USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 673 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 597 MET CE :methyl -116:sc= -3.51! (180deg=-6.41!) USER MOD Set 1.2: A 600 MET CE :methyl 140:sc= -4.63! (180deg=-8.55!) USER MOD Set 2.1: A 561 CYS SG : rot 122:sc= 0.359 USER MOD Set 2.2: A 596 MET CE :methyl -115:sc= -2.8! (180deg=-3.24!) USER MOD Set 3.1: A 583 LYS NZ :NH3+ 175:sc= -0.54 (180deg=-0.713) USER MOD Set 3.2: A 614 ASN : amide:sc= -0.177 K(o=-0.72,f=-2.2!) USER MOD Single : A 534 SER OG : rot 114:sc= 0.884 USER MOD Single : A 535 SER OG : rot 180:sc= 0 USER MOD Single : A 537 SER OG : rot -61:sc= 0.175 USER MOD Single : A 538 SER OG : rot 180:sc= 0 USER MOD Single : A 544 ASN : amide:sc= -2.59! X(o=-2.6!,f=-2.3) USER MOD Single : A 550 THR OG1 : rot 180:sc= 0.00638 USER MOD Single : A 552 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 553 MET CE :methyl -122:sc= 0 (180deg=-0.0154) USER MOD Single : A 555 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 557 LYS NZ :NH3+ -112:sc= 0 (180deg=-0.349) USER MOD Single : A 559 ASN : amide:sc= -0.831 X(o=-0.83,f=-0.65!) USER MOD Single : A 563 HIS : no HE2:sc= -1.56 X(o=-1.6,f=-1.3) USER MOD Single : A 566 TYR OH : rot 180:sc= 0 USER MOD Single : A 570 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 571 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 573 ASN : amide:sc= -0.0521 K(o=-0.052,f=-1.6!) USER MOD Single : A 575 LYS NZ :NH3+ 165:sc=-0.00503 (180deg=-0.119) USER MOD Single : A 576 SER OG : rot -1:sc= 0.0532 USER MOD Single : A 577 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 579 CYS SG : rot 180:sc= -2.03 USER MOD Single : A 586 SER OG : rot 180:sc= 0 USER MOD Single : A 594 CYS SG : rot 73:sc= -0.679 USER MOD Single : A 598 ASN : amide:sc= -0.154 K(o=-0.15,f=-3.6!) 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 Single : A 616 SER OG : rot 180:sc= 0 USER MOD Single : A 619 SER OG : rot 180:sc= 0 USER MOD Single : A 620 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 533 -1.791 21.809 5.450 1.00 0.00 N ATOM 2 CA GLY A 533 -2.835 21.125 4.708 1.00 0.00 C ATOM 3 C GLY A 533 -2.806 21.456 3.229 1.00 0.00 C ATOM 4 O GLY A 533 -2.801 22.626 2.848 1.00 0.00 O ATOM 0 HA2 GLY A 533 -2.724 20.049 4.839 1.00 0.00 H new ATOM 0 HA3 GLY A 533 -3.807 21.397 5.119 1.00 0.00 H new ATOM 8 N SER A 534 -2.786 20.422 2.393 1.00 0.00 N ATOM 9 CA SER A 534 -2.752 20.609 0.948 1.00 0.00 C ATOM 10 C SER A 534 -4.163 20.602 0.366 1.00 0.00 C ATOM 11 O SER A 534 -4.414 19.994 -0.675 1.00 0.00 O ATOM 12 CB SER A 534 -1.912 19.512 0.290 1.00 0.00 C ATOM 13 OG SER A 534 -2.512 18.240 0.459 1.00 0.00 O ATOM 0 H SER A 534 -2.793 19.447 2.692 1.00 0.00 H new ATOM 0 HA SER A 534 -2.297 21.578 0.743 1.00 0.00 H new ATOM 0 HB2 SER A 534 -1.798 19.725 -0.773 1.00 0.00 H new ATOM 0 HB3 SER A 534 -0.912 19.506 0.723 1.00 0.00 H new ATOM 0 HG SER A 534 -2.790 17.891 -0.413 1.00 0.00 H new ATOM 19 N SER A 535 -5.080 21.283 1.046 1.00 0.00 N ATOM 20 CA SER A 535 -6.466 21.352 0.600 1.00 0.00 C ATOM 21 C SER A 535 -7.077 19.958 0.502 1.00 0.00 C ATOM 22 O SER A 535 -7.816 19.655 -0.434 1.00 0.00 O ATOM 23 CB SER A 535 -6.553 22.055 -0.757 1.00 0.00 C ATOM 24 OG SER A 535 -6.458 23.461 -0.609 1.00 0.00 O ATOM 0 H SER A 535 -4.888 21.794 1.907 1.00 0.00 H new ATOM 0 HA SER A 535 -7.029 21.925 1.336 1.00 0.00 H new ATOM 0 HB2 SER A 535 -5.753 21.700 -1.406 1.00 0.00 H new ATOM 0 HB3 SER A 535 -7.495 21.800 -1.243 1.00 0.00 H new ATOM 0 HG SER A 535 -6.514 23.887 -1.490 1.00 0.00 H new ATOM 30 N GLY A 536 -6.761 19.111 1.477 1.00 0.00 N ATOM 31 CA GLY A 536 -7.286 17.758 1.484 1.00 0.00 C ATOM 32 C GLY A 536 -6.220 16.724 1.787 1.00 0.00 C ATOM 33 O GLY A 536 -5.526 16.255 0.885 1.00 0.00 O ATOM 0 H GLY A 536 -6.151 19.338 2.262 1.00 0.00 H new ATOM 0 HA2 GLY A 536 -8.081 17.684 2.226 1.00 0.00 H new ATOM 0 HA3 GLY A 536 -7.734 17.540 0.514 1.00 0.00 H new ATOM 37 N SER A 537 -6.088 16.369 3.061 1.00 0.00 N ATOM 38 CA SER A 537 -5.095 15.387 3.482 1.00 0.00 C ATOM 39 C SER A 537 -5.730 14.313 4.359 1.00 0.00 C ATOM 40 O SER A 537 -5.154 13.895 5.364 1.00 0.00 O ATOM 41 CB SER A 537 -3.958 16.075 4.241 1.00 0.00 C ATOM 42 OG SER A 537 -2.845 15.210 4.385 1.00 0.00 O ATOM 0 H SER A 537 -6.656 16.746 3.820 1.00 0.00 H new ATOM 0 HA SER A 537 -4.691 14.909 2.589 1.00 0.00 H new ATOM 0 HB2 SER A 537 -3.655 16.977 3.709 1.00 0.00 H new ATOM 0 HB3 SER A 537 -4.310 16.387 5.224 1.00 0.00 H new ATOM 0 HG SER A 537 -3.109 14.421 4.902 1.00 0.00 H new ATOM 48 N SER A 538 -6.922 13.870 3.972 1.00 0.00 N ATOM 49 CA SER A 538 -7.639 12.847 4.724 1.00 0.00 C ATOM 50 C SER A 538 -6.849 11.542 4.755 1.00 0.00 C ATOM 51 O SER A 538 -7.011 10.685 3.887 1.00 0.00 O ATOM 52 CB SER A 538 -9.020 12.607 4.111 1.00 0.00 C ATOM 53 OG SER A 538 -9.896 13.685 4.391 1.00 0.00 O ATOM 0 H SER A 538 -7.412 14.204 3.142 1.00 0.00 H new ATOM 0 HA SER A 538 -7.761 13.202 5.747 1.00 0.00 H new ATOM 0 HB2 SER A 538 -8.926 12.481 3.032 1.00 0.00 H new ATOM 0 HB3 SER A 538 -9.440 11.681 4.504 1.00 0.00 H new ATOM 0 HG SER A 538 -10.771 13.509 3.987 1.00 0.00 H new ATOM 59 N GLY A 539 -5.994 11.398 5.762 1.00 0.00 N ATOM 60 CA GLY A 539 -5.191 10.196 5.888 1.00 0.00 C ATOM 61 C GLY A 539 -6.028 8.970 6.195 1.00 0.00 C ATOM 62 O GLY A 539 -6.792 8.958 7.161 1.00 0.00 O ATOM 0 H GLY A 539 -5.843 12.093 6.493 1.00 0.00 H new ATOM 0 HA2 GLY A 539 -4.639 10.033 4.962 1.00 0.00 H new ATOM 0 HA3 GLY A 539 -4.454 10.336 6.679 1.00 0.00 H new ATOM 66 N ILE A 540 -5.886 7.937 5.372 1.00 0.00 N ATOM 67 CA ILE A 540 -6.635 6.701 5.561 1.00 0.00 C ATOM 68 C ILE A 540 -6.028 5.855 6.675 1.00 0.00 C ATOM 69 O ILE A 540 -5.081 6.273 7.341 1.00 0.00 O ATOM 70 CB ILE A 540 -6.683 5.868 4.267 1.00 0.00 C ATOM 71 CG1 ILE A 540 -5.340 5.174 4.031 1.00 0.00 C ATOM 72 CG2 ILE A 540 -7.044 6.751 3.082 1.00 0.00 C ATOM 73 CD1 ILE A 540 -5.354 4.207 2.868 1.00 0.00 C ATOM 0 H ILE A 540 -5.259 7.931 4.568 1.00 0.00 H new ATOM 0 HA ILE A 540 -7.650 6.987 5.837 1.00 0.00 H new ATOM 0 HB ILE A 540 -7.452 5.103 4.373 1.00 0.00 H new ATOM 0 HG12 ILE A 540 -4.576 5.931 3.854 1.00 0.00 H new ATOM 0 HG13 ILE A 540 -5.054 4.637 4.936 1.00 0.00 H new ATOM 0 HG21 ILE A 540 -7.074 6.148 2.175 1.00 0.00 H new ATOM 0 HG22 ILE A 540 -8.022 7.203 3.250 1.00 0.00 H new ATOM 0 HG23 ILE A 540 -6.295 7.536 2.972 1.00 0.00 H new ATOM 0 HD11 ILE A 540 -4.369 3.753 2.761 1.00 0.00 H new ATOM 0 HD12 ILE A 540 -6.095 3.428 3.051 1.00 0.00 H new ATOM 0 HD13 ILE A 540 -5.609 4.742 1.953 1.00 0.00 H new ATOM 85 N PHE A 541 -6.580 4.662 6.871 1.00 0.00 N ATOM 86 CA PHE A 541 -6.092 3.755 7.904 1.00 0.00 C ATOM 87 C PHE A 541 -6.191 2.303 7.445 1.00 0.00 C ATOM 88 O PHE A 541 -7.130 1.925 6.744 1.00 0.00 O ATOM 89 CB PHE A 541 -6.887 3.947 9.198 1.00 0.00 C ATOM 90 CG PHE A 541 -6.094 3.648 10.438 1.00 0.00 C ATOM 91 CD1 PHE A 541 -5.884 2.340 10.843 1.00 0.00 C ATOM 92 CD2 PHE A 541 -5.560 4.675 11.200 1.00 0.00 C ATOM 93 CE1 PHE A 541 -5.154 2.061 11.984 1.00 0.00 C ATOM 94 CE2 PHE A 541 -4.830 4.403 12.341 1.00 0.00 C ATOM 95 CZ PHE A 541 -4.628 3.094 12.734 1.00 0.00 C ATOM 0 H PHE A 541 -7.365 4.301 6.329 1.00 0.00 H new ATOM 0 HA PHE A 541 -5.044 3.988 8.091 1.00 0.00 H new ATOM 0 HB2 PHE A 541 -7.246 4.975 9.245 1.00 0.00 H new ATOM 0 HB3 PHE A 541 -7.766 3.303 9.174 1.00 0.00 H new ATOM 0 HD1 PHE A 541 -6.295 1.529 10.261 1.00 0.00 H new ATOM 0 HD2 PHE A 541 -5.716 5.700 10.898 1.00 0.00 H new ATOM 0 HE1 PHE A 541 -4.996 1.037 12.288 1.00 0.00 H new ATOM 0 HE2 PHE A 541 -4.418 5.213 12.925 1.00 0.00 H new ATOM 0 HZ PHE A 541 -4.059 2.879 13.627 1.00 0.00 H new ATOM 105 N VAL A 542 -5.215 1.494 7.844 1.00 0.00 N ATOM 106 CA VAL A 542 -5.191 0.084 7.474 1.00 0.00 C ATOM 107 C VAL A 542 -5.024 -0.803 8.703 1.00 0.00 C ATOM 108 O VAL A 542 -4.442 -0.389 9.706 1.00 0.00 O ATOM 109 CB VAL A 542 -4.054 -0.216 6.480 1.00 0.00 C ATOM 110 CG1 VAL A 542 -4.240 -1.590 5.854 1.00 0.00 C ATOM 111 CG2 VAL A 542 -3.986 0.862 5.408 1.00 0.00 C ATOM 0 H VAL A 542 -4.430 1.791 8.424 1.00 0.00 H new ATOM 0 HA VAL A 542 -6.147 -0.135 6.998 1.00 0.00 H new ATOM 0 HB VAL A 542 -3.110 -0.216 7.024 1.00 0.00 H new ATOM 0 HG11 VAL A 542 -3.427 -1.784 5.154 1.00 0.00 H new ATOM 0 HG12 VAL A 542 -4.235 -2.350 6.636 1.00 0.00 H new ATOM 0 HG13 VAL A 542 -5.191 -1.622 5.323 1.00 0.00 H new ATOM 0 HG21 VAL A 542 -3.177 0.634 4.714 1.00 0.00 H new ATOM 0 HG22 VAL A 542 -4.931 0.896 4.866 1.00 0.00 H new ATOM 0 HG23 VAL A 542 -3.801 1.829 5.876 1.00 0.00 H new ATOM 121 N ARG A 543 -5.538 -2.026 8.617 1.00 0.00 N ATOM 122 CA ARG A 543 -5.447 -2.972 9.722 1.00 0.00 C ATOM 123 C ARG A 543 -5.265 -4.396 9.205 1.00 0.00 C ATOM 124 O ARG A 543 -5.599 -4.698 8.060 1.00 0.00 O ATOM 125 CB ARG A 543 -6.700 -2.891 10.595 1.00 0.00 C ATOM 126 CG ARG A 543 -6.602 -1.860 11.708 1.00 0.00 C ATOM 127 CD ARG A 543 -7.624 -2.123 12.803 1.00 0.00 C ATOM 128 NE ARG A 543 -8.922 -1.531 12.493 1.00 0.00 N ATOM 129 CZ ARG A 543 -10.064 -1.940 13.035 1.00 0.00 C ATOM 130 NH1 ARG A 543 -10.068 -2.938 13.908 1.00 0.00 N ATOM 131 NH2 ARG A 543 -11.206 -1.351 12.703 1.00 0.00 N ATOM 0 H ARG A 543 -6.022 -2.384 7.794 1.00 0.00 H new ATOM 0 HA ARG A 543 -4.577 -2.708 10.323 1.00 0.00 H new ATOM 0 HB2 ARG A 543 -7.557 -2.652 9.965 1.00 0.00 H new ATOM 0 HB3 ARG A 543 -6.890 -3.870 11.034 1.00 0.00 H new ATOM 0 HG2 ARG A 543 -5.599 -1.877 12.134 1.00 0.00 H new ATOM 0 HG3 ARG A 543 -6.757 -0.863 11.296 1.00 0.00 H new ATOM 0 HD2 ARG A 543 -7.739 -3.198 12.941 1.00 0.00 H new ATOM 0 HD3 ARG A 543 -7.257 -1.718 13.746 1.00 0.00 H new ATOM 0 HE ARG A 543 -8.954 -0.762 11.824 1.00 0.00 H new ATOM 0 HH11 ARG A 543 -9.193 -3.394 14.165 1.00 0.00 H new ATOM 0 HH12 ARG A 543 -10.946 -3.250 14.322 1.00 0.00 H new ATOM 0 HH21 ARG A 543 -11.208 -0.584 12.031 1.00 0.00 H new ATOM 0 HH22 ARG A 543 -12.082 -1.666 13.120 1.00 0.00 H new ATOM 145 N ASN A 544 -4.733 -5.266 10.057 1.00 0.00 N ATOM 146 CA ASN A 544 -4.506 -6.658 9.685 1.00 0.00 C ATOM 147 C ASN A 544 -3.315 -6.782 8.740 1.00 0.00 C ATOM 148 O ASN A 544 -3.301 -7.633 7.850 1.00 0.00 O ATOM 149 CB ASN A 544 -5.757 -7.243 9.027 1.00 0.00 C ATOM 150 CG ASN A 544 -5.774 -8.759 9.062 1.00 0.00 C ATOM 151 OD1 ASN A 544 -6.398 -9.364 9.934 1.00 0.00 O ATOM 152 ND2 ASN A 544 -5.087 -9.380 8.110 1.00 0.00 N ATOM 0 H ASN A 544 -4.451 -5.032 11.009 1.00 0.00 H new ATOM 0 HA ASN A 544 -4.286 -7.219 10.593 1.00 0.00 H new ATOM 0 HB2 ASN A 544 -6.643 -6.861 9.534 1.00 0.00 H new ATOM 0 HB3 ASN A 544 -5.811 -6.906 7.992 1.00 0.00 H new ATOM 0 HD21 ASN A 544 -5.062 -10.399 8.081 1.00 0.00 H new ATOM 0 HD22 ASN A 544 -4.584 -8.838 7.407 1.00 0.00 H new ATOM 159 N LEU A 545 -2.318 -5.927 8.938 1.00 0.00 N ATOM 160 CA LEU A 545 -1.121 -5.940 8.104 1.00 0.00 C ATOM 161 C LEU A 545 -0.117 -6.971 8.609 1.00 0.00 C ATOM 162 O LEU A 545 0.050 -7.174 9.811 1.00 0.00 O ATOM 163 CB LEU A 545 -0.477 -4.553 8.080 1.00 0.00 C ATOM 164 CG LEU A 545 -1.167 -3.507 7.203 1.00 0.00 C ATOM 165 CD1 LEU A 545 -0.646 -2.115 7.522 1.00 0.00 C ATOM 166 CD2 LEU A 545 -0.964 -3.830 5.730 1.00 0.00 C ATOM 0 H LEU A 545 -2.315 -5.216 9.669 1.00 0.00 H new ATOM 0 HA LEU A 545 -1.417 -6.214 7.091 1.00 0.00 H new ATOM 0 HB2 LEU A 545 -0.440 -4.174 9.101 1.00 0.00 H new ATOM 0 HB3 LEU A 545 0.554 -4.659 7.742 1.00 0.00 H new ATOM 0 HG LEU A 545 -2.236 -3.530 7.416 1.00 0.00 H new ATOM 0 HD11 LEU A 545 -1.148 -1.384 6.888 1.00 0.00 H new ATOM 0 HD12 LEU A 545 -0.843 -1.884 8.569 1.00 0.00 H new ATOM 0 HD13 LEU A 545 0.428 -2.077 7.338 1.00 0.00 H new ATOM 0 HD21 LEU A 545 -1.461 -3.076 5.120 1.00 0.00 H new ATOM 0 HD22 LEU A 545 0.102 -3.836 5.502 1.00 0.00 H new ATOM 0 HD23 LEU A 545 -1.387 -4.810 5.511 1.00 0.00 H new ATOM 178 N PRO A 546 0.571 -7.637 7.669 1.00 0.00 N ATOM 179 CA PRO A 546 1.573 -8.656 7.994 1.00 0.00 C ATOM 180 C PRO A 546 2.825 -8.057 8.625 1.00 0.00 C ATOM 181 O PRO A 546 3.387 -7.088 8.114 1.00 0.00 O ATOM 182 CB PRO A 546 1.903 -9.275 6.634 1.00 0.00 C ATOM 183 CG PRO A 546 1.586 -8.208 5.645 1.00 0.00 C ATOM 184 CD PRO A 546 0.423 -7.445 6.216 1.00 0.00 C ATOM 0 HA PRO A 546 1.202 -9.374 8.726 1.00 0.00 H new ATOM 0 HB2 PRO A 546 2.951 -9.569 6.577 1.00 0.00 H new ATOM 0 HB3 PRO A 546 1.310 -10.171 6.453 1.00 0.00 H new ATOM 0 HG2 PRO A 546 2.443 -7.553 5.489 1.00 0.00 H new ATOM 0 HG3 PRO A 546 1.333 -8.637 4.676 1.00 0.00 H new ATOM 0 HD2 PRO A 546 0.462 -6.390 5.944 1.00 0.00 H new ATOM 0 HD3 PRO A 546 -0.529 -7.833 5.854 1.00 0.00 H new ATOM 192 N PHE A 547 3.258 -8.639 9.739 1.00 0.00 N ATOM 193 CA PHE A 547 4.444 -8.162 10.440 1.00 0.00 C ATOM 194 C PHE A 547 5.482 -7.633 9.455 1.00 0.00 C ATOM 195 O PHE A 547 5.842 -6.456 9.488 1.00 0.00 O ATOM 196 CB PHE A 547 5.051 -9.285 11.283 1.00 0.00 C ATOM 197 CG PHE A 547 4.098 -9.858 12.293 1.00 0.00 C ATOM 198 CD1 PHE A 547 3.507 -9.044 13.246 1.00 0.00 C ATOM 199 CD2 PHE A 547 3.794 -11.210 12.290 1.00 0.00 C ATOM 200 CE1 PHE A 547 2.630 -9.568 14.177 1.00 0.00 C ATOM 201 CE2 PHE A 547 2.918 -11.739 13.219 1.00 0.00 C ATOM 202 CZ PHE A 547 2.335 -10.917 14.164 1.00 0.00 C ATOM 0 H PHE A 547 2.805 -9.442 10.175 1.00 0.00 H new ATOM 0 HA PHE A 547 4.143 -7.346 11.097 1.00 0.00 H new ATOM 0 HB2 PHE A 547 5.390 -10.082 10.622 1.00 0.00 H new ATOM 0 HB3 PHE A 547 5.931 -8.905 11.801 1.00 0.00 H new ATOM 0 HD1 PHE A 547 3.734 -7.988 13.261 1.00 0.00 H new ATOM 0 HD2 PHE A 547 4.247 -11.857 11.554 1.00 0.00 H new ATOM 0 HE1 PHE A 547 2.176 -8.923 14.914 1.00 0.00 H new ATOM 0 HE2 PHE A 547 2.689 -12.794 13.206 1.00 0.00 H new ATOM 0 HZ PHE A 547 1.650 -11.328 14.891 1.00 0.00 H new ATOM 212 N ASP A 548 5.959 -8.511 8.579 1.00 0.00 N ATOM 213 CA ASP A 548 6.956 -8.133 7.583 1.00 0.00 C ATOM 214 C ASP A 548 6.703 -6.719 7.071 1.00 0.00 C ATOM 215 O ASP A 548 7.625 -5.908 6.975 1.00 0.00 O ATOM 216 CB ASP A 548 6.941 -9.122 6.416 1.00 0.00 C ATOM 217 CG ASP A 548 8.058 -8.863 5.425 1.00 0.00 C ATOM 218 OD1 ASP A 548 9.052 -8.210 5.807 1.00 0.00 O ATOM 219 OD2 ASP A 548 7.939 -9.313 4.266 1.00 0.00 O ATOM 0 H ASP A 548 5.672 -9.489 8.538 1.00 0.00 H new ATOM 0 HA ASP A 548 7.937 -8.158 8.058 1.00 0.00 H new ATOM 0 HB2 ASP A 548 7.030 -10.137 6.803 1.00 0.00 H new ATOM 0 HB3 ASP A 548 5.982 -9.059 5.903 1.00 0.00 H new ATOM 224 N PHE A 549 5.449 -6.429 6.742 1.00 0.00 N ATOM 225 CA PHE A 549 5.075 -5.113 6.238 1.00 0.00 C ATOM 226 C PHE A 549 5.840 -4.013 6.968 1.00 0.00 C ATOM 227 O PHE A 549 5.563 -3.715 8.131 1.00 0.00 O ATOM 228 CB PHE A 549 3.569 -4.892 6.393 1.00 0.00 C ATOM 229 CG PHE A 549 2.983 -3.996 5.340 1.00 0.00 C ATOM 230 CD1 PHE A 549 2.741 -4.473 4.062 1.00 0.00 C ATOM 231 CD2 PHE A 549 2.672 -2.677 5.629 1.00 0.00 C ATOM 232 CE1 PHE A 549 2.202 -3.650 3.091 1.00 0.00 C ATOM 233 CE2 PHE A 549 2.133 -1.849 4.662 1.00 0.00 C ATOM 234 CZ PHE A 549 1.896 -2.337 3.392 1.00 0.00 C ATOM 0 H PHE A 549 4.674 -7.088 6.815 1.00 0.00 H new ATOM 0 HA PHE A 549 5.334 -5.070 5.180 1.00 0.00 H new ATOM 0 HB2 PHE A 549 3.063 -5.857 6.360 1.00 0.00 H new ATOM 0 HB3 PHE A 549 3.372 -4.462 7.375 1.00 0.00 H new ATOM 0 HD1 PHE A 549 2.976 -5.499 3.822 1.00 0.00 H new ATOM 0 HD2 PHE A 549 2.853 -2.291 6.621 1.00 0.00 H new ATOM 0 HE1 PHE A 549 2.020 -4.033 2.098 1.00 0.00 H new ATOM 0 HE2 PHE A 549 1.898 -0.822 4.899 1.00 0.00 H new ATOM 0 HZ PHE A 549 1.472 -1.693 2.635 1.00 0.00 H new ATOM 244 N THR A 550 6.805 -3.413 6.278 1.00 0.00 N ATOM 245 CA THR A 550 7.611 -2.347 6.860 1.00 0.00 C ATOM 246 C THR A 550 7.173 -0.981 6.345 1.00 0.00 C ATOM 247 O THR A 550 6.675 -0.860 5.226 1.00 0.00 O ATOM 248 CB THR A 550 9.108 -2.543 6.552 1.00 0.00 C ATOM 249 OG1 THR A 550 9.274 -3.003 5.206 1.00 0.00 O ATOM 250 CG2 THR A 550 9.733 -3.541 7.515 1.00 0.00 C ATOM 0 H THR A 550 7.047 -3.647 5.315 1.00 0.00 H new ATOM 0 HA THR A 550 7.460 -2.390 7.939 1.00 0.00 H new ATOM 0 HB THR A 550 9.610 -1.583 6.673 1.00 0.00 H new ATOM 0 HG1 THR A 550 10.228 -3.124 5.017 1.00 0.00 H new ATOM 0 HG21 THR A 550 10.790 -3.663 7.278 1.00 0.00 H new ATOM 0 HG22 THR A 550 9.630 -3.174 8.536 1.00 0.00 H new ATOM 0 HG23 THR A 550 9.227 -4.502 7.422 1.00 0.00 H new ATOM 258 N TRP A 551 7.361 0.044 7.168 1.00 0.00 N ATOM 259 CA TRP A 551 6.984 1.403 6.794 1.00 0.00 C ATOM 260 C TRP A 551 7.209 1.639 5.305 1.00 0.00 C ATOM 261 O TRP A 551 6.333 2.154 4.608 1.00 0.00 O ATOM 262 CB TRP A 551 7.785 2.418 7.611 1.00 0.00 C ATOM 263 CG TRP A 551 9.248 2.421 7.286 1.00 0.00 C ATOM 264 CD1 TRP A 551 10.207 1.609 7.821 1.00 0.00 C ATOM 265 CD2 TRP A 551 9.917 3.277 6.354 1.00 0.00 C ATOM 266 NE1 TRP A 551 11.433 1.909 7.278 1.00 0.00 N ATOM 267 CE2 TRP A 551 11.282 2.928 6.375 1.00 0.00 C ATOM 268 CE3 TRP A 551 9.497 4.303 5.503 1.00 0.00 C ATOM 269 CZ2 TRP A 551 12.226 3.571 5.578 1.00 0.00 C ATOM 270 CZ3 TRP A 551 10.435 4.939 4.713 1.00 0.00 C ATOM 271 CH2 TRP A 551 11.787 4.571 4.754 1.00 0.00 C ATOM 0 H TRP A 551 7.772 -0.039 8.098 1.00 0.00 H new ATOM 0 HA TRP A 551 5.923 1.532 7.007 1.00 0.00 H new ATOM 0 HB2 TRP A 551 7.380 3.415 7.437 1.00 0.00 H new ATOM 0 HB3 TRP A 551 7.656 2.202 8.672 1.00 0.00 H new ATOM 0 HD1 TRP A 551 10.028 0.844 8.562 1.00 0.00 H new ATOM 0 HE1 TRP A 551 12.313 1.448 7.510 1.00 0.00 H new ATOM 0 HE3 TRP A 551 8.458 4.593 5.464 1.00 0.00 H new ATOM 0 HZ2 TRP A 551 13.268 3.290 5.609 1.00 0.00 H new ATOM 0 HZ3 TRP A 551 10.121 5.734 4.052 1.00 0.00 H new ATOM 0 HH2 TRP A 551 12.496 5.087 4.123 1.00 0.00 H new ATOM 282 N LYS A 552 8.387 1.260 4.820 1.00 0.00 N ATOM 283 CA LYS A 552 8.726 1.430 3.413 1.00 0.00 C ATOM 284 C LYS A 552 7.616 0.890 2.516 1.00 0.00 C ATOM 285 O LYS A 552 7.199 1.550 1.565 1.00 0.00 O ATOM 286 CB LYS A 552 10.043 0.718 3.095 1.00 0.00 C ATOM 287 CG LYS A 552 11.269 1.596 3.280 1.00 0.00 C ATOM 288 CD LYS A 552 12.436 1.108 2.438 1.00 0.00 C ATOM 289 CE LYS A 552 13.627 2.048 2.539 1.00 0.00 C ATOM 290 NZ LYS A 552 14.919 1.328 2.363 1.00 0.00 N ATOM 0 H LYS A 552 9.123 0.833 5.382 1.00 0.00 H new ATOM 0 HA LYS A 552 8.840 2.497 3.219 1.00 0.00 H new ATOM 0 HB2 LYS A 552 10.135 -0.160 3.734 1.00 0.00 H new ATOM 0 HB3 LYS A 552 10.014 0.361 2.066 1.00 0.00 H new ATOM 0 HG2 LYS A 552 11.027 2.623 3.007 1.00 0.00 H new ATOM 0 HG3 LYS A 552 11.556 1.605 4.331 1.00 0.00 H new ATOM 0 HD2 LYS A 552 12.730 0.110 2.765 1.00 0.00 H new ATOM 0 HD3 LYS A 552 12.125 1.024 1.397 1.00 0.00 H new ATOM 0 HE2 LYS A 552 13.540 2.827 1.782 1.00 0.00 H new ATOM 0 HE3 LYS A 552 13.617 2.544 3.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 552 15.706 2.004 2.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 552 15.015 0.601 3.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 552 14.940 0.876 1.427 1.00 0.00 H new ATOM 304 N MET A 553 7.141 -0.311 2.829 1.00 0.00 N ATOM 305 CA MET A 553 6.076 -0.937 2.052 1.00 0.00 C ATOM 306 C MET A 553 4.835 -0.051 2.019 1.00 0.00 C ATOM 307 O MET A 553 4.413 0.404 0.955 1.00 0.00 O ATOM 308 CB MET A 553 5.725 -2.305 2.639 1.00 0.00 C ATOM 309 CG MET A 553 6.862 -3.311 2.558 1.00 0.00 C ATOM 310 SD MET A 553 6.924 -4.163 0.971 1.00 0.00 S ATOM 311 CE MET A 553 5.630 -5.382 1.190 1.00 0.00 C ATOM 0 H MET A 553 7.476 -0.870 3.614 1.00 0.00 H new ATOM 0 HA MET A 553 6.434 -1.069 1.031 1.00 0.00 H new ATOM 0 HB2 MET A 553 5.435 -2.180 3.682 1.00 0.00 H new ATOM 0 HB3 MET A 553 4.858 -2.705 2.113 1.00 0.00 H new ATOM 0 HG2 MET A 553 7.809 -2.798 2.728 1.00 0.00 H new ATOM 0 HG3 MET A 553 6.750 -4.045 3.356 1.00 0.00 H new ATOM 0 HE1 MET A 553 6.045 -6.381 1.057 1.00 0.00 H new ATOM 0 HE2 MET A 553 5.212 -5.293 2.193 1.00 0.00 H new ATOM 0 HE3 MET A 553 4.844 -5.215 0.453 1.00 0.00 H new ATOM 321 N LEU A 554 4.254 0.190 3.189 1.00 0.00 N ATOM 322 CA LEU A 554 3.060 1.021 3.294 1.00 0.00 C ATOM 323 C LEU A 554 3.112 2.177 2.300 1.00 0.00 C ATOM 324 O LEU A 554 2.121 2.489 1.640 1.00 0.00 O ATOM 325 CB LEU A 554 2.915 1.563 4.717 1.00 0.00 C ATOM 326 CG LEU A 554 1.587 2.247 5.043 1.00 0.00 C ATOM 327 CD1 LEU A 554 0.440 1.252 4.960 1.00 0.00 C ATOM 328 CD2 LEU A 554 1.641 2.887 6.423 1.00 0.00 C ATOM 0 H LEU A 554 4.591 -0.178 4.079 1.00 0.00 H new ATOM 0 HA LEU A 554 2.195 0.402 3.058 1.00 0.00 H new ATOM 0 HB2 LEU A 554 3.056 0.738 5.415 1.00 0.00 H new ATOM 0 HB3 LEU A 554 3.721 2.274 4.897 1.00 0.00 H new ATOM 0 HG LEU A 554 1.414 3.032 4.307 1.00 0.00 H new ATOM 0 HD11 LEU A 554 -0.497 1.757 5.195 1.00 0.00 H new ATOM 0 HD12 LEU A 554 0.388 0.840 3.952 1.00 0.00 H new ATOM 0 HD13 LEU A 554 0.606 0.445 5.673 1.00 0.00 H new ATOM 0 HD21 LEU A 554 0.687 3.369 6.638 1.00 0.00 H new ATOM 0 HD22 LEU A 554 1.837 2.120 7.172 1.00 0.00 H new ATOM 0 HD23 LEU A 554 2.437 3.631 6.448 1.00 0.00 H new ATOM 340 N LYS A 555 4.276 2.809 2.196 1.00 0.00 N ATOM 341 CA LYS A 555 4.461 3.928 1.280 1.00 0.00 C ATOM 342 C LYS A 555 4.466 3.451 -0.168 1.00 0.00 C ATOM 343 O LYS A 555 3.520 3.697 -0.916 1.00 0.00 O ATOM 344 CB LYS A 555 5.769 4.659 1.592 1.00 0.00 C ATOM 345 CG LYS A 555 6.165 5.676 0.536 1.00 0.00 C ATOM 346 CD LYS A 555 7.659 5.948 0.556 1.00 0.00 C ATOM 347 CE LYS A 555 7.988 7.301 -0.056 1.00 0.00 C ATOM 348 NZ LYS A 555 8.134 7.219 -1.536 1.00 0.00 N ATOM 0 H LYS A 555 5.106 2.565 2.736 1.00 0.00 H new ATOM 0 HA LYS A 555 3.626 4.616 1.414 1.00 0.00 H new ATOM 0 HB2 LYS A 555 5.672 5.164 2.553 1.00 0.00 H new ATOM 0 HB3 LYS A 555 6.569 3.926 1.696 1.00 0.00 H new ATOM 0 HG2 LYS A 555 5.874 5.311 -0.449 1.00 0.00 H new ATOM 0 HG3 LYS A 555 5.623 6.606 0.704 1.00 0.00 H new ATOM 0 HD2 LYS A 555 8.022 5.914 1.583 1.00 0.00 H new ATOM 0 HD3 LYS A 555 8.180 5.163 0.008 1.00 0.00 H new ATOM 0 HE2 LYS A 555 7.201 8.013 0.193 1.00 0.00 H new ATOM 0 HE3 LYS A 555 8.912 7.682 0.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 555 8.358 8.161 -1.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 555 8.902 6.559 -1.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 555 7.244 6.880 -1.954 1.00 0.00 H new ATOM 362 N ASP A 556 5.536 2.766 -0.557 1.00 0.00 N ATOM 363 CA ASP A 556 5.663 2.252 -1.916 1.00 0.00 C ATOM 364 C ASP A 556 4.409 1.486 -2.326 1.00 0.00 C ATOM 365 O ASP A 556 3.732 1.850 -3.288 1.00 0.00 O ATOM 366 CB ASP A 556 6.889 1.345 -2.028 1.00 0.00 C ATOM 367 CG ASP A 556 7.168 0.923 -3.457 1.00 0.00 C ATOM 368 OD1 ASP A 556 6.227 0.951 -4.278 1.00 0.00 O ATOM 369 OD2 ASP A 556 8.327 0.564 -3.755 1.00 0.00 O ATOM 0 H ASP A 556 6.328 2.554 0.050 1.00 0.00 H new ATOM 0 HA ASP A 556 5.786 3.100 -2.589 1.00 0.00 H new ATOM 0 HB2 ASP A 556 7.760 1.865 -1.629 1.00 0.00 H new ATOM 0 HB3 ASP A 556 6.738 0.458 -1.413 1.00 0.00 H new ATOM 374 N LYS A 557 4.104 0.422 -1.590 1.00 0.00 N ATOM 375 CA LYS A 557 2.932 -0.396 -1.876 1.00 0.00 C ATOM 376 C LYS A 557 1.761 0.470 -2.330 1.00 0.00 C ATOM 377 O LYS A 557 1.139 0.202 -3.358 1.00 0.00 O ATOM 378 CB LYS A 557 2.533 -1.203 -0.638 1.00 0.00 C ATOM 379 CG LYS A 557 1.137 -1.796 -0.722 1.00 0.00 C ATOM 380 CD LYS A 557 0.964 -2.638 -1.975 1.00 0.00 C ATOM 381 CE LYS A 557 1.407 -4.074 -1.747 1.00 0.00 C ATOM 382 NZ LYS A 557 2.836 -4.278 -2.112 1.00 0.00 N ATOM 0 H LYS A 557 4.653 0.106 -0.790 1.00 0.00 H new ATOM 0 HA LYS A 557 3.188 -1.082 -2.683 1.00 0.00 H new ATOM 0 HB2 LYS A 557 3.253 -2.009 -0.492 1.00 0.00 H new ATOM 0 HB3 LYS A 557 2.593 -0.559 0.240 1.00 0.00 H new ATOM 0 HG2 LYS A 557 0.948 -2.409 0.159 1.00 0.00 H new ATOM 0 HG3 LYS A 557 0.399 -0.994 -0.717 1.00 0.00 H new ATOM 0 HD2 LYS A 557 -0.081 -2.623 -2.283 1.00 0.00 H new ATOM 0 HD3 LYS A 557 1.543 -2.203 -2.790 1.00 0.00 H new ATOM 0 HE2 LYS A 557 1.258 -4.338 -0.700 1.00 0.00 H new ATOM 0 HE3 LYS A 557 0.782 -4.745 -2.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 557 2.896 -4.890 -2.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 557 3.275 -3.359 -2.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 557 3.336 -4.728 -1.319 1.00 0.00 H new ATOM 396 N PHE A 558 1.467 1.511 -1.558 1.00 0.00 N ATOM 397 CA PHE A 558 0.371 2.418 -1.882 1.00 0.00 C ATOM 398 C PHE A 558 0.770 3.376 -3.000 1.00 0.00 C ATOM 399 O PHE A 558 -0.074 3.843 -3.762 1.00 0.00 O ATOM 400 CB PHE A 558 -0.047 3.209 -0.641 1.00 0.00 C ATOM 401 CG PHE A 558 -0.852 2.405 0.340 1.00 0.00 C ATOM 402 CD1 PHE A 558 -0.444 1.136 0.716 1.00 0.00 C ATOM 403 CD2 PHE A 558 -2.018 2.919 0.885 1.00 0.00 C ATOM 404 CE1 PHE A 558 -1.183 0.394 1.617 1.00 0.00 C ATOM 405 CE2 PHE A 558 -2.762 2.182 1.787 1.00 0.00 C ATOM 406 CZ PHE A 558 -2.343 0.918 2.155 1.00 0.00 C ATOM 0 H PHE A 558 1.972 1.748 -0.704 1.00 0.00 H new ATOM 0 HA PHE A 558 -0.474 1.820 -2.225 1.00 0.00 H new ATOM 0 HB2 PHE A 558 0.846 3.586 -0.143 1.00 0.00 H new ATOM 0 HB3 PHE A 558 -0.629 4.076 -0.952 1.00 0.00 H new ATOM 0 HD1 PHE A 558 0.462 0.722 0.300 1.00 0.00 H new ATOM 0 HD2 PHE A 558 -2.349 3.907 0.602 1.00 0.00 H new ATOM 0 HE1 PHE A 558 -0.854 -0.595 1.901 1.00 0.00 H new ATOM 0 HE2 PHE A 558 -3.669 2.594 2.203 1.00 0.00 H new ATOM 0 HZ PHE A 558 -2.921 0.341 2.862 1.00 0.00 H new ATOM 416 N ASN A 559 2.065 3.666 -3.089 1.00 0.00 N ATOM 417 CA ASN A 559 2.577 4.570 -4.113 1.00 0.00 C ATOM 418 C ASN A 559 2.017 4.210 -5.486 1.00 0.00 C ATOM 419 O ASN A 559 1.991 5.041 -6.393 1.00 0.00 O ATOM 420 CB ASN A 559 4.106 4.523 -4.145 1.00 0.00 C ATOM 421 CG ASN A 559 4.706 5.722 -4.855 1.00 0.00 C ATOM 422 OD1 ASN A 559 4.125 6.250 -5.803 1.00 0.00 O ATOM 423 ND2 ASN A 559 5.874 6.157 -4.397 1.00 0.00 N ATOM 0 H ASN A 559 2.778 3.288 -2.465 1.00 0.00 H new ATOM 0 HA ASN A 559 2.256 5.581 -3.863 1.00 0.00 H new ATOM 0 HB2 ASN A 559 4.487 4.480 -3.125 1.00 0.00 H new ATOM 0 HB3 ASN A 559 4.428 3.609 -4.644 1.00 0.00 H new ATOM 0 HD21 ASN A 559 6.326 6.960 -4.834 1.00 0.00 H new ATOM 0 HD22 ASN A 559 6.319 5.688 -3.608 1.00 0.00 H new ATOM 430 N GLU A 560 1.570 2.966 -5.629 1.00 0.00 N ATOM 431 CA GLU A 560 1.011 2.497 -6.892 1.00 0.00 C ATOM 432 C GLU A 560 -0.254 3.271 -7.247 1.00 0.00 C ATOM 433 O GLU A 560 -0.421 3.721 -8.382 1.00 0.00 O ATOM 434 CB GLU A 560 0.702 1.000 -6.813 1.00 0.00 C ATOM 435 CG GLU A 560 1.939 0.119 -6.863 1.00 0.00 C ATOM 436 CD GLU A 560 1.615 -1.352 -6.687 1.00 0.00 C ATOM 437 OE1 GLU A 560 0.790 -1.874 -7.466 1.00 0.00 O ATOM 438 OE2 GLU A 560 2.185 -1.980 -5.770 1.00 0.00 O ATOM 0 H GLU A 560 1.584 2.266 -4.887 1.00 0.00 H new ATOM 0 HA GLU A 560 1.751 2.667 -7.674 1.00 0.00 H new ATOM 0 HB2 GLU A 560 0.160 0.798 -5.889 1.00 0.00 H new ATOM 0 HB3 GLU A 560 0.041 0.730 -7.636 1.00 0.00 H new ATOM 0 HG2 GLU A 560 2.445 0.264 -7.817 1.00 0.00 H new ATOM 0 HG3 GLU A 560 2.634 0.430 -6.083 1.00 0.00 H new ATOM 445 N CYS A 561 -1.143 3.421 -6.271 1.00 0.00 N ATOM 446 CA CYS A 561 -2.395 4.140 -6.481 1.00 0.00 C ATOM 447 C CYS A 561 -2.136 5.622 -6.728 1.00 0.00 C ATOM 448 O CYS A 561 -2.604 6.188 -7.716 1.00 0.00 O ATOM 449 CB CYS A 561 -3.315 3.965 -5.272 1.00 0.00 C ATOM 450 SG CYS A 561 -3.879 2.267 -5.013 1.00 0.00 S ATOM 0 H CYS A 561 -1.020 3.055 -5.327 1.00 0.00 H new ATOM 0 HA CYS A 561 -2.882 3.724 -7.363 1.00 0.00 H new ATOM 0 HB2 CYS A 561 -2.791 4.303 -4.378 1.00 0.00 H new ATOM 0 HB3 CYS A 561 -4.185 4.611 -5.394 1.00 0.00 H new ATOM 0 HG CYS A 561 -3.521 1.867 -3.829 1.00 0.00 H new ATOM 456 N GLY A 562 -1.388 6.247 -5.823 1.00 0.00 N ATOM 457 CA GLY A 562 -1.082 7.658 -5.961 1.00 0.00 C ATOM 458 C GLY A 562 0.217 8.039 -5.277 1.00 0.00 C ATOM 459 O GLY A 562 1.059 7.182 -5.008 1.00 0.00 O ATOM 0 H GLY A 562 -0.989 5.801 -4.997 1.00 0.00 H new ATOM 0 HA2 GLY A 562 -1.020 7.911 -7.019 1.00 0.00 H new ATOM 0 HA3 GLY A 562 -1.897 8.246 -5.540 1.00 0.00 H new ATOM 463 N HIS A 563 0.380 9.328 -4.997 1.00 0.00 N ATOM 464 CA HIS A 563 1.587 9.821 -4.341 1.00 0.00 C ATOM 465 C HIS A 563 1.437 9.775 -2.824 1.00 0.00 C ATOM 466 O HIS A 563 0.507 10.355 -2.263 1.00 0.00 O ATOM 467 CB HIS A 563 1.891 11.249 -4.793 1.00 0.00 C ATOM 468 CG HIS A 563 3.070 11.859 -4.099 1.00 0.00 C ATOM 469 ND1 HIS A 563 4.222 12.230 -4.758 1.00 0.00 N ATOM 470 CD2 HIS A 563 3.270 12.163 -2.795 1.00 0.00 C ATOM 471 CE1 HIS A 563 5.081 12.734 -3.890 1.00 0.00 C ATOM 472 NE2 HIS A 563 4.527 12.706 -2.692 1.00 0.00 N ATOM 0 H HIS A 563 -0.307 10.050 -5.214 1.00 0.00 H new ATOM 0 HA HIS A 563 2.417 9.174 -4.626 1.00 0.00 H new ATOM 0 HB2 HIS A 563 2.072 11.250 -5.868 1.00 0.00 H new ATOM 0 HB3 HIS A 563 1.014 11.872 -4.617 1.00 0.00 H new ATOM 0 HD1 HIS A 563 4.386 12.131 -5.760 1.00 0.00 H new ATOM 0 HD2 HIS A 563 2.571 12.007 -1.986 1.00 0.00 H new ATOM 0 HE1 HIS A 563 6.068 13.106 -4.121 1.00 0.00 H new ATOM 481 N VAL A 564 2.359 9.081 -2.163 1.00 0.00 N ATOM 482 CA VAL A 564 2.330 8.960 -0.711 1.00 0.00 C ATOM 483 C VAL A 564 3.162 10.055 -0.051 1.00 0.00 C ATOM 484 O VAL A 564 4.307 10.296 -0.435 1.00 0.00 O ATOM 485 CB VAL A 564 2.853 7.586 -0.251 1.00 0.00 C ATOM 486 CG1 VAL A 564 2.904 7.514 1.267 1.00 0.00 C ATOM 487 CG2 VAL A 564 1.988 6.471 -0.818 1.00 0.00 C ATOM 0 H VAL A 564 3.135 8.594 -2.611 1.00 0.00 H new ATOM 0 HA VAL A 564 1.289 9.065 -0.406 1.00 0.00 H new ATOM 0 HB VAL A 564 3.867 7.457 -0.630 1.00 0.00 H new ATOM 0 HG11 VAL A 564 3.276 6.536 1.573 1.00 0.00 H new ATOM 0 HG12 VAL A 564 3.569 8.290 1.646 1.00 0.00 H new ATOM 0 HG13 VAL A 564 1.903 7.664 1.672 1.00 0.00 H new ATOM 0 HG21 VAL A 564 2.371 5.507 -0.483 1.00 0.00 H new ATOM 0 HG22 VAL A 564 0.962 6.594 -0.471 1.00 0.00 H new ATOM 0 HG23 VAL A 564 2.010 6.512 -1.907 1.00 0.00 H new ATOM 497 N LEU A 565 2.579 10.715 0.943 1.00 0.00 N ATOM 498 CA LEU A 565 3.266 11.785 1.658 1.00 0.00 C ATOM 499 C LEU A 565 3.745 11.307 3.025 1.00 0.00 C ATOM 500 O LEU A 565 4.864 11.606 3.442 1.00 0.00 O ATOM 501 CB LEU A 565 2.341 12.992 1.822 1.00 0.00 C ATOM 502 CG LEU A 565 1.973 13.735 0.537 1.00 0.00 C ATOM 503 CD1 LEU A 565 0.898 14.775 0.812 1.00 0.00 C ATOM 504 CD2 LEU A 565 3.206 14.388 -0.072 1.00 0.00 C ATOM 0 H LEU A 565 1.632 10.528 1.273 1.00 0.00 H new ATOM 0 HA LEU A 565 4.136 12.079 1.072 1.00 0.00 H new ATOM 0 HB2 LEU A 565 1.421 12.657 2.300 1.00 0.00 H new ATOM 0 HB3 LEU A 565 2.816 13.698 2.503 1.00 0.00 H new ATOM 0 HG LEU A 565 1.577 13.013 -0.178 1.00 0.00 H new ATOM 0 HD11 LEU A 565 0.649 15.294 -0.114 1.00 0.00 H new ATOM 0 HD12 LEU A 565 0.008 14.283 1.204 1.00 0.00 H new ATOM 0 HD13 LEU A 565 1.266 15.494 1.543 1.00 0.00 H new ATOM 0 HD21 LEU A 565 2.926 14.912 -0.986 1.00 0.00 H new ATOM 0 HD22 LEU A 565 3.630 15.098 0.638 1.00 0.00 H new ATOM 0 HD23 LEU A 565 3.946 13.622 -0.305 1.00 0.00 H new ATOM 516 N TYR A 566 2.891 10.561 3.717 1.00 0.00 N ATOM 517 CA TYR A 566 3.226 10.042 5.038 1.00 0.00 C ATOM 518 C TYR A 566 2.905 8.553 5.135 1.00 0.00 C ATOM 519 O TYR A 566 1.907 8.085 4.589 1.00 0.00 O ATOM 520 CB TYR A 566 2.465 10.810 6.120 1.00 0.00 C ATOM 521 CG TYR A 566 2.729 10.305 7.520 1.00 0.00 C ATOM 522 CD1 TYR A 566 3.981 10.444 8.106 1.00 0.00 C ATOM 523 CD2 TYR A 566 1.726 9.689 8.258 1.00 0.00 C ATOM 524 CE1 TYR A 566 4.227 9.984 9.385 1.00 0.00 C ATOM 525 CE2 TYR A 566 1.962 9.227 9.538 1.00 0.00 C ATOM 526 CZ TYR A 566 3.214 9.376 10.097 1.00 0.00 C ATOM 527 OH TYR A 566 3.454 8.917 11.372 1.00 0.00 O ATOM 0 H TYR A 566 1.962 10.302 3.385 1.00 0.00 H new ATOM 0 HA TYR A 566 4.297 10.176 5.192 1.00 0.00 H new ATOM 0 HB2 TYR A 566 2.738 11.864 6.066 1.00 0.00 H new ATOM 0 HB3 TYR A 566 1.396 10.746 5.915 1.00 0.00 H new ATOM 0 HD1 TYR A 566 4.776 10.920 7.552 1.00 0.00 H new ATOM 0 HD2 TYR A 566 0.745 9.569 7.823 1.00 0.00 H new ATOM 0 HE1 TYR A 566 5.207 10.100 9.825 1.00 0.00 H new ATOM 0 HE2 TYR A 566 1.170 8.752 10.098 1.00 0.00 H new ATOM 0 HH TYR A 566 2.637 8.516 11.735 1.00 0.00 H new ATOM 537 N ALA A 567 3.761 7.815 5.835 1.00 0.00 N ATOM 538 CA ALA A 567 3.568 6.380 6.007 1.00 0.00 C ATOM 539 C ALA A 567 4.367 5.858 7.196 1.00 0.00 C ATOM 540 O ALA A 567 5.597 5.918 7.205 1.00 0.00 O ATOM 541 CB ALA A 567 3.963 5.639 4.738 1.00 0.00 C ATOM 0 H ALA A 567 4.594 8.187 6.292 1.00 0.00 H new ATOM 0 HA ALA A 567 2.511 6.201 6.206 1.00 0.00 H new ATOM 0 HB1 ALA A 567 3.814 4.569 4.880 1.00 0.00 H new ATOM 0 HB2 ALA A 567 3.346 5.984 3.908 1.00 0.00 H new ATOM 0 HB3 ALA A 567 5.012 5.833 4.515 1.00 0.00 H new ATOM 547 N ASP A 568 3.660 5.347 8.198 1.00 0.00 N ATOM 548 CA ASP A 568 4.304 4.814 9.394 1.00 0.00 C ATOM 549 C ASP A 568 3.542 3.605 9.927 1.00 0.00 C ATOM 550 O ASP A 568 2.337 3.474 9.712 1.00 0.00 O ATOM 551 CB ASP A 568 4.395 5.892 10.474 1.00 0.00 C ATOM 552 CG ASP A 568 5.481 5.603 11.491 1.00 0.00 C ATOM 553 OD1 ASP A 568 6.667 5.582 11.102 1.00 0.00 O ATOM 554 OD2 ASP A 568 5.145 5.397 12.676 1.00 0.00 O ATOM 0 H ASP A 568 2.642 5.290 8.206 1.00 0.00 H new ATOM 0 HA ASP A 568 5.311 4.497 9.124 1.00 0.00 H new ATOM 0 HB2 ASP A 568 4.588 6.857 10.005 1.00 0.00 H new ATOM 0 HB3 ASP A 568 3.435 5.972 10.985 1.00 0.00 H new ATOM 559 N ILE A 569 4.253 2.723 10.622 1.00 0.00 N ATOM 560 CA ILE A 569 3.644 1.525 11.186 1.00 0.00 C ATOM 561 C ILE A 569 3.454 1.663 12.693 1.00 0.00 C ATOM 562 O ILE A 569 4.393 1.480 13.468 1.00 0.00 O ATOM 563 CB ILE A 569 4.494 0.273 10.900 1.00 0.00 C ATOM 564 CG1 ILE A 569 4.716 0.115 9.394 1.00 0.00 C ATOM 565 CG2 ILE A 569 3.823 -0.965 11.475 1.00 0.00 C ATOM 566 CD1 ILE A 569 3.444 -0.154 8.621 1.00 0.00 C ATOM 0 H ILE A 569 5.252 2.816 10.808 1.00 0.00 H new ATOM 0 HA ILE A 569 2.671 1.410 10.708 1.00 0.00 H new ATOM 0 HB ILE A 569 5.465 0.392 11.381 1.00 0.00 H new ATOM 0 HG12 ILE A 569 5.182 1.021 9.007 1.00 0.00 H new ATOM 0 HG13 ILE A 569 5.416 -0.703 9.222 1.00 0.00 H new ATOM 0 HG21 ILE A 569 4.436 -1.842 11.265 1.00 0.00 H new ATOM 0 HG22 ILE A 569 3.711 -0.851 12.553 1.00 0.00 H new ATOM 0 HG23 ILE A 569 2.841 -1.091 11.020 1.00 0.00 H new ATOM 0 HD11 ILE A 569 3.677 -0.255 7.561 1.00 0.00 H new ATOM 0 HD12 ILE A 569 2.987 -1.076 8.981 1.00 0.00 H new ATOM 0 HD13 ILE A 569 2.750 0.674 8.763 1.00 0.00 H new ATOM 578 N LYS A 570 2.231 1.984 13.103 1.00 0.00 N ATOM 579 CA LYS A 570 1.914 2.143 14.517 1.00 0.00 C ATOM 580 C LYS A 570 2.383 0.933 15.319 1.00 0.00 C ATOM 581 O LYS A 570 1.666 -0.061 15.436 1.00 0.00 O ATOM 582 CB LYS A 570 0.409 2.340 14.705 1.00 0.00 C ATOM 583 CG LYS A 570 -0.119 3.621 14.081 1.00 0.00 C ATOM 584 CD LYS A 570 0.518 4.850 14.707 1.00 0.00 C ATOM 585 CE LYS A 570 -0.265 6.112 14.379 1.00 0.00 C ATOM 586 NZ LYS A 570 0.476 7.342 14.773 1.00 0.00 N ATOM 0 H LYS A 570 1.443 2.139 12.475 1.00 0.00 H new ATOM 0 HA LYS A 570 2.438 3.026 14.884 1.00 0.00 H new ATOM 0 HB2 LYS A 570 -0.117 1.490 14.270 1.00 0.00 H new ATOM 0 HB3 LYS A 570 0.182 2.344 15.771 1.00 0.00 H new ATOM 0 HG2 LYS A 570 0.079 3.613 13.009 1.00 0.00 H new ATOM 0 HG3 LYS A 570 -1.201 3.668 14.205 1.00 0.00 H new ATOM 0 HD2 LYS A 570 0.570 4.723 15.788 1.00 0.00 H new ATOM 0 HD3 LYS A 570 1.542 4.953 14.349 1.00 0.00 H new ATOM 0 HE2 LYS A 570 -0.475 6.141 13.310 1.00 0.00 H new ATOM 0 HE3 LYS A 570 -1.226 6.087 14.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 570 -0.091 8.180 14.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 570 0.655 7.326 15.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 570 1.382 7.379 14.264 1.00 0.00 H new ATOM 600 N MET A 571 3.589 1.024 15.869 1.00 0.00 N ATOM 601 CA MET A 571 4.151 -0.063 16.663 1.00 0.00 C ATOM 602 C MET A 571 3.653 0.002 18.103 1.00 0.00 C ATOM 603 O MET A 571 3.197 1.047 18.565 1.00 0.00 O ATOM 604 CB MET A 571 5.679 -0.005 16.635 1.00 0.00 C ATOM 605 CG MET A 571 6.277 -0.361 15.284 1.00 0.00 C ATOM 606 SD MET A 571 8.075 -0.487 15.331 1.00 0.00 S ATOM 607 CE MET A 571 8.286 -2.259 15.484 1.00 0.00 C ATOM 0 H MET A 571 4.196 1.839 15.780 1.00 0.00 H new ATOM 0 HA MET A 571 3.823 -1.007 16.227 1.00 0.00 H new ATOM 0 HB2 MET A 571 6.001 0.999 16.912 1.00 0.00 H new ATOM 0 HB3 MET A 571 6.074 -0.686 17.389 1.00 0.00 H new ATOM 0 HG2 MET A 571 5.859 -1.309 14.945 1.00 0.00 H new ATOM 0 HG3 MET A 571 5.989 0.394 14.553 1.00 0.00 H new ATOM 0 HE1 MET A 571 9.349 -2.497 15.525 1.00 0.00 H new ATOM 0 HE2 MET A 571 7.801 -2.606 16.396 1.00 0.00 H new ATOM 0 HE3 MET A 571 7.837 -2.755 14.623 1.00 0.00 H new ATOM 617 N GLU A 572 3.746 -1.122 18.807 1.00 0.00 N ATOM 618 CA GLU A 572 3.303 -1.191 20.195 1.00 0.00 C ATOM 619 C GLU A 572 3.894 -2.412 20.894 1.00 0.00 C ATOM 620 O GLU A 572 3.701 -3.545 20.456 1.00 0.00 O ATOM 621 CB GLU A 572 1.776 -1.240 20.265 1.00 0.00 C ATOM 622 CG GLU A 572 1.236 -1.423 21.674 1.00 0.00 C ATOM 623 CD GLU A 572 -0.169 -1.993 21.691 1.00 0.00 C ATOM 624 OE1 GLU A 572 -1.002 -1.544 20.878 1.00 0.00 O ATOM 625 OE2 GLU A 572 -0.434 -2.891 22.519 1.00 0.00 O ATOM 0 H GLU A 572 4.123 -1.996 18.440 1.00 0.00 H new ATOM 0 HA GLU A 572 3.654 -0.295 20.706 1.00 0.00 H new ATOM 0 HB2 GLU A 572 1.372 -0.318 19.847 1.00 0.00 H new ATOM 0 HB3 GLU A 572 1.418 -2.057 19.639 1.00 0.00 H new ATOM 0 HG2 GLU A 572 1.899 -2.085 22.230 1.00 0.00 H new ATOM 0 HG3 GLU A 572 1.240 -0.462 22.188 1.00 0.00 H new ATOM 632 N ASN A 573 4.616 -2.171 21.984 1.00 0.00 N ATOM 633 CA ASN A 573 5.237 -3.250 22.744 1.00 0.00 C ATOM 634 C ASN A 573 6.428 -3.832 21.988 1.00 0.00 C ATOM 635 O ASN A 573 6.759 -5.007 22.140 1.00 0.00 O ATOM 636 CB ASN A 573 4.215 -4.351 23.034 1.00 0.00 C ATOM 637 CG ASN A 573 4.579 -5.169 24.258 1.00 0.00 C ATOM 638 OD1 ASN A 573 5.595 -4.919 24.906 1.00 0.00 O ATOM 639 ND2 ASN A 573 3.748 -6.154 24.579 1.00 0.00 N ATOM 0 H ASN A 573 4.785 -1.238 22.361 1.00 0.00 H new ATOM 0 HA ASN A 573 5.594 -2.838 23.688 1.00 0.00 H new ATOM 0 HB2 ASN A 573 3.232 -3.902 23.179 1.00 0.00 H new ATOM 0 HB3 ASN A 573 4.139 -5.010 22.169 1.00 0.00 H new ATOM 0 HD21 ASN A 573 3.941 -6.739 25.392 1.00 0.00 H new ATOM 0 HD22 ASN A 573 2.917 -6.325 24.013 1.00 0.00 H new ATOM 646 N GLY A 574 7.069 -3.000 21.173 1.00 0.00 N ATOM 647 CA GLY A 574 8.216 -3.449 20.406 1.00 0.00 C ATOM 648 C GLY A 574 7.817 -4.167 19.132 1.00 0.00 C ATOM 649 O GLY A 574 8.608 -4.270 18.194 1.00 0.00 O ATOM 0 H GLY A 574 6.814 -2.023 21.030 1.00 0.00 H new ATOM 0 HA2 GLY A 574 8.840 -2.591 20.156 1.00 0.00 H new ATOM 0 HA3 GLY A 574 8.822 -4.115 21.020 1.00 0.00 H new ATOM 653 N LYS A 575 6.586 -4.666 19.097 1.00 0.00 N ATOM 654 CA LYS A 575 6.081 -5.378 17.929 1.00 0.00 C ATOM 655 C LYS A 575 4.986 -4.576 17.234 1.00 0.00 C ATOM 656 O LYS A 575 4.297 -3.773 17.863 1.00 0.00 O ATOM 657 CB LYS A 575 5.543 -6.751 18.336 1.00 0.00 C ATOM 658 CG LYS A 575 4.423 -6.685 19.360 1.00 0.00 C ATOM 659 CD LYS A 575 3.061 -6.595 18.693 1.00 0.00 C ATOM 660 CE LYS A 575 2.491 -7.975 18.401 1.00 0.00 C ATOM 661 NZ LYS A 575 2.026 -8.656 19.641 1.00 0.00 N ATOM 0 H LYS A 575 5.919 -4.590 19.865 1.00 0.00 H new ATOM 0 HA LYS A 575 6.907 -5.511 17.231 1.00 0.00 H new ATOM 0 HB2 LYS A 575 5.182 -7.269 17.447 1.00 0.00 H new ATOM 0 HB3 LYS A 575 6.361 -7.347 18.742 1.00 0.00 H new ATOM 0 HG2 LYS A 575 4.459 -7.569 19.997 1.00 0.00 H new ATOM 0 HG3 LYS A 575 4.570 -5.820 20.006 1.00 0.00 H new ATOM 0 HD2 LYS A 575 2.375 -6.046 19.337 1.00 0.00 H new ATOM 0 HD3 LYS A 575 3.146 -6.031 17.764 1.00 0.00 H new ATOM 0 HE2 LYS A 575 1.659 -7.884 17.703 1.00 0.00 H new ATOM 0 HE3 LYS A 575 3.251 -8.586 17.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 575 1.423 -9.465 19.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 575 2.848 -8.993 20.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 575 1.481 -7.987 20.221 1.00 0.00 H new ATOM 675 N SER A 576 4.830 -4.800 15.933 1.00 0.00 N ATOM 676 CA SER A 576 3.819 -4.096 15.152 1.00 0.00 C ATOM 677 C SER A 576 2.452 -4.755 15.313 1.00 0.00 C ATOM 678 O SER A 576 2.326 -5.977 15.234 1.00 0.00 O ATOM 679 CB SER A 576 4.213 -4.068 13.674 1.00 0.00 C ATOM 680 OG SER A 576 4.145 -5.363 13.104 1.00 0.00 O ATOM 0 H SER A 576 5.390 -5.463 15.398 1.00 0.00 H new ATOM 0 HA SER A 576 3.756 -3.073 15.523 1.00 0.00 H new ATOM 0 HB2 SER A 576 3.552 -3.393 13.131 1.00 0.00 H new ATOM 0 HB3 SER A 576 5.224 -3.675 13.571 1.00 0.00 H new ATOM 0 HG SER A 576 3.868 -6.008 13.788 1.00 0.00 H new ATOM 686 N LYS A 577 1.430 -3.936 15.539 1.00 0.00 N ATOM 687 CA LYS A 577 0.072 -4.436 15.710 1.00 0.00 C ATOM 688 C LYS A 577 -0.621 -4.601 14.361 1.00 0.00 C ATOM 689 O LYS A 577 -1.846 -4.683 14.288 1.00 0.00 O ATOM 690 CB LYS A 577 -0.736 -3.486 16.597 1.00 0.00 C ATOM 691 CG LYS A 577 -0.114 -3.253 17.963 1.00 0.00 C ATOM 692 CD LYS A 577 -0.180 -4.501 18.827 1.00 0.00 C ATOM 693 CE LYS A 577 -1.557 -4.676 19.448 1.00 0.00 C ATOM 694 NZ LYS A 577 -1.790 -6.077 19.895 1.00 0.00 N ATOM 0 H LYS A 577 1.517 -2.922 15.608 1.00 0.00 H new ATOM 0 HA LYS A 577 0.129 -5.412 16.191 1.00 0.00 H new ATOM 0 HB2 LYS A 577 -0.842 -2.528 16.087 1.00 0.00 H new ATOM 0 HB3 LYS A 577 -1.740 -3.890 16.728 1.00 0.00 H new ATOM 0 HG2 LYS A 577 0.925 -2.947 17.843 1.00 0.00 H new ATOM 0 HG3 LYS A 577 -0.631 -2.435 18.464 1.00 0.00 H new ATOM 0 HD2 LYS A 577 0.062 -5.376 18.224 1.00 0.00 H new ATOM 0 HD3 LYS A 577 0.571 -4.440 19.615 1.00 0.00 H new ATOM 0 HE2 LYS A 577 -1.660 -4.002 20.298 1.00 0.00 H new ATOM 0 HE3 LYS A 577 -2.321 -4.394 18.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 577 -2.739 -6.155 20.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 577 -1.717 -6.718 19.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 577 -1.077 -6.338 20.606 1.00 0.00 H new ATOM 708 N GLY A 578 0.172 -4.652 13.295 1.00 0.00 N ATOM 709 CA GLY A 578 -0.383 -4.808 11.964 1.00 0.00 C ATOM 710 C GLY A 578 -1.331 -3.684 11.595 1.00 0.00 C ATOM 711 O GLY A 578 -2.454 -3.930 11.154 1.00 0.00 O ATOM 0 H GLY A 578 1.189 -4.588 13.330 1.00 0.00 H new ATOM 0 HA2 GLY A 578 0.429 -4.847 11.238 1.00 0.00 H new ATOM 0 HA3 GLY A 578 -0.911 -5.759 11.903 1.00 0.00 H new ATOM 715 N CYS A 579 -0.879 -2.448 11.777 1.00 0.00 N ATOM 716 CA CYS A 579 -1.697 -1.282 11.462 1.00 0.00 C ATOM 717 C CYS A 579 -0.830 -0.127 10.971 1.00 0.00 C ATOM 718 O CYS A 579 0.398 -0.197 11.014 1.00 0.00 O ATOM 719 CB CYS A 579 -2.497 -0.848 12.691 1.00 0.00 C ATOM 720 SG CYS A 579 -1.510 -0.689 14.197 1.00 0.00 S ATOM 0 H CYS A 579 0.048 -2.228 12.141 1.00 0.00 H new ATOM 0 HA CYS A 579 -2.389 -1.558 10.666 1.00 0.00 H new ATOM 0 HB2 CYS A 579 -2.975 0.109 12.480 1.00 0.00 H new ATOM 0 HB3 CYS A 579 -3.294 -1.571 12.866 1.00 0.00 H new ATOM 0 HG CYS A 579 -2.275 -0.316 15.180 1.00 0.00 H new ATOM 726 N GLY A 580 -1.478 0.936 10.503 1.00 0.00 N ATOM 727 CA GLY A 580 -0.750 2.090 10.009 1.00 0.00 C ATOM 728 C GLY A 580 -1.654 3.094 9.322 1.00 0.00 C ATOM 729 O GLY A 580 -2.863 2.885 9.220 1.00 0.00 O ATOM 0 H GLY A 580 -2.494 1.018 10.457 1.00 0.00 H new ATOM 0 HA2 GLY A 580 -0.238 2.576 10.840 1.00 0.00 H new ATOM 0 HA3 GLY A 580 0.018 1.759 9.310 1.00 0.00 H new ATOM 733 N VAL A 581 -1.068 4.189 8.849 1.00 0.00 N ATOM 734 CA VAL A 581 -1.828 5.231 8.168 1.00 0.00 C ATOM 735 C VAL A 581 -1.084 5.740 6.939 1.00 0.00 C ATOM 736 O VAL A 581 0.139 5.629 6.850 1.00 0.00 O ATOM 737 CB VAL A 581 -2.119 6.417 9.107 1.00 0.00 C ATOM 738 CG1 VAL A 581 -3.288 6.097 10.026 1.00 0.00 C ATOM 739 CG2 VAL A 581 -0.880 6.776 9.912 1.00 0.00 C ATOM 0 H VAL A 581 -0.069 4.378 8.925 1.00 0.00 H new ATOM 0 HA VAL A 581 -2.772 4.783 7.857 1.00 0.00 H new ATOM 0 HB VAL A 581 -2.392 7.280 8.499 1.00 0.00 H new ATOM 0 HG11 VAL A 581 -3.478 6.947 10.682 1.00 0.00 H new ATOM 0 HG12 VAL A 581 -4.176 5.894 9.428 1.00 0.00 H new ATOM 0 HG13 VAL A 581 -3.048 5.221 10.628 1.00 0.00 H new ATOM 0 HG21 VAL A 581 -1.104 7.616 10.570 1.00 0.00 H new ATOM 0 HG22 VAL A 581 -0.574 5.918 10.510 1.00 0.00 H new ATOM 0 HG23 VAL A 581 -0.073 7.052 9.234 1.00 0.00 H new ATOM 749 N VAL A 582 -1.830 6.299 5.992 1.00 0.00 N ATOM 750 CA VAL A 582 -1.242 6.827 4.767 1.00 0.00 C ATOM 751 C VAL A 582 -1.939 8.111 4.332 1.00 0.00 C ATOM 752 O VAL A 582 -3.166 8.207 4.366 1.00 0.00 O ATOM 753 CB VAL A 582 -1.316 5.802 3.620 1.00 0.00 C ATOM 754 CG1 VAL A 582 -0.884 6.436 2.307 1.00 0.00 C ATOM 755 CG2 VAL A 582 -0.463 4.584 3.940 1.00 0.00 C ATOM 0 H VAL A 582 -2.844 6.398 6.050 1.00 0.00 H new ATOM 0 HA VAL A 582 -0.196 7.041 4.986 1.00 0.00 H new ATOM 0 HB VAL A 582 -2.351 5.476 3.514 1.00 0.00 H new ATOM 0 HG11 VAL A 582 -0.943 5.696 1.509 1.00 0.00 H new ATOM 0 HG12 VAL A 582 -1.541 7.274 2.074 1.00 0.00 H new ATOM 0 HG13 VAL A 582 0.142 6.793 2.396 1.00 0.00 H new ATOM 0 HG21 VAL A 582 -0.526 3.870 3.119 1.00 0.00 H new ATOM 0 HG22 VAL A 582 0.574 4.891 4.074 1.00 0.00 H new ATOM 0 HG23 VAL A 582 -0.825 4.117 4.856 1.00 0.00 H new ATOM 765 N LYS A 583 -1.149 9.097 3.921 1.00 0.00 N ATOM 766 CA LYS A 583 -1.688 10.377 3.477 1.00 0.00 C ATOM 767 C LYS A 583 -1.388 10.610 2.000 1.00 0.00 C ATOM 768 O LYS A 583 -0.402 10.100 1.468 1.00 0.00 O ATOM 769 CB LYS A 583 -1.106 11.518 4.313 1.00 0.00 C ATOM 770 CG LYS A 583 -1.941 11.865 5.534 1.00 0.00 C ATOM 771 CD LYS A 583 -1.583 10.987 6.722 1.00 0.00 C ATOM 772 CE LYS A 583 -1.847 11.698 8.040 1.00 0.00 C ATOM 773 NZ LYS A 583 -3.248 11.503 8.505 1.00 0.00 N ATOM 0 H LYS A 583 -0.132 9.034 3.886 1.00 0.00 H new ATOM 0 HA LYS A 583 -2.769 10.353 3.611 1.00 0.00 H new ATOM 0 HB2 LYS A 583 -0.101 11.245 4.636 1.00 0.00 H new ATOM 0 HB3 LYS A 583 -1.009 12.404 3.686 1.00 0.00 H new ATOM 0 HG2 LYS A 583 -1.788 12.912 5.795 1.00 0.00 H new ATOM 0 HG3 LYS A 583 -2.999 11.747 5.298 1.00 0.00 H new ATOM 0 HD2 LYS A 583 -2.163 10.065 6.682 1.00 0.00 H new ATOM 0 HD3 LYS A 583 -0.532 10.705 6.664 1.00 0.00 H new ATOM 0 HE2 LYS A 583 -1.158 11.326 8.798 1.00 0.00 H new ATOM 0 HE3 LYS A 583 -1.648 12.763 7.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 583 -3.364 11.931 9.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 583 -3.902 11.956 7.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 583 -3.457 10.486 8.559 1.00 0.00 H new ATOM 787 N PHE A 584 -2.243 11.386 1.342 1.00 0.00 N ATOM 788 CA PHE A 584 -2.068 11.688 -0.074 1.00 0.00 C ATOM 789 C PHE A 584 -2.176 13.189 -0.328 1.00 0.00 C ATOM 790 O PHE A 584 -2.672 13.936 0.514 1.00 0.00 O ATOM 791 CB PHE A 584 -3.111 10.942 -0.909 1.00 0.00 C ATOM 792 CG PHE A 584 -3.008 9.447 -0.801 1.00 0.00 C ATOM 793 CD1 PHE A 584 -3.709 8.761 0.178 1.00 0.00 C ATOM 794 CD2 PHE A 584 -2.211 8.729 -1.677 1.00 0.00 C ATOM 795 CE1 PHE A 584 -3.616 7.386 0.280 1.00 0.00 C ATOM 796 CE2 PHE A 584 -2.114 7.354 -1.580 1.00 0.00 C ATOM 797 CZ PHE A 584 -2.818 6.681 -0.600 1.00 0.00 C ATOM 0 H PHE A 584 -3.064 11.817 1.767 1.00 0.00 H new ATOM 0 HA PHE A 584 -1.072 11.358 -0.370 1.00 0.00 H new ATOM 0 HB2 PHE A 584 -4.107 11.253 -0.594 1.00 0.00 H new ATOM 0 HB3 PHE A 584 -3.002 11.231 -1.954 1.00 0.00 H new ATOM 0 HD1 PHE A 584 -4.335 9.307 0.869 1.00 0.00 H new ATOM 0 HD2 PHE A 584 -1.659 9.250 -2.445 1.00 0.00 H new ATOM 0 HE1 PHE A 584 -4.167 6.863 1.047 1.00 0.00 H new ATOM 0 HE2 PHE A 584 -1.489 6.806 -2.269 1.00 0.00 H new ATOM 0 HZ PHE A 584 -2.745 5.606 -0.522 1.00 0.00 H new ATOM 807 N GLU A 585 -1.707 13.621 -1.494 1.00 0.00 N ATOM 808 CA GLU A 585 -1.750 15.032 -1.858 1.00 0.00 C ATOM 809 C GLU A 585 -3.190 15.512 -2.011 1.00 0.00 C ATOM 810 O GLU A 585 -3.571 16.550 -1.471 1.00 0.00 O ATOM 811 CB GLU A 585 -0.981 15.270 -3.160 1.00 0.00 C ATOM 812 CG GLU A 585 0.512 15.013 -3.041 1.00 0.00 C ATOM 813 CD GLU A 585 1.277 16.232 -2.564 1.00 0.00 C ATOM 814 OE1 GLU A 585 0.774 16.931 -1.660 1.00 0.00 O ATOM 815 OE2 GLU A 585 2.379 16.486 -3.095 1.00 0.00 O ATOM 0 H GLU A 585 -1.293 13.015 -2.202 1.00 0.00 H new ATOM 0 HA GLU A 585 -1.279 15.601 -1.056 1.00 0.00 H new ATOM 0 HB2 GLU A 585 -1.391 14.625 -3.937 1.00 0.00 H new ATOM 0 HB3 GLU A 585 -1.139 16.299 -3.483 1.00 0.00 H new ATOM 0 HG2 GLU A 585 0.681 14.189 -2.348 1.00 0.00 H new ATOM 0 HG3 GLU A 585 0.902 14.700 -4.010 1.00 0.00 H new ATOM 822 N SER A 586 -3.987 14.747 -2.751 1.00 0.00 N ATOM 823 CA SER A 586 -5.384 15.095 -2.979 1.00 0.00 C ATOM 824 C SER A 586 -6.310 14.157 -2.211 1.00 0.00 C ATOM 825 O SER A 586 -5.954 13.026 -1.880 1.00 0.00 O ATOM 826 CB SER A 586 -5.709 15.040 -4.473 1.00 0.00 C ATOM 827 OG SER A 586 -5.408 16.271 -5.106 1.00 0.00 O ATOM 0 H SER A 586 -3.689 13.882 -3.203 1.00 0.00 H new ATOM 0 HA SER A 586 -5.543 16.111 -2.617 1.00 0.00 H new ATOM 0 HB2 SER A 586 -5.140 14.237 -4.943 1.00 0.00 H new ATOM 0 HB3 SER A 586 -6.765 14.805 -4.610 1.00 0.00 H new ATOM 0 HG SER A 586 -5.623 16.209 -6.060 1.00 0.00 H new ATOM 833 N PRO A 587 -7.529 14.636 -1.920 1.00 0.00 N ATOM 834 CA PRO A 587 -8.532 13.858 -1.188 1.00 0.00 C ATOM 835 C PRO A 587 -9.078 12.696 -2.012 1.00 0.00 C ATOM 836 O PRO A 587 -9.422 11.647 -1.469 1.00 0.00 O ATOM 837 CB PRO A 587 -9.637 14.879 -0.905 1.00 0.00 C ATOM 838 CG PRO A 587 -9.491 15.901 -1.979 1.00 0.00 C ATOM 839 CD PRO A 587 -8.021 15.976 -2.284 1.00 0.00 C ATOM 0 HA PRO A 587 -8.117 13.400 -0.290 1.00 0.00 H new ATOM 0 HB2 PRO A 587 -10.622 14.414 -0.932 1.00 0.00 H new ATOM 0 HB3 PRO A 587 -9.522 15.324 0.083 1.00 0.00 H new ATOM 0 HG2 PRO A 587 -10.059 15.619 -2.865 1.00 0.00 H new ATOM 0 HG3 PRO A 587 -9.871 16.868 -1.651 1.00 0.00 H new ATOM 0 HD2 PRO A 587 -7.839 16.199 -3.335 1.00 0.00 H new ATOM 0 HD3 PRO A 587 -7.529 16.756 -1.703 1.00 0.00 H new ATOM 847 N GLU A 588 -9.155 12.892 -3.325 1.00 0.00 N ATOM 848 CA GLU A 588 -9.661 11.860 -4.222 1.00 0.00 C ATOM 849 C GLU A 588 -8.740 10.643 -4.225 1.00 0.00 C ATOM 850 O GLU A 588 -9.195 9.507 -4.354 1.00 0.00 O ATOM 851 CB GLU A 588 -9.799 12.411 -5.643 1.00 0.00 C ATOM 852 CG GLU A 588 -10.428 11.430 -6.618 1.00 0.00 C ATOM 853 CD GLU A 588 -11.880 11.136 -6.293 1.00 0.00 C ATOM 854 OE1 GLU A 588 -12.639 12.095 -6.042 1.00 0.00 O ATOM 855 OE2 GLU A 588 -12.257 9.945 -6.290 1.00 0.00 O ATOM 0 H GLU A 588 -8.874 13.755 -3.790 1.00 0.00 H new ATOM 0 HA GLU A 588 -10.643 11.551 -3.862 1.00 0.00 H new ATOM 0 HB2 GLU A 588 -10.402 13.319 -5.615 1.00 0.00 H new ATOM 0 HB3 GLU A 588 -8.813 12.694 -6.011 1.00 0.00 H new ATOM 0 HG2 GLU A 588 -10.360 11.833 -7.628 1.00 0.00 H new ATOM 0 HG3 GLU A 588 -9.861 10.499 -6.608 1.00 0.00 H new ATOM 862 N VAL A 589 -7.442 10.890 -4.081 1.00 0.00 N ATOM 863 CA VAL A 589 -6.456 9.816 -4.066 1.00 0.00 C ATOM 864 C VAL A 589 -6.498 9.050 -2.749 1.00 0.00 C ATOM 865 O VAL A 589 -6.160 7.868 -2.695 1.00 0.00 O ATOM 866 CB VAL A 589 -5.031 10.358 -4.287 1.00 0.00 C ATOM 867 CG1 VAL A 589 -4.043 9.213 -4.448 1.00 0.00 C ATOM 868 CG2 VAL A 589 -4.994 11.280 -5.497 1.00 0.00 C ATOM 0 H VAL A 589 -7.049 11.825 -3.973 1.00 0.00 H new ATOM 0 HA VAL A 589 -6.711 9.142 -4.884 1.00 0.00 H new ATOM 0 HB VAL A 589 -4.740 10.936 -3.410 1.00 0.00 H new ATOM 0 HG11 VAL A 589 -3.042 9.615 -4.603 1.00 0.00 H new ATOM 0 HG12 VAL A 589 -4.051 8.596 -3.549 1.00 0.00 H new ATOM 0 HG13 VAL A 589 -4.327 8.605 -5.307 1.00 0.00 H new ATOM 0 HG21 VAL A 589 -3.980 11.654 -5.639 1.00 0.00 H new ATOM 0 HG22 VAL A 589 -5.305 10.728 -6.384 1.00 0.00 H new ATOM 0 HG23 VAL A 589 -5.671 12.119 -5.336 1.00 0.00 H new ATOM 878 N ALA A 590 -6.916 9.732 -1.687 1.00 0.00 N ATOM 879 CA ALA A 590 -7.005 9.115 -0.370 1.00 0.00 C ATOM 880 C ALA A 590 -8.097 8.051 -0.334 1.00 0.00 C ATOM 881 O ALA A 590 -7.837 6.893 -0.009 1.00 0.00 O ATOM 882 CB ALA A 590 -7.262 10.174 0.692 1.00 0.00 C ATOM 0 H ALA A 590 -7.198 10.712 -1.714 1.00 0.00 H new ATOM 0 HA ALA A 590 -6.053 8.628 -0.159 1.00 0.00 H new ATOM 0 HB1 ALA A 590 -7.326 9.699 1.671 1.00 0.00 H new ATOM 0 HB2 ALA A 590 -6.445 10.896 0.691 1.00 0.00 H new ATOM 0 HB3 ALA A 590 -8.199 10.687 0.475 1.00 0.00 H new ATOM 888 N GLU A 591 -9.319 8.453 -0.669 1.00 0.00 N ATOM 889 CA GLU A 591 -10.450 7.533 -0.674 1.00 0.00 C ATOM 890 C GLU A 591 -10.319 6.514 -1.802 1.00 0.00 C ATOM 891 O GLU A 591 -10.847 5.405 -1.716 1.00 0.00 O ATOM 892 CB GLU A 591 -11.763 8.305 -0.819 1.00 0.00 C ATOM 893 CG GLU A 591 -12.192 8.511 -2.263 1.00 0.00 C ATOM 894 CD GLU A 591 -13.067 9.736 -2.442 1.00 0.00 C ATOM 895 OE1 GLU A 591 -12.681 10.817 -1.950 1.00 0.00 O ATOM 896 OE2 GLU A 591 -14.136 9.614 -3.075 1.00 0.00 O ATOM 0 H GLU A 591 -9.551 9.409 -0.940 1.00 0.00 H new ATOM 0 HA GLU A 591 -10.454 6.998 0.276 1.00 0.00 H new ATOM 0 HB2 GLU A 591 -12.550 7.770 -0.288 1.00 0.00 H new ATOM 0 HB3 GLU A 591 -11.658 9.277 -0.338 1.00 0.00 H new ATOM 0 HG2 GLU A 591 -11.306 8.607 -2.891 1.00 0.00 H new ATOM 0 HG3 GLU A 591 -12.733 7.629 -2.607 1.00 0.00 H new ATOM 903 N ARG A 592 -9.612 6.899 -2.860 1.00 0.00 N ATOM 904 CA ARG A 592 -9.412 6.021 -4.006 1.00 0.00 C ATOM 905 C ARG A 592 -8.637 4.769 -3.604 1.00 0.00 C ATOM 906 O ARG A 592 -8.998 3.655 -3.981 1.00 0.00 O ATOM 907 CB ARG A 592 -8.666 6.760 -5.118 1.00 0.00 C ATOM 908 CG ARG A 592 -8.345 5.888 -6.321 1.00 0.00 C ATOM 909 CD ARG A 592 -7.205 6.469 -7.142 1.00 0.00 C ATOM 910 NE ARG A 592 -7.583 7.718 -7.796 1.00 0.00 N ATOM 911 CZ ARG A 592 -8.210 7.775 -8.966 1.00 0.00 C ATOM 912 NH1 ARG A 592 -8.529 6.658 -9.605 1.00 0.00 N ATOM 913 NH2 ARG A 592 -8.521 8.950 -9.497 1.00 0.00 N ATOM 0 H ARG A 592 -9.168 7.813 -2.947 1.00 0.00 H new ATOM 0 HA ARG A 592 -10.392 5.718 -4.374 1.00 0.00 H new ATOM 0 HB2 ARG A 592 -9.267 7.608 -5.445 1.00 0.00 H new ATOM 0 HB3 ARG A 592 -7.737 7.164 -4.715 1.00 0.00 H new ATOM 0 HG2 ARG A 592 -8.079 4.886 -5.985 1.00 0.00 H new ATOM 0 HG3 ARG A 592 -9.232 5.789 -6.947 1.00 0.00 H new ATOM 0 HD2 ARG A 592 -6.345 6.644 -6.495 1.00 0.00 H new ATOM 0 HD3 ARG A 592 -6.895 5.745 -7.895 1.00 0.00 H new ATOM 0 HE ARG A 592 -7.353 8.595 -7.329 1.00 0.00 H new ATOM 0 HH11 ARG A 592 -8.293 5.753 -9.198 1.00 0.00 H new ATOM 0 HH12 ARG A 592 -9.010 6.704 -10.503 1.00 0.00 H new ATOM 0 HH21 ARG A 592 -8.279 9.811 -9.007 1.00 0.00 H new ATOM 0 HH22 ARG A 592 -9.002 8.992 -10.395 1.00 0.00 H new ATOM 927 N ALA A 593 -7.570 4.962 -2.836 1.00 0.00 N ATOM 928 CA ALA A 593 -6.745 3.850 -2.381 1.00 0.00 C ATOM 929 C ALA A 593 -7.560 2.865 -1.550 1.00 0.00 C ATOM 930 O ALA A 593 -7.272 1.668 -1.530 1.00 0.00 O ATOM 931 CB ALA A 593 -5.559 4.365 -1.579 1.00 0.00 C ATOM 0 H ALA A 593 -7.257 5.878 -2.516 1.00 0.00 H new ATOM 0 HA ALA A 593 -6.374 3.323 -3.260 1.00 0.00 H new ATOM 0 HB1 ALA A 593 -4.952 3.523 -1.246 1.00 0.00 H new ATOM 0 HB2 ALA A 593 -4.955 5.023 -2.204 1.00 0.00 H new ATOM 0 HB3 ALA A 593 -5.919 4.918 -0.712 1.00 0.00 H new ATOM 937 N CYS A 594 -8.578 3.376 -0.867 1.00 0.00 N ATOM 938 CA CYS A 594 -9.435 2.541 -0.032 1.00 0.00 C ATOM 939 C CYS A 594 -10.249 1.574 -0.885 1.00 0.00 C ATOM 940 O CYS A 594 -10.735 0.555 -0.394 1.00 0.00 O ATOM 941 CB CYS A 594 -10.371 3.413 0.806 1.00 0.00 C ATOM 942 SG CYS A 594 -9.520 4.488 1.985 1.00 0.00 S ATOM 0 H CYS A 594 -8.830 4.364 -0.875 1.00 0.00 H new ATOM 0 HA CYS A 594 -8.797 1.960 0.635 1.00 0.00 H new ATOM 0 HB2 CYS A 594 -10.972 4.029 0.137 1.00 0.00 H new ATOM 0 HB3 CYS A 594 -11.060 2.768 1.351 1.00 0.00 H new ATOM 0 HG CYS A 594 -8.937 5.458 1.345 1.00 0.00 H new ATOM 948 N ARG A 595 -10.395 1.902 -2.165 1.00 0.00 N ATOM 949 CA ARG A 595 -11.154 1.064 -3.086 1.00 0.00 C ATOM 950 C ARG A 595 -10.244 0.048 -3.772 1.00 0.00 C ATOM 951 O ARG A 595 -10.640 -1.091 -4.013 1.00 0.00 O ATOM 952 CB ARG A 595 -11.854 1.928 -4.137 1.00 0.00 C ATOM 953 CG ARG A 595 -12.973 2.786 -3.571 1.00 0.00 C ATOM 954 CD ARG A 595 -13.289 3.962 -4.482 1.00 0.00 C ATOM 955 NE ARG A 595 -14.023 3.548 -5.675 1.00 0.00 N ATOM 956 CZ ARG A 595 -15.339 3.370 -5.703 1.00 0.00 C ATOM 957 NH1 ARG A 595 -16.062 3.570 -4.609 1.00 0.00 N ATOM 958 NH2 ARG A 595 -15.935 2.992 -6.827 1.00 0.00 N ATOM 0 H ARG A 595 -9.998 2.741 -2.587 1.00 0.00 H new ATOM 0 HA ARG A 595 -11.906 0.524 -2.510 1.00 0.00 H new ATOM 0 HB2 ARG A 595 -11.117 2.575 -4.613 1.00 0.00 H new ATOM 0 HB3 ARG A 595 -12.261 1.281 -4.915 1.00 0.00 H new ATOM 0 HG2 ARG A 595 -13.867 2.177 -3.437 1.00 0.00 H new ATOM 0 HG3 ARG A 595 -12.688 3.154 -2.586 1.00 0.00 H new ATOM 0 HD2 ARG A 595 -13.876 4.699 -3.933 1.00 0.00 H new ATOM 0 HD3 ARG A 595 -12.361 4.450 -4.779 1.00 0.00 H new ATOM 0 HE ARG A 595 -13.496 3.387 -6.533 1.00 0.00 H new ATOM 0 HH11 ARG A 595 -15.608 3.861 -3.744 1.00 0.00 H new ATOM 0 HH12 ARG A 595 -17.072 3.433 -4.633 1.00 0.00 H new ATOM 0 HH21 ARG A 595 -15.382 2.838 -7.670 1.00 0.00 H new ATOM 0 HH22 ARG A 595 -16.946 2.856 -6.847 1.00 0.00 H new ATOM 972 N MET A 596 -9.023 0.471 -4.083 1.00 0.00 N ATOM 973 CA MET A 596 -8.057 -0.402 -4.740 1.00 0.00 C ATOM 974 C MET A 596 -7.346 -1.289 -3.723 1.00 0.00 C ATOM 975 O MET A 596 -7.345 -2.513 -3.847 1.00 0.00 O ATOM 976 CB MET A 596 -7.032 0.428 -5.515 1.00 0.00 C ATOM 977 CG MET A 596 -7.656 1.367 -6.534 1.00 0.00 C ATOM 978 SD MET A 596 -6.583 1.665 -7.952 1.00 0.00 S ATOM 979 CE MET A 596 -5.914 3.275 -7.539 1.00 0.00 C ATOM 0 H MET A 596 -8.679 1.412 -3.891 1.00 0.00 H new ATOM 0 HA MET A 596 -8.598 -1.041 -5.438 1.00 0.00 H new ATOM 0 HB2 MET A 596 -6.441 1.012 -4.809 1.00 0.00 H new ATOM 0 HB3 MET A 596 -6.344 -0.245 -6.027 1.00 0.00 H new ATOM 0 HG2 MET A 596 -8.600 0.946 -6.880 1.00 0.00 H new ATOM 0 HG3 MET A 596 -7.888 2.317 -6.053 1.00 0.00 H new ATOM 0 HE1 MET A 596 -6.253 4.008 -8.271 1.00 0.00 H new ATOM 0 HE2 MET A 596 -6.257 3.568 -6.547 1.00 0.00 H new ATOM 0 HE3 MET A 596 -4.825 3.230 -7.548 1.00 0.00 H new ATOM 989 N MET A 597 -6.742 -0.663 -2.718 1.00 0.00 N ATOM 990 CA MET A 597 -6.028 -1.397 -1.680 1.00 0.00 C ATOM 991 C MET A 597 -6.963 -2.360 -0.955 1.00 0.00 C ATOM 992 O MET A 597 -6.806 -3.577 -1.044 1.00 0.00 O ATOM 993 CB MET A 597 -5.401 -0.425 -0.678 1.00 0.00 C ATOM 994 CG MET A 597 -4.482 0.601 -1.320 1.00 0.00 C ATOM 995 SD MET A 597 -3.531 -0.081 -2.692 1.00 0.00 S ATOM 996 CE MET A 597 -2.141 -0.796 -1.817 1.00 0.00 C ATOM 0 H MET A 597 -6.733 0.350 -2.601 1.00 0.00 H new ATOM 0 HA MET A 597 -5.237 -1.976 -2.157 1.00 0.00 H new ATOM 0 HB2 MET A 597 -6.196 0.095 -0.143 1.00 0.00 H new ATOM 0 HB3 MET A 597 -4.837 -0.993 0.062 1.00 0.00 H new ATOM 0 HG2 MET A 597 -5.076 1.442 -1.677 1.00 0.00 H new ATOM 0 HG3 MET A 597 -3.797 0.991 -0.567 1.00 0.00 H new ATOM 0 HE1 MET A 597 -1.225 -0.283 -2.108 1.00 0.00 H new ATOM 0 HE2 MET A 597 -2.292 -0.687 -0.743 1.00 0.00 H new ATOM 0 HE3 MET A 597 -2.059 -1.854 -2.066 1.00 0.00 H new ATOM 1006 N ASN A 598 -7.935 -1.807 -0.236 1.00 0.00 N ATOM 1007 CA ASN A 598 -8.894 -2.618 0.505 1.00 0.00 C ATOM 1008 C ASN A 598 -9.261 -3.876 -0.276 1.00 0.00 C ATOM 1009 O ASN A 598 -9.814 -3.800 -1.373 1.00 0.00 O ATOM 1010 CB ASN A 598 -10.155 -1.805 0.806 1.00 0.00 C ATOM 1011 CG ASN A 598 -11.070 -2.503 1.794 1.00 0.00 C ATOM 1012 OD1 ASN A 598 -11.349 -3.695 1.664 1.00 0.00 O ATOM 1013 ND2 ASN A 598 -11.542 -1.760 2.789 1.00 0.00 N ATOM 0 H ASN A 598 -8.079 -0.801 -0.151 1.00 0.00 H new ATOM 0 HA ASN A 598 -8.430 -2.918 1.444 1.00 0.00 H new ATOM 0 HB2 ASN A 598 -9.870 -0.831 1.204 1.00 0.00 H new ATOM 0 HB3 ASN A 598 -10.697 -1.624 -0.122 1.00 0.00 H new ATOM 0 HD21 ASN A 598 -12.162 -2.174 3.485 1.00 0.00 H new ATOM 0 HD22 ASN A 598 -11.284 -0.776 2.857 1.00 0.00 H new ATOM 1020 N GLY A 599 -8.949 -5.034 0.298 1.00 0.00 N ATOM 1021 CA GLY A 599 -9.254 -6.293 -0.358 1.00 0.00 C ATOM 1022 C GLY A 599 -8.017 -6.971 -0.914 1.00 0.00 C ATOM 1023 O GLY A 599 -8.117 -7.957 -1.644 1.00 0.00 O ATOM 0 H GLY A 599 -8.491 -5.123 1.205 1.00 0.00 H new ATOM 0 HA2 GLY A 599 -9.742 -6.960 0.352 1.00 0.00 H new ATOM 0 HA3 GLY A 599 -9.962 -6.115 -1.167 1.00 0.00 H new ATOM 1027 N MET A 600 -6.848 -6.441 -0.570 1.00 0.00 N ATOM 1028 CA MET A 600 -5.587 -7.002 -1.040 1.00 0.00 C ATOM 1029 C MET A 600 -4.947 -7.876 0.034 1.00 0.00 C ATOM 1030 O MET A 600 -4.454 -7.375 1.045 1.00 0.00 O ATOM 1031 CB MET A 600 -4.625 -5.882 -1.443 1.00 0.00 C ATOM 1032 CG MET A 600 -4.098 -5.080 -0.264 1.00 0.00 C ATOM 1033 SD MET A 600 -3.443 -3.473 -0.754 1.00 0.00 S ATOM 1034 CE MET A 600 -2.405 -3.087 0.653 1.00 0.00 C ATOM 0 H MET A 600 -6.748 -5.624 0.032 1.00 0.00 H new ATOM 0 HA MET A 600 -5.796 -7.623 -1.911 1.00 0.00 H new ATOM 0 HB2 MET A 600 -3.783 -6.314 -1.983 1.00 0.00 H new ATOM 0 HB3 MET A 600 -5.134 -5.208 -2.132 1.00 0.00 H new ATOM 0 HG2 MET A 600 -4.900 -4.936 0.460 1.00 0.00 H new ATOM 0 HG3 MET A 600 -3.315 -5.650 0.237 1.00 0.00 H new ATOM 0 HE1 MET A 600 -1.480 -2.625 0.307 1.00 0.00 H new ATOM 0 HE2 MET A 600 -2.930 -2.398 1.314 1.00 0.00 H new ATOM 0 HE3 MET A 600 -2.172 -4.003 1.195 1.00 0.00 H new ATOM 1044 N LYS A 601 -4.958 -9.186 -0.192 1.00 0.00 N ATOM 1045 CA LYS A 601 -4.378 -10.130 0.755 1.00 0.00 C ATOM 1046 C LYS A 601 -2.855 -10.111 0.679 1.00 0.00 C ATOM 1047 O LYS A 601 -2.261 -10.690 -0.232 1.00 0.00 O ATOM 1048 CB LYS A 601 -4.895 -11.544 0.478 1.00 0.00 C ATOM 1049 CG LYS A 601 -6.375 -11.719 0.774 1.00 0.00 C ATOM 1050 CD LYS A 601 -6.734 -13.182 0.976 1.00 0.00 C ATOM 1051 CE LYS A 601 -7.954 -13.338 1.871 1.00 0.00 C ATOM 1052 NZ LYS A 601 -8.465 -14.737 1.873 1.00 0.00 N ATOM 0 H LYS A 601 -5.362 -9.617 -1.023 1.00 0.00 H new ATOM 0 HA LYS A 601 -4.678 -9.830 1.759 1.00 0.00 H new ATOM 0 HB2 LYS A 601 -4.710 -11.791 -0.567 1.00 0.00 H new ATOM 0 HB3 LYS A 601 -4.326 -12.254 1.079 1.00 0.00 H new ATOM 0 HG2 LYS A 601 -6.638 -11.152 1.667 1.00 0.00 H new ATOM 0 HG3 LYS A 601 -6.962 -11.309 -0.048 1.00 0.00 H new ATOM 0 HD2 LYS A 601 -6.929 -13.647 0.009 1.00 0.00 H new ATOM 0 HD3 LYS A 601 -5.888 -13.708 1.418 1.00 0.00 H new ATOM 0 HE2 LYS A 601 -7.698 -13.043 2.889 1.00 0.00 H new ATOM 0 HE3 LYS A 601 -8.741 -12.664 1.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 601 -9.296 -14.802 2.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 601 -8.733 -15.010 0.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 601 -7.723 -15.377 2.220 1.00 0.00 H new ATOM 1066 N LEU A 602 -2.227 -9.444 1.641 1.00 0.00 N ATOM 1067 CA LEU A 602 -0.772 -9.351 1.684 1.00 0.00 C ATOM 1068 C LEU A 602 -0.157 -10.662 2.161 1.00 0.00 C ATOM 1069 O LEU A 602 -0.071 -10.919 3.362 1.00 0.00 O ATOM 1070 CB LEU A 602 -0.342 -8.207 2.605 1.00 0.00 C ATOM 1071 CG LEU A 602 -0.867 -6.818 2.240 1.00 0.00 C ATOM 1072 CD1 LEU A 602 -0.115 -5.744 3.011 1.00 0.00 C ATOM 1073 CD2 LEU A 602 -0.752 -6.581 0.742 1.00 0.00 C ATOM 0 H LEU A 602 -2.703 -8.959 2.402 1.00 0.00 H new ATOM 0 HA LEU A 602 -0.415 -9.150 0.674 1.00 0.00 H new ATOM 0 HB2 LEU A 602 -0.667 -8.442 3.619 1.00 0.00 H new ATOM 0 HB3 LEU A 602 0.747 -8.169 2.620 1.00 0.00 H new ATOM 0 HG LEU A 602 -1.920 -6.764 2.516 1.00 0.00 H new ATOM 0 HD11 LEU A 602 -0.502 -4.762 2.738 1.00 0.00 H new ATOM 0 HD12 LEU A 602 -0.249 -5.903 4.081 1.00 0.00 H new ATOM 0 HD13 LEU A 602 0.946 -5.796 2.767 1.00 0.00 H new ATOM 0 HD21 LEU A 602 -1.130 -5.588 0.501 1.00 0.00 H new ATOM 0 HD22 LEU A 602 0.293 -6.654 0.441 1.00 0.00 H new ATOM 0 HD23 LEU A 602 -1.336 -7.331 0.209 1.00 0.00 H new ATOM 1085 N SER A 603 0.272 -11.488 1.212 1.00 0.00 N ATOM 1086 CA SER A 603 0.879 -12.774 1.535 1.00 0.00 C ATOM 1087 C SER A 603 -0.136 -13.704 2.192 1.00 0.00 C ATOM 1088 O SER A 603 0.228 -14.607 2.944 1.00 0.00 O ATOM 1089 CB SER A 603 2.081 -12.577 2.461 1.00 0.00 C ATOM 1090 OG SER A 603 3.041 -13.602 2.276 1.00 0.00 O ATOM 0 H SER A 603 0.210 -11.290 0.213 1.00 0.00 H new ATOM 0 HA SER A 603 1.217 -13.232 0.605 1.00 0.00 H new ATOM 0 HB2 SER A 603 2.538 -11.607 2.267 1.00 0.00 H new ATOM 0 HB3 SER A 603 1.747 -12.570 3.499 1.00 0.00 H new ATOM 0 HG SER A 603 3.800 -13.452 2.878 1.00 0.00 H new ATOM 1096 N GLY A 604 -1.413 -13.476 1.900 1.00 0.00 N ATOM 1097 CA GLY A 604 -2.463 -14.301 2.470 1.00 0.00 C ATOM 1098 C GLY A 604 -3.132 -13.646 3.662 1.00 0.00 C ATOM 1099 O GLY A 604 -3.825 -14.308 4.435 1.00 0.00 O ATOM 0 H GLY A 604 -1.739 -12.735 1.279 1.00 0.00 H new ATOM 0 HA2 GLY A 604 -3.212 -14.510 1.706 1.00 0.00 H new ATOM 0 HA3 GLY A 604 -2.043 -15.260 2.774 1.00 0.00 H new ATOM 1103 N ARG A 605 -2.923 -12.342 3.813 1.00 0.00 N ATOM 1104 CA ARG A 605 -3.509 -11.598 4.922 1.00 0.00 C ATOM 1105 C ARG A 605 -4.427 -10.492 4.409 1.00 0.00 C ATOM 1106 O ARG A 605 -3.968 -9.523 3.805 1.00 0.00 O ATOM 1107 CB ARG A 605 -2.409 -10.998 5.799 1.00 0.00 C ATOM 1108 CG ARG A 605 -1.559 -12.040 6.508 1.00 0.00 C ATOM 1109 CD ARG A 605 -1.002 -11.506 7.818 1.00 0.00 C ATOM 1110 NE ARG A 605 -0.407 -12.563 8.631 1.00 0.00 N ATOM 1111 CZ ARG A 605 0.736 -13.169 8.328 1.00 0.00 C ATOM 1112 NH1 ARG A 605 1.403 -12.823 7.236 1.00 0.00 N ATOM 1113 NH2 ARG A 605 1.213 -14.122 9.118 1.00 0.00 N ATOM 0 H ARG A 605 -2.353 -11.779 3.182 1.00 0.00 H new ATOM 0 HA ARG A 605 -4.102 -12.291 5.519 1.00 0.00 H new ATOM 0 HB2 ARG A 605 -1.763 -10.374 5.181 1.00 0.00 H new ATOM 0 HB3 ARG A 605 -2.865 -10.346 6.544 1.00 0.00 H new ATOM 0 HG2 ARG A 605 -2.158 -12.930 6.702 1.00 0.00 H new ATOM 0 HG3 ARG A 605 -0.738 -12.344 5.859 1.00 0.00 H new ATOM 0 HD2 ARG A 605 -0.252 -10.744 7.609 1.00 0.00 H new ATOM 0 HD3 ARG A 605 -1.800 -11.022 8.381 1.00 0.00 H new ATOM 0 HE ARG A 605 -0.896 -12.852 9.478 1.00 0.00 H new ATOM 0 HH11 ARG A 605 1.039 -12.090 6.627 1.00 0.00 H new ATOM 0 HH12 ARG A 605 2.280 -13.289 7.005 1.00 0.00 H new ATOM 0 HH21 ARG A 605 0.702 -14.390 9.959 1.00 0.00 H new ATOM 0 HH22 ARG A 605 2.091 -14.586 8.884 1.00 0.00 H new ATOM 1127 N GLU A 606 -5.724 -10.644 4.655 1.00 0.00 N ATOM 1128 CA GLU A 606 -6.705 -9.659 4.217 1.00 0.00 C ATOM 1129 C GLU A 606 -6.645 -8.407 5.088 1.00 0.00 C ATOM 1130 O GLU A 606 -6.504 -8.493 6.308 1.00 0.00 O ATOM 1131 CB GLU A 606 -8.114 -10.255 4.258 1.00 0.00 C ATOM 1132 CG GLU A 606 -9.033 -9.719 3.173 1.00 0.00 C ATOM 1133 CD GLU A 606 -10.489 -9.704 3.598 1.00 0.00 C ATOM 1134 OE1 GLU A 606 -10.919 -10.657 4.280 1.00 0.00 O ATOM 1135 OE2 GLU A 606 -11.198 -8.737 3.247 1.00 0.00 O ATOM 0 H GLU A 606 -6.120 -11.440 5.155 1.00 0.00 H new ATOM 0 HA GLU A 606 -6.467 -9.379 3.191 1.00 0.00 H new ATOM 0 HB2 GLU A 606 -8.044 -11.338 4.161 1.00 0.00 H new ATOM 0 HB3 GLU A 606 -8.558 -10.050 5.232 1.00 0.00 H new ATOM 0 HG2 GLU A 606 -8.725 -8.708 2.908 1.00 0.00 H new ATOM 0 HG3 GLU A 606 -8.926 -10.330 2.277 1.00 0.00 H new ATOM 1142 N ILE A 607 -6.752 -7.245 4.452 1.00 0.00 N ATOM 1143 CA ILE A 607 -6.711 -5.976 5.168 1.00 0.00 C ATOM 1144 C ILE A 607 -7.921 -5.113 4.827 1.00 0.00 C ATOM 1145 O ILE A 607 -8.511 -5.248 3.755 1.00 0.00 O ATOM 1146 CB ILE A 607 -5.426 -5.190 4.846 1.00 0.00 C ATOM 1147 CG1 ILE A 607 -5.148 -5.219 3.342 1.00 0.00 C ATOM 1148 CG2 ILE A 607 -4.247 -5.762 5.619 1.00 0.00 C ATOM 1149 CD1 ILE A 607 -3.877 -4.499 2.948 1.00 0.00 C ATOM 0 H ILE A 607 -6.868 -7.156 3.442 1.00 0.00 H new ATOM 0 HA ILE A 607 -6.725 -6.213 6.232 1.00 0.00 H new ATOM 0 HB ILE A 607 -5.566 -4.153 5.151 1.00 0.00 H new ATOM 0 HG12 ILE A 607 -5.086 -6.256 3.012 1.00 0.00 H new ATOM 0 HG13 ILE A 607 -5.989 -4.768 2.816 1.00 0.00 H new ATOM 0 HG21 ILE A 607 -3.347 -5.196 5.381 1.00 0.00 H new ATOM 0 HG22 ILE A 607 -4.446 -5.694 6.689 1.00 0.00 H new ATOM 0 HG23 ILE A 607 -4.103 -6.806 5.342 1.00 0.00 H new ATOM 0 HD11 ILE A 607 -3.744 -4.560 1.868 1.00 0.00 H new ATOM 0 HD12 ILE A 607 -3.944 -3.453 3.247 1.00 0.00 H new ATOM 0 HD13 ILE A 607 -3.026 -4.964 3.445 1.00 0.00 H new ATOM 1161 N ASP A 608 -8.284 -4.225 5.746 1.00 0.00 N ATOM 1162 CA ASP A 608 -9.422 -3.336 5.542 1.00 0.00 C ATOM 1163 C ASP A 608 -8.977 -1.877 5.528 1.00 0.00 C ATOM 1164 O ASP A 608 -8.569 -1.331 6.553 1.00 0.00 O ATOM 1165 CB ASP A 608 -10.468 -3.552 6.637 1.00 0.00 C ATOM 1166 CG ASP A 608 -11.477 -4.622 6.271 1.00 0.00 C ATOM 1167 OD1 ASP A 608 -11.867 -4.690 5.086 1.00 0.00 O ATOM 1168 OD2 ASP A 608 -11.876 -5.393 7.168 1.00 0.00 O ATOM 0 H ASP A 608 -7.807 -4.102 6.639 1.00 0.00 H new ATOM 0 HA ASP A 608 -9.866 -3.571 4.575 1.00 0.00 H new ATOM 0 HB2 ASP A 608 -9.967 -3.831 7.564 1.00 0.00 H new ATOM 0 HB3 ASP A 608 -10.990 -2.614 6.827 1.00 0.00 H new ATOM 1173 N VAL A 609 -9.057 -1.250 4.358 1.00 0.00 N ATOM 1174 CA VAL A 609 -8.662 0.145 4.210 1.00 0.00 C ATOM 1175 C VAL A 609 -9.883 1.055 4.119 1.00 0.00 C ATOM 1176 O VAL A 609 -10.763 0.847 3.285 1.00 0.00 O ATOM 1177 CB VAL A 609 -7.788 0.352 2.959 1.00 0.00 C ATOM 1178 CG1 VAL A 609 -7.185 1.748 2.953 1.00 0.00 C ATOM 1179 CG2 VAL A 609 -6.699 -0.708 2.890 1.00 0.00 C ATOM 0 H VAL A 609 -9.392 -1.687 3.499 1.00 0.00 H new ATOM 0 HA VAL A 609 -8.083 0.405 5.096 1.00 0.00 H new ATOM 0 HB VAL A 609 -8.419 0.252 2.076 1.00 0.00 H new ATOM 0 HG11 VAL A 609 -6.571 1.875 2.062 1.00 0.00 H new ATOM 0 HG12 VAL A 609 -7.984 2.489 2.952 1.00 0.00 H new ATOM 0 HG13 VAL A 609 -6.567 1.881 3.841 1.00 0.00 H new ATOM 0 HG21 VAL A 609 -6.091 -0.547 2.000 1.00 0.00 H new ATOM 0 HG22 VAL A 609 -6.069 -0.641 3.777 1.00 0.00 H new ATOM 0 HG23 VAL A 609 -7.156 -1.697 2.843 1.00 0.00 H new ATOM 1189 N ARG A 610 -9.928 2.063 4.984 1.00 0.00 N ATOM 1190 CA ARG A 610 -11.040 3.005 5.002 1.00 0.00 C ATOM 1191 C ARG A 610 -10.550 4.421 5.287 1.00 0.00 C ATOM 1192 O ARG A 610 -9.456 4.614 5.819 1.00 0.00 O ATOM 1193 CB ARG A 610 -12.071 2.589 6.054 1.00 0.00 C ATOM 1194 CG ARG A 610 -12.706 1.235 5.782 1.00 0.00 C ATOM 1195 CD ARG A 610 -11.929 0.111 6.449 1.00 0.00 C ATOM 1196 NE ARG A 610 -11.910 0.247 7.903 1.00 0.00 N ATOM 1197 CZ ARG A 610 -12.949 -0.034 8.681 1.00 0.00 C ATOM 1198 NH1 ARG A 610 -14.084 -0.464 8.147 1.00 0.00 N ATOM 1199 NH2 ARG A 610 -12.855 0.115 9.996 1.00 0.00 N ATOM 0 H ARG A 610 -9.207 2.248 5.681 1.00 0.00 H new ATOM 0 HA ARG A 610 -11.509 2.993 4.018 1.00 0.00 H new ATOM 0 HB2 ARG A 610 -11.590 2.566 7.032 1.00 0.00 H new ATOM 0 HB3 ARG A 610 -12.854 3.345 6.102 1.00 0.00 H new ATOM 0 HG2 ARG A 610 -13.733 1.234 6.146 1.00 0.00 H new ATOM 0 HG3 ARG A 610 -12.748 1.061 4.707 1.00 0.00 H new ATOM 0 HD2 ARG A 610 -12.374 -0.847 6.180 1.00 0.00 H new ATOM 0 HD3 ARG A 610 -10.906 0.104 6.072 1.00 0.00 H new ATOM 0 HE ARG A 610 -11.052 0.576 8.345 1.00 0.00 H new ATOM 0 HH11 ARG A 610 -14.161 -0.580 7.136 1.00 0.00 H new ATOM 0 HH12 ARG A 610 -14.880 -0.679 8.747 1.00 0.00 H new ATOM 0 HH21 ARG A 610 -11.984 0.446 10.411 1.00 0.00 H new ATOM 0 HH22 ARG A 610 -13.654 -0.101 10.592 1.00 0.00 H new ATOM 1213 N ILE A 611 -11.365 5.407 4.930 1.00 0.00 N ATOM 1214 CA ILE A 611 -11.014 6.805 5.149 1.00 0.00 C ATOM 1215 C ILE A 611 -11.125 7.176 6.624 1.00 0.00 C ATOM 1216 O ILE A 611 -12.194 7.065 7.224 1.00 0.00 O ATOM 1217 CB ILE A 611 -11.913 7.747 4.325 1.00 0.00 C ATOM 1218 CG1 ILE A 611 -11.633 7.577 2.831 1.00 0.00 C ATOM 1219 CG2 ILE A 611 -11.696 9.192 4.750 1.00 0.00 C ATOM 1220 CD1 ILE A 611 -10.288 8.121 2.402 1.00 0.00 C ATOM 0 H ILE A 611 -12.273 5.264 4.488 1.00 0.00 H new ATOM 0 HA ILE A 611 -9.981 6.925 4.824 1.00 0.00 H new ATOM 0 HB ILE A 611 -12.955 7.487 4.512 1.00 0.00 H new ATOM 0 HG12 ILE A 611 -11.685 6.518 2.578 1.00 0.00 H new ATOM 0 HG13 ILE A 611 -12.417 8.079 2.263 1.00 0.00 H new ATOM 0 HG21 ILE A 611 -12.338 9.845 4.159 1.00 0.00 H new ATOM 0 HG22 ILE A 611 -11.941 9.301 5.806 1.00 0.00 H new ATOM 0 HG23 ILE A 611 -10.653 9.466 4.589 1.00 0.00 H new ATOM 0 HD11 ILE A 611 -10.158 7.966 1.331 1.00 0.00 H new ATOM 0 HD12 ILE A 611 -10.239 9.187 2.623 1.00 0.00 H new ATOM 0 HD13 ILE A 611 -9.496 7.602 2.943 1.00 0.00 H new ATOM 1232 N ASP A 612 -10.013 7.619 7.201 1.00 0.00 N ATOM 1233 CA ASP A 612 -9.985 8.009 8.606 1.00 0.00 C ATOM 1234 C ASP A 612 -10.296 9.494 8.763 1.00 0.00 C ATOM 1235 O ASP A 612 -9.467 10.349 8.450 1.00 0.00 O ATOM 1236 CB ASP A 612 -8.620 7.694 9.218 1.00 0.00 C ATOM 1237 CG ASP A 612 -8.706 7.387 10.700 1.00 0.00 C ATOM 1238 OD1 ASP A 612 -8.856 8.338 11.495 1.00 0.00 O ATOM 1239 OD2 ASP A 612 -8.624 6.195 11.065 1.00 0.00 O ATOM 0 H ASP A 612 -9.120 7.717 6.718 1.00 0.00 H new ATOM 0 HA ASP A 612 -10.750 7.438 9.132 1.00 0.00 H new ATOM 0 HB2 ASP A 612 -8.180 6.843 8.699 1.00 0.00 H new ATOM 0 HB3 ASP A 612 -7.952 8.541 9.064 1.00 0.00 H new ATOM 1244 N ARG A 613 -11.497 9.794 9.249 1.00 0.00 N ATOM 1245 CA ARG A 613 -11.918 11.176 9.446 1.00 0.00 C ATOM 1246 C ARG A 613 -10.804 11.998 10.087 1.00 0.00 C ATOM 1247 O ARG A 613 -10.525 11.862 11.278 1.00 0.00 O ATOM 1248 CB ARG A 613 -13.173 11.230 10.319 1.00 0.00 C ATOM 1249 CG ARG A 613 -14.457 10.940 9.558 1.00 0.00 C ATOM 1250 CD ARG A 613 -14.476 9.518 9.019 1.00 0.00 C ATOM 1251 NE ARG A 613 -15.836 9.037 8.793 1.00 0.00 N ATOM 1252 CZ ARG A 613 -16.721 8.851 9.767 1.00 0.00 C ATOM 1253 NH1 ARG A 613 -16.390 9.106 11.025 1.00 0.00 N ATOM 1254 NH2 ARG A 613 -17.939 8.410 9.482 1.00 0.00 N ATOM 0 H ARG A 613 -12.195 9.099 9.513 1.00 0.00 H new ATOM 0 HA ARG A 613 -12.145 11.603 8.469 1.00 0.00 H new ATOM 0 HB2 ARG A 613 -13.072 10.510 11.131 1.00 0.00 H new ATOM 0 HB3 ARG A 613 -13.246 12.217 10.775 1.00 0.00 H new ATOM 0 HG2 ARG A 613 -15.313 11.093 10.215 1.00 0.00 H new ATOM 0 HG3 ARG A 613 -14.559 11.645 8.733 1.00 0.00 H new ATOM 0 HD2 ARG A 613 -13.917 9.477 8.084 1.00 0.00 H new ATOM 0 HD3 ARG A 613 -13.970 8.857 9.722 1.00 0.00 H new ATOM 0 HE ARG A 613 -16.122 8.833 7.836 1.00 0.00 H new ATOM 0 HH11 ARG A 613 -15.454 9.446 11.247 1.00 0.00 H new ATOM 0 HH12 ARG A 613 -17.071 8.962 11.771 1.00 0.00 H new ATOM 0 HH21 ARG A 613 -18.197 8.213 8.515 1.00 0.00 H new ATOM 0 HH22 ARG A 613 -18.618 8.267 10.230 1.00 0.00 H new ATOM 1268 N ASN A 614 -10.170 12.851 9.289 1.00 0.00 N ATOM 1269 CA ASN A 614 -9.086 13.694 9.779 1.00 0.00 C ATOM 1270 C ASN A 614 -9.632 14.969 10.415 1.00 0.00 C ATOM 1271 O ASN A 614 -9.746 16.003 9.758 1.00 0.00 O ATOM 1272 CB ASN A 614 -8.132 14.050 8.636 1.00 0.00 C ATOM 1273 CG ASN A 614 -6.814 14.608 9.135 1.00 0.00 C ATOM 1274 OD1 ASN A 614 -6.784 15.590 9.876 1.00 0.00 O ATOM 1275 ND2 ASN A 614 -5.715 13.982 8.730 1.00 0.00 N ATOM 0 H ASN A 614 -10.388 12.977 8.301 1.00 0.00 H new ATOM 0 HA ASN A 614 -8.540 13.135 10.539 1.00 0.00 H new ATOM 0 HB2 ASN A 614 -7.942 13.161 8.035 1.00 0.00 H new ATOM 0 HB3 ASN A 614 -8.609 14.781 7.983 1.00 0.00 H new ATOM 0 HD21 ASN A 614 -4.799 14.312 9.034 1.00 0.00 H new ATOM 0 HD22 ASN A 614 -5.787 13.171 8.115 1.00 0.00 H new ATOM 1282 N ALA A 615 -9.969 14.886 11.698 1.00 0.00 N ATOM 1283 CA ALA A 615 -10.501 16.032 12.424 1.00 0.00 C ATOM 1284 C ALA A 615 -11.734 16.599 11.728 1.00 0.00 C ATOM 1285 O ALA A 615 -11.861 17.812 11.559 1.00 0.00 O ATOM 1286 CB ALA A 615 -9.434 17.107 12.569 1.00 0.00 C ATOM 0 H ALA A 615 -9.883 14.036 12.256 1.00 0.00 H new ATOM 0 HA ALA A 615 -10.799 15.695 13.417 1.00 0.00 H new ATOM 0 HB1 ALA A 615 -9.846 17.957 13.113 1.00 0.00 H new ATOM 0 HB2 ALA A 615 -8.583 16.703 13.117 1.00 0.00 H new ATOM 0 HB3 ALA A 615 -9.108 17.432 11.581 1.00 0.00 H new ATOM 1292 N SER A 616 -12.640 15.713 11.324 1.00 0.00 N ATOM 1293 CA SER A 616 -13.861 16.126 10.642 1.00 0.00 C ATOM 1294 C SER A 616 -15.095 15.654 11.405 1.00 0.00 C ATOM 1295 O SER A 616 -15.188 14.492 11.799 1.00 0.00 O ATOM 1296 CB SER A 616 -13.885 15.571 9.216 1.00 0.00 C ATOM 1297 OG SER A 616 -14.789 16.298 8.402 1.00 0.00 O ATOM 0 H SER A 616 -12.551 14.706 11.457 1.00 0.00 H new ATOM 0 HA SER A 616 -13.876 17.215 10.601 1.00 0.00 H new ATOM 0 HB2 SER A 616 -12.884 15.619 8.787 1.00 0.00 H new ATOM 0 HB3 SER A 616 -14.173 14.520 9.236 1.00 0.00 H new ATOM 0 HG SER A 616 -14.785 15.926 7.496 1.00 0.00 H new ATOM 1303 N GLY A 617 -16.041 16.565 11.608 1.00 0.00 N ATOM 1304 CA GLY A 617 -17.258 16.225 12.323 1.00 0.00 C ATOM 1305 C GLY A 617 -18.483 16.261 11.432 1.00 0.00 C ATOM 1306 O GLY A 617 -19.180 17.272 11.339 1.00 0.00 O ATOM 0 H GLY A 617 -15.987 17.533 11.290 1.00 0.00 H new ATOM 0 HA2 GLY A 617 -17.156 15.229 12.755 1.00 0.00 H new ATOM 0 HA3 GLY A 617 -17.395 16.920 13.152 1.00 0.00 H new ATOM 1310 N PRO A 618 -18.761 15.137 10.754 1.00 0.00 N ATOM 1311 CA PRO A 618 -19.911 15.019 9.853 1.00 0.00 C ATOM 1312 C PRO A 618 -21.238 15.011 10.604 1.00 0.00 C ATOM 1313 O PRO A 618 -22.171 15.728 10.243 1.00 0.00 O ATOM 1314 CB PRO A 618 -19.681 13.675 9.159 1.00 0.00 C ATOM 1315 CG PRO A 618 -18.848 12.892 10.114 1.00 0.00 C ATOM 1316 CD PRO A 618 -17.974 13.894 10.817 1.00 0.00 C ATOM 0 HA PRO A 618 -19.979 15.863 9.166 1.00 0.00 H new ATOM 0 HB2 PRO A 618 -20.625 13.170 8.951 1.00 0.00 H new ATOM 0 HB3 PRO A 618 -19.172 13.805 8.204 1.00 0.00 H new ATOM 0 HG2 PRO A 618 -19.473 12.352 10.825 1.00 0.00 H new ATOM 0 HG3 PRO A 618 -18.247 12.149 9.590 1.00 0.00 H new ATOM 0 HD2 PRO A 618 -17.772 13.598 11.846 1.00 0.00 H new ATOM 0 HD3 PRO A 618 -17.009 14.004 10.321 1.00 0.00 H new ATOM 1324 N SER A 619 -21.315 14.196 11.651 1.00 0.00 N ATOM 1325 CA SER A 619 -22.530 14.093 12.452 1.00 0.00 C ATOM 1326 C SER A 619 -22.760 15.368 13.257 1.00 0.00 C ATOM 1327 O SER A 619 -21.924 15.763 14.069 1.00 0.00 O ATOM 1328 CB SER A 619 -22.444 12.890 13.394 1.00 0.00 C ATOM 1329 OG SER A 619 -22.706 11.681 12.702 1.00 0.00 O ATOM 0 H SER A 619 -20.551 13.597 11.965 1.00 0.00 H new ATOM 0 HA SER A 619 -23.372 13.956 11.774 1.00 0.00 H new ATOM 0 HB2 SER A 619 -21.453 12.847 13.845 1.00 0.00 H new ATOM 0 HB3 SER A 619 -23.159 13.009 14.208 1.00 0.00 H new ATOM 0 HG SER A 619 -22.643 10.927 13.325 1.00 0.00 H new ATOM 1335 N SER A 620 -23.901 16.009 13.024 1.00 0.00 N ATOM 1336 CA SER A 620 -24.242 17.242 13.724 1.00 0.00 C ATOM 1337 C SER A 620 -25.094 16.951 14.955 1.00 0.00 C ATOM 1338 O SER A 620 -26.040 16.166 14.898 1.00 0.00 O ATOM 1339 CB SER A 620 -24.987 18.195 12.788 1.00 0.00 C ATOM 1340 OG SER A 620 -24.905 19.532 13.250 1.00 0.00 O ATOM 0 H SER A 620 -24.605 15.695 12.356 1.00 0.00 H new ATOM 0 HA SER A 620 -23.315 17.714 14.049 1.00 0.00 H new ATOM 0 HB2 SER A 620 -24.566 18.127 11.785 1.00 0.00 H new ATOM 0 HB3 SER A 620 -26.033 17.895 12.716 1.00 0.00 H new ATOM 0 HG SER A 620 -25.388 20.121 12.633 1.00 0.00 H new ATOM 1346 N GLY A 621 -24.751 17.590 16.069 1.00 0.00 N ATOM 1347 CA GLY A 621 -25.494 17.386 17.300 1.00 0.00 C ATOM 1348 C GLY A 621 -24.703 16.608 18.332 1.00 0.00 C ATOM 1349 O GLY A 621 -23.508 16.842 18.515 1.00 0.00 O ATOM 0 H GLY A 621 -23.972 18.245 16.142 1.00 0.00 H new ATOM 0 HA2 GLY A 621 -25.775 18.354 17.716 1.00 0.00 H new ATOM 0 HA3 GLY A 621 -26.419 16.854 17.079 1.00 0.00 H new TER 1353 GLY A 621