOM 909 CD ARG A 592 -6.946 6.450 -7.183 1.00 0.00 C ATOM 910 NE ARG A 592 -7.535 7.398 -8.124 1.00 0.00 N ATOM 911 CZ ARG A 592 -6.823 8.122 -8.981 1.00 0.00 C ATOM 912 NH1 ARG A 592 -5.503 8.006 -9.015 1.00 0.00 N ATOM 913 NH2 ARG A 592 -7.432 8.964 -9.807 1.00 0.00 N ATOM 0 H ARG A 592 -9.031 7.701 -3.012 1.00 0.00 H new ATOM 0 HA ARG A 592 -10.194 5.635 -4.503 1.00 0.00 H new ATOM 0 HB2 ARG A 592 -9.008 7.485 -5.533 1.00 0.00 H new ATOM 0 HB3 ARG A 592 -7.525 7.075 -4.694 1.00 0.00 H new ATOM 0 HG2 ARG A 592 -7.610 4.826 -5.945 1.00 0.00 H new ATOM 0 HG3 ARG A 592 -8.873 5.535 -6.931 1.00 0.00 H new ATOM 0 HD2 ARG A 592 -6.235 6.970 -6.542 1.00 0.00 H new ATOM 0 HD3 ARG A 592 -6.386 5.694 -7.733 1.00 0.00 H new ATOM 0 HE ARG A 592 -8.549 7.511 -8.124 1.00 0.00 H new ATOM 0 HH11 ARG A 592 -5.031 7.360 -8.382 1.00 0.00 H new ATOM 0 HH12 ARG A 592 -4.959 8.563 -9.674 1.00 0.00 H new ATOM 0 HH21 ARG A 592 -8.448 9.056 -9.784 1.00 0.00 H new ATOM 0 HH22 ARG A 592 -6.884 9.519 -10.464 1.00 0.00 H new ATOM 927 N ALA A 593 -7.496 4.789 -2.809 1.00 0.00 N ATOM 928 CA ALA A 593 -6.719 3.651 -2.332 1.00 0.00 C ATOM 929 C ALA A 593 -7.551 2.765 -1.412 1.00 0.00 C ATOM 930 O ALA A 593 -7.280 1.571 -1.273 1.00 0.00 O ATOM 931 CB ALA A 593 -5.466 4.131 -1.614 1.00 0.00 C ATOM 0 H ALA A 593 -7.207 5.688 -2.425 1.00 0.00 H new ATOM 0 HA ALA A 593 -6.424 3.056 -3.197 1.00 0.00 H new ATOM 0 HB1 ALA A 593 -4.896 3.271 -1.263 1.00 0.00 H new ATOM 0 HB2 ALA A 593 -4.855 4.716 -2.301 1.00 0.00 H new ATOM 0 HB3 ALA A 593 -5.749 4.750 -0.763 1.00 0.00 H new ATOM 937 N CYS A 594 -8.563 3.354 -0.787 1.00 0.00 N ATOM 938 CA CYS A 594 -9.435 2.617 0.122 1.00 0.00 C ATOM 939 C CYS A 594 -10.311 1.633 -0.645 1.00 0.00 C ATOM 940 O CYS A 594 -10.810 0.660 -0.079 1.00 0.00 O ATOM 941 CB CYS A 594 -10.311 3.585 0.919 1.00 0.00 C ATOM 942 SG CYS A 594 -9.384 4.700 2.000 1.00 0.00 S ATOM 0 H CYS A 594 -8.801 4.340 -0.892 1.00 0.00 H new ATOM 0 HA CYS A 594 -8.807 2.055 0.813 1.00 0.00 H new ATOM 0 HB2 CYS A 594 -10.903 4.180 0.223 1.00 0.00 H new ATOM 0 HB3 CYS A 594 -11.012 3.010 1.524 1.00 0.00 H new ATOM 0 HG CYS A 594 -8.783 5.601 1.281 1.00 0.00 H new ATOM 948 N ARG A 595 -10.496 1.893 -1.935 1.00 0.00 N ATOM 949 CA ARG A 595 -11.315 1.031 -2.779 1.00 0.00 C ATOM 950 C ARG A 595 -10.457 -0.020 -3.477 1.00 0.00 C ATOM 951 O ARG A 595 -10.870 -1.169 -3.634 1.00 0.00 O ATOM 952 CB ARG A 595 -12.066 1.864 -3.818 1.00 0.00 C ATOM 953 CG ARG A 595 -13.106 2.796 -3.216 1.00 0.00 C ATOM 954 CD ARG A 595 -13.692 3.728 -4.265 1.00 0.00 C ATOM 955 NE ARG A 595 -14.608 3.032 -5.165 1.00 0.00 N ATOM 956 CZ ARG A 595 -15.774 2.527 -4.780 1.00 0.00 C ATOM 957 NH1 ARG A 595 -16.165 2.639 -3.518 1.00 0.00 N ATOM 958 NH2 ARG A 595 -16.553 1.907 -5.658 1.00 0.00 N ATOM 0 H ARG A 595 -10.090 2.694 -2.419 1.00 0.00 H new ATOM 0 HA ARG A 595 -12.037 0.521 -2.142 1.00 0.00 H new ATOM 0 HB2 ARG A 595 -11.347 2.454 -4.386 1.00 0.00 H new ATOM 0 HB3 ARG A 595 -12.557 1.193 -4.523 1.00 0.00 H new ATOM 0 HG2 ARG A 595 -13.904 2.208 -2.763 1.00 0.00 H new ATOM 0 HG3 ARG A 595 -12.651 3.384 -2.419 1.00 0.00 H new ATOM 0 HD2 ARG A 595 -14.219 4.544 -3.771 1.00 0.00 H new ATOM 0 HD3 ARG A 595 -12.884 4.175 -4.844 1.00 0.00 H new ATOM 0 HE ARG A 595 -14.337 2.928 -6.143 1.00 0.00 H new ATOM 0 HH11 ARG A 595 -15.569 3.114 -2.840 1.00 0.00 H new ATOM 0 HH12 ARG A 595 -17.061 2.250 -3.225 1.00 0.00 H new ATOM 0 HH21 ARG A 595 -16.256 1.818 -6.630 1.00 0.00 H new ATOM 0 HH22 ARG A 595 -17.449 1.519 -5.361 1.00 0.00 H new ATOM 972 N MET A 596 -9.261 0.382 -3.896 1.00 0.00 N ATOM 973 CA MET A 596 -8.345 -0.525 -4.577 1.00 0.00 C ATOM 974 C MET A 596 -7.637 -1.434 -3.578 1.00 0.00 C ATOM 975 O MET A 596 -7.603 -2.652 -3.749 1.00 0.00 O ATOM 976 CB MET A 596 -7.314 0.267 -5.383 1.00 0.00 C ATOM 977 CG MET A 596 -7.933 1.207 -6.405 1.00 0.00 C ATOM 978 SD MET A 596 -6.880 1.455 -7.847 1.00 0.00 S ATOM 979 CE MET A 596 -5.986 2.930 -7.365 1.00 0.00 C ATOM 0 H MET A 596 -8.904 1.330 -3.776 1.00 0.00 H new ATOM 0 HA MET A 596 -8.928 -1.146 -5.257 1.00 0.00 H new ATOM 0 HB2 MET A 596 -6.695 0.846 -4.697 1.00 0.00 H new ATOM 0 HB3 MET A 596 -6.653 -0.431 -5.897 1.00 0.00 H new ATOM 0 HG2 MET A 596 -8.894 0.806 -6.726 1.00 0.00 H new ATOM 0 HG3 MET A 596 -8.131 2.170 -5.934 1.00 0.00 H new ATOM 0 HE1 MET A 596 -6.288 3.762 -8.001 1.00 0.00 H new ATOM 0 HE2 MET A 596 -6.210 3.168 -6.325 1.00 0.00 H new ATOM 0 HE3 MET A 596 -4.915 2.759 -7.475 1.00 0.00 H new ATOM 989 N MET A 597 -7.073 -0.834 -2.535 1.00 0.00 N ATOM 990 CA MET A 597 -6.366 -1.591 -1.508 1.00 0.00 C ATOM 991 C MET A 597 -7.332 -2.467 -0.717 1.00 0.00 C ATOM 992 O MET A 597 -7.299 -3.693 -0.820 1.00 0.00 O ATOM 993 CB MET A 597 -5.628 -0.642 -0.561 1.00 0.00 C ATOM 994 CG MET A 597 -4.638 0.270 -1.266 1.00 0.00 C ATOM 995 SD MET A 597 -3.716 -0.576 -2.564 1.00 0.00 S ATOM 996 CE MET A 597 -2.037 -0.372 -1.975 1.00 0.00 C ATOM 0 H MET A 597 -7.092 0.174 -2.379 1.00 0.00 H new ATOM 0 HA MET A 597 -5.640 -2.236 -2.003 1.00 0.00 H new ATOM 0 HB2 MET A 597 -6.358 -0.031 -0.030 1.00 0.00 H new ATOM 0 HB3 MET A 597 -5.098 -1.229 0.189 1.00 0.00 H new ATOM 0 HG2 MET A 597 -5.173 1.116 -1.698 1.00 0.00 H new ATOM 0 HG3 MET A 597 -3.939 0.675 -0.534 1.00 0.00 H new ATOM 0 HE1 MET A 597 -1.475 0.237 -2.683 1.00 0.00 H new ATOM 0 HE2 MET A 597 -2.050 0.120 -1.002 1.00 0.00 H new ATOM 0 HE3 MET A 597 -1.563 -1.349 -1.881 1.00 0.00 H new ATOM 1006 N ASN A 598 -8.192 -1.830 0.072 1.00 0.00 N ATOM 1007 CA ASN A 598 -9.167 -2.552 0.881 1.00 0.00 C ATOM 1008 C ASN A 598 -9.668 -3.794 0.149 1.00 0.00 C ATOM 1009 O ASN A 598 -10.578 -3.716 -0.675 1.00 0.00 O ATOM 1010 CB ASN A 598 -10.346 -1.642 1.230 1.00 0.00 C ATOM 1011 CG ASN A 598 -11.220 -2.222 2.325 1.00 0.00 C ATOM 1012 OD1 ASN A 598 -11.151 -1.798 3.479 1.00 0.00 O ATOM 1013 ND2 ASN A 598 -12.048 -3.196 1.967 1.00 0.00 N ATOM 0 H ASN A 598 -8.233 -0.815 0.168 1.00 0.00 H new ATOM 0 HA ASN A 598 -8.676 -2.867 1.801 1.00 0.00 H new ATOM 0 HB2 ASN A 598 -9.969 -0.669 1.547 1.00 0.00 H new ATOM 0 HB3 ASN A 598 -10.949 -1.475 0.338 1.00 0.00 H new ATOM 0 HD21 ASN A 598 -12.661 -3.625 2.660 1.00 0.00 H new ATOM 0 HD22 ASN A 598 -12.071 -3.515 0.999 1.00 0.00 H new ATOM 1020 N GLY A 599 -9.067 -4.939 0.457 1.00 0.00 N ATOM 1021 CA GLY A 599 -9.466 -6.181 -0.179 1.00 0.00 C ATOM 1022 C GLY A 599 -8.290 -6.932 -0.772 1.00 0.00 C ATOM 1023 O GLY A 599 -8.468 -7.958 -1.428 1.00 0.00 O ATOM 0 H GLY A 599 -8.311 -5.029 1.136 1.00 0.00 H new ATOM 0 HA2 GLY A 599 -9.967 -6.815 0.552 1.00 0.00 H new ATOM 0 HA3 GLY A 599 -10.190 -5.967 -0.965 1.00 0.00 H new ATOM 1027 N MET A 600 -7.086 -6.420 -0.542 1.00 0.00 N ATOM 1028 CA MET A 600 -5.876 -7.050 -1.059 1.00 0.00 C ATOM 1029 C MET A 600 -5.185 -7.870 0.025 1.00 0.00 C ATOM 1030 O MET A 600 -4.729 -7.329 1.033 1.00 0.00 O ATOM 1031 CB MET A 600 -4.916 -5.990 -1.603 1.00 0.00 C ATOM 1032 CG MET A 600 -4.476 -4.975 -0.559 1.00 0.00 C ATOM 1033 SD MET A 600 -3.519 -3.621 -1.267 1.00 0.00 S ATOM 1034 CE MET A 600 -2.680 -3.002 0.189 1.00 0.00 C ATOM 0 H MET A 600 -6.922 -5.571 -0.001 1.00 0.00 H new ATOM 0 HA MET A 600 -6.163 -7.720 -1.869 1.00 0.00 H new ATOM 0 HB2 MET A 600 -4.035 -6.485 -2.011 1.00 0.00 H new ATOM 0 HB3 MET A 600 -5.397 -5.465 -2.428 1.00 0.00 H new ATOM 0 HG2 MET A 600 -5.355 -4.570 -0.058 1.00 0.00 H new ATOM 0 HG3 MET A 600 -3.879 -5.478 0.202 1.00 0.00 H new ATOM 0 HE1 MET A 600 -1.711 -2.593 -0.096 1.00 0.00 H new ATOM 0 HE2 MET A 600 -3.282 -2.220 0.651 1.00 0.00 H new ATOM 0 HE3 MET A 600 -2.536 -3.816 0.899 1.00 0.00 H new ATOM 1044 N LYS A 601 -5.110 -9.180 -0.188 1.00 0.00 N ATOM 1045 CA LYS A 601 -4.473 -10.076 0.770 1.00 0.00 C ATOM 1046 C LYS A 601 -2.957 -10.060 0.605 1.00 0.00 C ATOM 1047 O LYS A 601 -2.420 -10.635 -0.343 1.00 0.00 O ATOM 1048 CB LYS A 601 -5.002 -11.502 0.595 1.00 0.00 C ATOM 1049 CG LYS A 601 -6.468 -11.656 0.959 1.00 0.00 C ATOM 1050 CD LYS A 601 -6.823 -13.106 1.241 1.00 0.00 C ATOM 1051 CE LYS A 601 -8.143 -13.222 1.988 1.00 0.00 C ATOM 1052 NZ LYS A 601 -9.305 -13.258 1.058 1.00 0.00 N ATOM 0 H LYS A 601 -5.483 -9.645 -1.016 1.00 0.00 H new ATOM 0 HA LYS A 601 -4.715 -9.726 1.774 1.00 0.00 H new ATOM 0 HB2 LYS A 601 -4.860 -11.809 -0.441 1.00 0.00 H new ATOM 0 HB3 LYS A 601 -4.410 -12.178 1.212 1.00 0.00 H new ATOM 0 HG2 LYS A 601 -6.692 -11.048 1.836 1.00 0.00 H new ATOM 0 HG3 LYS A 601 -7.087 -11.281 0.145 1.00 0.00 H new ATOM 0 HD2 LYS A 601 -6.886 -13.656 0.302 1.00 0.00 H new ATOM 0 HD3 LYS A 601 -6.030 -13.568 1.828 1.00 0.00 H new ATOM 0 HE2 LYS A 601 -8.137 -14.126 2.597 1.00 0.00 H new ATOM 0 HE3 LYS A 601 -8.250 -12.378 2.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 601 -10.186 -13.337 1.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 601 -9.326 -12.384 0.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 601 -9.217 -14.077 0.424 1.00 0.00 H new ATOM 1066 N LEU A 602 -2.272 -9.402 1.533 1.00 0.00 N ATOM 1067 CA LEU A 602 -0.817 -9.313 1.492 1.00 0.00 C ATOM 1068 C LEU A 602 -0.178 -10.567 2.079 1.00 0.00 C ATOM 1069 O LEU A 602 -0.235 -10.798 3.287 1.00 0.00 O ATOM 1070 CB LEU A 602 -0.339 -8.077 2.257 1.00 0.00 C ATOM 1071 CG LEU A 602 -1.091 -6.777 1.968 1.00 0.00 C ATOM 1072 CD1 LEU A 602 -0.507 -5.632 2.780 1.00 0.00 C ATOM 1073 CD2 LEU A 602 -1.048 -6.455 0.481 1.00 0.00 C ATOM 0 H LEU A 602 -2.701 -8.922 2.324 1.00 0.00 H new ATOM 0 HA LEU A 602 -0.513 -9.227 0.449 1.00 0.00 H new ATOM 0 HB2 LEU A 602 -0.410 -8.285 3.325 1.00 0.00 H new ATOM 0 HB3 LEU A 602 0.716 -7.921 2.032 1.00 0.00 H new ATOM 0 HG LEU A 602 -2.133 -6.909 2.261 1.00 0.00 H new ATOM 0 HD11 LEU A 602 -1.054 -4.715 2.562 1.00 0.00 H new ATOM 0 HD12 LEU A 602 -0.590 -5.860 3.843 1.00 0.00 H new ATOM 0 HD13 LEU A 602 0.543 -5.499 2.519 1.00 0.00 H new ATOM 0 HD21 LEU A 602 -1.588 -5.527 0.294 1.00 0.00 H new ATOM 0 HD22 LEU A 602 -0.012 -6.342 0.163 1.00 0.00 H new ATOM 0 HD23 LEU A 602 -1.514 -7.265 -0.080 1.00 0.00 H new ATOM 1085 N SER A 603 0.433 -11.373 1.216 1.00 0.00 N ATOM 1086 CA SER A 603 1.082 -12.605 1.649 1.00 0.00 C ATOM 1087 C SER A 603 0.080 -13.542 2.317 1.00 0.00 C ATOM 1088 O SER A 603 0.445 -14.365 3.154 1.00 0.00 O ATOM 1089 CB SER A 603 2.226 -12.291 2.616 1.00 0.00 C ATOM 1090 OG SER A 603 3.251 -13.266 2.527 1.00 0.00 O ATOM 0 H SER A 603 0.492 -11.195 0.213 1.00 0.00 H new ATOM 0 HA SER A 603 1.486 -13.102 0.767 1.00 0.00 H new ATOM 0 HB2 SER A 603 2.636 -11.306 2.392 1.00 0.00 H new ATOM 0 HB3 SER A 603 1.844 -12.252 3.636 1.00 0.00 H new ATOM 0 HG SER A 603 3.971 -13.042 3.153 1.00 0.00 H new ATOM 1096 N GLY A 604 -1.188 -13.409 1.938 1.00 0.00 N ATOM 1097 CA GLY A 604 -2.224 -14.249 2.508 1.00 0.00 C ATOM 1098 C GLY A 604 -2.888 -13.613 3.714 1.00 0.00 C ATOM 1099 O GLY A 604 -3.508 -14.301 4.525 1.00 0.00 O ATOM 0 H GLY A 604 -1.515 -12.734 1.246 1.00 0.00 H new ATOM 0 HA2 GLY A 604 -2.978 -14.456 1.749 1.00 0.00 H new ATOM 0 HA3 GLY A 604 -1.792 -15.207 2.798 1.00 0.00 H new ATOM 1103 N ARG A 605 -2.756 -12.295 3.833 1.00 0.00 N ATOM 1104 CA ARG A 605 -3.346 -11.567 4.950 1.00 0.00 C ATOM 1105 C ARG A 605 -4.296 -10.482 4.451 1.00 0.00 C ATOM 1106 O ARG A 605 -3.878 -9.540 3.779 1.00 0.00 O ATOM 1107 CB ARG A 605 -2.249 -10.941 5.814 1.00 0.00 C ATOM 1108 CG ARG A 605 -1.402 -11.962 6.556 1.00 0.00 C ATOM 1109 CD ARG A 605 -0.880 -11.403 7.871 1.00 0.00 C ATOM 1110 NE ARG A 605 -0.314 -12.445 8.722 1.00 0.00 N ATOM 1111 CZ ARG A 605 0.839 -13.054 8.470 1.00 0.00 C ATOM 1112 NH1 ARG A 605 1.544 -12.727 7.395 1.00 0.00 N ATOM 1113 NH2 ARG A 605 1.289 -13.993 9.292 1.00 0.00 N ATOM 0 H ARG A 605 -2.246 -11.711 3.170 1.00 0.00 H new ATOM 0 HA ARG A 605 -3.915 -12.275 5.553 1.00 0.00 H new ATOM 0 HB2 ARG A 605 -1.601 -10.335 5.181 1.00 0.00 H new ATOM 0 HB3 ARG A 605 -2.708 -10.267 6.538 1.00 0.00 H new ATOM 0 HG2 ARG A 605 -1.994 -12.856 6.749 1.00 0.00 H new ATOM 0 HG3 ARG A 605 -0.563 -12.265 5.929 1.00 0.00 H new ATOM 0 HD2 ARG A 605 -0.120 -10.648 7.668 1.00 0.00 H new ATOM 0 HD3 ARG A 605 -1.692 -10.904 8.400 1.00 0.00 H new ATOM 0 HE ARG A 605 -0.832 -12.721 9.556 1.00 0.00 H new ATOM 0 HH11 ARG A 605 1.201 -12.006 6.760 1.00 0.00 H new ATOM 0 HH12 ARG A 605 2.429 -13.196 7.204 1.00 0.00 H new ATOM 0 HH21 ARG A 605 0.749 -14.248 10.119 1.00 0.00 H new ATOM 0 HH22 ARG A 605 2.175 -14.460 9.097 1.00 0.00 H new ATOM 1127 N GLU A 606 -5.575 -10.624 4.784 1.00 0.00 N ATOM 1128 CA GLU A 606 -6.583 -9.656 4.368 1.00 0.00 C ATOM 1129 C GLU A 606 -6.462 -8.364 5.170 1.00 0.00 C ATOM 1130 O GLU A 606 -6.141 -8.387 6.359 1.00 0.00 O ATOM 1131 CB GLU A 606 -7.986 -10.244 4.536 1.00 0.00 C ATOM 1132 CG GLU A 606 -8.981 -9.751 3.499 1.00 0.00 C ATOM 1133 CD GLU A 606 -10.401 -9.707 4.028 1.00 0.00 C ATOM 1134 OE1 GLU A 606 -10.644 -8.981 5.015 1.00 0.00 O ATOM 1135 OE2 GLU A 606 -11.270 -10.398 3.455 1.00 0.00 O ATOM 0 H GLU A 606 -5.937 -11.399 5.340 1.00 0.00 H new ATOM 0 HA GLU A 606 -6.416 -9.426 3.316 1.00 0.00 H new ATOM 0 HB2 GLU A 606 -7.924 -11.331 4.480 1.00 0.00 H new ATOM 0 HB3 GLU A 606 -8.358 -9.997 5.530 1.00 0.00 H new ATOM 0 HG2 GLU A 606 -8.690 -8.755 3.167 1.00 0.00 H new ATOM 0 HG3 GLU A 606 -8.943 -10.402 2.626 1.00 0.00 H new ATOM 1142 N ILE A 607 -6.719 -7.239 4.512 1.00 0.00 N ATOM 1143 CA ILE A 607 -6.639 -5.938 5.163 1.00 0.00 C ATOM 1144 C ILE A 607 -7.874 -5.095 4.862 1.00 0.00 C ATOM 1145 O ILE A 607 -8.536 -5.288 3.842 1.00 0.00 O ATOM 1146 CB ILE A 607 -5.383 -5.164 4.722 1.00 0.00 C ATOM 1147 CG1 ILE A 607 -5.270 -5.158 3.196 1.00 0.00 C ATOM 1148 CG2 ILE A 607 -4.138 -5.774 5.348 1.00 0.00 C ATOM 1149 CD1 ILE A 607 -3.996 -4.522 2.687 1.00 0.00 C ATOM 0 H ILE A 607 -6.985 -7.202 3.528 1.00 0.00 H new ATOM 0 HA ILE A 607 -6.583 -6.125 6.235 1.00 0.00 H new ATOM 0 HB ILE A 607 -5.471 -4.133 5.065 1.00 0.00 H new ATOM 0 HG12 ILE A 607 -5.325 -6.184 2.832 1.00 0.00 H new ATOM 0 HG13 ILE A 607 -6.124 -4.625 2.779 1.00 0.00 H new ATOM 0 HG21 ILE A 607 -3.259 -5.216 5.027 1.00 0.00 H new ATOM 0 HG22 ILE A 607 -4.218 -5.731 6.434 1.00 0.00 H new ATOM 0 HG23 ILE A 607 -4.044 -6.813 5.032 1.00 0.00 H new ATOM 0 HD11 ILE A 607 -3.984 -4.553 1.598 1.00 0.00 H new ATOM 0 HD12 ILE A 607 -3.948 -3.486 3.021 1.00 0.00 H new ATOM 0 HD13 ILE A 607 -3.136 -5.068 3.075 1.00 0.00 H new ATOM 1161 N ASP A 608 -8.177 -4.159 5.754 1.00 0.00 N ATOM 1162 CA ASP A 608 -9.330 -3.284 5.583 1.00 0.00 C ATOM 1163 C ASP A 608 -8.899 -1.821 5.526 1.00 0.00 C ATOM 1164 O ASP A 608 -8.589 -1.214 6.551 1.00 0.00 O ATOM 1165 CB ASP A 608 -10.328 -3.490 6.724 1.00 0.00 C ATOM 1166 CG ASP A 608 -11.327 -4.592 6.427 1.00 0.00 C ATOM 1167 OD1 ASP A 608 -12.086 -4.456 5.444 1.00 0.00 O ATOM 1168 OD2 ASP A 608 -11.348 -5.590 7.177 1.00 0.00 O ATOM 0 H ASP A 608 -7.640 -3.987 6.604 1.00 0.00 H new ATOM 0 HA ASP A 608 -9.811 -3.540 4.639 1.00 0.00 H new ATOM 0 HB2 ASP A 608 -9.786 -3.732 7.638 1.00 0.00 H new ATOM 0 HB3 ASP A 608 -10.863 -2.558 6.908 1.00 0.00 H new ATOM 1173 N VAL A 609 -8.881 -1.262 4.320 1.00 0.00 N ATOM 1174 CA VAL A 609 -8.488 0.129 4.129 1.00 0.00 C ATOM 1175 C VAL A 609 -9.709 1.033 4.006 1.00 0.00 C ATOM 1176 O VAL A 609 -10.602 0.781 3.196 1.00 0.00 O ATOM 1177 CB VAL A 609 -7.610 0.297 2.875 1.00 0.00 C ATOM 1178 CG1 VAL A 609 -6.957 1.671 2.860 1.00 0.00 C ATOM 1179 CG2 VAL A 609 -6.559 -0.801 2.810 1.00 0.00 C ATOM 0 H VAL A 609 -9.134 -1.751 3.461 1.00 0.00 H new ATOM 0 HA VAL A 609 -7.912 0.419 5.008 1.00 0.00 H new ATOM 0 HB VAL A 609 -8.246 0.213 1.994 1.00 0.00 H new ATOM 0 HG11 VAL A 609 -6.341 1.771 1.967 1.00 0.00 H new ATOM 0 HG12 VAL A 609 -7.729 2.441 2.856 1.00 0.00 H new ATOM 0 HG13 VAL A 609 -6.333 1.787 3.746 1.00 0.00 H new ATOM 0 HG21 VAL A 609 -5.947 -0.667 1.918 1.00 0.00 H new ATOM 0 HG22 VAL A 609 -5.925 -0.751 3.695 1.00 0.00 H new ATOM 0 HG23 VAL A 609 -7.050 -1.773 2.770 1.00 0.00 H new ATOM 1189 N ARG A 610 -9.743 2.088 4.814 1.00 0.00 N ATOM 1190 CA ARG A 610 -10.855 3.030 4.796 1.00 0.00 C ATOM 1191 C ARG A 610 -10.375 4.444 5.108 1.00 0.00 C ATOM 1192 O ARG A 610 -9.281 4.635 5.640 1.00 0.00 O ATOM 1193 CB ARG A 610 -11.925 2.608 5.805 1.00 0.00 C ATOM 1194 CG ARG A 610 -12.596 1.288 5.465 1.00 0.00 C ATOM 1195 CD ARG A 610 -11.865 0.112 6.094 1.00 0.00 C ATOM 1196 NE ARG A 610 -12.768 -0.996 6.395 1.00 0.00 N ATOM 1197 CZ ARG A 610 -13.735 -0.930 7.304 1.00 0.00 C ATOM 1198 NH1 ARG A 610 -13.923 0.184 7.997 1.00 0.00 N ATOM 1199 NH2 ARG A 610 -14.515 -1.981 7.521 1.00 0.00 N ATOM 0 H ARG A 610 -9.012 2.312 5.490 1.00 0.00 H new ATOM 0 HA ARG A 610 -11.287 3.025 3.795 1.00 0.00 H new ATOM 0 HB2 ARG A 610 -11.471 2.531 6.793 1.00 0.00 H new ATOM 0 HB3 ARG A 610 -12.685 3.387 5.864 1.00 0.00 H new ATOM 0 HG2 ARG A 610 -13.629 1.304 5.813 1.00 0.00 H new ATOM 0 HG3 ARG A 610 -12.626 1.162 4.383 1.00 0.00 H new ATOM 0 HD2 ARG A 610 -11.082 -0.232 5.418 1.00 0.00 H new ATOM 0 HD3 ARG A 610 -11.374 0.439 7.011 1.00 0.00 H new ATOM 0 HE ARG A 610 -12.650 -1.868 5.879 1.00 0.00 H new ATOM 0 HH11 ARG A 610 -13.325 0.994 7.833 1.00 0.00 H new ATOM 0 HH12 ARG A 610 -14.666 0.232 8.694 1.00 0.00 H new ATOM 0 HH21 ARG A 610 -14.373 -2.840 6.990 1.00 0.00 H new ATOM 0 HH22 ARG A 610 -15.257 -1.930 8.219 1.00 0.00 H new ATOM 1213 N ILE A 611 -11.200 5.431 4.774 1.00 0.00 N ATOM 1214 CA ILE A 611 -10.860 6.827 5.019 1.00 0.00 C ATOM 1215 C ILE A 611 -10.927 7.156 6.506 1.00 0.00 C ATOM 1216 O ILE A 611 -11.893 6.807 7.187 1.00 0.00 O ATOM 1217 CB ILE A 611 -11.796 7.778 4.251 1.00 0.00 C ATOM 1218 CG1 ILE A 611 -11.523 7.695 2.748 1.00 0.00 C ATOM 1219 CG2 ILE A 611 -11.625 9.205 4.749 1.00 0.00 C ATOM 1220 CD1 ILE A 611 -10.227 8.357 2.333 1.00 0.00 C ATOM 0 H ILE A 611 -12.109 5.289 4.333 1.00 0.00 H new ATOM 0 HA ILE A 611 -9.840 6.970 4.663 1.00 0.00 H new ATOM 0 HB ILE A 611 -12.827 7.473 4.430 1.00 0.00 H new ATOM 0 HG12 ILE A 611 -11.499 6.647 2.448 1.00 0.00 H new ATOM 0 HG13 ILE A 611 -12.349 8.161 2.210 1.00 0.00 H new ATOM 0 HG21 ILE A 611 -12.293 9.866 4.197 1.00 0.00 H new ATOM 0 HG22 ILE A 611 -11.866 9.251 5.811 1.00 0.00 H new ATOM 0 HG23 ILE A 611 -10.593 9.522 4.597 1.00 0.00 H new ATOM 0 HD11 ILE A 611 -10.098 8.260 1.255 1.00 0.00 H new ATOM 0 HD12 ILE A 611 -10.256 9.413 2.602 1.00 0.00 H new ATOM 0 HD13 ILE A 611 -9.393 7.875 2.843 1.00 0.00 H new ATOM 1232 N ASP A 612 -9.897 7.830 7.005 1.00 0.00 N ATOM 1233 CA ASP A 612 -9.840 8.209 8.412 1.00 0.00 C ATOM 1234 C ASP A 612 -10.026 9.714 8.577 1.00 0.00 C ATOM 1235 O ASP A 612 -10.429 10.187 9.640 1.00 0.00 O ATOM 1236 CB ASP A 612 -8.506 7.778 9.025 1.00 0.00 C ATOM 1237 CG ASP A 612 -8.625 7.457 10.502 1.00 0.00 C ATOM 1238 OD1 ASP A 612 -9.316 8.211 11.218 1.00 0.00 O ATOM 1239 OD2 ASP A 612 -8.026 6.454 10.942 1.00 0.00 O ATOM 0 H ASP A 612 -9.090 8.125 6.456 1.00 0.00 H new ATOM 0 HA ASP A 612 -10.652 7.701 8.933 1.00 0.00 H new ATOM 0 HB2 ASP A 612 -8.132 6.902 8.495 1.00 0.00 H new ATOM 0 HB3 ASP A 612 -7.772 8.572 8.887 1.00 0.00 H new