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 561 CYS SG : rot 180:sc= -0.342 USER MOD Set 1.2: A 596 MET CE :methyl -154:sc= -0.0145 (180deg=-0.248) USER MOD Single : A 544 ASN : amide:sc= -2.57! X(o=-2.6!,f=-2.4) 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 -165:sc=-0.00316 (180deg=-0.136) 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= -3.13! C(o=-3.1!,f=-11!) USER MOD Single : A 563 HIS :FLIP no HD1:sc= -0.382 F(o=-1,f=-0.38) USER MOD Single : A 566 TYR OH : rot 180:sc= 0 USER MOD Single : A 570 LYS NZ :NH3+ -171:sc= -0.0204 (180deg=-0.0985) USER MOD Single : A 577 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 579 CYS SG : rot 180:sc= -2.12 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 75:sc= 0.15 USER MOD Single : A 597 MET CE :methyl -170:sc= -0.878 (180deg=-1.19) USER MOD Single : A 598 ASN : amide:sc= -0.364 K(o=-0.36,f=-4.7!) USER MOD Single : A 600 MET CE :methyl 133:sc= -11! (180deg=-18.2!) 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 -5.641 11.089 5.055 1.00 0.00 N ATOM 60 CA GLY A 539 -4.872 10.010 5.648 1.00 0.00 C ATOM 61 C GLY A 539 -5.733 8.817 6.015 1.00 0.00 C ATOM 62 O GLY A 539 -6.412 8.827 7.041 1.00 0.00 O ATOM 0 HA2 GLY A 539 -4.097 9.694 4.949 1.00 0.00 H new ATOM 0 HA3 GLY A 539 -4.366 10.377 6.541 1.00 0.00 H new ATOM 66 N ILE A 540 -5.706 7.789 5.173 1.00 0.00 N ATOM 67 CA ILE A 540 -6.490 6.585 5.415 1.00 0.00 C ATOM 68 C ILE A 540 -5.916 5.778 6.574 1.00 0.00 C ATOM 69 O ILE A 540 -4.969 6.207 7.234 1.00 0.00 O ATOM 70 CB ILE A 540 -6.549 5.691 4.161 1.00 0.00 C ATOM 71 CG1 ILE A 540 -5.209 4.983 3.949 1.00 0.00 C ATOM 72 CG2 ILE A 540 -6.917 6.518 2.938 1.00 0.00 C ATOM 73 CD1 ILE A 540 -5.257 3.905 2.890 1.00 0.00 C ATOM 0 H ILE A 540 -5.150 7.766 4.318 1.00 0.00 H new ATOM 0 HA ILE A 540 -7.499 6.911 5.668 1.00 0.00 H new ATOM 0 HB ILE A 540 -7.319 4.934 4.308 1.00 0.00 H new ATOM 0 HG12 ILE A 540 -4.457 5.721 3.671 1.00 0.00 H new ATOM 0 HG13 ILE A 540 -4.888 4.541 4.892 1.00 0.00 H new ATOM 0 HG21 ILE A 540 -6.955 5.873 2.060 1.00 0.00 H new ATOM 0 HG22 ILE A 540 -7.892 6.980 3.091 1.00 0.00 H new ATOM 0 HG23 ILE A 540 -6.168 7.295 2.785 1.00 0.00 H new ATOM 0 HD11 ILE A 540 -4.273 3.446 2.793 1.00 0.00 H new ATOM 0 HD12 ILE A 540 -5.985 3.146 3.176 1.00 0.00 H new ATOM 0 HD13 ILE A 540 -5.548 4.345 1.936 1.00 0.00 H new ATOM 85 N PHE A 541 -6.493 4.606 6.815 1.00 0.00 N ATOM 86 CA PHE A 541 -6.039 3.737 7.894 1.00 0.00 C ATOM 87 C PHE A 541 -6.160 2.268 7.498 1.00 0.00 C ATOM 88 O PHE A 541 -7.194 1.833 6.992 1.00 0.00 O ATOM 89 CB PHE A 541 -6.847 4.002 9.166 1.00 0.00 C ATOM 90 CG PHE A 541 -6.079 3.742 10.430 1.00 0.00 C ATOM 91 CD1 PHE A 541 -5.861 2.447 10.871 1.00 0.00 C ATOM 92 CD2 PHE A 541 -5.575 4.794 11.179 1.00 0.00 C ATOM 93 CE1 PHE A 541 -5.154 2.204 12.033 1.00 0.00 C ATOM 94 CE2 PHE A 541 -4.867 4.558 12.342 1.00 0.00 C ATOM 95 CZ PHE A 541 -4.657 3.261 12.770 1.00 0.00 C ATOM 0 H PHE A 541 -7.277 4.236 6.277 1.00 0.00 H new ATOM 0 HA PHE A 541 -4.989 3.958 8.086 1.00 0.00 H new ATOM 0 HB2 PHE A 541 -7.185 5.038 9.163 1.00 0.00 H new ATOM 0 HB3 PHE A 541 -7.739 3.376 9.157 1.00 0.00 H new ATOM 0 HD1 PHE A 541 -6.249 1.617 10.299 1.00 0.00 H new ATOM 0 HD2 PHE A 541 -5.738 5.810 10.850 1.00 0.00 H new ATOM 0 HE1 PHE A 541 -4.990 1.189 12.364 1.00 0.00 H new ATOM 0 HE2 PHE A 541 -4.478 5.386 12.916 1.00 0.00 H new ATOM 0 HZ PHE A 541 -4.105 3.074 13.679 1.00 0.00 H new ATOM 105 N VAL A 542 -5.094 1.509 7.733 1.00 0.00 N ATOM 106 CA VAL A 542 -5.080 0.089 7.401 1.00 0.00 C ATOM 107 C VAL A 542 -4.931 -0.766 8.654 1.00 0.00 C ATOM 108 O VAL A 542 -4.329 -0.341 9.640 1.00 0.00 O ATOM 109 CB VAL A 542 -3.938 -0.248 6.424 1.00 0.00 C ATOM 110 CG1 VAL A 542 -4.209 -1.570 5.721 1.00 0.00 C ATOM 111 CG2 VAL A 542 -3.753 0.874 5.414 1.00 0.00 C ATOM 0 H VAL A 542 -4.230 1.853 8.152 1.00 0.00 H new ATOM 0 HA VAL A 542 -6.034 -0.134 6.923 1.00 0.00 H new ATOM 0 HB VAL A 542 -3.014 -0.350 6.993 1.00 0.00 H new ATOM 0 HG11 VAL A 542 -3.392 -1.791 5.035 1.00 0.00 H new ATOM 0 HG12 VAL A 542 -4.287 -2.366 6.461 1.00 0.00 H new ATOM 0 HG13 VAL A 542 -5.143 -1.501 5.163 1.00 0.00 H new ATOM 0 HG21 VAL A 542 -2.942 0.619 4.732 1.00 0.00 H new ATOM 0 HG22 VAL A 542 -4.675 1.010 4.848 1.00 0.00 H new ATOM 0 HG23 VAL A 542 -3.509 1.798 5.938 1.00 0.00 H new ATOM 121 N ARG A 543 -5.483 -1.974 8.609 1.00 0.00 N ATOM 122 CA ARG A 543 -5.412 -2.890 9.741 1.00 0.00 C ATOM 123 C ARG A 543 -5.224 -4.328 9.267 1.00 0.00 C ATOM 124 O ARG A 543 -5.526 -4.658 8.121 1.00 0.00 O ATOM 125 CB ARG A 543 -6.680 -2.784 10.590 1.00 0.00 C ATOM 126 CG ARG A 543 -6.600 -1.721 11.674 1.00 0.00 C ATOM 127 CD ARG A 543 -7.617 -1.971 12.776 1.00 0.00 C ATOM 128 NE ARG A 543 -7.401 -3.254 13.440 1.00 0.00 N ATOM 129 CZ ARG A 543 -7.958 -3.583 14.600 1.00 0.00 C ATOM 130 NH1 ARG A 543 -8.760 -2.730 15.221 1.00 0.00 N ATOM 131 NH2 ARG A 543 -7.712 -4.770 15.142 1.00 0.00 N ATOM 0 H ARG A 543 -5.985 -2.341 7.800 1.00 0.00 H new ATOM 0 HA ARG A 543 -4.551 -2.611 10.348 1.00 0.00 H new ATOM 0 HB2 ARG A 543 -7.526 -2.564 9.939 1.00 0.00 H new ATOM 0 HB3 ARG A 543 -6.878 -3.750 11.054 1.00 0.00 H new ATOM 0 HG2 ARG A 543 -5.597 -1.709 12.100 1.00 0.00 H new ATOM 0 HG3 ARG A 543 -6.772 -0.738 11.235 1.00 0.00 H new ATOM 0 HD2 ARG A 543 -7.559 -1.168 13.511 1.00 0.00 H new ATOM 0 HD3 ARG A 543 -8.622 -1.946 12.354 1.00 0.00 H new ATOM 0 HE ARG A 543 -6.789 -3.934 12.988 1.00 0.00 H new ATOM 0 HH11 ARG A 543 -8.951 -1.817 14.808 1.00 0.00 H new ATOM 0 HH12 ARG A 543 -9.186 -2.986 16.112 1.00 0.00 H new ATOM 0 HH21 ARG A 543 -7.095 -5.429 14.667 1.00 0.00 H new ATOM 0 HH22 ARG A 543 -8.140 -5.022 16.033 1.00 0.00 H new ATOM 145 N ASN A 544 -4.723 -5.179 10.156 1.00 0.00 N ATOM 146 CA ASN A 544 -4.493 -6.581 9.828 1.00 0.00 C ATOM 147 C ASN A 544 -3.298 -6.732 8.892 1.00 0.00 C ATOM 148 O ASN A 544 -3.210 -7.697 8.131 1.00 0.00 O ATOM 149 CB ASN A 544 -5.742 -7.186 9.182 1.00 0.00 C ATOM 150 CG ASN A 544 -5.758 -8.700 9.263 1.00 0.00 C ATOM 151 OD1 ASN A 544 -6.394 -9.279 10.144 1.00 0.00 O ATOM 152 ND2 ASN A 544 -5.056 -9.349 8.341 1.00 0.00 N ATOM 0 H ASN A 544 -4.468 -4.922 11.110 1.00 0.00 H new ATOM 0 HA ASN A 544 -4.276 -7.114 10.753 1.00 0.00 H new ATOM 0 HB2 ASN A 544 -6.630 -6.789 9.673 1.00 0.00 H new ATOM 0 HB3 ASN A 544 -5.792 -6.880 8.137 1.00 0.00 H new ATOM 0 HD21 ASN A 544 -5.029 -10.369 8.345 1.00 0.00 H new ATOM 0 HD22 ASN A 544 -4.544 -8.828 7.629 1.00 0.00 H new ATOM 159 N LEU A 545 -2.381 -5.774 8.953 1.00 0.00 N ATOM 160 CA LEU A 545 -1.190 -5.799 8.111 1.00 0.00 C ATOM 161 C LEU A 545 -0.179 -6.818 8.629 1.00 0.00 C ATOM 162 O LEU A 545 0.020 -6.975 9.834 1.00 0.00 O ATOM 163 CB LEU A 545 -0.549 -4.411 8.057 1.00 0.00 C ATOM 164 CG LEU A 545 -1.264 -3.376 7.188 1.00 0.00 C ATOM 165 CD1 LEU A 545 -0.822 -1.969 7.562 1.00 0.00 C ATOM 166 CD2 LEU A 545 -1.002 -3.645 5.713 1.00 0.00 C ATOM 0 H LEU A 545 -2.439 -4.969 9.577 1.00 0.00 H new ATOM 0 HA LEU A 545 -1.492 -6.092 7.106 1.00 0.00 H new ATOM 0 HB2 LEU A 545 -0.486 -4.022 9.073 1.00 0.00 H new ATOM 0 HB3 LEU A 545 0.473 -4.518 7.693 1.00 0.00 H new ATOM 0 HG LEU A 545 -2.336 -3.458 7.367 1.00 0.00 H new ATOM 0 HD11 LEU A 545 -1.341 -1.245 6.933 1.00 0.00 H new ATOM 0 HD12 LEU A 545 -1.061 -1.778 8.608 1.00 0.00 H new ATOM 0 HD13 LEU A 545 0.254 -1.874 7.413 1.00 0.00 H new ATOM 0 HD21 LEU A 545 -1.519 -2.899 5.110 1.00 0.00 H new ATOM 0 HD22 LEU A 545 0.069 -3.591 5.518 1.00 0.00 H new ATOM 0 HD23 LEU A 545 -1.368 -4.638 5.454 1.00 0.00 H new ATOM 178 N PRO A 546 0.476 -7.528 7.698 1.00 0.00 N ATOM 179 CA PRO A 546 1.479 -8.542 8.036 1.00 0.00 C ATOM 180 C PRO A 546 2.753 -7.929 8.607 1.00 0.00 C ATOM 181 O PRO A 546 3.343 -7.029 8.008 1.00 0.00 O ATOM 182 CB PRO A 546 1.766 -9.218 6.693 1.00 0.00 C ATOM 183 CG PRO A 546 1.429 -8.189 5.671 1.00 0.00 C ATOM 184 CD PRO A 546 0.288 -7.394 6.243 1.00 0.00 C ATOM 0 HA PRO A 546 1.123 -9.227 8.806 1.00 0.00 H new ATOM 0 HB2 PRO A 546 2.810 -9.523 6.618 1.00 0.00 H new ATOM 0 HB3 PRO A 546 1.162 -10.116 6.565 1.00 0.00 H new ATOM 0 HG2 PRO A 546 2.286 -7.548 5.465 1.00 0.00 H new ATOM 0 HG3 PRO A 546 1.145 -8.655 4.727 1.00 0.00 H new ATOM 0 HD2 PRO A 546 0.326 -6.352 5.927 1.00 0.00 H new ATOM 0 HD3 PRO A 546 -0.677 -7.789 5.924 1.00 0.00 H new ATOM 192 N PHE A 547 3.173 -8.422 9.767 1.00 0.00 N ATOM 193 CA PHE A 547 4.378 -7.922 10.419 1.00 0.00 C ATOM 194 C PHE A 547 5.425 -7.514 9.387 1.00 0.00 C ATOM 195 O PHE A 547 5.806 -6.346 9.302 1.00 0.00 O ATOM 196 CB PHE A 547 4.956 -8.986 11.355 1.00 0.00 C ATOM 197 CG PHE A 547 4.250 -9.068 12.678 1.00 0.00 C ATOM 198 CD1 PHE A 547 2.985 -9.626 12.770 1.00 0.00 C ATOM 199 CD2 PHE A 547 4.852 -8.587 13.830 1.00 0.00 C ATOM 200 CE1 PHE A 547 2.334 -9.701 13.987 1.00 0.00 C ATOM 201 CE2 PHE A 547 4.205 -8.660 15.049 1.00 0.00 C ATOM 202 CZ PHE A 547 2.945 -9.219 15.128 1.00 0.00 C ATOM 0 H PHE A 547 2.697 -9.167 10.275 1.00 0.00 H new ATOM 0 HA PHE A 547 4.107 -7.043 11.003 1.00 0.00 H new ATOM 0 HB2 PHE A 547 4.904 -9.958 10.864 1.00 0.00 H new ATOM 0 HB3 PHE A 547 6.011 -8.772 11.528 1.00 0.00 H new ATOM 0 HD1 PHE A 547 2.503 -10.006 11.882 1.00 0.00 H new ATOM 0 HD2 PHE A 547 5.838 -8.150 13.774 1.00 0.00 H new ATOM 0 HE1 PHE A 547 1.347 -10.137 14.046 1.00 0.00 H new ATOM 0 HE2 PHE A 547 4.685 -8.280 15.939 1.00 0.00 H new ATOM 0 HZ PHE A 547 2.438 -9.279 16.080 1.00 0.00 H new ATOM 212 N ASP A 548 5.886 -8.484 8.605 1.00 0.00 N ATOM 213 CA ASP A 548 6.889 -8.226 7.578 1.00 0.00 C ATOM 214 C ASP A 548 6.700 -6.840 6.969 1.00 0.00 C ATOM 215 O ASP A 548 7.664 -6.101 6.769 1.00 0.00 O ATOM 216 CB ASP A 548 6.815 -9.292 6.484 1.00 0.00 C ATOM 217 CG ASP A 548 6.534 -10.674 7.040 1.00 0.00 C ATOM 218 OD1 ASP A 548 7.158 -11.041 8.057 1.00 0.00 O ATOM 219 OD2 ASP A 548 5.692 -11.389 6.457 1.00 0.00 O ATOM 0 H ASP A 548 5.581 -9.456 8.663 1.00 0.00 H new ATOM 0 HA ASP A 548 7.872 -8.265 8.047 1.00 0.00 H new ATOM 0 HB2 ASP A 548 6.034 -9.024 5.772 1.00 0.00 H new ATOM 0 HB3 ASP A 548 7.756 -9.309 5.934 1.00 0.00 H new ATOM 224 N PHE A 549 5.451 -6.494 6.675 1.00 0.00 N ATOM 225 CA PHE A 549 5.135 -5.198 6.087 1.00 0.00 C ATOM 226 C PHE A 549 5.914 -4.083 6.778 1.00 0.00 C ATOM 227 O PHE A 549 5.668 -3.765 7.942 1.00 0.00 O ATOM 228 CB PHE A 549 3.633 -4.922 6.184 1.00 0.00 C ATOM 229 CG PHE A 549 3.107 -4.067 5.067 1.00 0.00 C ATOM 230 CD1 PHE A 549 2.817 -4.621 3.831 1.00 0.00 C ATOM 231 CD2 PHE A 549 2.902 -2.709 5.254 1.00 0.00 C ATOM 232 CE1 PHE A 549 2.334 -3.836 2.801 1.00 0.00 C ATOM 233 CE2 PHE A 549 2.418 -1.920 4.228 1.00 0.00 C ATOM 234 CZ PHE A 549 2.132 -2.484 3.000 1.00 0.00 C ATOM 0 H PHE A 549 4.641 -7.093 6.834 1.00 0.00 H new ATOM 0 HA PHE A 549 5.425 -5.223 5.037 1.00 0.00 H new ATOM 0 HB2 PHE A 549 3.097 -5.871 6.188 1.00 0.00 H new ATOM 0 HB3 PHE A 549 3.422 -4.433 7.135 1.00 0.00 H new ATOM 0 HD1 PHE A 549 2.970 -5.678 3.670 1.00 0.00 H new ATOM 0 HD2 PHE A 549 3.123 -2.263 6.212 1.00 0.00 H new ATOM 0 HE1 PHE A 549 2.115 -4.279 1.841 1.00 0.00 H new ATOM 0 HE2 PHE A 549 2.263 -0.863 4.386 1.00 0.00 H new ATOM 0 HZ PHE A 549 1.751 -1.870 2.197 1.00 0.00 H new ATOM 244 N THR A 550 6.858 -3.491 6.052 1.00 0.00 N ATOM 245 CA THR A 550 7.675 -2.413 6.594 1.00 0.00 C ATOM 246 C THR A 550 7.222 -1.058 6.062 1.00 0.00 C ATOM 247 O THR A 550 6.687 -0.963 4.957 1.00 0.00 O ATOM 248 CB THR A 550 9.165 -2.612 6.256 1.00 0.00 C ATOM 249 OG1 THR A 550 9.340 -2.683 4.837 1.00 0.00 O ATOM 250 CG2 THR A 550 9.701 -3.881 6.902 1.00 0.00 C ATOM 0 H THR A 550 7.075 -3.740 5.087 1.00 0.00 H new ATOM 0 HA THR A 550 7.549 -2.436 7.676 1.00 0.00 H new ATOM 0 HB THR A 550 9.721 -1.760 6.648 1.00 0.00 H new ATOM 0 HG1 THR A 550 10.290 -2.808 4.630 1.00 0.00 H new ATOM 0 HG21 THR A 550 10.755 -4.001 6.650 1.00 0.00 H new ATOM 0 HG22 THR A 550 9.593 -3.812 7.984 1.00 0.00 H new ATOM 0 HG23 THR A 550 9.140 -4.741 6.535 1.00 0.00 H new ATOM 258 N TRP A 551 7.440 -0.014 6.853 1.00 0.00 N ATOM 259 CA TRP A 551 7.054 1.337 6.459 1.00 0.00 C ATOM 260 C TRP A 551 7.327 1.571 4.978 1.00 0.00 C ATOM 261 O TRP A 551 6.478 2.091 4.254 1.00 0.00 O ATOM 262 CB TRP A 551 7.807 2.369 7.299 1.00 0.00 C ATOM 263 CG TRP A 551 9.280 2.400 7.023 1.00 0.00 C ATOM 264 CD1 TRP A 551 10.232 1.585 7.566 1.00 0.00 C ATOM 265 CD2 TRP A 551 9.968 3.290 6.139 1.00 0.00 C ATOM 266 NE1 TRP A 551 11.471 1.916 7.072 1.00 0.00 N ATOM 267 CE2 TRP A 551 11.336 2.958 6.194 1.00 0.00 C ATOM 268 CE3 TRP A 551 9.562 4.335 5.304 1.00 0.00 C ATOM 269 CZ2 TRP A 551 12.297 3.635 5.447 1.00 0.00 C ATOM 270 CZ3 TRP A 551 10.517 5.006 4.564 1.00 0.00 C ATOM 271 CH2 TRP A 551 11.871 4.653 4.639 1.00 0.00 C ATOM 0 H TRP A 551 7.882 -0.076 7.770 1.00 0.00 H new ATOM 0 HA TRP A 551 5.984 1.448 6.633 1.00 0.00 H new ATOM 0 HB2 TRP A 551 7.388 3.357 7.108 1.00 0.00 H new ATOM 0 HB3 TRP A 551 7.647 2.153 8.355 1.00 0.00 H new ATOM 0 HD1 TRP A 551 10.039 0.797 8.279 1.00 0.00 H new ATOM 0 HE1 TRP A 551 12.349 1.459 7.319 1.00 0.00 H new ATOM 0 HE3 TRP A 551 8.520 4.613 5.238 1.00 0.00 H new ATOM 0 HZ2 TRP A 551 13.341 3.366 5.504 1.00 0.00 H new ATOM 0 HZ3 TRP A 551 10.215 5.816 3.917 1.00 0.00 H new ATOM 0 HH2 TRP A 551 12.593 5.196 4.047 1.00 0.00 H new ATOM 282 N LYS A 552 8.518 1.184 4.531 1.00 0.00 N ATOM 283 CA LYS A 552 8.903 1.350 3.135 1.00 0.00 C ATOM 284 C LYS A 552 7.780 0.905 2.204 1.00 0.00 C ATOM 285 O LYS A 552 7.475 1.577 1.218 1.00 0.00 O ATOM 286 CB LYS A 552 10.174 0.552 2.837 1.00 0.00 C ATOM 287 CG LYS A 552 11.454 1.333 3.077 1.00 0.00 C ATOM 288 CD LYS A 552 11.804 2.211 1.887 1.00 0.00 C ATOM 289 CE LYS A 552 12.659 1.463 0.876 1.00 0.00 C ATOM 290 NZ LYS A 552 13.469 2.392 0.040 1.00 0.00 N ATOM 0 H LYS A 552 9.233 0.753 5.117 1.00 0.00 H new ATOM 0 HA LYS A 552 9.097 2.408 2.961 1.00 0.00 H new ATOM 0 HB2 LYS A 552 10.184 -0.344 3.457 1.00 0.00 H new ATOM 0 HB3 LYS A 552 10.150 0.221 1.799 1.00 0.00 H new ATOM 0 HG2 LYS A 552 11.342 1.953 3.967 1.00 0.00 H new ATOM 0 HG3 LYS A 552 12.273 0.640 3.272 1.00 0.00 H new ATOM 0 HD2 LYS A 552 10.889 2.556 1.406 1.00 0.00 H new ATOM 0 HD3 LYS A 552 12.337 3.097 2.231 1.00 0.00 H new ATOM 0 HE2 LYS A 552 13.322 0.774 1.400 1.00 0.00 H new ATOM 0 HE3 LYS A 552 12.017 0.861 0.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 552 14.038 1.844 -0.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 552 12.836 3.033 -0.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 552 14.100 2.949 0.651 1.00 0.00 H new ATOM 304 N MET A 553 7.167 -0.230 2.524 1.00 0.00 N ATOM 305 CA MET A 553 6.075 -0.762 1.717 1.00 0.00 C ATOM 306 C MET A 553 4.854 0.149 1.785 1.00 0.00 C ATOM 307 O MET A 553 4.432 0.715 0.776 1.00 0.00 O ATOM 308 CB MET A 553 5.704 -2.169 2.188 1.00 0.00 C ATOM 309 CG MET A 553 6.886 -3.122 2.248 1.00 0.00 C ATOM 310 SD MET A 553 7.153 -3.997 0.694 1.00 0.00 S ATOM 311 CE MET A 553 5.820 -5.193 0.745 1.00 0.00 C ATOM 0 H MET A 553 7.408 -0.799 3.336 1.00 0.00 H new ATOM 0 HA MET A 553 6.412 -0.810 0.681 1.00 0.00 H new ATOM 0 HB2 MET A 553 5.250 -2.104 3.177 1.00 0.00 H new ATOM 0 HB3 MET A 553 4.950 -2.581 1.517 1.00 0.00 H new ATOM 0 HG2 MET A 553 7.786 -2.563 2.505 1.00 0.00 H new ATOM 0 HG3 MET A 553 6.723 -3.847 3.045 1.00 0.00 H new ATOM 0 HE1 MET A 553 6.001 -5.971 0.004 1.00 0.00 H new ATOM 0 HE2 MET A 553 5.771 -5.641 1.737 1.00 0.00 H new ATOM 0 HE3 MET A 553 4.876 -4.695 0.525 1.00 0.00 H new ATOM 321 N LEU A 554 4.290 0.286 2.980 1.00 0.00 N ATOM 322 CA LEU A 554 3.116 1.129 3.180 1.00 0.00 C ATOM 323 C LEU A 554 3.192 2.383 2.315 1.00 0.00 C ATOM 324 O LEU A 554 2.174 2.883 1.836 1.00 0.00 O ATOM 325 CB LEU A 554 2.989 1.519 4.654 1.00 0.00 C ATOM 326 CG LEU A 554 1.612 2.011 5.102 1.00 0.00 C ATOM 327 CD1 LEU A 554 0.633 0.851 5.189 1.00 0.00 C ATOM 328 CD2 LEU A 554 1.712 2.729 6.440 1.00 0.00 C ATOM 0 H LEU A 554 4.626 -0.176 3.825 1.00 0.00 H new ATOM 0 HA LEU A 554 2.235 0.559 2.884 1.00 0.00 H new ATOM 0 HB2 LEU A 554 3.260 0.656 5.262 1.00 0.00 H new ATOM 0 HB3 LEU A 554 3.719 2.300 4.867 1.00 0.00 H new ATOM 0 HG LEU A 554 1.240 2.718 4.360 1.00 0.00 H new ATOM 0 HD11 LEU A 554 -0.341 1.220 5.509 1.00 0.00 H new ATOM 0 HD12 LEU A 554 0.539 0.380 4.210 1.00 0.00 H new ATOM 0 HD13 LEU A 554 0.999 0.120 5.910 1.00 0.00 H new ATOM 0 HD21 LEU A 554 0.723 3.072 6.743 1.00 0.00 H new ATOM 0 HD22 LEU A 554 2.105 2.045 7.192 1.00 0.00 H new ATOM 0 HD23 LEU A 554 2.380 3.585 6.344 1.00 0.00 H new ATOM 340 N LYS A 555 4.406 2.886 2.117 1.00 0.00 N ATOM 341 CA LYS A 555 4.617 4.080 1.307 1.00 0.00 C ATOM 342 C LYS A 555 4.755 3.718 -0.168 1.00 0.00 C ATOM 343 O LYS A 555 4.052 4.264 -1.019 1.00 0.00 O ATOM 344 CB LYS A 555 5.867 4.827 1.779 1.00 0.00 C ATOM 345 CG LYS A 555 5.981 6.234 1.220 1.00 0.00 C ATOM 346 CD LYS A 555 7.433 6.654 1.058 1.00 0.00 C ATOM 347 CE LYS A 555 7.601 8.156 1.227 1.00 0.00 C ATOM 348 NZ LYS A 555 9.024 8.574 1.087 1.00 0.00 N ATOM 0 H LYS A 555 5.259 2.485 2.507 1.00 0.00 H new ATOM 0 HA LYS A 555 3.748 4.728 1.425 1.00 0.00 H new ATOM 0 HB2 LYS A 555 5.861 4.877 2.868 1.00 0.00 H new ATOM 0 HB3 LYS A 555 6.751 4.258 1.491 1.00 0.00 H new ATOM 0 HG2 LYS A 555 5.477 6.285 0.255 1.00 0.00 H new ATOM 0 HG3 LYS A 555 5.471 6.933 1.883 1.00 0.00 H new ATOM 0 HD2 LYS A 555 8.048 6.133 1.792 1.00 0.00 H new ATOM 0 HD3 LYS A 555 7.792 6.355 0.073 1.00 0.00 H new ATOM 0 HE2 LYS A 555 6.995 8.675 0.484 1.00 0.00 H new ATOM 0 HE3 LYS A 555 7.229 8.455 2.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 555 9.097 9.604 1.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 555 9.598 8.098 1.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 555 9.372 8.312 0.143 1.00 0.00 H new ATOM 362 N ASP A 556 5.663 2.795 -0.464 1.00 0.00 N ATOM 363 CA ASP A 556 5.891 2.359 -1.837 1.00 0.00 C ATOM 364 C ASP A 556 4.671 1.625 -2.384 1.00 0.00 C ATOM 365 O ASP A 556 4.086 2.033 -3.387 1.00 0.00 O ATOM 366 CB ASP A 556 7.121 1.453 -1.909 1.00 0.00 C ATOM 367 CG ASP A 556 8.416 2.216 -1.710 1.00 0.00 C ATOM 368 OD1 ASP A 556 8.408 3.211 -0.955 1.00 0.00 O ATOM 369 OD2 ASP A 556 9.437 1.819 -2.308 1.00 0.00 O ATOM 0 H ASP A 556 6.253 2.334 0.228 1.00 0.00 H new ATOM 0 HA ASP A 556 6.065 3.244 -2.449 1.00 0.00 H new ATOM 0 HB2 ASP A 556 7.041 0.676 -1.149 1.00 0.00 H new ATOM 0 HB3 ASP A 556 7.143 0.952 -2.877 1.00 0.00 H new ATOM 374 N LYS A 557 4.292 0.540 -1.718 1.00 0.00 N ATOM 375 CA LYS A 557 3.141 -0.252 -2.136 1.00 0.00 C ATOM 376 C LYS A 557 1.960 0.648 -2.487 1.00 0.00 C ATOM 377 O LYS A 557 1.326 0.477 -3.528 1.00 0.00 O ATOM 378 CB LYS A 557 2.739 -1.229 -1.029 1.00 0.00 C ATOM 379 CG LYS A 557 1.316 -1.745 -1.159 1.00 0.00 C ATOM 380 CD LYS A 557 1.161 -2.655 -2.366 1.00 0.00 C ATOM 381 CE LYS A 557 1.426 -4.108 -2.005 1.00 0.00 C ATOM 382 NZ LYS A 557 1.789 -4.919 -3.201 1.00 0.00 N ATOM 0 H LYS A 557 4.765 0.188 -0.886 1.00 0.00 H new ATOM 0 HA LYS A 557 3.423 -0.816 -3.025 1.00 0.00 H new ATOM 0 HB2 LYS A 557 3.425 -2.076 -1.036 1.00 0.00 H new ATOM 0 HB3 LYS A 557 2.851 -0.736 -0.063 1.00 0.00 H new ATOM 0 HG2 LYS A 557 1.041 -2.288 -0.255 1.00 0.00 H new ATOM 0 HG3 LYS A 557 0.629 -0.903 -1.246 1.00 0.00 H new ATOM 0 HD2 LYS A 557 0.153 -2.557 -2.770 1.00 0.00 H new ATOM 0 HD3 LYS A 557 1.850 -2.342 -3.150 1.00 0.00 H new ATOM 0 HE2 LYS A 557 2.232 -4.159 -1.273 1.00 0.00 H new ATOM 0 HE3 LYS A 557 0.540 -4.533 -1.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 557 1.962 -5.903 -2.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 557 1.010 -4.891 -3.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 557 2.649 -4.529 -3.637 1.00 0.00 H new ATOM 396 N PHE A 558 1.672 1.606 -1.613 1.00 0.00 N ATOM 397 CA PHE A 558 0.568 2.533 -1.832 1.00 0.00 C ATOM 398 C PHE A 558 0.924 3.561 -2.902 1.00 0.00 C ATOM 399 O PHE A 558 0.098 3.905 -3.746 1.00 0.00 O ATOM 400 CB PHE A 558 0.205 3.244 -0.526 1.00 0.00 C ATOM 401 CG PHE A 558 -0.655 2.418 0.387 1.00 0.00 C ATOM 402 CD1 PHE A 558 -0.185 1.225 0.911 1.00 0.00 C ATOM 403 CD2 PHE A 558 -1.933 2.836 0.723 1.00 0.00 C ATOM 404 CE1 PHE A 558 -0.975 0.462 1.751 1.00 0.00 C ATOM 405 CE2 PHE A 558 -2.727 2.078 1.563 1.00 0.00 C ATOM 406 CZ PHE A 558 -2.246 0.890 2.079 1.00 0.00 C ATOM 0 H PHE A 558 2.187 1.761 -0.747 1.00 0.00 H new ATOM 0 HA PHE A 558 -0.292 1.959 -2.177 1.00 0.00 H new ATOM 0 HB2 PHE A 558 1.122 3.515 -0.002 1.00 0.00 H new ATOM 0 HB3 PHE A 558 -0.315 4.173 -0.760 1.00 0.00 H new ATOM 0 HD1 PHE A 558 0.810 0.887 0.661 1.00 0.00 H new ATOM 0 HD2 PHE A 558 -2.313 3.765 0.324 1.00 0.00 H new ATOM 0 HE1 PHE A 558 -0.598 -0.468 2.150 1.00 0.00 H new ATOM 0 HE2 PHE A 558 -3.722 2.414 1.816 1.00 0.00 H new ATOM 0 HZ PHE A 558 -2.863 0.297 2.738 1.00 0.00 H new ATOM 416 N ASN A 559 2.160 4.047 -2.859 1.00 0.00 N ATOM 417 CA ASN A 559 2.627 5.036 -3.823 1.00 0.00 C ATOM 418 C ASN A 559 2.157 4.685 -5.232 1.00 0.00 C ATOM 419 O ASN A 559 2.061 5.554 -6.098 1.00 0.00 O ATOM 420 CB ASN A 559 4.154 5.130 -3.791 1.00 0.00 C ATOM 421 CG ASN A 559 4.648 6.174 -2.808 1.00 0.00 C ATOM 422 OD1 ASN A 559 3.979 7.178 -2.562 1.00 0.00 O ATOM 423 ND2 ASN A 559 5.825 5.940 -2.239 1.00 0.00 N ATOM 0 H ASN A 559 2.856 3.772 -2.166 1.00 0.00 H new ATOM 0 HA ASN A 559 2.205 6.003 -3.548 1.00 0.00 H new ATOM 0 HB2 ASN A 559 4.570 4.158 -3.524 1.00 0.00 H new ATOM 0 HB3 ASN A 559 4.522 5.371 -4.788 1.00 0.00 H new ATOM 0 HD21 ASN A 559 6.209 6.606 -1.568 1.00 0.00 H new ATOM 0 HD22 ASN A 559 6.345 5.094 -2.473 1.00 0.00 H new ATOM 430 N GLU A 560 1.867 3.407 -5.452 1.00 0.00 N ATOM 431 CA GLU A 560 1.408 2.942 -6.756 1.00 0.00 C ATOM 432 C GLU A 560 0.185 3.730 -7.215 1.00 0.00 C ATOM 433 O GLU A 560 0.088 4.127 -8.377 1.00 0.00 O ATOM 434 CB GLU A 560 1.076 1.450 -6.702 1.00 0.00 C ATOM 435 CG GLU A 560 2.269 0.550 -6.982 1.00 0.00 C ATOM 436 CD GLU A 560 1.870 -0.762 -7.628 1.00 0.00 C ATOM 437 OE1 GLU A 560 0.746 -0.841 -8.166 1.00 0.00 O ATOM 438 OE2 GLU A 560 2.682 -1.710 -7.596 1.00 0.00 O ATOM 0 H GLU A 560 1.942 2.675 -4.745 1.00 0.00 H new ATOM 0 HA GLU A 560 2.212 3.102 -7.474 1.00 0.00 H new ATOM 0 HB2 GLU A 560 0.675 1.211 -5.717 1.00 0.00 H new ATOM 0 HB3 GLU A 560 0.291 1.235 -7.427 1.00 0.00 H new ATOM 0 HG2 GLU A 560 2.969 1.073 -7.633 1.00 0.00 H new ATOM 0 HG3 GLU A 560 2.793 0.346 -6.048 1.00 0.00 H new ATOM 445 N CYS A 561 -0.747 3.952 -6.295 1.00 0.00 N ATOM 446 CA CYS A 561 -1.966 4.692 -6.604 1.00 0.00 C ATOM 447 C CYS A 561 -1.663 6.169 -6.829 1.00 0.00 C ATOM 448 O CYS A 561 -2.029 6.739 -7.857 1.00 0.00 O ATOM 449 CB CYS A 561 -2.984 4.534 -5.473 1.00 0.00 C ATOM 450 SG CYS A 561 -4.505 5.482 -5.712 1.00 0.00 S ATOM 0 H CYS A 561 -0.682 3.630 -5.329 1.00 0.00 H new ATOM 0 HA CYS A 561 -2.387 4.282 -7.522 1.00 0.00 H new ATOM 0 HB2 CYS A 561 -3.238 3.479 -5.372 1.00 0.00 H new ATOM 0 HB3 CYS A 561 -2.520 4.841 -4.536 1.00 0.00 H new ATOM 0 HG CYS A 561 -5.303 5.282 -4.706 1.00 0.00 H new ATOM 456 N GLY A 562 -0.994 6.786 -5.860 1.00 0.00 N ATOM 457 CA GLY A 562 -0.655 8.193 -5.971 1.00 0.00 C ATOM 458 C GLY A 562 0.641 8.534 -5.263 1.00 0.00 C ATOM 459 O GLY A 562 1.531 7.691 -5.140 1.00 0.00 O ATOM 0 H GLY A 562 -0.681 6.337 -5.000 1.00 0.00 H new ATOM 0 HA2 GLY A 562 -0.572 8.462 -7.024 1.00 0.00 H new ATOM 0 HA3 GLY A 562 -1.463 8.793 -5.552 1.00 0.00 H new ATOM 463 N HIS A 563 0.751 9.774 -4.797 1.00 0.00 N ATOM 464 CA HIS A 563 1.949 10.226 -4.099 1.00 0.00 C ATOM 465 C HIS A 563 1.727 10.235 -2.590 1.00 0.00 C ATOM 466 O HIS A 563 0.925 11.015 -2.074 1.00 0.00 O ATOM 467 CB HIS A 563 2.347 11.623 -4.576 1.00 0.00 C ATOM 468 CG HIS A 563 3.509 12.202 -3.830 1.00 0.00 C ATOM 469 ND1 HIS A 563 3.616 12.627 -2.549 1.00 0.00 N flip ATOM 470 CD2 HIS A 563 4.747 12.402 -4.403 1.00 0.00 C flip ATOM 471 CE1 HIS A 563 4.904 13.070 -2.373 1.00 0.00 C flip ATOM 472 NE2 HIS A 563 5.566 12.923 -3.507 1.00 0.00 N flip ATOM 0 H HIS A 563 0.025 10.484 -4.890 1.00 0.00 H new ATOM 0 HA HIS A 563 2.756 9.530 -4.326 1.00 0.00 H new ATOM 0 HB2 HIS A 563 2.592 11.579 -5.637 1.00 0.00 H new ATOM 0 HB3 HIS A 563 1.491 12.290 -4.474 1.00 0.00 H new ATOM 0 HD2 HIS A 563 5.007 12.169 -5.425 1.00 0.00 H new ATOM 0 HE1 HIS A 563 5.310 13.473 -1.457 1.00 0.00 H new ATOM 0 HE2 HIS A 563 6.543 13.170 -3.664 1.00 0.00 H new ATOM 481 N VAL A 564 2.442 9.363 -1.886 1.00 0.00 N ATOM 482 CA VAL A 564 2.323 9.271 -0.436 1.00 0.00 C ATOM 483 C VAL A 564 3.147 10.353 0.253 1.00 0.00 C ATOM 484 O VAL A 564 4.320 10.553 -0.066 1.00 0.00 O ATOM 485 CB VAL A 564 2.776 7.891 0.078 1.00 0.00 C ATOM 486 CG1 VAL A 564 2.936 7.910 1.591 1.00 0.00 C ATOM 487 CG2 VAL A 564 1.791 6.814 -0.349 1.00 0.00 C ATOM 0 H VAL A 564 3.110 8.710 -2.297 1.00 0.00 H new ATOM 0 HA VAL A 564 1.269 9.412 -0.195 1.00 0.00 H new ATOM 0 HB VAL A 564 3.746 7.659 -0.362 1.00 0.00 H new ATOM 0 HG11 VAL A 564 3.256 6.927 1.935 1.00 0.00 H new ATOM 0 HG12 VAL A 564 3.684 8.653 1.869 1.00 0.00 H new ATOM 0 HG13 VAL A 564 1.983 8.164 2.055 1.00 0.00 H new ATOM 0 HG21 VAL A 564 2.127 5.846 0.023 1.00 0.00 H new ATOM 0 HG22 VAL A 564 0.806 7.038 0.061 1.00 0.00 H new ATOM 0 HG23 VAL A 564 1.733 6.785 -1.437 1.00 0.00 H new ATOM 497 N LEU A 565 2.526 11.049 1.199 1.00 0.00 N ATOM 498 CA LEU A 565 3.202 12.112 1.935 1.00 0.00 C ATOM 499 C LEU A 565 3.674 11.615 3.298 1.00 0.00 C ATOM 500 O LEU A 565 4.743 12.000 3.774 1.00 0.00 O ATOM 501 CB LEU A 565 2.268 13.310 2.111 1.00 0.00 C ATOM 502 CG LEU A 565 1.863 14.039 0.830 1.00 0.00 C ATOM 503 CD1 LEU A 565 0.734 15.020 1.108 1.00 0.00 C ATOM 504 CD2 LEU A 565 3.059 14.759 0.224 1.00 0.00 C ATOM 0 H LEU A 565 1.556 10.897 1.474 1.00 0.00 H new ATOM 0 HA LEU A 565 4.075 12.421 1.360 1.00 0.00 H new ATOM 0 HB2 LEU A 565 1.363 12.969 2.613 1.00 0.00 H new ATOM 0 HB3 LEU A 565 2.750 14.026 2.776 1.00 0.00 H new ATOM 0 HG LEU A 565 1.507 13.300 0.112 1.00 0.00 H new ATOM 0 HD11 LEU A 565 0.459 15.530 0.184 1.00 0.00 H new ATOM 0 HD12 LEU A 565 -0.130 14.480 1.496 1.00 0.00 H new ATOM 0 HD13 LEU A 565 1.063 15.754 1.843 1.00 0.00 H new ATOM 0 HD21 LEU A 565 2.751 15.272 -0.687 1.00 0.00 H new ATOM 0 HD22 LEU A 565 3.445 15.487 0.938 1.00 0.00 H new ATOM 0 HD23 LEU A 565 3.838 14.034 -0.013 1.00 0.00 H new ATOM 516 N TYR A 566 2.873 10.758 3.920 1.00 0.00 N ATOM 517 CA TYR A 566 3.208 10.209 5.228 1.00 0.00 C ATOM 518 C TYR A 566 2.936 8.708 5.275 1.00 0.00 C ATOM 519 O TYR A 566 1.936 8.230 4.740 1.00 0.00 O ATOM 520 CB TYR A 566 2.409 10.918 6.322 1.00 0.00 C ATOM 521 CG TYR A 566 2.712 10.416 7.716 1.00 0.00 C ATOM 522 CD1 TYR A 566 3.996 10.501 8.242 1.00 0.00 C ATOM 523 CD2 TYR A 566 1.716 9.858 8.507 1.00 0.00 C ATOM 524 CE1 TYR A 566 4.278 10.043 9.514 1.00 0.00 C ATOM 525 CE2 TYR A 566 1.988 9.399 9.781 1.00 0.00 C ATOM 526 CZ TYR A 566 3.271 9.493 10.280 1.00 0.00 C ATOM 527 OH TYR A 566 3.547 9.037 11.548 1.00 0.00 O ATOM 0 H TYR A 566 1.986 10.428 3.539 1.00 0.00 H new ATOM 0 HA TYR A 566 4.272 10.373 5.401 1.00 0.00 H new ATOM 0 HB2 TYR A 566 2.617 11.987 6.277 1.00 0.00 H new ATOM 0 HB3 TYR A 566 1.345 10.791 6.123 1.00 0.00 H new ATOM 0 HD1 TYR A 566 4.786 10.933 7.646 1.00 0.00 H new ATOM 0 HD2 TYR A 566 0.711 9.782 8.119 1.00 0.00 H new ATOM 0 HE1 TYR A 566 5.281 10.115 9.907 1.00 0.00 H new ATOM 0 HE2 TYR A 566 1.201 8.969 10.383 1.00 0.00 H new ATOM 0 HH TYR A 566 2.729 8.681 11.953 1.00 0.00 H new ATOM 537 N ALA A 567 3.834 7.971 5.920 1.00 0.00 N ATOM 538 CA ALA A 567 3.691 6.525 6.040 1.00 0.00 C ATOM 539 C ALA A 567 4.448 5.998 7.255 1.00 0.00 C ATOM 540 O ALA A 567 5.675 6.075 7.315 1.00 0.00 O ATOM 541 CB ALA A 567 4.180 5.839 4.773 1.00 0.00 C ATOM 0 H ALA A 567 4.668 8.351 6.367 1.00 0.00 H new ATOM 0 HA ALA A 567 2.633 6.299 6.177 1.00 0.00 H new ATOM 0 HB1 ALA A 567 4.067 4.760 4.877 1.00 0.00 H new ATOM 0 HB2 ALA A 567 3.593 6.185 3.922 1.00 0.00 H new ATOM 0 HB3 ALA A 567 5.231 6.080 4.611 1.00 0.00 H new ATOM 547 N ASP A 568 3.708 5.464 8.220 1.00 0.00 N ATOM 548 CA ASP A 568 4.309 4.923 9.434 1.00 0.00 C ATOM 549 C ASP A 568 3.519 3.721 9.943 1.00 0.00 C ATOM 550 O ASP A 568 2.289 3.712 9.899 1.00 0.00 O ATOM 551 CB ASP A 568 4.378 6.000 10.518 1.00 0.00 C ATOM 552 CG ASP A 568 5.465 5.726 11.538 1.00 0.00 C ATOM 553 OD1 ASP A 568 5.364 4.708 12.255 1.00 0.00 O ATOM 554 OD2 ASP A 568 6.418 6.529 11.619 1.00 0.00 O ATOM 0 H ASP A 568 2.691 5.394 8.186 1.00 0.00 H new ATOM 0 HA ASP A 568 5.320 4.595 9.194 1.00 0.00 H new ATOM 0 HB2 ASP A 568 4.557 6.969 10.052 1.00 0.00 H new ATOM 0 HB3 ASP A 568 3.415 6.063 11.025 1.00 0.00 H new ATOM 559 N ILE A 569 4.235 2.711 10.424 1.00 0.00 N ATOM 560 CA ILE A 569 3.601 1.504 10.941 1.00 0.00 C ATOM 561 C ILE A 569 3.244 1.660 12.416 1.00 0.00 C ATOM 562 O ILE A 569 4.118 1.854 13.261 1.00 0.00 O ATOM 563 CB ILE A 569 4.510 0.273 10.772 1.00 0.00 C ATOM 564 CG1 ILE A 569 4.695 -0.051 9.288 1.00 0.00 C ATOM 565 CG2 ILE A 569 3.928 -0.922 11.512 1.00 0.00 C ATOM 566 CD1 ILE A 569 3.423 -0.499 8.604 1.00 0.00 C ATOM 0 H ILE A 569 5.254 2.704 10.467 1.00 0.00 H new ATOM 0 HA ILE A 569 2.690 1.354 10.362 1.00 0.00 H new ATOM 0 HB ILE A 569 5.486 0.500 11.200 1.00 0.00 H new ATOM 0 HG12 ILE A 569 5.081 0.831 8.777 1.00 0.00 H new ATOM 0 HG13 ILE A 569 5.447 -0.833 9.186 1.00 0.00 H new ATOM 0 HG21 ILE A 569 4.582 -1.784 11.383 1.00 0.00 H new ATOM 0 HG22 ILE A 569 3.843 -0.687 12.573 1.00 0.00 H new ATOM 0 HG23 ILE A 569 2.941 -1.153 11.111 1.00 0.00 H new ATOM 0 HD11 ILE A 569 3.629 -0.711 7.555 1.00 0.00 H new ATOM 0 HD12 ILE A 569 3.047 -1.400 9.089 1.00 0.00 H new ATOM 0 HD13 ILE A 569 2.675 0.291 8.674 1.00 0.00 H new ATOM 578 N LYS A 570 1.953 1.572 12.719 1.00 0.00 N ATOM 579 CA LYS A 570 1.478 1.699 14.091 1.00 0.00 C ATOM 580 C LYS A 570 1.854 0.470 14.913 1.00 0.00 C ATOM 581 O LYS A 570 0.987 -0.292 15.339 1.00 0.00 O ATOM 582 CB LYS A 570 -0.039 1.895 14.112 1.00 0.00 C ATOM 583 CG LYS A 570 -0.483 3.264 13.628 1.00 0.00 C ATOM 584 CD LYS A 570 -0.128 4.351 14.629 1.00 0.00 C ATOM 585 CE LYS A 570 -0.263 5.737 14.017 1.00 0.00 C ATOM 586 NZ LYS A 570 0.832 6.026 13.050 1.00 0.00 N ATOM 0 H LYS A 570 1.217 1.413 12.031 1.00 0.00 H new ATOM 0 HA LYS A 570 1.957 2.572 14.535 1.00 0.00 H new ATOM 0 HB2 LYS A 570 -0.504 1.131 13.490 1.00 0.00 H new ATOM 0 HB3 LYS A 570 -0.402 1.743 15.128 1.00 0.00 H new ATOM 0 HG2 LYS A 570 -0.012 3.483 12.670 1.00 0.00 H new ATOM 0 HG3 LYS A 570 -1.560 3.260 13.460 1.00 0.00 H new ATOM 0 HD2 LYS A 570 -0.778 4.272 15.500 1.00 0.00 H new ATOM 0 HD3 LYS A 570 0.894 4.205 14.980 1.00 0.00 H new ATOM 0 HE2 LYS A 570 -1.225 5.818 13.511 1.00 0.00 H new ATOM 0 HE3 LYS A 570 -0.255 6.486 14.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 570 0.794 7.027 12.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 570 1.750 5.826 13.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 570 0.718 5.427 12.207 1.00 0.00 H new ATOM 686 N LYS A 577 1.645 -4.270 14.878 1.00 0.00 N ATOM 687 CA LYS A 577 0.303 -4.720 15.228 1.00 0.00 C ATOM 688 C LYS A 577 -0.585 -4.796 13.990 1.00 0.00 C ATOM 689 O LYS A 577 -1.811 -4.782 14.092 1.00 0.00 O ATOM 690 CB LYS A 577 -0.321 -3.778 16.260 1.00 0.00 C ATOM 691 CG LYS A 577 0.560 -3.533 17.472 1.00 0.00 C ATOM 692 CD LYS A 577 0.230 -4.492 18.604 1.00 0.00 C ATOM 693 CE LYS A 577 1.049 -5.770 18.509 1.00 0.00 C ATOM 694 NZ LYS A 577 0.529 -6.830 19.416 1.00 0.00 N ATOM 0 HA LYS A 577 0.382 -5.718 15.659 1.00 0.00 H new ATOM 0 HB2 LYS A 577 -0.540 -2.823 15.782 1.00 0.00 H new ATOM 0 HB3 LYS A 577 -1.272 -4.195 16.591 1.00 0.00 H new ATOM 0 HG2 LYS A 577 1.607 -3.647 17.191 1.00 0.00 H new ATOM 0 HG3 LYS A 577 0.432 -2.506 17.815 1.00 0.00 H new ATOM 0 HD2 LYS A 577 0.421 -4.006 19.561 1.00 0.00 H new ATOM 0 HD3 LYS A 577 -0.832 -4.736 18.577 1.00 0.00 H new ATOM 0 HE2 LYS A 577 1.037 -6.133 17.481 1.00 0.00 H new ATOM 0 HE3 LYS A 577 2.088 -5.555 18.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 577 1.114 -7.685 19.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 577 0.564 -6.493 20.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 577 -0.454 -7.053 19.161 1.00 0.00 H new ATOM 708 N GLY A 578 0.043 -4.879 12.821 1.00 0.00 N ATOM 709 CA GLY A 578 -0.707 -4.958 11.581 1.00 0.00 C ATOM 710 C GLY A 578 -1.653 -3.788 11.400 1.00 0.00 C ATOM 711 O GLY A 578 -2.850 -3.978 11.180 1.00 0.00 O ATOM 0 H GLY A 578 1.057 -4.893 12.711 1.00 0.00 H new ATOM 0 HA2 GLY A 578 -0.013 -4.993 10.742 1.00 0.00 H new ATOM 0 HA3 GLY A 578 -1.276 -5.887 11.563 1.00 0.00 H new ATOM 715 N CYS A 579 -1.118 -2.576 11.494 1.00 0.00 N ATOM 716 CA CYS A 579 -1.924 -1.370 11.342 1.00 0.00 C ATOM 717 C CYS A 579 -1.044 -0.163 11.037 1.00 0.00 C ATOM 718 O CYS A 579 0.072 -0.051 11.543 1.00 0.00 O ATOM 719 CB CYS A 579 -2.741 -1.114 12.609 1.00 0.00 C ATOM 720 SG CYS A 579 -1.756 -1.064 14.125 1.00 0.00 S ATOM 0 H CYS A 579 -0.129 -2.402 11.675 1.00 0.00 H new ATOM 0 HA CYS A 579 -2.605 -1.521 10.504 1.00 0.00 H new ATOM 0 HB2 CYS A 579 -3.271 -0.168 12.502 1.00 0.00 H new ATOM 0 HB3 CYS A 579 -3.497 -1.894 12.705 1.00 0.00 H new ATOM 0 HG CYS A 579 -2.535 -0.840 15.141 1.00 0.00 H new ATOM 726 N GLY A 580 -1.554 0.740 10.204 1.00 0.00 N ATOM 727 CA GLY A 580 -0.800 1.927 9.845 1.00 0.00 C ATOM 728 C GLY A 580 -1.657 2.973 9.161 1.00 0.00 C ATOM 729 O GLY A 580 -2.862 2.786 8.992 1.00 0.00 O ATOM 0 H GLY A 580 -2.475 0.670 9.772 1.00 0.00 H new ATOM 0 HA2 GLY A 580 -0.355 2.356 10.743 1.00 0.00 H new ATOM 0 HA3 GLY A 580 0.021 1.646 9.185 1.00 0.00 H new ATOM 733 N VAL A 581 -1.035 4.080 8.766 1.00 0.00 N ATOM 734 CA VAL A 581 -1.749 5.161 8.097 1.00 0.00 C ATOM 735 C VAL A 581 -0.998 5.630 6.856 1.00 0.00 C ATOM 736 O VAL A 581 0.222 5.495 6.767 1.00 0.00 O ATOM 737 CB VAL A 581 -1.962 6.361 9.039 1.00 0.00 C ATOM 738 CG1 VAL A 581 -3.133 6.104 9.976 1.00 0.00 C ATOM 739 CG2 VAL A 581 -0.693 6.651 9.826 1.00 0.00 C ATOM 0 H VAL A 581 -0.038 4.251 8.898 1.00 0.00 H new ATOM 0 HA VAL A 581 -2.720 4.764 7.802 1.00 0.00 H new ATOM 0 HB VAL A 581 -2.197 7.238 8.435 1.00 0.00 H new ATOM 0 HG11 VAL A 581 -3.268 6.963 10.634 1.00 0.00 H new ATOM 0 HG12 VAL A 581 -4.040 5.949 9.391 1.00 0.00 H new ATOM 0 HG13 VAL A 581 -2.931 5.216 10.575 1.00 0.00 H new ATOM 0 HG21 VAL A 581 -0.861 7.502 10.487 1.00 0.00 H new ATOM 0 HG22 VAL A 581 -0.426 5.777 10.420 1.00 0.00 H new ATOM 0 HG23 VAL A 581 0.118 6.882 9.136 1.00 0.00 H new ATOM 749 N VAL A 582 -1.736 6.183 5.898 1.00 0.00 N ATOM 750 CA VAL A 582 -1.140 6.674 4.662 1.00 0.00 C ATOM 751 C VAL A 582 -1.822 7.955 4.194 1.00 0.00 C ATOM 752 O VAL A 582 -3.042 8.001 4.037 1.00 0.00 O ATOM 753 CB VAL A 582 -1.226 5.621 3.541 1.00 0.00 C ATOM 754 CG1 VAL A 582 -0.740 6.204 2.222 1.00 0.00 C ATOM 755 CG2 VAL A 582 -0.426 4.382 3.912 1.00 0.00 C ATOM 0 H VAL A 582 -2.747 6.302 5.955 1.00 0.00 H new ATOM 0 HA VAL A 582 -0.092 6.881 4.876 1.00 0.00 H new ATOM 0 HB VAL A 582 -2.269 5.329 3.420 1.00 0.00 H new ATOM 0 HG11 VAL A 582 -0.808 5.446 1.442 1.00 0.00 H new ATOM 0 HG12 VAL A 582 -1.360 7.059 1.952 1.00 0.00 H new ATOM 0 HG13 VAL A 582 0.296 6.525 2.326 1.00 0.00 H new ATOM 0 HG21 VAL A 582 -0.498 3.649 3.109 1.00 0.00 H new ATOM 0 HG22 VAL A 582 0.619 4.655 4.062 1.00 0.00 H new ATOM 0 HG23 VAL A 582 -0.825 3.953 4.831 1.00 0.00 H new ATOM 765 N LYS A 583 -1.026 8.995 3.972 1.00 0.00 N ATOM 766 CA LYS A 583 -1.550 10.279 3.521 1.00 0.00 C ATOM 767 C LYS A 583 -1.281 10.483 2.033 1.00 0.00 C ATOM 768 O LYS A 583 -0.290 9.987 1.497 1.00 0.00 O ATOM 769 CB LYS A 583 -0.925 11.420 4.325 1.00 0.00 C ATOM 770 CG LYS A 583 -1.726 11.808 5.555 1.00 0.00 C ATOM 771 CD LYS A 583 -1.578 10.780 6.664 1.00 0.00 C ATOM 772 CE LYS A 583 -1.742 11.414 8.037 1.00 0.00 C ATOM 773 NZ LYS A 583 -2.205 10.427 9.052 1.00 0.00 N ATOM 0 H LYS A 583 -0.014 8.974 4.097 1.00 0.00 H new ATOM 0 HA LYS A 583 -2.628 10.280 3.681 1.00 0.00 H new ATOM 0 HB2 LYS A 583 0.079 11.129 4.633 1.00 0.00 H new ATOM 0 HB3 LYS A 583 -0.820 12.292 3.680 1.00 0.00 H new ATOM 0 HG2 LYS A 583 -1.394 12.782 5.914 1.00 0.00 H new ATOM 0 HG3 LYS A 583 -2.778 11.908 5.288 1.00 0.00 H new ATOM 0 HD2 LYS A 583 -2.321 9.993 6.534 1.00 0.00 H new ATOM 0 HD3 LYS A 583 -0.598 10.307 6.595 1.00 0.00 H new ATOM 0 HE2 LYS A 583 -0.792 11.843 8.355 1.00 0.00 H new ATOM 0 HE3 LYS A 583 -2.457 12.234 7.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 583 -2.305 10.898 9.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 583 -3.124 10.036 8.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 583 -1.510 9.657 9.130 1.00 0.00 H new ATOM 787 N PHE A 584 -2.169 11.218 1.372 1.00 0.00 N ATOM 788 CA PHE A 584 -2.027 11.489 -0.054 1.00 0.00 C ATOM 789 C PHE A 584 -2.076 12.989 -0.331 1.00 0.00 C ATOM 790 O PHE A 584 -2.390 13.783 0.555 1.00 0.00 O ATOM 791 CB PHE A 584 -3.128 10.777 -0.843 1.00 0.00 C ATOM 792 CG PHE A 584 -3.021 9.280 -0.804 1.00 0.00 C ATOM 793 CD1 PHE A 584 -2.218 8.606 -1.709 1.00 0.00 C ATOM 794 CD2 PHE A 584 -3.724 8.546 0.137 1.00 0.00 C ATOM 795 CE1 PHE A 584 -2.116 7.228 -1.676 1.00 0.00 C ATOM 796 CE2 PHE A 584 -3.627 7.168 0.176 1.00 0.00 C ATOM 797 CZ PHE A 584 -2.823 6.508 -0.733 1.00 0.00 C ATOM 0 H PHE A 584 -2.994 11.637 1.801 1.00 0.00 H new ATOM 0 HA PHE A 584 -1.057 11.110 -0.375 1.00 0.00 H new ATOM 0 HB2 PHE A 584 -4.099 11.074 -0.446 1.00 0.00 H new ATOM 0 HB3 PHE A 584 -3.093 11.109 -1.881 1.00 0.00 H new ATOM 0 HD1 PHE A 584 -1.665 9.164 -2.450 1.00 0.00 H new ATOM 0 HD2 PHE A 584 -4.356 9.057 0.849 1.00 0.00 H new ATOM 0 HE1 PHE A 584 -1.485 6.715 -2.386 1.00 0.00 H new ATOM 0 HE2 PHE A 584 -4.179 6.608 0.916 1.00 0.00 H new ATOM 0 HZ PHE A 584 -2.747 5.431 -0.706 1.00 0.00 H new ATOM 807 N GLU A 585 -1.762 13.367 -1.566 1.00 0.00 N ATOM 808 CA GLU A 585 -1.769 14.772 -1.958 1.00 0.00 C ATOM 809 C GLU A 585 -3.198 15.290 -2.099 1.00 0.00 C ATOM 810 O GLU A 585 -3.508 16.406 -1.681 1.00 0.00 O ATOM 811 CB GLU A 585 -1.015 14.959 -3.277 1.00 0.00 C ATOM 812 CG GLU A 585 0.476 15.188 -3.098 1.00 0.00 C ATOM 813 CD GLU A 585 1.158 15.619 -4.381 1.00 0.00 C ATOM 814 OE1 GLU A 585 0.688 16.594 -5.004 1.00 0.00 O ATOM 815 OE2 GLU A 585 2.162 14.981 -4.763 1.00 0.00 O ATOM 0 H GLU A 585 -1.500 12.722 -2.311 1.00 0.00 H new ATOM 0 HA GLU A 585 -1.269 15.344 -1.177 1.00 0.00 H new ATOM 0 HB2 GLU A 585 -1.166 14.078 -3.900 1.00 0.00 H new ATOM 0 HB3 GLU A 585 -1.442 15.806 -3.813 1.00 0.00 H new ATOM 0 HG2 GLU A 585 0.634 15.949 -2.334 1.00 0.00 H new ATOM 0 HG3 GLU A 585 0.940 14.271 -2.735 1.00 0.00 H new ATOM 822 N SER A 586 -4.063 14.473 -2.690 1.00 0.00 N ATOM 823 CA SER A 586 -5.457 14.850 -2.889 1.00 0.00 C ATOM 824 C SER A 586 -6.387 13.922 -2.113 1.00 0.00 C ATOM 825 O SER A 586 -6.044 12.784 -1.791 1.00 0.00 O ATOM 826 CB SER A 586 -5.809 14.814 -4.378 1.00 0.00 C ATOM 827 OG SER A 586 -5.385 15.998 -5.031 1.00 0.00 O ATOM 0 H SER A 586 -3.823 13.545 -3.040 1.00 0.00 H new ATOM 0 HA SER A 586 -5.590 15.865 -2.515 1.00 0.00 H new ATOM 0 HB2 SER A 586 -5.339 13.949 -4.845 1.00 0.00 H new ATOM 0 HB3 SER A 586 -6.886 14.695 -4.498 1.00 0.00 H new ATOM 0 HG SER A 586 -5.620 15.950 -5.981 1.00 0.00 H new ATOM 833 N PRO A 587 -7.594 14.419 -1.804 1.00 0.00 N ATOM 834 CA PRO A 587 -8.600 13.653 -1.062 1.00 0.00 C ATOM 835 C PRO A 587 -9.174 12.503 -1.883 1.00 0.00 C ATOM 836 O PRO A 587 -9.506 11.449 -1.343 1.00 0.00 O ATOM 837 CB PRO A 587 -9.684 14.689 -0.761 1.00 0.00 C ATOM 838 CG PRO A 587 -9.538 15.714 -1.832 1.00 0.00 C ATOM 839 CD PRO A 587 -8.070 15.767 -2.156 1.00 0.00 C ATOM 0 HA PRO A 587 -8.181 13.185 -0.171 1.00 0.00 H new ATOM 0 HB2 PRO A 587 -10.677 14.239 -0.777 1.00 0.00 H new ATOM 0 HB3 PRO A 587 -9.548 15.128 0.228 1.00 0.00 H new ATOM 0 HG2 PRO A 587 -10.123 15.445 -2.712 1.00 0.00 H new ATOM 0 HG3 PRO A 587 -9.899 16.686 -1.494 1.00 0.00 H new ATOM 0 HD2 PRO A 587 -7.899 15.991 -3.209 1.00 0.00 H new ATOM 0 HD3 PRO A 587 -7.559 16.537 -1.579 1.00 0.00 H new ATOM 847 N GLU A 588 -9.288 12.715 -3.191 1.00 0.00 N ATOM 848 CA GLU A 588 -9.824 11.696 -4.085 1.00 0.00 C ATOM 849 C GLU A 588 -8.907 10.477 -4.132 1.00 0.00 C ATOM 850 O GLU A 588 -9.372 9.338 -4.189 1.00 0.00 O ATOM 851 CB GLU A 588 -10.005 12.265 -5.494 1.00 0.00 C ATOM 852 CG GLU A 588 -10.518 11.249 -6.500 1.00 0.00 C ATOM 853 CD GLU A 588 -11.718 10.476 -5.989 1.00 0.00 C ATOM 854 OE1 GLU A 588 -12.748 11.112 -5.684 1.00 0.00 O ATOM 855 OE2 GLU A 588 -11.626 9.234 -5.893 1.00 0.00 O ATOM 0 H GLU A 588 -9.017 13.582 -3.654 1.00 0.00 H new ATOM 0 HA GLU A 588 -10.795 11.385 -3.699 1.00 0.00 H new ATOM 0 HB2 GLU A 588 -10.700 13.104 -5.451 1.00 0.00 H new ATOM 0 HB3 GLU A 588 -9.050 12.659 -5.843 1.00 0.00 H new ATOM 0 HG2 GLU A 588 -10.787 11.762 -7.423 1.00 0.00 H new ATOM 0 HG3 GLU A 588 -9.718 10.550 -6.745 1.00 0.00 H new ATOM 862 N VAL A 589 -7.601 10.724 -4.106 1.00 0.00 N ATOM 863 CA VAL A 589 -6.618 9.648 -4.145 1.00 0.00 C ATOM 864 C VAL A 589 -6.662 8.818 -2.867 1.00 0.00 C ATOM 865 O VAL A 589 -6.429 7.610 -2.891 1.00 0.00 O ATOM 866 CB VAL A 589 -5.192 10.197 -4.338 1.00 0.00 C ATOM 867 CG1 VAL A 589 -4.197 9.057 -4.492 1.00 0.00 C ATOM 868 CG2 VAL A 589 -5.139 11.128 -5.541 1.00 0.00 C ATOM 0 H VAL A 589 -7.199 11.660 -4.058 1.00 0.00 H new ATOM 0 HA VAL A 589 -6.874 9.016 -4.995 1.00 0.00 H new ATOM 0 HB VAL A 589 -4.918 10.769 -3.451 1.00 0.00 H new ATOM 0 HG11 VAL A 589 -3.195 9.464 -4.627 1.00 0.00 H new ATOM 0 HG12 VAL A 589 -4.217 8.433 -3.598 1.00 0.00 H new ATOM 0 HG13 VAL A 589 -4.464 8.455 -5.361 1.00 0.00 H new ATOM 0 HG21 VAL A 589 -4.124 11.507 -5.663 1.00 0.00 H new ATOM 0 HG22 VAL A 589 -5.433 10.581 -6.437 1.00 0.00 H new ATOM 0 HG23 VAL A 589 -5.822 11.963 -5.385 1.00 0.00 H new ATOM 878 N ALA A 590 -6.962 9.475 -1.751 1.00 0.00 N ATOM 879 CA ALA A 590 -7.039 8.797 -0.463 1.00 0.00 C ATOM 880 C ALA A 590 -8.130 7.731 -0.468 1.00 0.00 C ATOM 881 O ALA A 590 -7.879 6.572 -0.139 1.00 0.00 O ATOM 882 CB ALA A 590 -7.288 9.804 0.650 1.00 0.00 C ATOM 0 H ALA A 590 -7.156 10.476 -1.713 1.00 0.00 H new ATOM 0 HA ALA A 590 -6.084 8.302 -0.283 1.00 0.00 H new ATOM 0 HB1 ALA A 590 -7.343 9.283 1.606 1.00 0.00 H new ATOM 0 HB2 ALA A 590 -6.472 10.526 0.677 1.00 0.00 H new ATOM 0 HB3 ALA A 590 -8.228 10.325 0.466 1.00 0.00 H new ATOM 888 N GLU A 591 -9.341 8.132 -0.842 1.00 0.00 N ATOM 889 CA GLU A 591 -10.470 7.211 -0.887 1.00 0.00 C ATOM 890 C GLU A 591 -10.316 6.217 -2.035 1.00 0.00 C ATOM 891 O GLU A 591 -10.861 5.114 -1.993 1.00 0.00 O ATOM 892 CB GLU A 591 -11.782 7.983 -1.039 1.00 0.00 C ATOM 893 CG GLU A 591 -12.179 8.230 -2.485 1.00 0.00 C ATOM 894 CD GLU A 591 -13.129 9.402 -2.637 1.00 0.00 C ATOM 895 OE1 GLU A 591 -12.956 10.403 -1.911 1.00 0.00 O ATOM 896 OE2 GLU A 591 -14.045 9.318 -3.482 1.00 0.00 O ATOM 0 H GLU A 591 -9.565 9.088 -1.118 1.00 0.00 H new ATOM 0 HA GLU A 591 -10.490 6.656 0.051 1.00 0.00 H new ATOM 0 HB2 GLU A 591 -12.579 7.430 -0.542 1.00 0.00 H new ATOM 0 HB3 GLU A 591 -11.691 8.941 -0.527 1.00 0.00 H new ATOM 0 HG2 GLU A 591 -11.283 8.414 -3.077 1.00 0.00 H new ATOM 0 HG3 GLU A 591 -12.648 7.332 -2.887 1.00 0.00 H new ATOM 903 N ARG A 592 -9.570 6.618 -3.060 1.00 0.00 N ATOM 904 CA ARG A 592 -9.345 5.764 -4.220 1.00 0.00 C ATOM 905 C ARG A 592 -8.488 4.558 -3.850 1.00 0.00 C ATOM 906 O ARG A 592 -8.772 3.433 -4.260 1.00 0.00 O ATOM 907 CB ARG A 592 -8.671 6.558 -5.341 1.00 0.00 C ATOM 908 CG ARG A 592 -8.208 5.697 -6.504 1.00 0.00 C ATOM 909 CD ARG A 592 -7.239 6.449 -7.403 1.00 0.00 C ATOM 910 NE ARG A 592 -7.934 7.240 -8.415 1.00 0.00 N ATOM 911 CZ ARG A 592 -8.350 6.747 -9.577 1.00 0.00 C ATOM 912 NH1 ARG A 592 -8.141 5.471 -9.871 1.00 0.00 N ATOM 913 NH2 ARG A 592 -8.975 7.530 -10.446 1.00 0.00 N ATOM 0 H ARG A 592 -9.112 7.528 -3.110 1.00 0.00 H new ATOM 0 HA ARG A 592 -10.313 5.406 -4.569 1.00 0.00 H new ATOM 0 HB2 ARG A 592 -9.368 7.310 -5.712 1.00 0.00 H new ATOM 0 HB3 ARG A 592 -7.814 7.092 -4.932 1.00 0.00 H new ATOM 0 HG2 ARG A 592 -7.727 4.796 -6.122 1.00 0.00 H new ATOM 0 HG3 ARG A 592 -9.071 5.375 -7.086 1.00 0.00 H new ATOM 0 HD2 ARG A 592 -6.615 7.105 -6.796 1.00 0.00 H new ATOM 0 HD3 ARG A 592 -6.573 5.739 -7.892 1.00 0.00 H new ATOM 0 HE ARG A 592 -8.110 8.225 -8.219 1.00 0.00 H new ATOM 0 HH11 ARG A 592 -7.660 4.866 -9.205 1.00 0.00 H new ATOM 0 HH12 ARG A 592 -8.461 5.094 -10.763 1.00 0.00 H new ATOM 0 HH21 ARG A 592 -9.137 8.512 -10.223 1.00 0.00 H new ATOM 0 HH22 ARG A 592 -9.294 7.150 -11.337 1.00 0.00 H new ATOM 927 N ALA A 593 -7.438 4.801 -3.072 1.00 0.00 N ATOM 928 CA ALA A 593 -6.540 3.734 -2.646 1.00 0.00 C ATOM 929 C ALA A 593 -7.263 2.733 -1.751 1.00 0.00 C ATOM 930 O ALA A 593 -6.870 1.570 -1.662 1.00 0.00 O ATOM 931 CB ALA A 593 -5.334 4.317 -1.923 1.00 0.00 C ATOM 0 H ALA A 593 -7.188 5.727 -2.724 1.00 0.00 H new ATOM 0 HA ALA A 593 -6.196 3.205 -3.535 1.00 0.00 H new ATOM 0 HB1 ALA A 593 -4.672 3.510 -1.610 1.00 0.00 H new ATOM 0 HB2 ALA A 593 -4.797 4.988 -2.594 1.00 0.00 H new ATOM 0 HB3 ALA A 593 -5.668 4.872 -1.046 1.00 0.00 H new ATOM 937 N CYS A 594 -8.320 3.193 -1.091 1.00 0.00 N ATOM 938 CA CYS A 594 -9.097 2.337 -0.201 1.00 0.00 C ATOM 939 C CYS A 594 -9.818 1.248 -0.988 1.00 0.00 C ATOM 940 O CYS A 594 -9.698 0.062 -0.678 1.00 0.00 O ATOM 941 CB CYS A 594 -10.109 3.170 0.586 1.00 0.00 C ATOM 942 SG CYS A 594 -9.364 4.289 1.795 1.00 0.00 S ATOM 0 H CYS A 594 -8.659 4.153 -1.155 1.00 0.00 H new ATOM 0 HA CYS A 594 -8.409 1.860 0.497 1.00 0.00 H new ATOM 0 HB2 CYS A 594 -10.705 3.754 -0.115 1.00 0.00 H new ATOM 0 HB3 CYS A 594 -10.793 2.497 1.103 1.00 0.00 H new ATOM 0 HG CYS A 594 -8.829 5.301 1.178 1.00 0.00 H new ATOM 948 N ARG A 595 -10.568 1.658 -2.005 1.00 0.00 N ATOM 949 CA ARG A 595 -11.311 0.717 -2.835 1.00 0.00 C ATOM 950 C ARG A 595 -10.368 -0.271 -3.516 1.00 0.00 C ATOM 951 O ARG A 595 -10.648 -1.467 -3.581 1.00 0.00 O ATOM 952 CB ARG A 595 -12.128 1.467 -3.888 1.00 0.00 C ATOM 953 CG ARG A 595 -13.142 2.433 -3.297 1.00 0.00 C ATOM 954 CD ARG A 595 -13.387 3.616 -4.221 1.00 0.00 C ATOM 955 NE ARG A 595 -14.336 3.294 -5.284 1.00 0.00 N ATOM 956 CZ ARG A 595 -14.497 4.034 -6.375 1.00 0.00 C ATOM 957 NH1 ARG A 595 -13.776 5.133 -6.546 1.00 0.00 N ATOM 958 NH2 ARG A 595 -15.380 3.675 -7.297 1.00 0.00 N ATOM 0 H ARG A 595 -10.678 2.636 -2.274 1.00 0.00 H new ATOM 0 HA ARG A 595 -11.989 0.159 -2.189 1.00 0.00 H new ATOM 0 HB2 ARG A 595 -11.449 2.019 -4.538 1.00 0.00 H new ATOM 0 HB3 ARG A 595 -12.650 0.743 -4.514 1.00 0.00 H new ATOM 0 HG2 ARG A 595 -14.081 1.911 -3.116 1.00 0.00 H new ATOM 0 HG3 ARG A 595 -12.785 2.792 -2.332 1.00 0.00 H new ATOM 0 HD2 ARG A 595 -13.765 4.457 -3.640 1.00 0.00 H new ATOM 0 HD3 ARG A 595 -12.442 3.933 -4.663 1.00 0.00 H new ATOM 0 HE ARG A 595 -14.906 2.455 -5.183 1.00 0.00 H new ATOM 0 HH11 ARG A 595 -13.096 5.412 -5.839 1.00 0.00 H new ATOM 0 HH12 ARG A 595 -13.901 5.700 -7.385 1.00 0.00 H new ATOM 0 HH21 ARG A 595 -15.936 2.830 -7.169 1.00 0.00 H new ATOM 0 HH22 ARG A 595 -15.503 4.244 -8.135 1.00 0.00 H new ATOM 972 N MET A 596 -9.249 0.240 -4.021 1.00 0.00 N ATOM 973 CA MET A 596 -8.265 -0.597 -4.696 1.00 0.00 C ATOM 974 C MET A 596 -7.557 -1.514 -3.703 1.00 0.00 C ATOM 975 O MET A 596 -7.392 -2.707 -3.955 1.00 0.00 O ATOM 976 CB MET A 596 -7.238 0.272 -5.425 1.00 0.00 C ATOM 977 CG MET A 596 -7.845 1.150 -6.508 1.00 0.00 C ATOM 978 SD MET A 596 -6.666 1.567 -7.807 1.00 0.00 S ATOM 979 CE MET A 596 -5.329 2.263 -6.839 1.00 0.00 C ATOM 0 H MET A 596 -9.002 1.229 -3.975 1.00 0.00 H new ATOM 0 HA MET A 596 -8.790 -1.215 -5.424 1.00 0.00 H new ATOM 0 HB2 MET A 596 -6.729 0.905 -4.698 1.00 0.00 H new ATOM 0 HB3 MET A 596 -6.481 -0.372 -5.873 1.00 0.00 H new ATOM 0 HG2 MET A 596 -8.699 0.637 -6.949 1.00 0.00 H new ATOM 0 HG3 MET A 596 -8.222 2.068 -6.057 1.00 0.00 H new ATOM 0 HE1 MET A 596 -4.761 2.962 -7.453 1.00 0.00 H new ATOM 0 HE2 MET A 596 -5.739 2.788 -5.977 1.00 0.00 H new ATOM 0 HE3 MET A 596 -4.672 1.463 -6.497 1.00 0.00 H new ATOM 989 N MET A 597 -7.143 -0.948 -2.574 1.00 0.00 N ATOM 990 CA MET A 597 -6.454 -1.716 -1.543 1.00 0.00 C ATOM 991 C MET A 597 -7.443 -2.549 -0.734 1.00 0.00 C ATOM 992 O MET A 597 -7.435 -3.778 -0.802 1.00 0.00 O ATOM 993 CB MET A 597 -5.678 -0.781 -0.614 1.00 0.00 C ATOM 994 CG MET A 597 -4.509 -0.084 -1.291 1.00 0.00 C ATOM 995 SD MET A 597 -3.454 -1.225 -2.204 1.00 0.00 S ATOM 996 CE MET A 597 -1.882 -0.370 -2.125 1.00 0.00 C ATOM 0 H MET A 597 -7.272 0.039 -2.350 1.00 0.00 H new ATOM 0 HA MET A 597 -5.754 -2.391 -2.035 1.00 0.00 H new ATOM 0 HB2 MET A 597 -6.359 -0.028 -0.218 1.00 0.00 H new ATOM 0 HB3 MET A 597 -5.306 -1.353 0.236 1.00 0.00 H new ATOM 0 HG2 MET A 597 -4.890 0.677 -1.972 1.00 0.00 H new ATOM 0 HG3 MET A 597 -3.913 0.432 -0.538 1.00 0.00 H new ATOM 0 HE1 MET A 597 -1.169 -0.856 -2.791 1.00 0.00 H new ATOM 0 HE2 MET A 597 -2.016 0.667 -2.432 1.00 0.00 H new ATOM 0 HE3 MET A 597 -1.502 -0.400 -1.104 1.00 0.00 H new ATOM 1006 N ASN A 598 -8.294 -1.873 0.030 1.00 0.00 N ATOM 1007 CA ASN A 598 -9.289 -2.552 0.853 1.00 0.00 C ATOM 1008 C ASN A 598 -9.788 -3.820 0.167 1.00 0.00 C ATOM 1009 O ASN A 598 -10.629 -3.764 -0.729 1.00 0.00 O ATOM 1010 CB ASN A 598 -10.466 -1.618 1.141 1.00 0.00 C ATOM 1011 CG ASN A 598 -11.406 -2.180 2.190 1.00 0.00 C ATOM 1012 OD1 ASN A 598 -11.483 -3.393 2.385 1.00 0.00 O ATOM 1013 ND2 ASN A 598 -12.128 -1.297 2.871 1.00 0.00 N ATOM 0 H ASN A 598 -8.315 -0.855 0.097 1.00 0.00 H new ATOM 0 HA ASN A 598 -8.816 -2.831 1.795 1.00 0.00 H new ATOM 0 HB2 ASN A 598 -10.087 -0.653 1.476 1.00 0.00 H new ATOM 0 HB3 ASN A 598 -11.019 -1.440 0.219 1.00 0.00 H new ATOM 0 HD21 ASN A 598 -12.779 -1.616 3.589 1.00 0.00 H new ATOM 0 HD22 ASN A 598 -12.032 -0.300 2.676 1.00 0.00 H new ATOM 1020 N GLY A 599 -9.263 -4.964 0.595 1.00 0.00 N ATOM 1021 CA GLY A 599 -9.667 -6.230 0.012 1.00 0.00 C ATOM 1022 C GLY A 599 -8.500 -6.994 -0.582 1.00 0.00 C ATOM 1023 O GLY A 599 -8.691 -7.992 -1.275 1.00 0.00 O ATOM 0 H GLY A 599 -8.565 -5.037 1.335 1.00 0.00 H new ATOM 0 HA2 GLY A 599 -10.146 -6.842 0.776 1.00 0.00 H new ATOM 0 HA3 GLY A 599 -10.411 -6.048 -0.764 1.00 0.00 H new ATOM 1027 N MET A 600 -7.287 -6.523 -0.310 1.00 0.00 N ATOM 1028 CA MET A 600 -6.084 -7.168 -0.823 1.00 0.00 C ATOM 1029 C MET A 600 -5.439 -8.045 0.246 1.00 0.00 C ATOM 1030 O MET A 600 -5.151 -7.583 1.350 1.00 0.00 O ATOM 1031 CB MET A 600 -5.084 -6.118 -1.310 1.00 0.00 C ATOM 1032 CG MET A 600 -4.355 -5.405 -0.184 1.00 0.00 C ATOM 1033 SD MET A 600 -3.279 -4.086 -0.778 1.00 0.00 S ATOM 1034 CE MET A 600 -2.245 -3.819 0.660 1.00 0.00 C ATOM 0 H MET A 600 -7.111 -5.697 0.263 1.00 0.00 H new ATOM 0 HA MET A 600 -6.372 -7.801 -1.662 1.00 0.00 H new ATOM 0 HB2 MET A 600 -4.352 -6.599 -1.959 1.00 0.00 H new ATOM 0 HB3 MET A 600 -5.610 -5.380 -1.916 1.00 0.00 H new ATOM 0 HG2 MET A 600 -5.085 -4.988 0.510 1.00 0.00 H new ATOM 0 HG3 MET A 600 -3.762 -6.129 0.375 1.00 0.00 H new ATOM 0 HE1 MET A 600 -1.200 -3.775 0.354 1.00 0.00 H new ATOM 0 HE2 MET A 600 -2.523 -2.880 1.139 1.00 0.00 H new ATOM 0 HE3 MET A 600 -2.382 -4.640 1.364 1.00 0.00 H new ATOM 1044 N LYS A 601 -5.216 -9.311 -0.089 1.00 0.00 N ATOM 1045 CA LYS A 601 -4.604 -10.252 0.841 1.00 0.00 C ATOM 1046 C LYS A 601 -3.083 -10.213 0.733 1.00 0.00 C ATOM 1047 O LYS A 601 -2.498 -10.819 -0.166 1.00 0.00 O ATOM 1048 CB LYS A 601 -5.109 -11.671 0.569 1.00 0.00 C ATOM 1049 CG LYS A 601 -6.547 -11.898 1.002 1.00 0.00 C ATOM 1050 CD LYS A 601 -6.830 -13.371 1.246 1.00 0.00 C ATOM 1051 CE LYS A 601 -8.117 -13.569 2.032 1.00 0.00 C ATOM 1052 NZ LYS A 601 -9.319 -13.239 1.218 1.00 0.00 N ATOM 0 H LYS A 601 -5.450 -9.709 -0.998 1.00 0.00 H new ATOM 0 HA LYS A 601 -4.886 -9.960 1.852 1.00 0.00 H new ATOM 0 HB2 LYS A 601 -5.022 -11.881 -0.497 1.00 0.00 H new ATOM 0 HB3 LYS A 601 -4.466 -12.382 1.087 1.00 0.00 H new ATOM 0 HG2 LYS A 601 -6.748 -11.332 1.912 1.00 0.00 H new ATOM 0 HG3 LYS A 601 -7.223 -11.519 0.236 1.00 0.00 H new ATOM 0 HD2 LYS A 601 -6.902 -13.892 0.291 1.00 0.00 H new ATOM 0 HD3 LYS A 601 -5.998 -13.817 1.790 1.00 0.00 H new ATOM 0 HE2 LYS A 601 -8.180 -14.603 2.371 1.00 0.00 H new ATOM 0 HE3 LYS A 601 -8.098 -12.942 2.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 601 -10.176 -13.387 1.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 601 -9.271 -12.245 0.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 601 -9.351 -13.855 0.380 1.00 0.00 H new ATOM 1066 N LEU A 602 -2.447 -9.499 1.655 1.00 0.00 N ATOM 1067 CA LEU A 602 -0.993 -9.382 1.664 1.00 0.00 C ATOM 1068 C LEU A 602 -0.347 -10.666 2.175 1.00 0.00 C ATOM 1069 O LEU A 602 -0.319 -10.921 3.379 1.00 0.00 O ATOM 1070 CB LEU A 602 -0.562 -8.199 2.533 1.00 0.00 C ATOM 1071 CG LEU A 602 -1.050 -6.822 2.082 1.00 0.00 C ATOM 1072 CD1 LEU A 602 -0.246 -5.723 2.759 1.00 0.00 C ATOM 1073 CD2 LEU A 602 -0.963 -6.694 0.569 1.00 0.00 C ATOM 0 H LEU A 602 -2.915 -8.992 2.406 1.00 0.00 H new ATOM 0 HA LEU A 602 -0.660 -9.212 0.640 1.00 0.00 H new ATOM 0 HB2 LEU A 602 -0.916 -8.373 3.549 1.00 0.00 H new ATOM 0 HB3 LEU A 602 0.527 -8.181 2.573 1.00 0.00 H new ATOM 0 HG LEU A 602 -2.094 -6.714 2.376 1.00 0.00 H new ATOM 0 HD11 LEU A 602 -0.607 -4.750 2.426 1.00 0.00 H new ATOM 0 HD12 LEU A 602 -0.360 -5.802 3.840 1.00 0.00 H new ATOM 0 HD13 LEU A 602 0.807 -5.828 2.497 1.00 0.00 H new ATOM 0 HD21 LEU A 602 -1.314 -5.708 0.267 1.00 0.00 H new ATOM 0 HD22 LEU A 602 0.072 -6.824 0.252 1.00 0.00 H new ATOM 0 HD23 LEU A 602 -1.584 -7.459 0.103 1.00 0.00 H new ATOM 1085 N SER A 603 0.173 -11.469 1.253 1.00 0.00 N ATOM 1086 CA SER A 603 0.818 -12.727 1.610 1.00 0.00 C ATOM 1087 C SER A 603 -0.158 -13.651 2.332 1.00 0.00 C ATOM 1088 O SER A 603 0.244 -14.487 3.141 1.00 0.00 O ATOM 1089 CB SER A 603 2.039 -12.466 2.493 1.00 0.00 C ATOM 1090 OG SER A 603 3.030 -13.460 2.300 1.00 0.00 O ATOM 0 H SER A 603 0.160 -11.271 0.253 1.00 0.00 H new ATOM 0 HA SER A 603 1.142 -13.215 0.691 1.00 0.00 H new ATOM 0 HB2 SER A 603 2.454 -11.485 2.264 1.00 0.00 H new ATOM 0 HB3 SER A 603 1.737 -12.448 3.540 1.00 0.00 H new ATOM 0 HG SER A 603 3.801 -13.270 2.875 1.00 0.00 H new ATOM 1096 N GLY A 604 -1.444 -13.495 2.032 1.00 0.00 N ATOM 1097 CA GLY A 604 -2.458 -14.321 2.661 1.00 0.00 C ATOM 1098 C GLY A 604 -3.069 -13.661 3.881 1.00 0.00 C ATOM 1099 O GLY A 604 -3.551 -14.342 4.787 1.00 0.00 O ATOM 0 H GLY A 604 -1.801 -12.811 1.365 1.00 0.00 H new ATOM 0 HA2 GLY A 604 -3.244 -14.539 1.938 1.00 0.00 H new ATOM 0 HA3 GLY A 604 -2.017 -15.275 2.950 1.00 0.00 H new ATOM 1103 N ARG A 605 -3.048 -12.333 3.906 1.00 0.00 N ATOM 1104 CA ARG A 605 -3.602 -11.581 5.026 1.00 0.00 C ATOM 1105 C ARG A 605 -4.544 -10.487 4.533 1.00 0.00 C ATOM 1106 O ARG A 605 -4.122 -9.551 3.855 1.00 0.00 O ATOM 1107 CB ARG A 605 -2.477 -10.963 5.859 1.00 0.00 C ATOM 1108 CG ARG A 605 -1.717 -11.975 6.701 1.00 0.00 C ATOM 1109 CD ARG A 605 -1.180 -11.347 7.977 1.00 0.00 C ATOM 1110 NE ARG A 605 -0.594 -12.341 8.872 1.00 0.00 N ATOM 1111 CZ ARG A 605 -0.283 -12.096 10.140 1.00 0.00 C ATOM 1112 NH1 ARG A 605 -0.501 -10.896 10.660 1.00 0.00 N ATOM 1113 NH2 ARG A 605 0.248 -13.052 10.891 1.00 0.00 N ATOM 0 H ARG A 605 -2.653 -11.755 3.164 1.00 0.00 H new ATOM 0 HA ARG A 605 -4.170 -12.272 5.650 1.00 0.00 H new ATOM 0 HB2 ARG A 605 -1.777 -10.459 5.192 1.00 0.00 H new ATOM 0 HB3 ARG A 605 -2.898 -10.201 6.514 1.00 0.00 H new ATOM 0 HG2 ARG A 605 -2.374 -12.807 6.953 1.00 0.00 H new ATOM 0 HG3 ARG A 605 -0.891 -12.385 6.121 1.00 0.00 H new ATOM 0 HD2 ARG A 605 -0.428 -10.599 7.724 1.00 0.00 H new ATOM 0 HD3 ARG A 605 -1.987 -10.826 8.492 1.00 0.00 H new ATOM 0 HE ARG A 605 -0.414 -13.275 8.503 1.00 0.00 H new ATOM 0 HH11 ARG A 605 -0.909 -10.158 10.086 1.00 0.00 H new ATOM 0 HH12 ARG A 605 -0.261 -10.711 11.634 1.00 0.00 H new ATOM 0 HH21 ARG A 605 0.418 -13.976 10.495 1.00 0.00 H new ATOM 0 HH22 ARG A 605 0.486 -12.863 11.864 1.00 0.00 H new ATOM 1127 N GLU A 606 -5.822 -10.613 4.878 1.00 0.00 N ATOM 1128 CA GLU A 606 -6.823 -9.635 4.469 1.00 0.00 C ATOM 1129 C GLU A 606 -6.727 -8.371 5.318 1.00 0.00 C ATOM 1130 O GLU A 606 -6.523 -8.438 6.530 1.00 0.00 O ATOM 1131 CB GLU A 606 -8.227 -10.233 4.582 1.00 0.00 C ATOM 1132 CG GLU A 606 -9.196 -9.712 3.534 1.00 0.00 C ATOM 1133 CD GLU A 606 -10.630 -9.688 4.026 1.00 0.00 C ATOM 1134 OE1 GLU A 606 -11.050 -10.666 4.680 1.00 0.00 O ATOM 1135 OE2 GLU A 606 -11.333 -8.691 3.757 1.00 0.00 O ATOM 0 H GLU A 606 -6.188 -11.382 5.439 1.00 0.00 H new ATOM 0 HA GLU A 606 -6.631 -9.369 3.430 1.00 0.00 H new ATOM 0 HB2 GLU A 606 -8.159 -11.317 4.495 1.00 0.00 H new ATOM 0 HB3 GLU A 606 -8.626 -10.017 5.573 1.00 0.00 H new ATOM 0 HG2 GLU A 606 -8.900 -8.705 3.240 1.00 0.00 H new ATOM 0 HG3 GLU A 606 -9.132 -10.337 2.643 1.00 0.00 H new ATOM 1142 N ILE A 607 -6.874 -7.219 4.671 1.00 0.00 N ATOM 1143 CA ILE A 607 -6.805 -5.940 5.366 1.00 0.00 C ATOM 1144 C ILE A 607 -8.019 -5.074 5.047 1.00 0.00 C ATOM 1145 O ILE A 607 -8.640 -5.222 3.994 1.00 0.00 O ATOM 1146 CB ILE A 607 -5.525 -5.166 4.995 1.00 0.00 C ATOM 1147 CG1 ILE A 607 -5.295 -5.214 3.483 1.00 0.00 C ATOM 1148 CG2 ILE A 607 -4.327 -5.738 5.736 1.00 0.00 C ATOM 1149 CD1 ILE A 607 -4.044 -4.490 3.039 1.00 0.00 C ATOM 0 H ILE A 607 -7.041 -7.146 3.668 1.00 0.00 H new ATOM 0 HA ILE A 607 -6.790 -6.162 6.433 1.00 0.00 H new ATOM 0 HB ILE A 607 -5.648 -4.125 5.293 1.00 0.00 H new ATOM 0 HG12 ILE A 607 -5.234 -6.255 3.166 1.00 0.00 H new ATOM 0 HG13 ILE A 607 -6.157 -4.777 2.979 1.00 0.00 H new ATOM 0 HG21 ILE A 607 -3.431 -5.181 5.463 1.00 0.00 H new ATOM 0 HG22 ILE A 607 -4.492 -5.658 6.811 1.00 0.00 H new ATOM 0 HG23 ILE A 607 -4.199 -6.786 5.466 1.00 0.00 H new ATOM 0 HD11 ILE A 607 -3.945 -4.565 1.956 1.00 0.00 H new ATOM 0 HD12 ILE A 607 -4.110 -3.440 3.325 1.00 0.00 H new ATOM 0 HD13 ILE A 607 -3.174 -4.942 3.515 1.00 0.00 H new ATOM 1161 N ASP A 608 -8.350 -4.169 5.961 1.00 0.00 N ATOM 1162 CA ASP A 608 -9.489 -3.277 5.776 1.00 0.00 C ATOM 1163 C ASP A 608 -9.031 -1.826 5.675 1.00 0.00 C ATOM 1164 O ASP A 608 -8.697 -1.197 6.680 1.00 0.00 O ATOM 1165 CB ASP A 608 -10.479 -3.433 6.931 1.00 0.00 C ATOM 1166 CG ASP A 608 -11.497 -4.528 6.678 1.00 0.00 C ATOM 1167 OD1 ASP A 608 -11.714 -4.875 5.497 1.00 0.00 O ATOM 1168 OD2 ASP A 608 -12.076 -5.038 7.659 1.00 0.00 O ATOM 0 H ASP A 608 -7.846 -4.033 6.837 1.00 0.00 H new ATOM 0 HA ASP A 608 -9.985 -3.549 4.844 1.00 0.00 H new ATOM 0 HB2 ASP A 608 -9.932 -3.655 7.847 1.00 0.00 H new ATOM 0 HB3 ASP A 608 -10.998 -2.488 7.091 1.00 0.00 H new ATOM 1173 N VAL A 609 -9.016 -1.298 4.455 1.00 0.00 N ATOM 1174 CA VAL A 609 -8.599 0.079 4.222 1.00 0.00 C ATOM 1175 C VAL A 609 -9.804 1.003 4.087 1.00 0.00 C ATOM 1176 O VAL A 609 -10.687 0.771 3.262 1.00 0.00 O ATOM 1177 CB VAL A 609 -7.732 0.196 2.955 1.00 0.00 C ATOM 1178 CG1 VAL A 609 -6.958 1.506 2.956 1.00 0.00 C ATOM 1179 CG2 VAL A 609 -6.787 -0.990 2.845 1.00 0.00 C ATOM 0 H VAL A 609 -9.288 -1.804 3.612 1.00 0.00 H new ATOM 0 HA VAL A 609 -8.008 0.381 5.087 1.00 0.00 H new ATOM 0 HB VAL A 609 -8.389 0.190 2.085 1.00 0.00 H new ATOM 0 HG11 VAL A 609 -6.351 1.571 2.053 1.00 0.00 H new ATOM 0 HG12 VAL A 609 -7.657 2.342 2.984 1.00 0.00 H new ATOM 0 HG13 VAL A 609 -6.310 1.545 3.832 1.00 0.00 H new ATOM 0 HG21 VAL A 609 -6.182 -0.891 1.944 1.00 0.00 H new ATOM 0 HG22 VAL A 609 -6.135 -1.018 3.718 1.00 0.00 H new ATOM 0 HG23 VAL A 609 -7.365 -1.913 2.794 1.00 0.00 H new ATOM 1189 N ARG A 610 -9.834 2.051 4.904 1.00 0.00 N ATOM 1190 CA ARG A 610 -10.931 3.010 4.877 1.00 0.00 C ATOM 1191 C ARG A 610 -10.418 4.430 5.096 1.00 0.00 C ATOM 1192 O ARG A 610 -9.284 4.630 5.534 1.00 0.00 O ATOM 1193 CB ARG A 610 -11.969 2.661 5.945 1.00 0.00 C ATOM 1194 CG ARG A 610 -12.740 1.385 5.650 1.00 0.00 C ATOM 1195 CD ARG A 610 -12.058 0.169 6.258 1.00 0.00 C ATOM 1196 NE ARG A 610 -11.751 0.363 7.672 1.00 0.00 N ATOM 1197 CZ ARG A 610 -12.652 0.255 8.642 1.00 0.00 C ATOM 1198 NH1 ARG A 610 -13.911 -0.044 8.351 1.00 0.00 N ATOM 1199 NH2 ARG A 610 -12.296 0.447 9.905 1.00 0.00 N ATOM 0 H ARG A 610 -9.111 2.257 5.593 1.00 0.00 H new ATOM 0 HA ARG A 610 -11.400 2.959 3.894 1.00 0.00 H new ATOM 0 HB2 ARG A 610 -11.468 2.558 6.907 1.00 0.00 H new ATOM 0 HB3 ARG A 610 -12.673 3.488 6.039 1.00 0.00 H new ATOM 0 HG2 ARG A 610 -13.752 1.471 6.044 1.00 0.00 H new ATOM 0 HG3 ARG A 610 -12.828 1.253 4.572 1.00 0.00 H new ATOM 0 HD2 ARG A 610 -12.702 -0.703 6.143 1.00 0.00 H new ATOM 0 HD3 ARG A 610 -11.138 -0.041 5.713 1.00 0.00 H new ATOM 0 HE ARG A 610 -10.791 0.594 7.929 1.00 0.00 H new ATOM 0 HH11 ARG A 610 -14.189 -0.192 7.381 1.00 0.00 H new ATOM 0 HH12 ARG A 610 -14.601 -0.126 9.097 1.00 0.00 H new ATOM 0 HH21 ARG A 610 -11.329 0.678 10.133 1.00 0.00 H new ATOM 0 HH22 ARG A 610 -12.989 0.364 10.649 1.00 0.00 H new ATOM 1213 N ILE A 611 -11.259 5.412 4.789 1.00 0.00 N ATOM 1214 CA ILE A 611 -10.890 6.813 4.954 1.00 0.00 C ATOM 1215 C ILE A 611 -11.043 7.255 6.405 1.00 0.00 C ATOM 1216 O ILE A 611 -12.156 7.347 6.923 1.00 0.00 O ATOM 1217 CB ILE A 611 -11.743 7.729 4.057 1.00 0.00 C ATOM 1218 CG1 ILE A 611 -11.476 7.428 2.581 1.00 0.00 C ATOM 1219 CG2 ILE A 611 -11.455 9.190 4.366 1.00 0.00 C ATOM 1220 CD1 ILE A 611 -10.128 7.918 2.099 1.00 0.00 C ATOM 0 H ILE A 611 -12.200 5.264 4.425 1.00 0.00 H new ATOM 0 HA ILE A 611 -9.844 6.901 4.659 1.00 0.00 H new ATOM 0 HB ILE A 611 -12.796 7.535 4.262 1.00 0.00 H new ATOM 0 HG12 ILE A 611 -11.541 6.352 2.420 1.00 0.00 H new ATOM 0 HG13 ILE A 611 -12.258 7.888 1.977 1.00 0.00 H new ATOM 0 HG21 ILE A 611 -12.066 9.825 3.724 1.00 0.00 H new ATOM 0 HG22 ILE A 611 -11.692 9.395 5.410 1.00 0.00 H new ATOM 0 HG23 ILE A 611 -10.400 9.399 4.186 1.00 0.00 H new ATOM 0 HD11 ILE A 611 -10.007 7.670 1.044 1.00 0.00 H new ATOM 0 HD12 ILE A 611 -10.066 8.999 2.228 1.00 0.00 H new ATOM 0 HD13 ILE A 611 -9.338 7.438 2.677 1.00 0.00 H new ATOM 1232 N ASP A 612 -9.918 7.528 7.056 1.00 0.00 N ATOM 1233 CA ASP A 612 -9.926 7.964 8.448 1.00 0.00 C ATOM 1234 C ASP A 612 -10.353 9.424 8.557 1.00 0.00 C ATOM 1235 O ASP A 612 -9.562 10.285 8.944 1.00 0.00 O ATOM 1236 CB ASP A 612 -8.542 7.776 9.072 1.00 0.00 C ATOM 1237 CG ASP A 612 -8.602 7.624 10.579 1.00 0.00 C ATOM 1238 OD1 ASP A 612 -8.954 6.523 11.051 1.00 0.00 O ATOM 1239 OD2 ASP A 612 -8.296 8.607 11.286 1.00 0.00 O ATOM 0 H ASP A 612 -8.988 7.455 6.642 1.00 0.00 H new ATOM 0 HA ASP A 612 -10.646 7.352 8.991 1.00 0.00 H new ATOM 0 HB2 ASP A 612 -8.068 6.895 8.639 1.00 0.00 H new ATOM 0 HB3 ASP A 612 -7.914 8.631 8.821 1.00 0.00 H new