USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 774 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 573 GLN : amide:sc= 0.512 K(o=0.51,f=0.00068) USER MOD Set 1.2: A 575 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 522 MET CE :methyl 169:sc= -0.112 (180deg=-0.356) USER MOD Single : A 524 LYS NZ :NH3+ -144:sc= 1.23 (180deg=1.13) USER MOD Single : A 526 GLN : amide:sc= 0.274 X(o=0.27,f=-0.083) USER MOD Single : A 528 GLN : amide:sc= 0.619 K(o=0.62,f=-0.064) USER MOD Single : A 529 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 531 TYR OH : rot -159:sc= 1.29 USER MOD Single : A 532 THR OG1 : rot 180:sc= 0 USER MOD Single : A 534 THR OG1 : rot 180:sc= 0 USER MOD Single : A 536 THR OG1 : rot -88:sc= 0.847 USER MOD Single : A 540 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 542 LYS NZ :NH3+ -117:sc= 0.296 (180deg=0) USER MOD Single : A 553 GLN : amide:sc= 1.2 K(o=1.2,f=-0.6) USER MOD Single : A 554 ASN : amide:sc= 1.19 K(o=1.2,f=-0.15) USER MOD Single : A 558 GLN : amide:sc= 0.415 K(o=0.41,f=-1.3) USER MOD Single : A 564 MET CE :methyl 168:sc= -0.15 (180deg=-0.468) USER MOD Single : A 567 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 569 SER OG : rot 180:sc= 0 USER MOD Single : A 572 ASN : amide:sc= -1.26 K(o=-1.3,f=-9.1!) USER MOD Single : A 574 HIS : no HD1:sc= 0 X(o=0,f=-0.0013) USER MOD Single : A 579 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 580 CYS SG : rot 104:sc= -0.861 USER MOD Single : A 587 ASN : amide:sc= 1.14 K(o=1.1,f=-5.5!) USER MOD Single : A 589 THR OG1 : rot 0:sc= 0.554 USER MOD Single : B1728 SER OG : rot -40:sc= 0.00699 USER MOD Single : B1729 THR OG1 : rot -36:sc= 0.0478 USER MOD Single : B1742 ASN : amide:sc= 0.705 K(o=0.7,f=0) USER MOD Single : B1744 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 513 36.501 9.724 33.156 1.00 0.00 N ATOM 2 CA GLY A 513 35.200 10.413 33.136 1.00 0.00 C ATOM 3 C GLY A 513 34.394 10.067 31.889 1.00 0.00 C ATOM 4 O GLY A 513 34.821 9.248 31.077 1.00 0.00 O ATOM 0 HA2 GLY A 513 34.630 10.139 34.024 1.00 0.00 H new ATOM 0 HA3 GLY A 513 35.359 11.491 33.178 1.00 0.00 H new ATOM 10 N ARG A 514 33.205 10.668 31.729 1.00 0.00 N ATOM 11 CA ARG A 514 32.238 10.375 30.644 1.00 0.00 C ATOM 12 C ARG A 514 32.702 10.818 29.255 1.00 0.00 C ATOM 13 O ARG A 514 32.461 10.104 28.282 1.00 0.00 O ATOM 14 CB ARG A 514 30.886 11.078 30.907 1.00 0.00 C ATOM 15 CG ARG A 514 30.332 10.998 32.332 1.00 0.00 C ATOM 16 CD ARG A 514 30.075 9.557 32.804 1.00 0.00 C ATOM 17 NE ARG A 514 30.168 9.452 34.268 1.00 0.00 N ATOM 18 CZ ARG A 514 30.333 8.361 34.990 1.00 0.00 C ATOM 19 NH1 ARG A 514 30.390 7.167 34.477 1.00 0.00 N ATOM 20 NH2 ARG A 514 30.459 8.469 36.277 1.00 0.00 N ATOM 0 H ARG A 514 32.874 11.393 32.366 1.00 0.00 H new ATOM 0 HA ARG A 514 32.144 9.289 30.651 1.00 0.00 H new ATOM 0 HB2 ARG A 514 30.993 12.130 30.643 1.00 0.00 H new ATOM 0 HB3 ARG A 514 30.145 10.653 30.230 1.00 0.00 H new ATOM 0 HG2 ARG A 514 31.034 11.477 33.015 1.00 0.00 H new ATOM 0 HG3 ARG A 514 29.401 11.562 32.385 1.00 0.00 H new ATOM 0 HD2 ARG A 514 29.087 9.235 32.476 1.00 0.00 H new ATOM 0 HD3 ARG A 514 30.799 8.886 32.342 1.00 0.00 H new ATOM 0 HE ARG A 514 30.096 10.327 34.787 1.00 0.00 H new ATOM 0 HH11 ARG A 514 30.306 7.041 33.468 1.00 0.00 H new ATOM 0 HH12 ARG A 514 30.519 6.357 35.083 1.00 0.00 H new ATOM 0 HH21 ARG A 514 30.430 9.389 36.717 1.00 0.00 H new ATOM 0 HH22 ARG A 514 30.587 7.634 36.849 1.00 0.00 H new ATOM 34 N LEU A 515 33.273 12.019 29.163 1.00 0.00 N ATOM 35 CA LEU A 515 33.418 12.881 27.982 1.00 0.00 C ATOM 36 C LEU A 515 32.092 13.423 27.387 1.00 0.00 C ATOM 37 O LEU A 515 32.122 14.395 26.628 1.00 0.00 O ATOM 38 CB LEU A 515 34.300 12.199 26.927 1.00 0.00 C ATOM 39 CG LEU A 515 35.668 11.659 27.390 1.00 0.00 C ATOM 40 CD1 LEU A 515 36.344 10.901 26.249 1.00 0.00 C ATOM 41 CD2 LEU A 515 36.602 12.789 27.817 1.00 0.00 C ATOM 0 H LEU A 515 33.685 12.456 29.987 1.00 0.00 H new ATOM 0 HA LEU A 515 33.919 13.782 28.335 1.00 0.00 H new ATOM 0 HB2 LEU A 515 33.736 11.369 26.502 1.00 0.00 H new ATOM 0 HB3 LEU A 515 34.474 12.912 26.121 1.00 0.00 H new ATOM 0 HG LEU A 515 35.483 11.002 28.240 1.00 0.00 H new ATOM 0 HD11 LEU A 515 37.310 10.523 26.585 1.00 0.00 H new ATOM 0 HD12 LEU A 515 35.714 10.066 25.943 1.00 0.00 H new ATOM 0 HD13 LEU A 515 36.492 11.573 25.403 1.00 0.00 H new ATOM 0 HD21 LEU A 515 37.556 12.371 28.137 1.00 0.00 H new ATOM 0 HD22 LEU A 515 36.765 13.464 26.976 1.00 0.00 H new ATOM 0 HD23 LEU A 515 36.152 13.340 28.643 1.00 0.00 H new ATOM 53 N ASP A 516 30.937 12.852 27.745 1.00 0.00 N ATOM 54 CA ASP A 516 29.599 13.329 27.359 1.00 0.00 C ATOM 55 C ASP A 516 29.111 14.552 28.171 1.00 0.00 C ATOM 56 O ASP A 516 29.573 14.796 29.290 1.00 0.00 O ATOM 57 CB ASP A 516 28.600 12.163 27.413 1.00 0.00 C ATOM 58 CG ASP A 516 27.177 12.584 27.050 1.00 0.00 C ATOM 59 OD1 ASP A 516 26.230 12.217 27.784 1.00 0.00 O ATOM 60 OD2 ASP A 516 26.998 13.271 26.014 1.00 0.00 O ATOM 0 H ASP A 516 30.904 12.018 28.331 1.00 0.00 H new ATOM 0 HA ASP A 516 29.670 13.693 26.334 1.00 0.00 H new ATOM 0 HB2 ASP A 516 28.927 11.379 26.730 1.00 0.00 H new ATOM 0 HB3 ASP A 516 28.603 11.735 28.415 1.00 0.00 H new ATOM 65 N LEU A 517 28.170 15.325 27.621 1.00 0.00 N ATOM 66 CA LEU A 517 27.862 16.702 28.008 1.00 0.00 C ATOM 67 C LEU A 517 26.347 16.995 28.113 1.00 0.00 C ATOM 68 O LEU A 517 25.522 16.247 27.578 1.00 0.00 O ATOM 69 CB LEU A 517 28.556 17.621 26.987 1.00 0.00 C ATOM 70 CG LEU A 517 30.082 17.675 27.159 1.00 0.00 C ATOM 71 CD1 LEU A 517 30.605 18.806 26.297 1.00 0.00 C ATOM 72 CD2 LEU A 517 30.548 18.024 28.572 1.00 0.00 C ATOM 0 H LEU A 517 27.577 14.992 26.861 1.00 0.00 H new ATOM 0 HA LEU A 517 28.235 16.883 29.016 1.00 0.00 H new ATOM 0 HB2 LEU A 517 28.323 17.276 25.980 1.00 0.00 H new ATOM 0 HB3 LEU A 517 28.151 18.628 27.081 1.00 0.00 H new ATOM 0 HG LEU A 517 30.445 16.680 26.901 1.00 0.00 H new ATOM 0 HD11 LEU A 517 31.688 18.870 26.398 1.00 0.00 H new ATOM 0 HD12 LEU A 517 30.348 18.618 25.255 1.00 0.00 H new ATOM 0 HD13 LEU A 517 30.155 19.746 26.617 1.00 0.00 H new ATOM 0 HD21 LEU A 517 31.637 18.040 28.602 1.00 0.00 H new ATOM 0 HD22 LEU A 517 30.163 19.005 28.850 1.00 0.00 H new ATOM 0 HD23 LEU A 517 30.176 17.276 29.273 1.00 0.00 H new ATOM 84 N PRO A 518 25.966 18.076 28.823 1.00 0.00 N ATOM 85 CA PRO A 518 24.574 18.415 29.127 1.00 0.00 C ATOM 86 C PRO A 518 23.736 18.814 27.898 1.00 0.00 C ATOM 87 O PRO A 518 24.293 19.176 26.854 1.00 0.00 O ATOM 88 CB PRO A 518 24.638 19.519 30.193 1.00 0.00 C ATOM 89 CG PRO A 518 26.025 20.129 30.028 1.00 0.00 C ATOM 90 CD PRO A 518 26.870 18.980 29.515 1.00 0.00 C ATOM 0 HA PRO A 518 24.046 17.535 29.494 1.00 0.00 H new ATOM 0 HB2 PRO A 518 23.856 20.263 30.041 1.00 0.00 H new ATOM 0 HB3 PRO A 518 24.500 19.112 31.195 1.00 0.00 H new ATOM 0 HG2 PRO A 518 26.014 20.962 29.325 1.00 0.00 H new ATOM 0 HG3 PRO A 518 26.407 20.515 30.973 1.00 0.00 H new ATOM 0 HD2 PRO A 518 27.647 19.341 28.842 1.00 0.00 H new ATOM 0 HD3 PRO A 518 27.372 18.471 30.338 1.00 0.00 H new ATOM 98 N PRO A 519 22.392 18.761 28.010 1.00 0.00 N ATOM 99 CA PRO A 519 21.488 19.085 26.911 1.00 0.00 C ATOM 100 C PRO A 519 21.636 20.555 26.514 1.00 0.00 C ATOM 101 O PRO A 519 21.587 21.456 27.355 1.00 0.00 O ATOM 102 CB PRO A 519 20.076 18.764 27.414 1.00 0.00 C ATOM 103 CG PRO A 519 20.195 18.940 28.927 1.00 0.00 C ATOM 104 CD PRO A 519 21.623 18.478 29.217 1.00 0.00 C ATOM 0 HA PRO A 519 21.712 18.507 26.014 1.00 0.00 H new ATOM 0 HB2 PRO A 519 19.334 19.439 26.987 1.00 0.00 H new ATOM 0 HB3 PRO A 519 19.775 17.750 27.149 1.00 0.00 H new ATOM 0 HG2 PRO A 519 20.038 19.976 29.226 1.00 0.00 H new ATOM 0 HG3 PRO A 519 19.460 18.339 29.462 1.00 0.00 H new ATOM 0 HD2 PRO A 519 22.037 19.006 30.076 1.00 0.00 H new ATOM 0 HD3 PRO A 519 21.648 17.415 29.455 1.00 0.00 H new ATOM 112 N GLY A 520 21.844 20.804 25.224 1.00 0.00 N ATOM 113 CA GLY A 520 22.064 22.147 24.692 1.00 0.00 C ATOM 114 C GLY A 520 23.452 22.741 24.961 1.00 0.00 C ATOM 115 O GLY A 520 23.661 23.890 24.575 1.00 0.00 O ATOM 0 H GLY A 520 21.865 20.074 24.512 1.00 0.00 H new ATOM 0 HA2 GLY A 520 21.900 22.124 23.615 1.00 0.00 H new ATOM 0 HA3 GLY A 520 21.313 22.815 25.115 1.00 0.00 H new ATOM 119 N PHE A 521 24.404 22.013 25.576 1.00 0.00 N ATOM 120 CA PHE A 521 25.773 22.475 25.821 1.00 0.00 C ATOM 121 C PHE A 521 26.428 23.362 24.739 1.00 0.00 C ATOM 122 O PHE A 521 26.378 23.014 23.554 1.00 0.00 O ATOM 123 CB PHE A 521 26.641 21.266 26.183 1.00 0.00 C ATOM 124 CG PHE A 521 28.120 21.550 26.193 1.00 0.00 C ATOM 125 CD1 PHE A 521 28.733 21.948 27.393 1.00 0.00 C ATOM 126 CD2 PHE A 521 28.869 21.465 25.003 1.00 0.00 C ATOM 127 CE1 PHE A 521 30.099 22.276 27.396 1.00 0.00 C ATOM 128 CE2 PHE A 521 30.233 21.786 25.015 1.00 0.00 C ATOM 129 CZ PHE A 521 30.845 22.186 26.210 1.00 0.00 C ATOM 0 H PHE A 521 24.233 21.069 25.921 1.00 0.00 H new ATOM 0 HA PHE A 521 25.698 23.175 26.654 1.00 0.00 H new ATOM 0 HB2 PHE A 521 26.345 20.902 27.167 1.00 0.00 H new ATOM 0 HB3 PHE A 521 26.441 20.463 25.473 1.00 0.00 H new ATOM 0 HD1 PHE A 521 28.159 22.001 28.306 1.00 0.00 H new ATOM 0 HD2 PHE A 521 28.394 21.154 24.085 1.00 0.00 H new ATOM 0 HE1 PHE A 521 30.575 22.597 28.311 1.00 0.00 H new ATOM 0 HE2 PHE A 521 30.811 21.725 24.105 1.00 0.00 H new ATOM 0 HZ PHE A 521 31.898 22.427 26.219 1.00 0.00 H new ATOM 139 N MET A 522 27.043 24.484 25.133 1.00 0.00 N ATOM 140 CA MET A 522 27.657 25.452 24.207 1.00 0.00 C ATOM 141 C MET A 522 29.180 25.286 24.111 1.00 0.00 C ATOM 142 O MET A 522 29.736 25.126 23.019 1.00 0.00 O ATOM 143 CB MET A 522 27.314 26.894 24.627 1.00 0.00 C ATOM 144 CG MET A 522 25.813 27.112 24.819 1.00 0.00 C ATOM 145 SD MET A 522 25.237 28.825 24.696 1.00 0.00 S ATOM 146 CE MET A 522 26.022 29.551 26.155 1.00 0.00 C ATOM 0 H MET A 522 27.131 24.751 26.114 1.00 0.00 H new ATOM 0 HA MET A 522 27.241 25.251 23.220 1.00 0.00 H new ATOM 0 HB2 MET A 522 27.833 27.131 25.556 1.00 0.00 H new ATOM 0 HB3 MET A 522 27.684 27.586 23.870 1.00 0.00 H new ATOM 0 HG2 MET A 522 25.282 26.517 24.076 1.00 0.00 H new ATOM 0 HG3 MET A 522 25.532 26.725 25.798 1.00 0.00 H new ATOM 0 HE1 MET A 522 25.928 30.636 26.117 1.00 0.00 H new ATOM 0 HE2 MET A 522 25.535 29.176 27.055 1.00 0.00 H new ATOM 0 HE3 MET A 522 27.077 29.279 26.174 1.00 0.00 H new ATOM 156 N PHE A 523 29.841 25.372 25.267 1.00 0.00 N ATOM 157 CA PHE A 523 31.290 25.410 25.462 1.00 0.00 C ATOM 158 C PHE A 523 31.682 25.194 26.919 1.00 0.00 C ATOM 159 O PHE A 523 30.831 25.228 27.799 1.00 0.00 O ATOM 160 CB PHE A 523 31.900 26.703 24.904 1.00 0.00 C ATOM 161 CG PHE A 523 31.247 28.011 25.313 1.00 0.00 C ATOM 162 CD1 PHE A 523 30.224 28.579 24.529 1.00 0.00 C ATOM 163 CD2 PHE A 523 31.706 28.692 26.456 1.00 0.00 C ATOM 164 CE1 PHE A 523 29.647 29.806 24.901 1.00 0.00 C ATOM 165 CE2 PHE A 523 31.133 29.922 26.822 1.00 0.00 C ATOM 166 CZ PHE A 523 30.098 30.476 26.050 1.00 0.00 C ATOM 0 H PHE A 523 29.341 25.420 26.155 1.00 0.00 H new ATOM 0 HA PHE A 523 31.705 24.577 24.895 1.00 0.00 H new ATOM 0 HB2 PHE A 523 32.947 26.740 25.205 1.00 0.00 H new ATOM 0 HB3 PHE A 523 31.883 26.643 23.816 1.00 0.00 H new ATOM 0 HD1 PHE A 523 29.882 28.071 23.640 1.00 0.00 H new ATOM 0 HD2 PHE A 523 32.500 28.269 27.053 1.00 0.00 H new ATOM 0 HE1 PHE A 523 28.856 30.234 24.303 1.00 0.00 H new ATOM 0 HE2 PHE A 523 31.489 30.443 27.699 1.00 0.00 H new ATOM 0 HZ PHE A 523 29.650 31.415 26.340 1.00 0.00 H new ATOM 176 N LYS A 524 32.956 24.967 27.206 1.00 0.00 N ATOM 177 CA LYS A 524 33.484 24.927 28.573 1.00 0.00 C ATOM 178 C LYS A 524 34.239 26.219 28.919 1.00 0.00 C ATOM 179 O LYS A 524 34.682 26.971 28.048 1.00 0.00 O ATOM 180 CB LYS A 524 34.371 23.689 28.750 1.00 0.00 C ATOM 181 CG LYS A 524 33.664 22.353 28.556 1.00 0.00 C ATOM 182 CD LYS A 524 34.555 21.181 28.978 1.00 0.00 C ATOM 183 CE LYS A 524 33.963 19.882 28.442 1.00 0.00 C ATOM 184 NZ LYS A 524 34.882 18.738 28.624 1.00 0.00 N ATOM 0 H LYS A 524 33.665 24.803 26.491 1.00 0.00 H new ATOM 0 HA LYS A 524 32.649 24.855 29.269 1.00 0.00 H new ATOM 0 HB2 LYS A 524 35.199 23.750 28.043 1.00 0.00 H new ATOM 0 HB3 LYS A 524 34.804 23.711 29.750 1.00 0.00 H new ATOM 0 HG2 LYS A 524 32.743 22.339 29.139 1.00 0.00 H new ATOM 0 HG3 LYS A 524 33.381 22.238 27.510 1.00 0.00 H new ATOM 0 HD2 LYS A 524 35.565 21.320 28.593 1.00 0.00 H new ATOM 0 HD3 LYS A 524 34.631 21.139 30.065 1.00 0.00 H new ATOM 0 HE2 LYS A 524 33.022 19.675 28.951 1.00 0.00 H new ATOM 0 HE3 LYS A 524 33.734 19.998 27.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 524 34.801 18.095 27.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 524 35.860 19.086 28.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 524 34.633 18.228 29.495 1.00 0.00 H new ATOM 198 N VAL A 525 34.456 26.424 30.213 1.00 0.00 N ATOM 199 CA VAL A 525 35.394 27.393 30.811 1.00 0.00 C ATOM 200 C VAL A 525 36.190 26.706 31.929 1.00 0.00 C ATOM 201 O VAL A 525 35.724 25.694 32.451 1.00 0.00 O ATOM 202 CB VAL A 525 34.678 28.663 31.314 1.00 0.00 C ATOM 203 CG1 VAL A 525 33.800 29.305 30.234 1.00 0.00 C ATOM 204 CG2 VAL A 525 33.797 28.306 32.508 1.00 0.00 C ATOM 0 H VAL A 525 33.956 25.890 30.924 1.00 0.00 H new ATOM 0 HA VAL A 525 36.086 27.727 30.038 1.00 0.00 H new ATOM 0 HB VAL A 525 35.449 29.381 31.593 1.00 0.00 H new ATOM 0 HG11 VAL A 525 33.318 30.195 30.638 1.00 0.00 H new ATOM 0 HG12 VAL A 525 34.418 29.583 29.380 1.00 0.00 H new ATOM 0 HG13 VAL A 525 33.038 28.594 29.914 1.00 0.00 H new ATOM 0 HG21 VAL A 525 33.289 29.202 32.866 1.00 0.00 H new ATOM 0 HG22 VAL A 525 33.057 27.566 32.205 1.00 0.00 H new ATOM 0 HG23 VAL A 525 34.415 27.896 33.306 1.00 0.00 H new ATOM 214 N GLN A 526 37.343 27.241 32.344 1.00 0.00 N ATOM 215 CA GLN A 526 38.059 26.769 33.542 1.00 0.00 C ATOM 216 C GLN A 526 38.314 27.898 34.552 1.00 0.00 C ATOM 217 O GLN A 526 38.871 28.934 34.188 1.00 0.00 O ATOM 218 CB GLN A 526 39.366 26.056 33.161 1.00 0.00 C ATOM 219 CG GLN A 526 39.947 25.315 34.381 1.00 0.00 C ATOM 220 CD GLN A 526 41.071 24.349 34.027 1.00 0.00 C ATOM 221 OE1 GLN A 526 41.865 24.569 33.120 1.00 0.00 O ATOM 222 NE2 GLN A 526 41.202 23.267 34.759 1.00 0.00 N ATOM 0 H GLN A 526 37.808 28.011 31.863 1.00 0.00 H new ATOM 0 HA GLN A 526 37.410 26.046 34.036 1.00 0.00 H new ATOM 0 HB2 GLN A 526 39.180 25.349 32.352 1.00 0.00 H new ATOM 0 HB3 GLN A 526 40.089 26.782 32.790 1.00 0.00 H new ATOM 0 HG2 GLN A 526 40.320 26.047 35.097 1.00 0.00 H new ATOM 0 HG3 GLN A 526 39.147 24.764 34.876 1.00 0.00 H new ATOM 0 HE21 GLN A 526 40.543 23.080 35.515 1.00 0.00 H new ATOM 0 HE22 GLN A 526 41.962 22.614 34.572 1.00 0.00 H new ATOM 231 N ALA A 527 37.945 27.707 35.822 1.00 0.00 N ATOM 232 CA ALA A 527 38.161 28.675 36.902 1.00 0.00 C ATOM 233 C ALA A 527 39.657 28.960 37.098 1.00 0.00 C ATOM 234 O ALA A 527 40.464 28.055 37.315 1.00 0.00 O ATOM 235 CB ALA A 527 37.461 28.185 38.181 1.00 0.00 C ATOM 0 H ALA A 527 37.477 26.856 36.135 1.00 0.00 H new ATOM 0 HA ALA A 527 37.712 29.631 36.634 1.00 0.00 H new ATOM 0 HB1 ALA A 527 37.622 28.905 38.983 1.00 0.00 H new ATOM 0 HB2 ALA A 527 36.392 28.083 37.994 1.00 0.00 H new ATOM 0 HB3 ALA A 527 37.872 27.219 38.473 1.00 0.00 H new ATOM 241 N GLN A 528 40.016 30.236 37.010 1.00 0.00 N ATOM 242 CA GLN A 528 41.337 30.770 37.339 1.00 0.00 C ATOM 243 C GLN A 528 41.451 31.077 38.837 1.00 0.00 C ATOM 244 O GLN A 528 42.485 30.817 39.449 1.00 0.00 O ATOM 245 CB GLN A 528 41.564 32.055 36.526 1.00 0.00 C ATOM 246 CG GLN A 528 41.482 31.886 35.007 1.00 0.00 C ATOM 247 CD GLN A 528 42.338 30.731 34.529 1.00 0.00 C ATOM 248 OE1 GLN A 528 43.562 30.758 34.569 1.00 0.00 O ATOM 249 NE2 GLN A 528 41.702 29.638 34.187 1.00 0.00 N ATOM 0 H GLN A 528 39.369 30.959 36.694 1.00 0.00 H new ATOM 0 HA GLN A 528 42.093 30.025 37.091 1.00 0.00 H new ATOM 0 HB2 GLN A 528 40.826 32.796 36.834 1.00 0.00 H new ATOM 0 HB3 GLN A 528 42.545 32.458 36.779 1.00 0.00 H new ATOM 0 HG2 GLN A 528 40.446 31.718 34.714 1.00 0.00 H new ATOM 0 HG3 GLN A 528 41.805 32.806 34.520 1.00 0.00 H new ATOM 0 HE21 GLN A 528 40.682 29.629 34.158 1.00 0.00 H new ATOM 0 HE22 GLN A 528 42.226 28.796 33.950 1.00 0.00 H new ATOM 258 N HIS A 529 40.356 31.575 39.417 1.00 0.00 N ATOM 259 CA HIS A 529 40.175 31.887 40.832 1.00 0.00 C ATOM 260 C HIS A 529 38.901 31.203 41.347 1.00 0.00 C ATOM 261 O HIS A 529 37.993 30.899 40.574 1.00 0.00 O ATOM 262 CB HIS A 529 40.109 33.411 41.027 1.00 0.00 C ATOM 263 CG HIS A 529 41.388 34.128 40.685 1.00 0.00 C ATOM 264 ND1 HIS A 529 42.379 34.499 41.564 1.00 0.00 N ATOM 265 CD2 HIS A 529 41.783 34.528 39.439 1.00 0.00 C ATOM 266 CE1 HIS A 529 43.349 35.111 40.864 1.00 0.00 C ATOM 267 NE2 HIS A 529 43.036 35.145 39.553 1.00 0.00 N ATOM 0 H HIS A 529 39.519 31.784 38.873 1.00 0.00 H new ATOM 0 HA HIS A 529 41.023 31.512 41.405 1.00 0.00 H new ATOM 0 HB2 HIS A 529 39.304 33.811 40.411 1.00 0.00 H new ATOM 0 HB3 HIS A 529 39.852 33.623 42.065 1.00 0.00 H new ATOM 0 HD2 HIS A 529 41.225 34.392 38.524 1.00 0.00 H new ATOM 0 HE1 HIS A 529 44.253 35.519 41.292 1.00 0.00 H new ATOM 0 HE2 HIS A 529 43.597 35.539 38.798 1.00 0.00 H new ATOM 275 N ASP A 530 38.826 30.948 42.649 1.00 0.00 N ATOM 276 CA ASP A 530 37.657 30.333 43.275 1.00 0.00 C ATOM 277 C ASP A 530 36.624 31.450 43.520 1.00 0.00 C ATOM 278 O ASP A 530 36.968 32.620 43.740 1.00 0.00 O ATOM 279 CB ASP A 530 38.087 29.651 44.585 1.00 0.00 C ATOM 280 CG ASP A 530 38.212 30.597 45.773 1.00 0.00 C ATOM 281 OD1 ASP A 530 39.311 31.165 45.975 1.00 0.00 O ATOM 282 OD2 ASP A 530 37.211 30.746 46.513 1.00 0.00 O ATOM 0 H ASP A 530 39.577 31.163 43.305 1.00 0.00 H new ATOM 0 HA ASP A 530 37.211 29.567 42.640 1.00 0.00 H new ATOM 0 HB2 ASP A 530 37.364 28.873 44.830 1.00 0.00 H new ATOM 0 HB3 ASP A 530 39.046 29.157 44.426 1.00 0.00 H new ATOM 287 N TYR A 531 35.349 31.062 43.510 1.00 0.00 N ATOM 288 CA TYR A 531 34.205 31.943 43.689 1.00 0.00 C ATOM 289 C TYR A 531 33.120 31.351 44.597 1.00 0.00 C ATOM 290 O TYR A 531 32.473 30.359 44.250 1.00 0.00 O ATOM 291 CB TYR A 531 33.661 32.396 42.329 1.00 0.00 C ATOM 292 CG TYR A 531 32.423 33.271 42.487 1.00 0.00 C ATOM 293 CD1 TYR A 531 32.593 34.618 42.853 1.00 0.00 C ATOM 294 CD2 TYR A 531 31.122 32.726 42.431 1.00 0.00 C ATOM 295 CE1 TYR A 531 31.483 35.397 43.233 1.00 0.00 C ATOM 296 CE2 TYR A 531 30.004 33.510 42.791 1.00 0.00 C ATOM 297 CZ TYR A 531 30.188 34.841 43.228 1.00 0.00 C ATOM 298 OH TYR A 531 29.148 35.592 43.688 1.00 0.00 O ATOM 0 H TYR A 531 35.079 30.088 43.372 1.00 0.00 H new ATOM 0 HA TYR A 531 34.556 32.828 44.220 1.00 0.00 H new ATOM 0 HB2 TYR A 531 34.433 32.949 41.793 1.00 0.00 H new ATOM 0 HB3 TYR A 531 33.416 31.523 41.724 1.00 0.00 H new ATOM 0 HD1 TYR A 531 33.580 35.057 42.843 1.00 0.00 H new ATOM 0 HD2 TYR A 531 30.981 31.704 42.111 1.00 0.00 H new ATOM 0 HE1 TYR A 531 31.625 36.426 43.530 1.00 0.00 H new ATOM 0 HE2 TYR A 531 29.010 33.093 42.732 1.00 0.00 H new ATOM 0 HH TYR A 531 28.403 35.004 43.932 1.00 0.00 H new ATOM 308 N THR A 532 32.916 31.968 45.759 1.00 0.00 N ATOM 309 CA THR A 532 31.825 31.647 46.689 1.00 0.00 C ATOM 310 C THR A 532 30.528 32.383 46.379 1.00 0.00 C ATOM 311 O THR A 532 30.485 33.614 46.427 1.00 0.00 O ATOM 312 CB THR A 532 32.213 31.781 48.170 1.00 0.00 C ATOM 313 OG1 THR A 532 33.538 31.357 48.398 1.00 0.00 O ATOM 314 CG2 THR A 532 31.308 30.953 49.080 1.00 0.00 C ATOM 0 H THR A 532 33.516 32.723 46.092 1.00 0.00 H new ATOM 0 HA THR A 532 31.632 30.588 46.518 1.00 0.00 H new ATOM 0 HB THR A 532 32.105 32.840 48.405 1.00 0.00 H new ATOM 0 HG1 THR A 532 33.754 31.456 49.349 1.00 0.00 H new ATOM 0 HG21 THR A 532 31.621 31.079 50.117 1.00 0.00 H new ATOM 0 HG22 THR A 532 30.276 31.287 48.969 1.00 0.00 H new ATOM 0 HG23 THR A 532 31.380 29.901 48.805 1.00 0.00 H new ATOM 322 N ALA A 533 29.464 31.641 46.085 1.00 0.00 N ATOM 323 CA ALA A 533 28.148 32.166 45.761 1.00 0.00 C ATOM 324 C ALA A 533 27.436 32.794 46.969 1.00 0.00 C ATOM 325 O ALA A 533 27.556 32.338 48.111 1.00 0.00 O ATOM 326 CB ALA A 533 27.334 31.021 45.155 1.00 0.00 C ATOM 0 H ALA A 533 29.499 30.622 46.066 1.00 0.00 H new ATOM 0 HA ALA A 533 28.253 32.983 45.047 1.00 0.00 H new ATOM 0 HB1 ALA A 533 26.337 31.379 44.899 1.00 0.00 H new ATOM 0 HB2 ALA A 533 27.831 30.657 44.256 1.00 0.00 H new ATOM 0 HB3 ALA A 533 27.253 30.210 45.878 1.00 0.00 H new ATOM 332 N THR A 534 26.655 33.831 46.686 1.00 0.00 N ATOM 333 CA THR A 534 25.728 34.484 47.631 1.00 0.00 C ATOM 334 C THR A 534 24.263 34.081 47.423 1.00 0.00 C ATOM 335 O THR A 534 23.520 33.976 48.401 1.00 0.00 O ATOM 336 CB THR A 534 25.934 36.010 47.618 1.00 0.00 C ATOM 337 OG1 THR A 534 25.169 36.628 48.628 1.00 0.00 O ATOM 338 CG2 THR A 534 25.577 36.696 46.300 1.00 0.00 C ATOM 0 H THR A 534 26.642 34.263 45.762 1.00 0.00 H new ATOM 0 HA THR A 534 25.974 34.120 48.629 1.00 0.00 H new ATOM 0 HB THR A 534 27.005 36.132 47.780 1.00 0.00 H new ATOM 0 HG1 THR A 534 25.316 37.597 48.603 1.00 0.00 H new ATOM 0 HG21 THR A 534 25.755 37.768 46.388 1.00 0.00 H new ATOM 0 HG22 THR A 534 26.195 36.290 45.499 1.00 0.00 H new ATOM 0 HG23 THR A 534 24.526 36.520 46.071 1.00 0.00 H new ATOM 346 N ASP A 535 23.860 33.790 46.182 1.00 0.00 N ATOM 347 CA ASP A 535 22.470 33.541 45.774 1.00 0.00 C ATOM 348 C ASP A 535 22.098 32.089 45.428 1.00 0.00 C ATOM 349 O ASP A 535 22.945 31.302 44.995 1.00 0.00 O ATOM 350 CB ASP A 535 22.059 34.523 44.663 1.00 0.00 C ATOM 351 CG ASP A 535 21.755 35.951 45.135 1.00 0.00 C ATOM 352 OD1 ASP A 535 21.570 36.833 44.268 1.00 0.00 O ATOM 353 OD2 ASP A 535 21.681 36.243 46.352 1.00 0.00 O ATOM 0 H ASP A 535 24.516 33.718 45.404 1.00 0.00 H new ATOM 0 HA ASP A 535 21.883 33.724 46.674 1.00 0.00 H new ATOM 0 HB2 ASP A 535 22.858 34.564 43.922 1.00 0.00 H new ATOM 0 HB3 ASP A 535 21.177 34.128 44.159 1.00 0.00 H new ATOM 358 N THR A 536 20.813 31.741 45.551 1.00 0.00 N ATOM 359 CA THR A 536 20.282 30.381 45.291 1.00 0.00 C ATOM 360 C THR A 536 20.355 29.881 43.836 1.00 0.00 C ATOM 361 O THR A 536 20.220 28.681 43.585 1.00 0.00 O ATOM 362 CB THR A 536 18.889 30.207 45.926 1.00 0.00 C ATOM 363 OG1 THR A 536 18.561 28.844 46.068 1.00 0.00 O ATOM 364 CG2 THR A 536 17.757 30.840 45.133 1.00 0.00 C ATOM 0 H THR A 536 20.092 32.403 45.839 1.00 0.00 H new ATOM 0 HA THR A 536 20.980 29.710 45.791 1.00 0.00 H new ATOM 0 HB THR A 536 18.974 30.713 46.888 1.00 0.00 H new ATOM 0 HG1 THR A 536 18.128 28.525 45.249 1.00 0.00 H new ATOM 0 HG21 THR A 536 16.812 30.671 45.650 1.00 0.00 H new ATOM 0 HG22 THR A 536 17.933 31.912 45.040 1.00 0.00 H new ATOM 0 HG23 THR A 536 17.713 30.392 44.140 1.00 0.00 H new ATOM 372 N ASP A 537 20.627 30.785 42.888 1.00 0.00 N ATOM 373 CA ASP A 537 20.993 30.491 41.491 1.00 0.00 C ATOM 374 C ASP A 537 22.419 30.866 41.045 1.00 0.00 C ATOM 375 O ASP A 537 22.790 30.643 39.895 1.00 0.00 O ATOM 376 CB ASP A 537 19.885 30.916 40.500 1.00 0.00 C ATOM 377 CG ASP A 537 18.712 29.937 40.402 1.00 0.00 C ATOM 378 OD1 ASP A 537 17.586 30.356 40.046 1.00 0.00 O ATOM 379 OD2 ASP A 537 18.911 28.717 40.602 1.00 0.00 O ATOM 0 H ASP A 537 20.598 31.787 43.078 1.00 0.00 H new ATOM 0 HA ASP A 537 21.053 29.403 41.465 1.00 0.00 H new ATOM 0 HB2 ASP A 537 19.503 31.892 40.798 1.00 0.00 H new ATOM 0 HB3 ASP A 537 20.326 31.035 39.510 1.00 0.00 H new ATOM 384 N GLU A 538 23.268 31.385 41.938 1.00 0.00 N ATOM 385 CA GLU A 538 24.698 31.500 41.655 1.00 0.00 C ATOM 386 C GLU A 538 25.398 30.129 41.728 1.00 0.00 C ATOM 387 O GLU A 538 25.058 29.279 42.560 1.00 0.00 O ATOM 388 CB GLU A 538 25.355 32.521 42.591 1.00 0.00 C ATOM 389 CG GLU A 538 25.266 33.967 42.076 1.00 0.00 C ATOM 390 CD GLU A 538 26.054 34.958 42.949 1.00 0.00 C ATOM 391 OE1 GLU A 538 26.747 34.520 43.902 1.00 0.00 O ATOM 392 OE2 GLU A 538 25.987 36.183 42.694 1.00 0.00 O ATOM 0 H GLU A 538 22.990 31.730 42.857 1.00 0.00 H new ATOM 0 HA GLU A 538 24.812 31.863 40.633 1.00 0.00 H new ATOM 0 HB2 GLU A 538 24.881 32.462 43.571 1.00 0.00 H new ATOM 0 HB3 GLU A 538 26.403 32.256 42.728 1.00 0.00 H new ATOM 0 HG2 GLU A 538 25.644 34.008 41.055 1.00 0.00 H new ATOM 0 HG3 GLU A 538 24.220 34.272 42.041 1.00 0.00 H new ATOM 399 N LEU A 539 26.367 29.903 40.843 1.00 0.00 N ATOM 400 CA LEU A 539 27.214 28.713 40.777 1.00 0.00 C ATOM 401 C LEU A 539 28.465 28.920 41.647 1.00 0.00 C ATOM 402 O LEU A 539 29.149 29.936 41.521 1.00 0.00 O ATOM 403 CB LEU A 539 27.616 28.467 39.304 1.00 0.00 C ATOM 404 CG LEU A 539 27.617 27.002 38.829 1.00 0.00 C ATOM 405 CD1 LEU A 539 28.351 26.871 37.510 1.00 0.00 C ATOM 406 CD2 LEU A 539 28.296 26.027 39.785 1.00 0.00 C ATOM 0 H LEU A 539 26.595 30.580 40.115 1.00 0.00 H new ATOM 0 HA LEU A 539 26.671 27.846 41.152 1.00 0.00 H new ATOM 0 HB2 LEU A 539 26.937 29.032 38.666 1.00 0.00 H new ATOM 0 HB3 LEU A 539 28.614 28.877 39.149 1.00 0.00 H new ATOM 0 HG LEU A 539 26.560 26.746 38.755 1.00 0.00 H new ATOM 0 HD11 LEU A 539 28.341 25.829 37.190 1.00 0.00 H new ATOM 0 HD12 LEU A 539 27.859 27.486 36.757 1.00 0.00 H new ATOM 0 HD13 LEU A 539 29.382 27.203 37.633 1.00 0.00 H new ATOM 0 HD21 LEU A 539 28.250 25.020 39.371 1.00 0.00 H new ATOM 0 HD22 LEU A 539 29.338 26.316 39.920 1.00 0.00 H new ATOM 0 HD23 LEU A 539 27.786 26.047 40.748 1.00 0.00 H new ATOM 418 N GLN A 540 28.795 27.957 42.505 1.00 0.00 N ATOM 419 CA GLN A 540 30.041 27.978 43.274 1.00 0.00 C ATOM 420 C GLN A 540 31.208 27.382 42.469 1.00 0.00 C ATOM 421 O GLN A 540 31.092 26.271 41.949 1.00 0.00 O ATOM 422 CB GLN A 540 29.820 27.193 44.565 1.00 0.00 C ATOM 423 CG GLN A 540 30.953 27.438 45.575 1.00 0.00 C ATOM 424 CD GLN A 540 30.868 26.578 46.831 1.00 0.00 C ATOM 425 OE1 GLN A 540 31.777 25.817 47.145 1.00 0.00 O ATOM 426 NE2 GLN A 540 29.783 26.601 47.570 1.00 0.00 N ATOM 0 H GLN A 540 28.210 27.142 42.688 1.00 0.00 H new ATOM 0 HA GLN A 540 30.308 29.010 43.503 1.00 0.00 H new ATOM 0 HB2 GLN A 540 28.867 27.481 45.009 1.00 0.00 H new ATOM 0 HB3 GLN A 540 29.757 26.129 44.339 1.00 0.00 H new ATOM 0 HG2 GLN A 540 31.908 27.251 45.085 1.00 0.00 H new ATOM 0 HG3 GLN A 540 30.944 28.488 45.866 1.00 0.00 H new ATOM 0 HE21 GLN A 540 29.014 27.226 47.328 1.00 0.00 H new ATOM 0 HE22 GLN A 540 29.709 25.994 48.386 1.00 0.00 H new ATOM 435 N LEU A 541 32.348 28.081 42.420 1.00 0.00 N ATOM 436 CA LEU A 541 33.561 27.644 41.714 1.00 0.00 C ATOM 437 C LEU A 541 34.774 27.524 42.644 1.00 0.00 C ATOM 438 O LEU A 541 34.934 28.281 43.606 1.00 0.00 O ATOM 439 CB LEU A 541 33.884 28.595 40.538 1.00 0.00 C ATOM 440 CG LEU A 541 32.774 28.750 39.476 1.00 0.00 C ATOM 441 CD1 LEU A 541 33.276 29.660 38.356 1.00 0.00 C ATOM 442 CD2 LEU A 541 32.382 27.408 38.863 1.00 0.00 C ATOM 0 H LEU A 541 32.457 28.985 42.879 1.00 0.00 H new ATOM 0 HA LEU A 541 33.352 26.648 41.324 1.00 0.00 H new ATOM 0 HB2 LEU A 541 34.112 29.580 40.944 1.00 0.00 H new ATOM 0 HB3 LEU A 541 34.787 28.237 40.043 1.00 0.00 H new ATOM 0 HG LEU A 541 31.900 29.174 39.970 1.00 0.00 H new ATOM 0 HD11 LEU A 541 32.497 29.774 37.603 1.00 0.00 H new ATOM 0 HD12 LEU A 541 33.529 30.637 38.767 1.00 0.00 H new ATOM 0 HD13 LEU A 541 34.162 29.219 37.898 1.00 0.00 H new ATOM 0 HD21 LEU A 541 31.599 27.562 38.121 1.00 0.00 H new ATOM 0 HD22 LEU A 541 33.252 26.959 38.384 1.00 0.00 H new ATOM 0 HD23 LEU A 541 32.015 26.744 39.646 1.00 0.00 H new ATOM 454 N LYS A 542 35.682 26.620 42.283 1.00 0.00 N ATOM 455 CA LYS A 542 37.021 26.453 42.862 1.00 0.00 C ATOM 456 C LYS A 542 38.081 26.723 41.797 1.00 0.00 C ATOM 457 O LYS A 542 37.893 26.323 40.657 1.00 0.00 O ATOM 458 CB LYS A 542 37.069 25.034 43.459 1.00 0.00 C ATOM 459 CG LYS A 542 38.215 24.707 44.428 1.00 0.00 C ATOM 460 CD LYS A 542 39.589 24.627 43.762 1.00 0.00 C ATOM 461 CE LYS A 542 40.539 23.700 44.514 1.00 0.00 C ATOM 462 NZ LYS A 542 41.796 23.555 43.752 1.00 0.00 N ATOM 0 H LYS A 542 35.498 25.947 41.539 1.00 0.00 H new ATOM 0 HA LYS A 542 37.232 27.166 43.659 1.00 0.00 H new ATOM 0 HB2 LYS A 542 36.128 24.857 43.980 1.00 0.00 H new ATOM 0 HB3 LYS A 542 37.115 24.324 42.633 1.00 0.00 H new ATOM 0 HG2 LYS A 542 38.245 25.467 45.209 1.00 0.00 H new ATOM 0 HG3 LYS A 542 38.004 23.756 44.917 1.00 0.00 H new ATOM 0 HD2 LYS A 542 39.474 24.274 42.737 1.00 0.00 H new ATOM 0 HD3 LYS A 542 40.024 25.625 43.709 1.00 0.00 H new ATOM 0 HE2 LYS A 542 40.747 24.102 45.505 1.00 0.00 H new ATOM 0 HE3 LYS A 542 40.074 22.725 44.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 542 41.915 22.563 43.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 542 41.761 24.159 42.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 542 42.598 23.842 44.348 1.00 0.00 H new ATOM 476 N ALA A 543 39.188 27.388 42.136 1.00 0.00 N ATOM 477 CA ALA A 543 40.308 27.617 41.217 1.00 0.00 C ATOM 478 C ALA A 543 40.807 26.284 40.609 1.00 0.00 C ATOM 479 O ALA A 543 41.424 25.473 41.301 1.00 0.00 O ATOM 480 CB ALA A 543 41.419 28.341 41.989 1.00 0.00 C ATOM 0 H ALA A 543 39.334 27.786 43.063 1.00 0.00 H new ATOM 0 HA ALA A 543 39.987 28.237 40.380 1.00 0.00 H new ATOM 0 HB1 ALA A 543 42.264 28.523 41.325 1.00 0.00 H new ATOM 0 HB2 ALA A 543 41.041 29.292 42.364 1.00 0.00 H new ATOM 0 HB3 ALA A 543 41.742 27.723 42.827 1.00 0.00 H new ATOM 486 N GLY A 544 40.504 26.052 39.330 1.00 0.00 N ATOM 487 CA GLY A 544 40.752 24.794 38.607 1.00 0.00 C ATOM 488 C GLY A 544 39.484 24.049 38.158 1.00 0.00 C ATOM 489 O GLY A 544 39.588 23.082 37.398 1.00 0.00 O ATOM 0 H GLY A 544 40.062 26.760 38.743 1.00 0.00 H new ATOM 0 HA2 GLY A 544 41.360 25.010 37.729 1.00 0.00 H new ATOM 0 HA3 GLY A 544 41.338 24.133 39.246 1.00 0.00 H new ATOM 493 N ASP A 545 38.283 24.491 38.556 1.00 0.00 N ATOM 494 CA ASP A 545 37.017 23.922 38.092 1.00 0.00 C ATOM 495 C ASP A 545 36.761 24.129 36.609 1.00 0.00 C ATOM 496 O ASP A 545 36.606 25.266 36.164 1.00 0.00 O ATOM 497 CB ASP A 545 35.805 24.429 38.901 1.00 0.00 C ATOM 498 CG ASP A 545 35.428 23.590 40.112 1.00 0.00 C ATOM 499 OD1 ASP A 545 34.927 24.178 41.093 1.00 0.00 O ATOM 500 OD2 ASP A 545 35.499 22.337 40.033 1.00 0.00 O ATOM 0 H ASP A 545 38.166 25.261 39.215 1.00 0.00 H new ATOM 0 HA ASP A 545 37.129 22.851 38.261 1.00 0.00 H new ATOM 0 HB2 ASP A 545 36.013 25.445 39.236 1.00 0.00 H new ATOM 0 HB3 ASP A 545 34.943 24.483 38.236 1.00 0.00 H new ATOM 505 N VAL A 546 36.637 23.041 35.853 1.00 0.00 N ATOM 506 CA VAL A 546 35.961 23.106 34.558 1.00 0.00 C ATOM 507 C VAL A 546 34.458 23.311 34.755 1.00 0.00 C ATOM 508 O VAL A 546 33.847 22.648 35.600 1.00 0.00 O ATOM 509 CB VAL A 546 36.306 21.940 33.612 1.00 0.00 C ATOM 510 CG1 VAL A 546 35.966 22.300 32.166 1.00 0.00 C ATOM 511 CG2 VAL A 546 37.793 21.561 33.667 1.00 0.00 C ATOM 0 H VAL A 546 36.989 22.118 36.108 1.00 0.00 H new ATOM 0 HA VAL A 546 36.349 23.979 34.034 1.00 0.00 H new ATOM 0 HB VAL A 546 35.712 21.091 33.949 1.00 0.00 H new ATOM 0 HG11 VAL A 546 36.217 21.463 31.514 1.00 0.00 H new ATOM 0 HG12 VAL A 546 34.901 22.516 32.086 1.00 0.00 H new ATOM 0 HG13 VAL A 546 36.537 23.178 31.866 1.00 0.00 H new ATOM 0 HG21 VAL A 546 37.983 20.735 32.982 1.00 0.00 H new ATOM 0 HG22 VAL A 546 38.398 22.420 33.377 1.00 0.00 H new ATOM 0 HG23 VAL A 546 38.054 21.259 34.681 1.00 0.00 H new ATOM 521 N VAL A 547 33.861 24.227 33.995 1.00 0.00 N ATOM 522 CA VAL A 547 32.418 24.505 33.964 1.00 0.00 C ATOM 523 C VAL A 547 31.870 24.359 32.563 1.00 0.00 C ATOM 524 O VAL A 547 32.373 24.970 31.623 1.00 0.00 O ATOM 525 CB VAL A 547 31.978 25.840 34.611 1.00 0.00 C ATOM 526 CG1 VAL A 547 30.572 25.734 35.195 1.00 0.00 C ATOM 527 CG2 VAL A 547 32.929 26.335 35.702 1.00 0.00 C ATOM 0 H VAL A 547 34.387 24.823 33.356 1.00 0.00 H new ATOM 0 HA VAL A 547 31.976 23.744 34.607 1.00 0.00 H new ATOM 0 HB VAL A 547 31.996 26.568 33.800 1.00 0.00 H new ATOM 0 HG11 VAL A 547 30.291 26.687 35.642 1.00 0.00 H new ATOM 0 HG12 VAL A 547 29.867 25.483 34.403 1.00 0.00 H new ATOM 0 HG13 VAL A 547 30.553 24.956 35.958 1.00 0.00 H new ATOM 0 HG21 VAL A 547 32.557 27.275 36.110 1.00 0.00 H new ATOM 0 HG22 VAL A 547 32.988 25.592 36.498 1.00 0.00 H new ATOM 0 HG23 VAL A 547 33.921 26.491 35.277 1.00 0.00 H new ATOM 537 N LEU A 548 30.859 23.517 32.419 1.00 0.00 N ATOM 538 CA LEU A 548 30.186 23.248 31.165 1.00 0.00 C ATOM 539 C LEU A 548 29.124 24.338 30.946 1.00 0.00 C ATOM 540 O LEU A 548 28.053 24.284 31.555 1.00 0.00 O ATOM 541 CB LEU A 548 29.579 21.833 31.230 1.00 0.00 C ATOM 542 CG LEU A 548 30.469 20.684 31.745 1.00 0.00 C ATOM 543 CD1 LEU A 548 29.664 19.401 31.918 1.00 0.00 C ATOM 544 CD2 LEU A 548 31.633 20.410 30.810 1.00 0.00 C ATOM 0 H LEU A 548 30.474 22.986 33.200 1.00 0.00 H new ATOM 0 HA LEU A 548 30.872 23.274 30.318 1.00 0.00 H new ATOM 0 HB2 LEU A 548 28.694 21.879 31.864 1.00 0.00 H new ATOM 0 HB3 LEU A 548 29.240 21.569 30.228 1.00 0.00 H new ATOM 0 HG LEU A 548 30.860 21.004 32.711 1.00 0.00 H new ATOM 0 HD11 LEU A 548 30.317 18.608 32.282 1.00 0.00 H new ATOM 0 HD12 LEU A 548 28.862 19.569 32.637 1.00 0.00 H new ATOM 0 HD13 LEU A 548 29.237 19.107 30.959 1.00 0.00 H new ATOM 0 HD21 LEU A 548 32.236 19.594 31.209 1.00 0.00 H new ATOM 0 HD22 LEU A 548 31.253 20.133 29.827 1.00 0.00 H new ATOM 0 HD23 LEU A 548 32.248 21.306 30.722 1.00 0.00 H new ATOM 556 N VAL A 549 29.430 25.351 30.134 1.00 0.00 N ATOM 557 CA VAL A 549 28.463 26.403 29.744 1.00 0.00 C ATOM 558 C VAL A 549 27.237 25.875 28.975 1.00 0.00 C ATOM 559 O VAL A 549 27.367 25.163 27.973 1.00 0.00 O ATOM 560 CB VAL A 549 29.146 27.557 28.981 1.00 0.00 C ATOM 561 CG1 VAL A 549 28.275 28.809 28.901 1.00 0.00 C ATOM 562 CG2 VAL A 549 30.467 27.949 29.658 1.00 0.00 C ATOM 0 H VAL A 549 30.355 25.474 29.722 1.00 0.00 H new ATOM 0 HA VAL A 549 28.077 26.796 30.685 1.00 0.00 H new ATOM 0 HB VAL A 549 29.320 27.183 27.972 1.00 0.00 H new ATOM 0 HG11 VAL A 549 28.806 29.588 28.354 1.00 0.00 H new ATOM 0 HG12 VAL A 549 27.345 28.573 28.384 1.00 0.00 H new ATOM 0 HG13 VAL A 549 28.051 29.162 29.908 1.00 0.00 H new ATOM 0 HG21 VAL A 549 30.932 28.764 29.104 1.00 0.00 H new ATOM 0 HG22 VAL A 549 30.270 28.271 30.681 1.00 0.00 H new ATOM 0 HG23 VAL A 549 31.138 27.090 29.671 1.00 0.00 H new ATOM 572 N ILE A 550 26.037 26.260 29.421 1.00 0.00 N ATOM 573 CA ILE A 550 24.731 25.915 28.830 1.00 0.00 C ATOM 574 C ILE A 550 23.926 27.194 28.496 1.00 0.00 C ATOM 575 O ILE A 550 24.122 28.228 29.135 1.00 0.00 O ATOM 576 CB ILE A 550 23.922 24.978 29.765 1.00 0.00 C ATOM 577 CG1 ILE A 550 23.493 25.696 31.069 1.00 0.00 C ATOM 578 CG2 ILE A 550 24.688 23.663 30.012 1.00 0.00 C ATOM 579 CD1 ILE A 550 22.864 24.795 32.139 1.00 0.00 C ATOM 0 H ILE A 550 25.941 26.851 30.246 1.00 0.00 H new ATOM 0 HA ILE A 550 24.915 25.376 27.900 1.00 0.00 H new ATOM 0 HB ILE A 550 22.992 24.709 29.264 1.00 0.00 H new ATOM 0 HG12 ILE A 550 24.367 26.186 31.498 1.00 0.00 H new ATOM 0 HG13 ILE A 550 22.781 26.481 30.814 1.00 0.00 H new ATOM 0 HG21 ILE A 550 24.104 23.020 30.670 1.00 0.00 H new ATOM 0 HG22 ILE A 550 24.854 23.155 29.062 1.00 0.00 H new ATOM 0 HG23 ILE A 550 25.648 23.883 30.479 1.00 0.00 H new ATOM 0 HD11 ILE A 550 22.600 25.395 33.010 1.00 0.00 H new ATOM 0 HD12 ILE A 550 21.967 24.324 31.737 1.00 0.00 H new ATOM 0 HD13 ILE A 550 23.578 24.025 32.432 1.00 0.00 H new ATOM 591 N PRO A 551 23.009 27.143 27.513 1.00 0.00 N ATOM 592 CA PRO A 551 22.166 28.272 27.125 1.00 0.00 C ATOM 593 C PRO A 551 21.108 28.571 28.195 1.00 0.00 C ATOM 594 O PRO A 551 20.446 27.663 28.711 1.00 0.00 O ATOM 595 CB PRO A 551 21.542 27.864 25.785 1.00 0.00 C ATOM 596 CG PRO A 551 21.462 26.340 25.873 1.00 0.00 C ATOM 597 CD PRO A 551 22.706 25.987 26.686 1.00 0.00 C ATOM 0 HA PRO A 551 22.735 29.196 27.027 1.00 0.00 H new ATOM 0 HB2 PRO A 551 20.557 28.310 25.650 1.00 0.00 H new ATOM 0 HB3 PRO A 551 22.155 28.185 24.943 1.00 0.00 H new ATOM 0 HG2 PRO A 551 20.548 26.010 26.367 1.00 0.00 H new ATOM 0 HG3 PRO A 551 21.477 25.876 24.887 1.00 0.00 H new ATOM 0 HD2 PRO A 551 22.528 25.106 27.303 1.00 0.00 H new ATOM 0 HD3 PRO A 551 23.543 25.752 26.029 1.00 0.00 H new ATOM 605 N PHE A 552 20.925 29.852 28.519 1.00 0.00 N ATOM 606 CA PHE A 552 20.031 30.288 29.595 1.00 0.00 C ATOM 607 C PHE A 552 18.548 29.912 29.485 1.00 0.00 C ATOM 608 O PHE A 552 17.930 30.092 28.434 1.00 0.00 O ATOM 609 CB PHE A 552 20.155 31.785 29.873 1.00 0.00 C ATOM 610 CG PHE A 552 21.367 32.248 30.659 1.00 0.00 C ATOM 611 CD1 PHE A 552 21.205 32.746 31.965 1.00 0.00 C ATOM 612 CD2 PHE A 552 22.634 32.307 30.049 1.00 0.00 C ATOM 613 CE1 PHE A 552 22.283 33.361 32.622 1.00 0.00 C ATOM 614 CE2 PHE A 552 23.708 32.935 30.703 1.00 0.00 C ATOM 615 CZ PHE A 552 23.516 33.510 31.969 1.00 0.00 C ATOM 0 H PHE A 552 21.395 30.621 28.041 1.00 0.00 H new ATOM 0 HA PHE A 552 20.402 29.700 30.434 1.00 0.00 H new ATOM 0 HB2 PHE A 552 20.154 32.307 28.916 1.00 0.00 H new ATOM 0 HB3 PHE A 552 19.262 32.103 30.411 1.00 0.00 H new ATOM 0 HD1 PHE A 552 20.251 32.655 32.463 1.00 0.00 H new ATOM 0 HD2 PHE A 552 22.782 31.868 29.074 1.00 0.00 H new ATOM 0 HE1 PHE A 552 22.163 33.721 33.633 1.00 0.00 H new ATOM 0 HE2 PHE A 552 24.679 32.975 30.232 1.00 0.00 H new ATOM 0 HZ PHE A 552 24.314 34.065 32.439 1.00 0.00 H new ATOM 625 N GLN A 553 17.942 29.499 30.602 1.00 0.00 N ATOM 626 CA GLN A 553 16.523 29.125 30.653 1.00 0.00 C ATOM 627 C GLN A 553 15.545 30.308 30.487 1.00 0.00 C ATOM 628 O GLN A 553 14.417 30.106 30.029 1.00 0.00 O ATOM 629 CB GLN A 553 16.268 28.335 31.946 1.00 0.00 C ATOM 630 CG GLN A 553 16.399 29.119 33.266 1.00 0.00 C ATOM 631 CD GLN A 553 16.271 28.229 34.508 1.00 0.00 C ATOM 632 OE1 GLN A 553 15.964 27.042 34.451 1.00 0.00 O ATOM 633 NE2 GLN A 553 16.508 28.769 35.678 1.00 0.00 N ATOM 0 H GLN A 553 18.421 29.414 31.498 1.00 0.00 H new ATOM 0 HA GLN A 553 16.316 28.497 29.786 1.00 0.00 H new ATOM 0 HB2 GLN A 553 15.264 27.915 31.897 1.00 0.00 H new ATOM 0 HB3 GLN A 553 16.963 27.496 31.977 1.00 0.00 H new ATOM 0 HG2 GLN A 553 17.364 29.625 33.287 1.00 0.00 H new ATOM 0 HG3 GLN A 553 15.632 29.893 33.300 1.00 0.00 H new ATOM 0 HE21 GLN A 553 16.764 29.754 35.743 1.00 0.00 H new ATOM 0 HE22 GLN A 553 16.436 28.204 36.524 1.00 0.00 H new ATOM 642 N ASN A 554 15.969 31.538 30.800 1.00 0.00 N ATOM 643 CA ASN A 554 15.189 32.776 30.678 1.00 0.00 C ATOM 644 C ASN A 554 16.073 33.976 30.279 1.00 0.00 C ATOM 645 O ASN A 554 17.221 34.044 30.719 1.00 0.00 O ATOM 646 CB ASN A 554 14.493 33.085 32.016 1.00 0.00 C ATOM 647 CG ASN A 554 13.130 32.443 32.200 1.00 0.00 C ATOM 648 OD1 ASN A 554 12.280 32.453 31.318 1.00 0.00 O ATOM 649 ND2 ASN A 554 12.854 31.947 33.378 1.00 0.00 N ATOM 0 H ASN A 554 16.908 31.705 31.162 1.00 0.00 H new ATOM 0 HA ASN A 554 14.450 32.623 29.892 1.00 0.00 H new ATOM 0 HB2 ASN A 554 15.143 32.760 32.829 1.00 0.00 H new ATOM 0 HB3 ASN A 554 14.383 34.165 32.109 1.00 0.00 H new ATOM 0 HD21 ASN A 554 11.927 31.566 33.566 1.00 0.00 H new ATOM 0 HD22 ASN A 554 13.566 31.941 34.109 1.00 0.00 H new ATOM 656 N PRO A 555 15.533 34.967 29.544 1.00 0.00 N ATOM 657 CA PRO A 555 16.271 36.163 29.126 1.00 0.00 C ATOM 658 C PRO A 555 16.635 37.079 30.308 1.00 0.00 C ATOM 659 O PRO A 555 17.743 37.601 30.371 1.00 0.00 O ATOM 660 CB PRO A 555 15.344 36.861 28.122 1.00 0.00 C ATOM 661 CG PRO A 555 13.940 36.444 28.567 1.00 0.00 C ATOM 662 CD PRO A 555 14.151 35.025 29.094 1.00 0.00 C ATOM 0 HA PRO A 555 17.234 35.904 28.685 1.00 0.00 H new ATOM 0 HB2 PRO A 555 15.467 37.944 28.150 1.00 0.00 H new ATOM 0 HB3 PRO A 555 15.550 36.543 27.100 1.00 0.00 H new ATOM 0 HG2 PRO A 555 13.548 37.107 29.339 1.00 0.00 H new ATOM 0 HG3 PRO A 555 13.232 36.465 27.739 1.00 0.00 H new ATOM 0 HD2 PRO A 555 13.465 34.806 29.912 1.00 0.00 H new ATOM 0 HD3 PRO A 555 13.963 34.287 28.314 1.00 0.00 H new ATOM 670 N GLU A 556 15.735 37.244 31.281 1.00 0.00 N ATOM 671 CA GLU A 556 15.962 38.032 32.508 1.00 0.00 C ATOM 672 C GLU A 556 16.958 37.384 33.488 1.00 0.00 C ATOM 673 O GLU A 556 17.529 38.064 34.344 1.00 0.00 O ATOM 674 CB GLU A 556 14.616 38.321 33.201 1.00 0.00 C ATOM 675 CG GLU A 556 13.756 37.077 33.500 1.00 0.00 C ATOM 676 CD GLU A 556 12.380 37.414 34.100 1.00 0.00 C ATOM 677 OE1 GLU A 556 11.664 36.488 34.539 1.00 0.00 O ATOM 678 OE2 GLU A 556 11.952 38.591 34.137 1.00 0.00 O ATOM 0 H GLU A 556 14.805 36.826 31.242 1.00 0.00 H new ATOM 0 HA GLU A 556 16.426 38.968 32.197 1.00 0.00 H new ATOM 0 HB2 GLU A 556 14.812 38.842 34.138 1.00 0.00 H new ATOM 0 HB3 GLU A 556 14.040 39.000 32.573 1.00 0.00 H new ATOM 0 HG2 GLU A 556 13.614 36.513 32.578 1.00 0.00 H new ATOM 0 HG3 GLU A 556 14.296 36.429 34.190 1.00 0.00 H new ATOM 685 N GLU A 557 17.193 36.076 33.364 1.00 0.00 N ATOM 686 CA GLU A 557 18.163 35.353 34.192 1.00 0.00 C ATOM 687 C GLU A 557 19.621 35.559 33.748 1.00 0.00 C ATOM 688 O GLU A 557 20.530 35.425 34.562 1.00 0.00 O ATOM 689 CB GLU A 557 17.782 33.870 34.274 1.00 0.00 C ATOM 690 CG GLU A 557 16.484 33.709 35.086 1.00 0.00 C ATOM 691 CD GLU A 557 16.118 32.254 35.401 1.00 0.00 C ATOM 692 OE1 GLU A 557 14.929 31.889 35.244 1.00 0.00 O ATOM 693 OE2 GLU A 557 16.975 31.487 35.885 1.00 0.00 O ATOM 0 H GLU A 557 16.714 35.485 32.684 1.00 0.00 H new ATOM 0 HA GLU A 557 18.116 35.779 35.194 1.00 0.00 H new ATOM 0 HB2 GLU A 557 17.647 33.464 33.272 1.00 0.00 H new ATOM 0 HB3 GLU A 557 18.587 33.304 34.742 1.00 0.00 H new ATOM 0 HG2 GLU A 557 16.584 34.258 36.022 1.00 0.00 H new ATOM 0 HG3 GLU A 557 15.664 34.167 34.534 1.00 0.00 H new ATOM 700 N GLN A 558 19.846 35.948 32.489 1.00 0.00 N ATOM 701 CA GLN A 558 21.136 36.473 32.020 1.00 0.00 C ATOM 702 C GLN A 558 21.492 37.803 32.698 1.00 0.00 C ATOM 703 O GLN A 558 20.633 38.635 33.004 1.00 0.00 O ATOM 704 CB GLN A 558 21.147 36.551 30.478 1.00 0.00 C ATOM 705 CG GLN A 558 22.394 37.187 29.830 1.00 0.00 C ATOM 706 CD GLN A 558 23.618 36.285 29.740 1.00 0.00 C ATOM 707 OE1 GLN A 558 23.653 35.336 28.971 1.00 0.00 O ATOM 708 NE2 GLN A 558 24.665 36.544 30.498 1.00 0.00 N ATOM 0 H GLN A 558 19.134 35.908 31.760 1.00 0.00 H new ATOM 0 HA GLN A 558 21.925 35.781 32.314 1.00 0.00 H new ATOM 0 HB2 GLN A 558 21.036 35.541 30.084 1.00 0.00 H new ATOM 0 HB3 GLN A 558 20.271 37.116 30.159 1.00 0.00 H new ATOM 0 HG2 GLN A 558 22.132 37.516 28.824 1.00 0.00 H new ATOM 0 HG3 GLN A 558 22.662 38.078 30.397 1.00 0.00 H new ATOM 0 HE21 GLN A 558 24.645 37.334 31.143 1.00 0.00 H new ATOM 0 HE22 GLN A 558 25.495 35.954 30.440 1.00 0.00 H new ATOM 717 N ASP A 559 22.792 38.000 32.908 1.00 0.00 N ATOM 718 CA ASP A 559 23.413 39.214 33.431 1.00 0.00 C ATOM 719 C ASP A 559 24.752 39.584 32.767 1.00 0.00 C ATOM 720 O ASP A 559 25.440 38.704 32.246 1.00 0.00 O ATOM 721 CB ASP A 559 23.391 39.182 34.970 1.00 0.00 C ATOM 722 CG ASP A 559 22.071 39.738 35.503 1.00 0.00 C ATOM 723 OD1 ASP A 559 21.718 40.885 35.164 1.00 0.00 O ATOM 724 OD2 ASP A 559 21.327 39.063 36.240 1.00 0.00 O ATOM 0 H ASP A 559 23.479 37.274 32.706 1.00 0.00 H new ATOM 0 HA ASP A 559 22.809 40.072 33.136 1.00 0.00 H new ATOM 0 HB2 ASP A 559 23.528 38.159 35.319 1.00 0.00 H new ATOM 0 HB3 ASP A 559 24.223 39.767 35.363 1.00 0.00 H new ATOM 729 N GLU A 560 25.110 40.870 32.697 1.00 0.00 N ATOM 730 CA GLU A 560 26.301 41.319 31.958 1.00 0.00 C ATOM 731 C GLU A 560 27.588 40.990 32.732 1.00 0.00 C ATOM 732 O GLU A 560 27.705 41.321 33.915 1.00 0.00 O ATOM 733 CB GLU A 560 26.194 42.817 31.606 1.00 0.00 C ATOM 734 CG GLU A 560 27.397 43.378 30.817 1.00 0.00 C ATOM 735 CD GLU A 560 27.588 42.781 29.412 1.00 0.00 C ATOM 736 OE1 GLU A 560 28.629 43.063 28.764 1.00 0.00 O ATOM 737 OE2 GLU A 560 26.725 42.018 28.921 1.00 0.00 O ATOM 0 H GLU A 560 24.590 41.625 33.145 1.00 0.00 H new ATOM 0 HA GLU A 560 26.351 40.772 31.017 1.00 0.00 H new ATOM 0 HB2 GLU A 560 25.287 42.976 31.022 1.00 0.00 H new ATOM 0 HB3 GLU A 560 26.083 43.387 32.529 1.00 0.00 H new ATOM 0 HG2 GLU A 560 27.280 44.458 30.724 1.00 0.00 H new ATOM 0 HG3 GLU A 560 28.304 43.205 31.395 1.00 0.00 H new ATOM 744 N GLY A 561 28.539 40.318 32.072 1.00 0.00 N ATOM 745 CA GLY A 561 29.724 39.716 32.703 1.00 0.00 C ATOM 746 C GLY A 561 29.471 38.337 33.336 1.00 0.00 C ATOM 747 O GLY A 561 30.414 37.661 33.744 1.00 0.00 O ATOM 0 H GLY A 561 28.507 40.173 31.063 1.00 0.00 H new ATOM 0 HA2 GLY A 561 30.511 39.621 31.955 1.00 0.00 H new ATOM 0 HA3 GLY A 561 30.096 40.393 33.472 1.00 0.00 H new ATOM 751 N TRP A 562 28.216 37.887 33.393 1.00 0.00 N ATOM 752 CA TRP A 562 27.816 36.589 33.943 1.00 0.00 C ATOM 753 C TRP A 562 27.606 35.518 32.858 1.00 0.00 C ATOM 754 O TRP A 562 27.316 35.834 31.699 1.00 0.00 O ATOM 755 CB TRP A 562 26.594 36.783 34.852 1.00 0.00 C ATOM 756 CG TRP A 562 26.853 37.512 36.137 1.00 0.00 C ATOM 757 CD1 TRP A 562 27.043 38.846 36.269 1.00 0.00 C ATOM 758 CD2 TRP A 562 27.198 36.950 37.439 1.00 0.00 C ATOM 759 NE1 TRP A 562 27.376 39.143 37.574 1.00 0.00 N ATOM 760 CE2 TRP A 562 27.522 38.009 38.332 1.00 0.00 C ATOM 761 CE3 TRP A 562 27.246 35.646 37.962 1.00 0.00 C ATOM 762 CZ2 TRP A 562 27.890 37.790 39.666 1.00 0.00 C ATOM 763 CZ3 TRP A 562 27.620 35.406 39.296 1.00 0.00 C ATOM 764 CH2 TRP A 562 27.954 36.474 40.146 1.00 0.00 C ATOM 0 H TRP A 562 27.426 38.432 33.048 1.00 0.00 H new ATOM 0 HA TRP A 562 28.633 36.197 34.548 1.00 0.00 H new ATOM 0 HB2 TRP A 562 25.831 37.326 34.294 1.00 0.00 H new ATOM 0 HB3 TRP A 562 26.180 35.803 35.088 1.00 0.00 H new ATOM 0 HD1 TRP A 562 26.948 39.569 35.472 1.00 0.00 H new ATOM 0 HE1 TRP A 562 27.499 40.090 37.932 1.00 0.00 H new ATOM 0 HE3 TRP A 562 26.990 34.811 37.326 1.00 0.00 H new ATOM 0 HZ2 TRP A 562 28.121 38.622 40.315 1.00 0.00 H new ATOM 0 HZ3 TRP A 562 27.651 34.393 39.670 1.00 0.00 H new ATOM 0 HH2 TRP A 562 28.259 36.282 41.164 1.00 0.00 H new ATOM 775 N LEU A 563 27.736 34.242 33.223 1.00 0.00 N ATOM 776 CA LEU A 563 27.502 33.083 32.350 1.00 0.00 C ATOM 777 C LEU A 563 26.865 31.934 33.142 1.00 0.00 C ATOM 778 O LEU A 563 27.084 31.838 34.345 1.00 0.00 O ATOM 779 CB LEU A 563 28.836 32.630 31.717 1.00 0.00 C ATOM 780 CG LEU A 563 29.105 33.121 30.282 1.00 0.00 C ATOM 781 CD1 LEU A 563 30.364 32.422 29.766 1.00 0.00 C ATOM 782 CD2 LEU A 563 27.980 32.789 29.294 1.00 0.00 C ATOM 0 H LEU A 563 28.017 33.974 34.166 1.00 0.00 H new ATOM 0 HA LEU A 563 26.813 33.371 31.556 1.00 0.00 H new ATOM 0 HB2 LEU A 563 29.652 32.970 32.355 1.00 0.00 H new ATOM 0 HB3 LEU A 563 28.864 31.540 31.718 1.00 0.00 H new ATOM 0 HG LEU A 563 29.198 34.206 30.337 1.00 0.00 H new ATOM 0 HD11 LEU A 563 30.574 32.755 28.750 1.00 0.00 H new ATOM 0 HD12 LEU A 563 31.207 32.669 30.411 1.00 0.00 H new ATOM 0 HD13 LEU A 563 30.209 31.343 29.770 1.00 0.00 H new ATOM 0 HD21 LEU A 563 28.241 33.166 28.305 1.00 0.00 H new ATOM 0 HD22 LEU A 563 27.845 31.708 29.246 1.00 0.00 H new ATOM 0 HD23 LEU A 563 27.053 33.256 29.627 1.00 0.00 H new ATOM 794 N MET A 564 26.091 31.064 32.480 1.00 0.00 N ATOM 795 CA MET A 564 25.408 29.920 33.105 1.00 0.00 C ATOM 796 C MET A 564 26.008 28.578 32.676 1.00 0.00 C ATOM 797 O MET A 564 26.350 28.371 31.514 1.00 0.00 O ATOM 798 CB MET A 564 23.895 29.991 32.833 1.00 0.00 C ATOM 799 CG MET A 564 23.068 28.899 33.533 1.00 0.00 C ATOM 800 SD MET A 564 21.265 29.114 33.417 1.00 0.00 S ATOM 801 CE MET A 564 21.016 30.443 34.629 1.00 0.00 C ATOM 0 H MET A 564 25.918 31.135 31.477 1.00 0.00 H new ATOM 0 HA MET A 564 25.563 29.985 34.182 1.00 0.00 H new ATOM 0 HB2 MET A 564 23.527 30.967 33.150 1.00 0.00 H new ATOM 0 HB3 MET A 564 23.728 29.922 31.758 1.00 0.00 H new ATOM 0 HG2 MET A 564 23.333 27.932 33.105 1.00 0.00 H new ATOM 0 HG3 MET A 564 23.349 28.869 34.586 1.00 0.00 H new ATOM 0 HE1 MET A 564 20.006 30.841 34.530 1.00 0.00 H new ATOM 0 HE2 MET A 564 21.153 30.048 35.636 1.00 0.00 H new ATOM 0 HE3 MET A 564 21.739 31.239 34.450 1.00 0.00 H new ATOM 811 N GLY A 565 26.122 27.643 33.615 1.00 0.00 N ATOM 812 CA GLY A 565 26.685 26.317 33.380 1.00 0.00 C ATOM 813 C GLY A 565 26.538 25.381 34.574 1.00 0.00 C ATOM 814 O GLY A 565 25.883 25.703 35.567 1.00 0.00 O ATOM 0 H GLY A 565 25.820 27.788 34.578 1.00 0.00 H new ATOM 0 HA2 GLY A 565 26.196 25.870 32.514 1.00 0.00 H new ATOM 0 HA3 GLY A 565 27.742 26.417 33.133 1.00 0.00 H new ATOM 818 N VAL A 566 27.187 24.223 34.469 1.00 0.00 N ATOM 819 CA VAL A 566 27.328 23.232 35.545 1.00 0.00 C ATOM 820 C VAL A 566 28.781 22.784 35.672 1.00 0.00 C ATOM 821 O VAL A 566 29.484 22.660 34.671 1.00 0.00 O ATOM 822 CB VAL A 566 26.358 22.051 35.336 1.00 0.00 C ATOM 823 CG1 VAL A 566 26.700 21.223 34.095 1.00 0.00 C ATOM 824 CG2 VAL A 566 26.347 21.103 36.537 1.00 0.00 C ATOM 0 H VAL A 566 27.646 23.935 33.605 1.00 0.00 H new ATOM 0 HA VAL A 566 27.053 23.697 36.492 1.00 0.00 H new ATOM 0 HB VAL A 566 25.377 22.509 35.209 1.00 0.00 H new ATOM 0 HG11 VAL A 566 25.986 20.405 33.995 1.00 0.00 H new ATOM 0 HG12 VAL A 566 26.651 21.857 33.210 1.00 0.00 H new ATOM 0 HG13 VAL A 566 27.706 20.816 34.195 1.00 0.00 H new ATOM 0 HG21 VAL A 566 25.651 20.285 36.349 1.00 0.00 H new ATOM 0 HG22 VAL A 566 27.348 20.699 36.691 1.00 0.00 H new ATOM 0 HG23 VAL A 566 26.034 21.648 37.428 1.00 0.00 H new ATOM 834 N LYS A 567 29.257 22.544 36.895 1.00 0.00 N ATOM 835 CA LYS A 567 30.602 22.009 37.133 1.00 0.00 C ATOM 836 C LYS A 567 30.808 20.671 36.434 1.00 0.00 C ATOM 837 O LYS A 567 29.987 19.766 36.575 1.00 0.00 O ATOM 838 CB LYS A 567 30.873 21.906 38.643 1.00 0.00 C ATOM 839 CG LYS A 567 31.457 23.241 39.140 1.00 0.00 C ATOM 840 CD LYS A 567 31.887 23.201 40.607 1.00 0.00 C ATOM 841 CE LYS A 567 30.675 23.128 41.529 1.00 0.00 C ATOM 842 NZ LYS A 567 31.082 23.050 42.950 1.00 0.00 N ATOM 0 H LYS A 567 28.724 22.714 37.748 1.00 0.00 H new ATOM 0 HA LYS A 567 31.325 22.702 36.702 1.00 0.00 H new ATOM 0 HB2 LYS A 567 29.950 21.677 39.176 1.00 0.00 H new ATOM 0 HB3 LYS A 567 31.569 21.092 38.846 1.00 0.00 H new ATOM 0 HG2 LYS A 567 32.316 23.507 38.523 1.00 0.00 H new ATOM 0 HG3 LYS A 567 30.714 24.027 39.007 1.00 0.00 H new ATOM 0 HD2 LYS A 567 32.531 22.338 40.778 1.00 0.00 H new ATOM 0 HD3 LYS A 567 32.474 24.089 40.842 1.00 0.00 H new ATOM 0 HE2 LYS A 567 30.046 24.005 41.377 1.00 0.00 H new ATOM 0 HE3 LYS A 567 30.073 22.256 41.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 567 30.235 23.002 43.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 567 31.662 22.199 43.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 567 31.636 23.894 43.199 1.00 0.00 H new ATOM 856 N GLU A 568 31.918 20.522 35.712 1.00 0.00 N ATOM 857 CA GLU A 568 32.243 19.252 35.065 1.00 0.00 C ATOM 858 C GLU A 568 32.434 18.149 36.111 1.00 0.00 C ATOM 859 O GLU A 568 31.881 17.074 35.927 1.00 0.00 O ATOM 860 CB GLU A 568 33.470 19.380 34.148 1.00 0.00 C ATOM 861 CG GLU A 568 33.718 18.082 33.357 1.00 0.00 C ATOM 862 CD GLU A 568 34.911 18.163 32.393 1.00 0.00 C ATOM 863 OE1 GLU A 568 34.748 17.817 31.201 1.00 0.00 O ATOM 864 OE2 GLU A 568 36.036 18.534 32.810 1.00 0.00 O ATOM 0 H GLU A 568 32.604 21.261 35.561 1.00 0.00 H new ATOM 0 HA GLU A 568 31.402 18.973 34.430 1.00 0.00 H new ATOM 0 HB2 GLU A 568 33.323 20.208 33.455 1.00 0.00 H new ATOM 0 HB3 GLU A 568 34.350 19.617 34.746 1.00 0.00 H new ATOM 0 HG2 GLU A 568 33.885 17.266 34.060 1.00 0.00 H new ATOM 0 HG3 GLU A 568 32.820 17.836 32.790 1.00 0.00 H new ATOM 871 N SER A 569 33.086 18.423 37.249 1.00 0.00 N ATOM 872 CA SER A 569 33.261 17.446 38.336 1.00 0.00 C ATOM 873 C SER A 569 31.923 16.934 38.878 1.00 0.00 C ATOM 874 O SER A 569 31.796 15.776 39.283 1.00 0.00 O ATOM 875 CB SER A 569 34.066 18.115 39.457 1.00 0.00 C ATOM 876 OG SER A 569 34.109 17.323 40.631 1.00 0.00 O ATOM 0 H SER A 569 33.509 19.331 37.444 1.00 0.00 H new ATOM 0 HA SER A 569 33.791 16.578 37.943 1.00 0.00 H new ATOM 0 HB2 SER A 569 35.082 18.303 39.110 1.00 0.00 H new ATOM 0 HB3 SER A 569 33.625 19.084 39.690 1.00 0.00 H new ATOM 0 HG SER A 569 34.632 17.785 41.319 1.00 0.00 H new ATOM 882 N ASP A 570 30.907 17.799 38.855 1.00 0.00 N ATOM 883 CA ASP A 570 29.552 17.480 39.267 1.00 0.00 C ATOM 884 C ASP A 570 28.743 16.660 38.254 1.00 0.00 C ATOM 885 O ASP A 570 28.125 15.647 38.595 1.00 0.00 O ATOM 886 CB ASP A 570 28.833 18.752 39.730 1.00 0.00 C ATOM 887 CG ASP A 570 29.252 19.200 41.138 1.00 0.00 C ATOM 888 OD1 ASP A 570 28.372 19.346 42.021 1.00 0.00 O ATOM 889 OD2 ASP A 570 30.464 19.377 41.397 1.00 0.00 O ATOM 0 H ASP A 570 31.014 18.763 38.540 1.00 0.00 H new ATOM 0 HA ASP A 570 29.635 16.800 40.115 1.00 0.00 H new ATOM 0 HB2 ASP A 570 29.038 19.556 39.023 1.00 0.00 H new ATOM 0 HB3 ASP A 570 27.757 18.580 39.715 1.00 0.00 H new ATOM 894 N TRP A 571 28.812 17.070 36.986 1.00 0.00 N ATOM 895 CA TRP A 571 28.181 16.393 35.853 1.00 0.00 C ATOM 896 C TRP A 571 28.802 15.019 35.554 1.00 0.00 C ATOM 897 O TRP A 571 28.080 14.053 35.319 1.00 0.00 O ATOM 898 CB TRP A 571 28.242 17.344 34.650 1.00 0.00 C ATOM 899 CG TRP A 571 27.669 16.823 33.370 1.00 0.00 C ATOM 900 CD1 TRP A 571 28.344 16.152 32.406 1.00 0.00 C ATOM 901 CD2 TRP A 571 26.260 16.682 33.022 1.00 0.00 C ATOM 902 NE1 TRP A 571 27.469 15.710 31.437 1.00 0.00 N ATOM 903 CE2 TRP A 571 26.163 15.987 31.780 1.00 0.00 C ATOM 904 CE3 TRP A 571 25.052 17.070 33.641 1.00 0.00 C ATOM 905 CZ2 TRP A 571 24.931 15.706 31.182 1.00 0.00 C ATOM 906 CZ3 TRP A 571 23.807 16.792 33.046 1.00 0.00 C ATOM 907 CH2 TRP A 571 23.743 16.106 31.820 1.00 0.00 C ATOM 0 H TRP A 571 29.324 17.908 36.712 1.00 0.00 H new ATOM 0 HA TRP A 571 27.142 16.169 36.095 1.00 0.00 H new ATOM 0 HB2 TRP A 571 27.717 18.263 34.912 1.00 0.00 H new ATOM 0 HB3 TRP A 571 29.284 17.611 34.476 1.00 0.00 H new ATOM 0 HD1 TRP A 571 29.411 15.987 32.398 1.00 0.00 H new ATOM 0 HE1 TRP A 571 27.751 15.239 30.577 1.00 0.00 H new ATOM 0 HE3 TRP A 571 25.084 17.589 34.588 1.00 0.00 H new ATOM 0 HZ2 TRP A 571 24.892 15.185 30.237 1.00 0.00 H new ATOM 0 HZ3 TRP A 571 22.896 17.107 33.533 1.00 0.00 H new ATOM 0 HH2 TRP A 571 22.786 15.887 31.370 1.00 0.00 H new ATOM 918 N ASN A 572 30.129 14.888 35.662 1.00 0.00 N ATOM 919 CA ASN A 572 30.866 13.628 35.492 1.00 0.00 C ATOM 920 C ASN A 572 30.479 12.602 36.583 1.00 0.00 C ATOM 921 O ASN A 572 30.481 11.393 36.340 1.00 0.00 O ATOM 922 CB ASN A 572 32.376 13.969 35.499 1.00 0.00 C ATOM 923 CG ASN A 572 33.212 13.131 34.551 1.00 0.00 C ATOM 924 OD1 ASN A 572 32.966 11.962 34.305 1.00 0.00 O ATOM 925 ND2 ASN A 572 34.224 13.719 33.962 1.00 0.00 N ATOM 0 H ASN A 572 30.738 15.677 35.876 1.00 0.00 H new ATOM 0 HA ASN A 572 30.609 13.153 34.545 1.00 0.00 H new ATOM 0 HB2 ASN A 572 32.500 15.021 35.240 1.00 0.00 H new ATOM 0 HB3 ASN A 572 32.760 13.842 36.511 1.00 0.00 H new ATOM 0 HD21 ASN A 572 34.802 13.199 33.301 1.00 0.00 H new ATOM 0 HD22 ASN A 572 34.434 14.696 34.164 1.00 0.00 H new ATOM 932 N GLN A 573 30.080 13.080 37.768 1.00 0.00 N ATOM 933 CA GLN A 573 29.518 12.279 38.864 1.00 0.00 C ATOM 934 C GLN A 573 27.978 12.169 38.856 1.00 0.00 C ATOM 935 O GLN A 573 27.396 11.635 39.798 1.00 0.00 O ATOM 936 CB GLN A 573 30.065 12.802 40.202 1.00 0.00 C ATOM 937 CG GLN A 573 31.558 12.461 40.343 1.00 0.00 C ATOM 938 CD GLN A 573 32.168 12.957 41.646 1.00 0.00 C ATOM 939 OE1 GLN A 573 32.401 12.206 42.584 1.00 0.00 O ATOM 940 NE2 GLN A 573 32.299 14.248 41.825 1.00 0.00 N ATOM 0 H GLN A 573 30.142 14.072 37.999 1.00 0.00 H new ATOM 0 HA GLN A 573 29.845 11.250 38.713 1.00 0.00 H new ATOM 0 HB2 GLN A 573 29.925 13.881 40.262 1.00 0.00 H new ATOM 0 HB3 GLN A 573 29.506 12.362 41.027 1.00 0.00 H new ATOM 0 HG2 GLN A 573 31.684 11.380 40.279 1.00 0.00 H new ATOM 0 HG3 GLN A 573 32.104 12.896 39.506 1.00 0.00 H new ATOM 0 HE21 GLN A 573 32.110 14.891 41.056 1.00 0.00 H new ATOM 0 HE22 GLN A 573 32.590 14.610 42.733 1.00 0.00 H new ATOM 949 N HIS A 574 27.307 12.663 37.812 1.00 0.00 N ATOM 950 CA HIS A 574 25.851 12.588 37.592 1.00 0.00 C ATOM 951 C HIS A 574 25.000 13.185 38.735 1.00 0.00 C ATOM 952 O HIS A 574 23.915 12.689 39.068 1.00 0.00 O ATOM 953 CB HIS A 574 25.419 11.170 37.164 1.00 0.00 C ATOM 954 CG HIS A 574 25.998 10.713 35.847 1.00 0.00 C ATOM 955 ND1 HIS A 574 25.848 11.346 34.634 1.00 0.00 N ATOM 956 CD2 HIS A 574 26.590 9.503 35.592 1.00 0.00 C ATOM 957 CE1 HIS A 574 26.372 10.559 33.684 1.00 0.00 C ATOM 958 NE2 HIS A 574 26.827 9.406 34.212 1.00 0.00 N ATOM 0 H HIS A 574 27.785 13.152 37.055 1.00 0.00 H new ATOM 0 HA HIS A 574 25.636 13.249 36.753 1.00 0.00 H new ATOM 0 HB2 HIS A 574 25.713 10.464 37.941 1.00 0.00 H new ATOM 0 HB3 HIS A 574 24.331 11.139 37.099 1.00 0.00 H new ATOM 0 HD2 HIS A 574 26.833 8.751 36.329 1.00 0.00 H new ATOM 0 HE1 HIS A 574 26.423 10.815 32.636 1.00 0.00 H new ATOM 0 HE2 HIS A 574 27.254 8.626 33.713 1.00 0.00 H new ATOM 966 N LYS A 575 25.499 14.252 39.367 1.00 0.00 N ATOM 967 CA LYS A 575 24.781 15.021 40.399 1.00 0.00 C ATOM 968 C LYS A 575 23.673 15.890 39.788 1.00 0.00 C ATOM 969 O LYS A 575 23.722 16.206 38.600 1.00 0.00 O ATOM 970 CB LYS A 575 25.801 15.835 41.206 1.00 0.00 C ATOM 971 CG LYS A 575 26.727 14.922 42.035 1.00 0.00 C ATOM 972 CD LYS A 575 28.051 15.624 42.323 1.00 0.00 C ATOM 973 CE LYS A 575 28.890 14.846 43.335 1.00 0.00 C ATOM 974 NZ LYS A 575 30.019 15.659 43.842 1.00 0.00 N ATOM 0 H LYS A 575 26.432 14.616 39.174 1.00 0.00 H new ATOM 0 HA LYS A 575 24.270 14.339 41.078 1.00 0.00 H new ATOM 0 HB2 LYS A 575 26.400 16.443 40.528 1.00 0.00 H new ATOM 0 HB3 LYS A 575 25.276 16.521 41.870 1.00 0.00 H new ATOM 0 HG2 LYS A 575 26.239 14.654 42.972 1.00 0.00 H new ATOM 0 HG3 LYS A 575 26.911 13.993 41.495 1.00 0.00 H new ATOM 0 HD2 LYS A 575 28.612 15.739 41.396 1.00 0.00 H new ATOM 0 HD3 LYS A 575 27.857 16.627 42.704 1.00 0.00 H new ATOM 0 HE2 LYS A 575 28.261 14.535 44.169 1.00 0.00 H new ATOM 0 HE3 LYS A 575 29.274 13.938 42.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 575 30.568 15.101 44.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 575 30.632 15.935 43.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 575 29.650 16.513 44.307 1.00 0.00 H new ATOM 988 N GLU A 576 22.653 16.242 40.569 1.00 0.00 N ATOM 989 CA GLU A 576 21.426 16.895 40.081 1.00 0.00 C ATOM 990 C GLU A 576 21.639 18.222 39.323 1.00 0.00 C ATOM 991 O GLU A 576 21.828 19.284 39.922 1.00 0.00 O ATOM 992 CB GLU A 576 20.375 17.034 41.197 1.00 0.00 C ATOM 993 CG GLU A 576 20.880 17.609 42.530 1.00 0.00 C ATOM 994 CD GLU A 576 21.357 16.551 43.533 1.00 0.00 C ATOM 995 OE1 GLU A 576 21.373 16.831 44.756 1.00 0.00 O ATOM 996 OE2 GLU A 576 21.692 15.410 43.143 1.00 0.00 O ATOM 0 H GLU A 576 22.650 16.081 41.576 1.00 0.00 H new ATOM 0 HA GLU A 576 21.039 16.214 39.323 1.00 0.00 H new ATOM 0 HB2 GLU A 576 19.568 17.670 40.832 1.00 0.00 H new ATOM 0 HB3 GLU A 576 19.944 16.051 41.388 1.00 0.00 H new ATOM 0 HG2 GLU A 576 21.701 18.297 42.328 1.00 0.00 H new ATOM 0 HG3 GLU A 576 20.080 18.192 42.987 1.00 0.00 H new ATOM 1003 N LEU A 577 21.543 18.168 37.987 1.00 0.00 N ATOM 1004 CA LEU A 577 21.778 19.297 37.077 1.00 0.00 C ATOM 1005 C LEU A 577 20.943 20.531 37.456 1.00 0.00 C ATOM 1006 O LEU A 577 21.489 21.626 37.547 1.00 0.00 O ATOM 1007 CB LEU A 577 21.503 18.822 35.631 1.00 0.00 C ATOM 1008 CG LEU A 577 21.559 19.918 34.547 1.00 0.00 C ATOM 1009 CD1 LEU A 577 22.973 20.460 34.344 1.00 0.00 C ATOM 1010 CD2 LEU A 577 21.016 19.435 33.201 1.00 0.00 C ATOM 0 H LEU A 577 21.292 17.311 37.495 1.00 0.00 H new ATOM 0 HA LEU A 577 22.816 19.619 37.158 1.00 0.00 H new ATOM 0 HB2 LEU A 577 22.228 18.048 35.378 1.00 0.00 H new ATOM 0 HB3 LEU A 577 20.518 18.357 35.602 1.00 0.00 H new ATOM 0 HG LEU A 577 20.921 20.720 34.917 1.00 0.00 H new ATOM 0 HD11 LEU A 577 22.961 21.229 33.571 1.00 0.00 H new ATOM 0 HD12 LEU A 577 23.335 20.890 35.278 1.00 0.00 H new ATOM 0 HD13 LEU A 577 23.633 19.649 34.038 1.00 0.00 H new ATOM 0 HD21 LEU A 577 21.078 20.244 32.473 1.00 0.00 H new ATOM 0 HD22 LEU A 577 21.607 18.588 32.853 1.00 0.00 H new ATOM 0 HD23 LEU A 577 19.976 19.129 33.317 1.00 0.00 H new ATOM 1022 N GLU A 578 19.650 20.351 37.743 1.00 0.00 N ATOM 1023 CA GLU A 578 18.689 21.429 38.062 1.00 0.00 C ATOM 1024 C GLU A 578 19.002 22.231 39.345 1.00 0.00 C ATOM 1025 O GLU A 578 18.459 23.320 39.543 1.00 0.00 O ATOM 1026 CB GLU A 578 17.273 20.824 38.148 1.00 0.00 C ATOM 1027 CG GLU A 578 17.095 19.853 39.332 1.00 0.00 C ATOM 1028 CD GLU A 578 15.784 19.052 39.297 1.00 0.00 C ATOM 1029 OE1 GLU A 578 15.718 18.025 40.018 1.00 0.00 O ATOM 1030 OE2 GLU A 578 14.829 19.417 38.566 1.00 0.00 O ATOM 0 H GLU A 578 19.223 19.425 37.762 1.00 0.00 H new ATOM 0 HA GLU A 578 18.768 22.155 37.253 1.00 0.00 H new ATOM 0 HB2 GLU A 578 16.546 21.631 38.237 1.00 0.00 H new ATOM 0 HB3 GLU A 578 17.054 20.297 37.219 1.00 0.00 H new ATOM 0 HG2 GLU A 578 17.933 19.156 39.345 1.00 0.00 H new ATOM 0 HG3 GLU A 578 17.137 20.420 40.262 1.00 0.00 H new ATOM 1037 N LYS A 579 19.875 21.706 40.216 1.00 0.00 N ATOM 1038 CA LYS A 579 20.284 22.306 41.498 1.00 0.00 C ATOM 1039 C LYS A 579 21.764 22.699 41.511 1.00 0.00 C ATOM 1040 O LYS A 579 22.124 23.744 42.060 1.00 0.00 O ATOM 1041 CB LYS A 579 19.948 21.295 42.606 1.00 0.00 C ATOM 1042 CG LYS A 579 20.315 21.733 44.030 1.00 0.00 C ATOM 1043 CD LYS A 579 19.522 22.966 44.482 1.00 0.00 C ATOM 1044 CE LYS A 579 19.774 23.276 45.961 1.00 0.00 C ATOM 1045 NZ LYS A 579 21.141 23.792 46.209 1.00 0.00 N ATOM 0 H LYS A 579 20.336 20.813 40.041 1.00 0.00 H new ATOM 0 HA LYS A 579 19.742 23.238 41.660 1.00 0.00 H new ATOM 0 HB2 LYS A 579 18.879 21.087 42.572 1.00 0.00 H new ATOM 0 HB3 LYS A 579 20.462 20.359 42.388 1.00 0.00 H new ATOM 0 HG2 LYS A 579 20.128 20.910 44.720 1.00 0.00 H new ATOM 0 HG3 LYS A 579 21.382 21.952 44.077 1.00 0.00 H new ATOM 0 HD2 LYS A 579 19.804 23.826 43.874 1.00 0.00 H new ATOM 0 HD3 LYS A 579 18.458 22.797 44.320 1.00 0.00 H new ATOM 0 HE2 LYS A 579 19.045 24.010 46.304 1.00 0.00 H new ATOM 0 HE3 LYS A 579 19.618 22.372 46.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 579 21.260 23.986 47.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 579 21.840 23.083 45.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 579 21.284 24.670 45.670 1.00 0.00 H new ATOM 1059 N CYS A 580 22.605 21.887 40.876 1.00 0.00 N ATOM 1060 CA CYS A 580 24.038 22.115 40.719 1.00 0.00 C ATOM 1061 C CYS A 580 24.359 23.278 39.755 1.00 0.00 C ATOM 1062 O CYS A 580 25.369 23.965 39.938 1.00 0.00 O ATOM 1063 CB CYS A 580 24.634 20.792 40.225 1.00 0.00 C ATOM 1064 SG CYS A 580 26.428 20.953 40.073 1.00 0.00 S ATOM 0 H CYS A 580 22.295 21.019 40.440 1.00 0.00 H new ATOM 0 HA CYS A 580 24.475 22.417 41.671 1.00 0.00 H new ATOM 0 HB2 CYS A 580 24.389 19.989 40.920 1.00 0.00 H new ATOM 0 HB3 CYS A 580 24.200 20.523 39.262 1.00 0.00 H new ATOM 0 HG CYS A 580 27.004 20.349 41.070 1.00 0.00 H new ATOM 1070 N ARG A 581 23.503 23.520 38.747 1.00 0.00 N ATOM 1071 CA ARG A 581 23.641 24.636 37.793 1.00 0.00 C ATOM 1072 C ARG A 581 23.604 26.007 38.473 1.00 0.00 C ATOM 1073 O ARG A 581 23.058 26.176 39.567 1.00 0.00 O ATOM 1074 CB ARG A 581 22.575 24.537 36.677 1.00 0.00 C ATOM 1075 CG ARG A 581 21.126 24.757 37.161 1.00 0.00 C ATOM 1076 CD ARG A 581 20.130 24.735 35.991 1.00 0.00 C ATOM 1077 NE ARG A 581 18.708 24.769 36.406 1.00 0.00 N ATOM 1078 CZ ARG A 581 18.069 25.698 37.101 1.00 0.00 C ATOM 1079 NH1 ARG A 581 18.622 26.781 37.547 1.00 0.00 N ATOM 1080 NH2 ARG A 581 16.804 25.597 37.380 1.00 0.00 N ATOM 0 H ARG A 581 22.684 22.938 38.569 1.00 0.00 H new ATOM 0 HA ARG A 581 24.629 24.544 37.341 1.00 0.00 H new ATOM 0 HB2 ARG A 581 22.804 25.273 35.906 1.00 0.00 H new ATOM 0 HB3 ARG A 581 22.645 23.554 36.210 1.00 0.00 H new ATOM 0 HG2 ARG A 581 20.860 23.982 37.880 1.00 0.00 H new ATOM 0 HG3 ARG A 581 21.056 25.712 37.681 1.00 0.00 H new ATOM 0 HD2 ARG A 581 20.329 25.589 35.343 1.00 0.00 H new ATOM 0 HD3 ARG A 581 20.303 23.837 35.398 1.00 0.00 H new ATOM 0 HE ARG A 581 18.145 23.969 36.117 1.00 0.00 H new ATOM 0 HH11 ARG A 581 19.610 26.960 37.369 1.00 0.00 H new ATOM 0 HH12 ARG A 581 18.069 27.455 38.076 1.00 0.00 H new ATOM 0 HH21 ARG A 581 16.275 24.785 37.062 1.00 0.00 H new ATOM 0 HH22 ARG A 581 16.340 26.329 37.917 1.00 0.00 H new ATOM 1094 N GLY A 582 24.146 27.009 37.791 1.00 0.00 N ATOM 1095 CA GLY A 582 24.061 28.399 38.233 1.00 0.00 C ATOM 1096 C GLY A 582 24.731 29.395 37.302 1.00 0.00 C ATOM 1097 O GLY A 582 25.389 29.007 36.335 1.00 0.00 O ATOM 0 H GLY A 582 24.656 26.883 36.917 1.00 0.00 H new ATOM 0 HA2 GLY A 582 23.011 28.670 38.340 1.00 0.00 H new ATOM 0 HA3 GLY A 582 24.514 28.482 39.221 1.00 0.00 H new ATOM 1101 N VAL A 583 24.590 30.676 37.645 1.00 0.00 N ATOM 1102 CA VAL A 583 25.353 31.778 37.054 1.00 0.00 C ATOM 1103 C VAL A 583 26.658 32.011 37.809 1.00 0.00 C ATOM 1104 O VAL A 583 26.696 31.984 39.036 1.00 0.00 O ATOM 1105 CB VAL A 583 24.557 33.099 36.945 1.00 0.00 C ATOM 1106 CG1 VAL A 583 23.324 32.975 36.055 1.00 0.00 C ATOM 1107 CG2 VAL A 583 24.106 33.679 38.290 1.00 0.00 C ATOM 0 H VAL A 583 23.928 30.984 38.357 1.00 0.00 H new ATOM 0 HA VAL A 583 25.575 31.464 36.034 1.00 0.00 H new ATOM 0 HB VAL A 583 25.278 33.783 36.497 1.00 0.00 H new ATOM 0 HG11 VAL A 583 22.805 33.933 36.016 1.00 0.00 H new ATOM 0 HG12 VAL A 583 23.629 32.687 35.049 1.00 0.00 H new ATOM 0 HG13 VAL A 583 22.656 32.217 36.463 1.00 0.00 H new ATOM 0 HG21 VAL A 583 23.555 34.604 38.121 1.00 0.00 H new ATOM 0 HG22 VAL A 583 23.462 32.961 38.798 1.00 0.00 H new ATOM 0 HG23 VAL A 583 24.979 33.885 38.909 1.00 0.00 H new ATOM 1117 N PHE A 584 27.728 32.292 37.078 1.00 0.00 N ATOM 1118 CA PHE A 584 29.035 32.678 37.611 1.00 0.00 C ATOM 1119 C PHE A 584 29.642 33.882 36.871 1.00 0.00 C ATOM 1120 O PHE A 584 29.299 34.106 35.704 1.00 0.00 O ATOM 1121 CB PHE A 584 29.990 31.481 37.618 1.00 0.00 C ATOM 1122 CG PHE A 584 30.178 30.837 36.260 1.00 0.00 C ATOM 1123 CD1 PHE A 584 29.276 29.857 35.810 1.00 0.00 C ATOM 1124 CD2 PHE A 584 31.236 31.252 35.431 1.00 0.00 C ATOM 1125 CE1 PHE A 584 29.448 29.268 34.547 1.00 0.00 C ATOM 1126 CE2 PHE A 584 31.396 30.678 34.161 1.00 0.00 C ATOM 1127 CZ PHE A 584 30.514 29.672 33.728 1.00 0.00 C ATOM 0 H PHE A 584 27.713 32.257 36.059 1.00 0.00 H new ATOM 0 HA PHE A 584 28.882 33.000 38.641 1.00 0.00 H new ATOM 0 HB2 PHE A 584 30.961 31.806 37.993 1.00 0.00 H new ATOM 0 HB3 PHE A 584 29.613 30.732 38.315 1.00 0.00 H new ATOM 0 HD1 PHE A 584 28.449 29.557 36.437 1.00 0.00 H new ATOM 0 HD2 PHE A 584 31.924 32.011 35.772 1.00 0.00 H new ATOM 0 HE1 PHE A 584 28.762 28.506 34.207 1.00 0.00 H new ATOM 0 HE2 PHE A 584 32.197 31.009 33.516 1.00 0.00 H new ATOM 0 HZ PHE A 584 30.657 29.209 32.763 1.00 0.00 H new ATOM 1137 N PRO A 585 30.538 34.658 37.507 1.00 0.00 N ATOM 1138 CA PRO A 585 31.296 35.702 36.822 1.00 0.00 C ATOM 1139 C PRO A 585 32.259 35.082 35.798 1.00 0.00 C ATOM 1140 O PRO A 585 33.216 34.403 36.175 1.00 0.00 O ATOM 1141 CB PRO A 585 32.029 36.439 37.945 1.00 0.00 C ATOM 1142 CG PRO A 585 32.182 35.406 39.058 1.00 0.00 C ATOM 1143 CD PRO A 585 30.921 34.572 38.915 1.00 0.00 C ATOM 0 HA PRO A 585 30.668 36.383 36.248 1.00 0.00 H new ATOM 0 HB2 PRO A 585 32.999 36.805 37.610 1.00 0.00 H new ATOM 0 HB3 PRO A 585 31.462 37.305 38.285 1.00 0.00 H new ATOM 0 HG2 PRO A 585 33.082 34.804 38.931 1.00 0.00 H new ATOM 0 HG3 PRO A 585 32.248 35.875 40.040 1.00 0.00 H new ATOM 0 HD2 PRO A 585 31.102 33.538 39.207 1.00 0.00 H new ATOM 0 HD3 PRO A 585 30.127 34.951 39.559 1.00 0.00 H new ATOM 1151 N GLU A 586 32.045 35.313 34.498 1.00 0.00 N ATOM 1152 CA GLU A 586 32.887 34.728 33.438 1.00 0.00 C ATOM 1153 C GLU A 586 34.363 35.161 33.566 1.00 0.00 C ATOM 1154 O GLU A 586 35.268 34.431 33.161 1.00 0.00 O ATOM 1155 CB GLU A 586 32.321 35.107 32.048 1.00 0.00 C ATOM 1156 CG GLU A 586 32.736 36.506 31.536 1.00 0.00 C ATOM 1157 CD GLU A 586 32.012 36.974 30.263 1.00 0.00 C ATOM 1158 OE1 GLU A 586 31.115 36.269 29.734 1.00 0.00 O ATOM 1159 OE2 GLU A 586 32.355 38.067 29.749 1.00 0.00 O ATOM 0 H GLU A 586 31.291 35.905 34.149 1.00 0.00 H new ATOM 0 HA GLU A 586 32.864 33.644 33.551 1.00 0.00 H new ATOM 0 HB2 GLU A 586 32.645 34.360 31.324 1.00 0.00 H new ATOM 0 HB3 GLU A 586 31.233 35.059 32.089 1.00 0.00 H new ATOM 0 HG2 GLU A 586 32.555 37.234 32.327 1.00 0.00 H new ATOM 0 HG3 GLU A 586 33.809 36.503 31.345 1.00 0.00 H new ATOM 1166 N ASN A 587 34.605 36.326 34.177 1.00 0.00 N ATOM 1167 CA ASN A 587 35.914 36.912 34.469 1.00 0.00 C ATOM 1168 C ASN A 587 36.702 36.192 35.586 1.00 0.00 C ATOM 1169 O ASN A 587 37.886 36.481 35.772 1.00 0.00 O ATOM 1170 CB ASN A 587 35.731 38.419 34.760 1.00 0.00 C ATOM 1171 CG ASN A 587 34.723 38.728 35.857 1.00 0.00 C ATOM 1172 OD1 ASN A 587 33.564 38.359 35.792 1.00 0.00 O ATOM 1173 ND2 ASN A 587 35.112 39.437 36.885 1.00 0.00 N ATOM 0 H ASN A 587 33.842 36.921 34.500 1.00 0.00 H new ATOM 0 HA ASN A 587 36.538 36.777 33.586 1.00 0.00 H new ATOM 0 HB2 ASN A 587 36.696 38.843 35.040 1.00 0.00 H new ATOM 0 HB3 ASN A 587 35.417 38.918 33.843 1.00 0.00 H new ATOM 0 HD21 ASN A 587 34.447 39.675 37.621 1.00 0.00 H new ATOM 0 HD22 ASN A 587 36.080 39.752 36.951 1.00 0.00 H new ATOM 1180 N PHE A 588 36.080 35.249 36.306 1.00 0.00 N ATOM 1181 CA PHE A 588 36.767 34.253 37.143 1.00 0.00 C ATOM 1182 C PHE A 588 37.334 33.025 36.426 1.00 0.00 C ATOM 1183 O PHE A 588 38.114 32.269 37.007 1.00 0.00 O ATOM 1184 CB PHE A 588 35.921 33.850 38.363 1.00 0.00 C ATOM 1185 CG PHE A 588 35.963 34.827 39.520 1.00 0.00 C ATOM 1186 CD1 PHE A 588 35.448 36.125 39.370 1.00 0.00 C ATOM 1187 CD2 PHE A 588 36.513 34.437 40.755 1.00 0.00 C ATOM 1188 CE1 PHE A 588 35.471 37.022 40.448 1.00 0.00 C ATOM 1189 CE2 PHE A 588 36.550 35.344 41.830 1.00 0.00 C ATOM 1190 CZ PHE A 588 36.023 36.637 41.680 1.00 0.00 C ATOM 0 H PHE A 588 35.065 35.154 36.324 1.00 0.00 H new ATOM 0 HA PHE A 588 37.657 34.786 37.479 1.00 0.00 H new ATOM 0 HB2 PHE A 588 34.885 33.730 38.045 1.00 0.00 H new ATOM 0 HB3 PHE A 588 36.260 32.876 38.716 1.00 0.00 H new ATOM 0 HD1 PHE A 588 35.033 36.433 38.422 1.00 0.00 H new ATOM 0 HD2 PHE A 588 36.908 33.439 40.878 1.00 0.00 H new ATOM 0 HE1 PHE A 588 35.062 38.014 40.330 1.00 0.00 H new ATOM 0 HE2 PHE A 588 36.985 35.045 42.772 1.00 0.00 H new ATOM 0 HZ PHE A 588 36.042 37.331 42.507 1.00 0.00 H new ATOM 1200 N THR A 589 36.926 32.800 35.176 1.00 0.00 N ATOM 1201 CA THR A 589 37.239 31.604 34.390 1.00 0.00 C ATOM 1202 C THR A 589 37.852 31.993 33.049 1.00 0.00 C ATOM 1203 O THR A 589 37.824 33.160 32.664 1.00 0.00 O ATOM 1204 CB THR A 589 35.959 30.793 34.140 1.00 0.00 C ATOM 1205 OG1 THR A 589 34.962 31.574 33.510 1.00 0.00 O ATOM 1206 CG2 THR A 589 35.328 30.172 35.393 1.00 0.00 C ATOM 0 H THR A 589 36.349 33.468 34.665 1.00 0.00 H new ATOM 0 HA THR A 589 37.954 31.002 34.950 1.00 0.00 H new ATOM 0 HB THR A 589 36.299 29.981 33.498 1.00 0.00 H new ATOM 0 HG1 THR A 589 35.303 32.480 33.358 1.00 0.00 H new ATOM 0 HG21 THR A 589 34.431 29.620 35.113 1.00 0.00 H new ATOM 0 HG22 THR A 589 36.041 29.493 35.861 1.00 0.00 H new ATOM 0 HG23 THR A 589 35.064 30.961 36.097 1.00 0.00 H new ATOM 1214 N GLU A 590 38.397 31.023 32.320 1.00 0.00 N ATOM 1215 CA GLU A 590 38.906 31.222 30.961 1.00 0.00 C ATOM 1216 C GLU A 590 38.165 30.305 29.990 1.00 0.00 C ATOM 1217 O GLU A 590 37.869 29.159 30.326 1.00 0.00 O ATOM 1218 CB GLU A 590 40.430 31.021 30.907 1.00 0.00 C ATOM 1219 CG GLU A 590 40.927 29.565 30.919 1.00 0.00 C ATOM 1220 CD GLU A 590 42.457 29.486 30.848 1.00 0.00 C ATOM 1221 OE1 GLU A 590 43.045 28.424 31.167 1.00 0.00 O ATOM 1222 OE2 GLU A 590 43.122 30.480 30.466 1.00 0.00 O ATOM 0 H GLU A 590 38.500 30.066 32.657 1.00 0.00 H new ATOM 0 HA GLU A 590 38.718 32.251 30.656 1.00 0.00 H new ATOM 0 HB2 GLU A 590 40.807 31.504 30.005 1.00 0.00 H new ATOM 0 HB3 GLU A 590 40.874 31.541 31.756 1.00 0.00 H new ATOM 0 HG2 GLU A 590 40.579 29.069 31.825 1.00 0.00 H new ATOM 0 HG3 GLU A 590 40.495 29.026 30.075 1.00 0.00 H new ATOM 1229 N ARG A 591 37.871 30.797 28.786 1.00 0.00 N ATOM 1230 CA ARG A 591 37.263 30.019 27.696 1.00 0.00 C ATOM 1231 C ARG A 591 38.243 28.922 27.252 1.00 0.00 C ATOM 1232 O ARG A 591 39.412 29.207 26.982 1.00 0.00 O ATOM 1233 CB ARG A 591 36.908 30.979 26.539 1.00 0.00 C ATOM 1234 CG ARG A 591 35.522 30.761 25.914 1.00 0.00 C ATOM 1235 CD ARG A 591 35.300 29.348 25.365 1.00 0.00 C ATOM 1236 NE ARG A 591 34.308 29.351 24.274 1.00 0.00 N ATOM 1237 CZ ARG A 591 34.257 28.485 23.276 1.00 0.00 C ATOM 1238 NH1 ARG A 591 35.027 27.437 23.235 1.00 0.00 N ATOM 1239 NH2 ARG A 591 33.421 28.641 22.296 1.00 0.00 N ATOM 0 H ARG A 591 38.051 31.768 28.532 1.00 0.00 H new ATOM 0 HA ARG A 591 36.346 29.532 28.027 1.00 0.00 H new ATOM 0 HB2 ARG A 591 36.967 32.003 26.907 1.00 0.00 H new ATOM 0 HB3 ARG A 591 37.662 30.877 25.758 1.00 0.00 H new ATOM 0 HG2 ARG A 591 34.760 30.972 26.664 1.00 0.00 H new ATOM 0 HG3 ARG A 591 35.382 31.479 25.106 1.00 0.00 H new ATOM 0 HD2 ARG A 591 36.244 28.944 25.001 1.00 0.00 H new ATOM 0 HD3 ARG A 591 34.961 28.692 26.167 1.00 0.00 H new ATOM 0 HE ARG A 591 33.600 30.085 24.291 1.00 0.00 H new ATOM 0 HH11 ARG A 591 35.694 27.265 23.987 1.00 0.00 H new ATOM 0 HH12 ARG A 591 34.963 26.788 22.451 1.00 0.00 H new ATOM 0 HH21 ARG A 591 32.789 29.442 22.287 1.00 0.00 H new ATOM 0 HH22 ARG A 591 33.396 27.963 21.534 1.00 0.00 H new ATOM 1253 N VAL A 592 37.765 27.683 27.161 1.00 0.00 N ATOM 1254 CA VAL A 592 38.543 26.499 26.742 1.00 0.00 C ATOM 1255 C VAL A 592 37.867 25.867 25.503 1.00 0.00 C ATOM 1256 O VAL A 592 36.687 26.145 25.246 1.00 0.00 O ATOM 1257 CB VAL A 592 38.653 25.485 27.906 1.00 0.00 C ATOM 1258 CG1 VAL A 592 39.665 25.960 28.954 1.00 0.00 C ATOM 1259 CG2 VAL A 592 37.322 25.220 28.610 1.00 0.00 C ATOM 0 H VAL A 592 36.795 27.459 27.382 1.00 0.00 H new ATOM 0 HA VAL A 592 39.557 26.797 26.476 1.00 0.00 H new ATOM 0 HB VAL A 592 38.984 24.554 27.445 1.00 0.00 H new ATOM 0 HG11 VAL A 592 39.723 25.230 29.761 1.00 0.00 H new ATOM 0 HG12 VAL A 592 40.646 26.067 28.490 1.00 0.00 H new ATOM 0 HG13 VAL A 592 39.347 26.921 29.357 1.00 0.00 H new ATOM 0 HG21 VAL A 592 37.473 24.500 29.415 1.00 0.00 H new ATOM 0 HG22 VAL A 592 36.938 26.152 29.024 1.00 0.00 H new ATOM 0 HG23 VAL A 592 36.605 24.818 27.894 1.00 0.00 H new ATOM 1269 N PRO A 593 38.586 25.060 24.695 1.00 0.00 N ATOM 1270 CA PRO A 593 38.082 24.502 23.433 1.00 0.00 C ATOM 1271 C PRO A 593 37.068 23.359 23.597 1.00 0.00 C ATOM 1272 O PRO A 593 37.316 22.397 24.359 1.00 0.00 O ATOM 1273 CB PRO A 593 39.328 24.066 22.658 1.00 0.00 C ATOM 1274 CG PRO A 593 40.322 23.715 23.762 1.00 0.00 C ATOM 1275 CD PRO A 593 40.007 24.758 24.831 1.00 0.00 C ATOM 1276 OXT PRO A 593 36.012 23.431 22.924 1.00 0.00 O ATOM 0 HA PRO A 593 37.504 25.256 22.899 1.00 0.00 H new ATOM 0 HB2 PRO A 593 39.123 23.211 22.014 1.00 0.00 H new ATOM 0 HB3 PRO A 593 39.703 24.864 22.017 1.00 0.00 H new ATOM 0 HG2 PRO A 593 40.178 22.699 24.131 1.00 0.00 H new ATOM 0 HG3 PRO A 593 41.354 23.786 23.417 1.00 0.00 H new ATOM 0 HD2 PRO A 593 40.231 24.375 25.827 1.00 0.00 H new ATOM 0 HD3 PRO A 593 40.611 25.654 24.691 1.00 0.00 H new TER 1284 PRO A 593 ATOM 1285 N SER B1728 47.057 41.447 44.367 1.00 0.00 N ATOM 1286 CA SER B1728 46.852 42.234 43.142 1.00 0.00 C ATOM 1287 C SER B1728 46.303 41.364 42.021 1.00 0.00 C ATOM 1288 O SER B1728 46.376 40.135 42.091 1.00 0.00 O ATOM 1289 CB SER B1728 48.164 42.887 42.705 1.00 0.00 C ATOM 1290 OG SER B1728 49.109 41.913 42.296 1.00 0.00 O ATOM 0 HA SER B1728 46.122 43.014 43.359 1.00 0.00 H new ATOM 0 HB2 SER B1728 47.973 43.580 41.885 1.00 0.00 H new ATOM 0 HB3 SER B1728 48.574 43.472 43.528 1.00 0.00 H new ATOM 0 HG SER B1728 49.065 41.141 42.898 1.00 0.00 H new ATOM 1298 N THR B1729 45.760 42.000 40.979 1.00 0.00 N ATOM 1299 CA THR B1729 45.281 41.374 39.733 1.00 0.00 C ATOM 1300 C THR B1729 44.112 40.394 39.844 1.00 0.00 C ATOM 1301 O THR B1729 43.784 39.683 38.889 1.00 0.00 O ATOM 1302 CB THR B1729 46.401 40.943 38.763 1.00 0.00 C ATOM 1303 OG1 THR B1729 46.824 39.616 39.004 1.00 0.00 O ATOM 1304 CG2 THR B1729 47.656 41.816 38.816 1.00 0.00 C ATOM 0 H THR B1729 45.634 43.012 40.976 1.00 0.00 H new ATOM 0 HA THR B1729 44.794 42.216 39.242 1.00 0.00 H new ATOM 0 HB THR B1729 45.938 41.047 37.782 1.00 0.00 H new ATOM 0 HG1 THR B1729 46.801 39.435 39.967 1.00 0.00 H new ATOM 0 HG21 THR B1729 48.390 41.441 38.103 1.00 0.00 H new ATOM 0 HG22 THR B1729 47.395 42.844 38.563 1.00 0.00 H new ATOM 0 HG23 THR B1729 48.078 41.786 39.821 1.00 0.00 H new ATOM 1312 N VAL B1730 43.449 40.367 41.000 1.00 0.00 N ATOM 1313 CA VAL B1730 42.285 39.498 41.250 1.00 0.00 C ATOM 1314 C VAL B1730 41.015 39.980 40.532 1.00 0.00 C ATOM 1315 O VAL B1730 40.796 41.197 40.447 1.00 0.00 O ATOM 1316 CB VAL B1730 42.041 39.199 42.747 1.00 0.00 C ATOM 1317 CG1 VAL B1730 43.341 38.844 43.477 1.00 0.00 C ATOM 1318 CG2 VAL B1730 41.358 40.346 43.502 1.00 0.00 C ATOM 0 H VAL B1730 43.701 40.949 41.799 1.00 0.00 H new ATOM 0 HA VAL B1730 42.548 38.539 40.802 1.00 0.00 H new ATOM 0 HB VAL B1730 41.365 38.344 42.747 1.00 0.00 H new ATOM 0 HG11 VAL B1730 43.125 38.641 44.526 1.00 0.00 H new ATOM 0 HG12 VAL B1730 43.785 37.960 43.020 1.00 0.00 H new ATOM 0 HG13 VAL B1730 44.038 39.679 43.405 1.00 0.00 H new ATOM 0 HG21 VAL B1730 41.220 40.063 44.546 1.00 0.00 H new ATOM 0 HG22 VAL B1730 41.980 41.239 43.447 1.00 0.00 H new ATOM 0 HG23 VAL B1730 40.388 40.552 43.050 1.00 0.00 H new ATOM 1328 N PRO B1731 40.169 39.070 40.016 1.00 0.00 N ATOM 1329 CA PRO B1731 38.868 39.422 39.457 1.00 0.00 C ATOM 1330 C PRO B1731 37.832 39.741 40.551 1.00 0.00 C ATOM 1331 O PRO B1731 37.996 39.373 41.719 1.00 0.00 O ATOM 1332 CB PRO B1731 38.463 38.213 38.610 1.00 0.00 C ATOM 1333 CG PRO B1731 39.080 37.044 39.377 1.00 0.00 C ATOM 1334 CD PRO B1731 40.389 37.632 39.902 1.00 0.00 C ATOM 0 HA PRO B1731 38.918 40.333 38.860 1.00 0.00 H new ATOM 0 HB2 PRO B1731 37.380 38.119 38.531 1.00 0.00 H new ATOM 0 HB3 PRO B1731 38.852 38.281 37.594 1.00 0.00 H new ATOM 0 HG2 PRO B1731 38.434 36.708 40.188 1.00 0.00 H new ATOM 0 HG3 PRO B1731 39.254 36.184 38.731 1.00 0.00 H new ATOM 0 HD2 PRO B1731 40.651 37.200 40.868 1.00 0.00 H new ATOM 0 HD3 PRO B1731 41.213 37.416 39.222 1.00 0.00 H new ATOM 1342 N VAL B1732 36.739 40.404 40.160 1.00 0.00 N ATOM 1343 CA VAL B1732 35.599 40.765 41.028 1.00 0.00 C ATOM 1344 C VAL B1732 34.277 40.507 40.303 1.00 0.00 C ATOM 1345 O VAL B1732 34.130 40.842 39.126 1.00 0.00 O ATOM 1346 CB VAL B1732 35.685 42.229 41.502 1.00 0.00 C ATOM 1347 CG1 VAL B1732 34.533 42.588 42.448 1.00 0.00 C ATOM 1348 CG2 VAL B1732 37.001 42.526 42.231 1.00 0.00 C ATOM 0 H VAL B1732 36.613 40.718 39.198 1.00 0.00 H new ATOM 0 HA VAL B1732 35.642 40.133 41.915 1.00 0.00 H new ATOM 0 HB VAL B1732 35.626 42.832 40.596 1.00 0.00 H new ATOM 0 HG11 VAL B1732 34.629 43.628 42.760 1.00 0.00 H new ATOM 0 HG12 VAL B1732 33.583 42.450 41.933 1.00 0.00 H new ATOM 0 HG13 VAL B1732 34.567 41.941 43.325 1.00 0.00 H new ATOM 0 HG21 VAL B1732 37.015 43.569 42.546 1.00 0.00 H new ATOM 0 HG22 VAL B1732 37.086 41.882 43.106 1.00 0.00 H new ATOM 0 HG23 VAL B1732 37.839 42.338 41.560 1.00 0.00 H new ATOM 1358 N ALA B1733 33.310 39.877 40.970 1.00 0.00 N ATOM 1359 CA ALA B1733 32.048 39.491 40.340 1.00 0.00 C ATOM 1360 C ALA B1733 31.193 40.727 39.973 1.00 0.00 C ATOM 1361 O ALA B1733 31.028 41.602 40.834 1.00 0.00 O ATOM 1362 CB ALA B1733 31.296 38.532 41.264 1.00 0.00 C ATOM 0 H ALA B1733 33.378 39.621 41.955 1.00 0.00 H new ATOM 0 HA ALA B1733 32.261 38.979 39.402 1.00 0.00 H new ATOM 0 HB1 ALA B1733 30.354 38.242 40.798 1.00 0.00 H new ATOM 0 HB2 ALA B1733 31.903 37.644 41.439 1.00 0.00 H new ATOM 0 HB3 ALA B1733 31.094 39.026 42.214 1.00 0.00 H new ATOM 1368 N PRO B1734 30.628 40.820 38.751 1.00 0.00 N ATOM 1369 CA PRO B1734 29.833 41.977 38.333 1.00 0.00 C ATOM 1370 C PRO B1734 28.531 42.143 39.140 1.00 0.00 C ATOM 1371 O PRO B1734 28.072 41.191 39.786 1.00 0.00 O ATOM 1372 CB PRO B1734 29.510 41.783 36.844 1.00 0.00 C ATOM 1373 CG PRO B1734 30.260 40.533 36.395 1.00 0.00 C ATOM 1374 CD PRO B1734 30.755 39.856 37.667 1.00 0.00 C ATOM 0 HA PRO B1734 30.409 42.885 38.513 1.00 0.00 H new ATOM 0 HB2 PRO B1734 28.437 41.667 36.692 1.00 0.00 H new ATOM 0 HB3 PRO B1734 29.822 42.651 36.264 1.00 0.00 H new ATOM 0 HG2 PRO B1734 29.607 39.869 35.829 1.00 0.00 H new ATOM 0 HG3 PRO B1734 31.093 40.792 35.742 1.00 0.00 H new ATOM 0 HD2 PRO B1734 30.169 38.961 37.878 1.00 0.00 H new ATOM 0 HD3 PRO B1734 31.792 39.539 37.555 1.00 0.00 H new ATOM 1382 N PRO B1735 27.859 43.304 39.045 1.00 0.00 N ATOM 1383 CA PRO B1735 26.463 43.451 39.451 1.00 0.00 C ATOM 1384 C PRO B1735 25.522 42.525 38.659 1.00 0.00 C ATOM 1385 O PRO B1735 25.867 42.072 37.562 1.00 0.00 O ATOM 1386 CB PRO B1735 26.116 44.925 39.209 1.00 0.00 C ATOM 1387 CG PRO B1735 27.471 45.629 39.138 1.00 0.00 C ATOM 1388 CD PRO B1735 28.367 44.561 38.520 1.00 0.00 C ATOM 0 HA PRO B1735 26.333 43.166 40.495 1.00 0.00 H new ATOM 0 HB2 PRO B1735 25.553 45.054 38.285 1.00 0.00 H new ATOM 0 HB3 PRO B1735 25.502 45.326 40.015 1.00 0.00 H new ATOM 0 HG2 PRO B1735 27.429 46.528 38.524 1.00 0.00 H new ATOM 0 HG3 PRO B1735 27.823 45.933 40.124 1.00 0.00 H new ATOM 0 HD2 PRO B1735 28.318 44.584 37.431 1.00 0.00 H new ATOM 0 HD3 PRO B1735 29.411 44.712 38.795 1.00 0.00 H new ATOM 1396 N ARG B1736 24.317 42.272 39.187 1.00 0.00 N ATOM 1397 CA ARG B1736 23.258 41.485 38.525 1.00 0.00 C ATOM 1398 C ARG B1736 21.900 42.192 38.571 1.00 0.00 C ATOM 1399 O ARG B1736 21.734 43.207 39.257 1.00 0.00 O ATOM 1400 CB ARG B1736 23.102 40.081 39.145 1.00 0.00 C ATOM 1401 CG ARG B1736 24.376 39.291 39.506 1.00 0.00 C ATOM 1402 CD ARG B1736 25.080 39.658 40.831 1.00 0.00 C ATOM 1403 NE ARG B1736 24.144 39.878 41.951 1.00 0.00 N ATOM 1404 CZ ARG B1736 23.462 38.961 42.613 1.00 0.00 C ATOM 1405 NH1 ARG B1736 23.678 37.683 42.550 1.00 0.00 N ATOM 1406 NH2 ARG B1736 22.482 39.285 43.394 1.00 0.00 N ATOM 0 H ARG B1736 24.041 42.615 40.107 1.00 0.00 H new ATOM 0 HA ARG B1736 23.577 41.385 37.487 1.00 0.00 H new ATOM 0 HB2 ARG B1736 22.507 40.184 40.053 1.00 0.00 H new ATOM 0 HB3 ARG B1736 22.521 39.474 38.450 1.00 0.00 H new ATOM 0 HG2 ARG B1736 24.119 38.232 39.542 1.00 0.00 H new ATOM 0 HG3 ARG B1736 25.094 39.418 38.695 1.00 0.00 H new ATOM 0 HD2 ARG B1736 25.774 38.861 41.098 1.00 0.00 H new ATOM 0 HD3 ARG B1736 25.674 40.560 40.681 1.00 0.00 H new ATOM 0 HE ARG B1736 24.009 40.845 42.246 1.00 0.00 H new ATOM 0 HH11 ARG B1736 24.423 37.320 41.955 1.00 0.00 H new ATOM 0 HH12 ARG B1736 23.103 37.041 43.096 1.00 0.00 H new ATOM 0 HH21 ARG B1736 22.223 40.265 43.508 1.00 0.00 H new ATOM 0 HH22 ARG B1736 21.969 38.560 43.896 1.00 0.00 H new ATOM 1420 N ARG B1737 20.913 41.611 37.885 1.00 0.00 N ATOM 1421 CA ARG B1737 19.512 42.048 37.813 1.00 0.00 C ATOM 1422 C ARG B1737 18.625 40.809 37.974 1.00 0.00 C ATOM 1423 O ARG B1737 18.432 40.055 37.015 1.00 0.00 O ATOM 1424 CB ARG B1737 19.257 42.731 36.456 1.00 0.00 C ATOM 1425 CG ARG B1737 20.224 43.869 36.083 1.00 0.00 C ATOM 1426 CD ARG B1737 20.111 44.100 34.578 1.00 0.00 C ATOM 1427 NE ARG B1737 20.837 45.309 34.149 1.00 0.00 N ATOM 1428 CZ ARG B1737 21.494 45.501 33.018 1.00 0.00 C ATOM 1429 NH1 ARG B1737 21.572 44.618 32.065 1.00 0.00 N ATOM 1430 NH2 ARG B1737 22.102 46.627 32.825 1.00 0.00 N ATOM 0 H ARG B1737 21.078 40.771 37.330 1.00 0.00 H new ATOM 0 HA ARG B1737 19.285 42.766 38.601 1.00 0.00 H new ATOM 0 HB2 ARG B1737 19.302 41.972 35.675 1.00 0.00 H new ATOM 0 HB3 ARG B1737 18.242 43.128 36.456 1.00 0.00 H new ATOM 0 HG2 ARG B1737 19.973 44.778 36.629 1.00 0.00 H new ATOM 0 HG3 ARG B1737 21.247 43.606 36.354 1.00 0.00 H new ATOM 0 HD2 ARG B1737 20.505 43.233 34.048 1.00 0.00 H new ATOM 0 HD3 ARG B1737 19.060 44.191 34.303 1.00 0.00 H new ATOM 0 HE ARG B1737 20.832 46.091 34.803 1.00 0.00 H new ATOM 0 HH11 ARG B1737 21.109 43.715 32.167 1.00 0.00 H new ATOM 0 HH12 ARG B1737 22.096 44.829 31.216 1.00 0.00 H new ATOM 0 HH21 ARG B1737 22.071 47.353 33.541 1.00 0.00 H new ATOM 0 HH22 ARG B1737 22.613 46.789 31.957 1.00 0.00 H new ATOM 1444 N ARG B1738 18.125 40.555 39.187 1.00 0.00 N ATOM 1445 CA ARG B1738 17.263 39.394 39.468 1.00 0.00 C ATOM 1446 C ARG B1738 15.895 39.533 38.781 1.00 0.00 C ATOM 1447 O ARG B1738 15.454 40.632 38.444 1.00 0.00 O ATOM 1448 CB ARG B1738 17.086 39.172 40.981 1.00 0.00 C ATOM 1449 CG ARG B1738 18.375 38.992 41.803 1.00 0.00 C ATOM 1450 CD ARG B1738 18.023 38.313 43.137 1.00 0.00 C ATOM 1451 NE ARG B1738 19.144 38.294 44.095 1.00 0.00 N ATOM 1452 CZ ARG B1738 19.208 38.942 45.246 1.00 0.00 C ATOM 1453 NH1 ARG B1738 18.361 39.868 45.586 1.00 0.00 N ATOM 1454 NH2 ARG B1738 20.142 38.647 46.096 1.00 0.00 N ATOM 0 H ARG B1738 18.303 41.143 40.001 1.00 0.00 H new ATOM 0 HA ARG B1738 17.764 38.518 39.056 1.00 0.00 H new ATOM 0 HB2 ARG B1738 16.537 40.021 41.389 1.00 0.00 H new ATOM 0 HB3 ARG B1738 16.463 38.290 41.126 1.00 0.00 H new ATOM 0 HG2 ARG B1738 19.094 38.387 41.250 1.00 0.00 H new ATOM 0 HG3 ARG B1738 18.845 39.959 41.984 1.00 0.00 H new ATOM 0 HD2 ARG B1738 17.177 38.831 43.588 1.00 0.00 H new ATOM 0 HD3 ARG B1738 17.703 37.289 42.942 1.00 0.00 H new ATOM 0 HE ARG B1738 19.952 37.723 43.845 1.00 0.00 H new ATOM 0 HH11 ARG B1738 17.604 40.124 44.953 1.00 0.00 H new ATOM 0 HH12 ARG B1738 18.454 40.338 46.486 1.00 0.00 H new ATOM 0 HH21 ARG B1738 20.821 37.919 45.875 1.00 0.00 H new ATOM 0 HH22 ARG B1738 20.197 39.143 46.986 1.00 0.00 H new ATOM 1468 N ARG B1739 15.185 38.413 38.608 1.00 0.00 N ATOM 1469 CA ARG B1739 13.784 38.365 38.137 1.00 0.00 C ATOM 1470 C ARG B1739 12.777 38.569 39.282 1.00 0.00 C ATOM 1471 O ARG B1739 11.905 37.729 39.528 1.00 0.00 O ATOM 1472 CB ARG B1739 13.556 37.120 37.278 1.00 0.00 C ATOM 1473 CG ARG B1739 13.891 35.774 37.930 1.00 0.00 C ATOM 1474 CD ARG B1739 13.392 34.670 37.000 1.00 0.00 C ATOM 1475 NE ARG B1739 13.588 33.339 37.595 1.00 0.00 N ATOM 1476 CZ ARG B1739 12.717 32.632 38.288 1.00 0.00 C ATOM 1477 NH1 ARG B1739 11.524 33.056 38.594 1.00 0.00 N ATOM 1478 NH2 ARG B1739 13.071 31.457 38.702 1.00 0.00 N ATOM 0 H ARG B1739 15.572 37.488 38.795 1.00 0.00 H new ATOM 0 HA ARG B1739 13.596 39.215 37.481 1.00 0.00 H new ATOM 0 HB2 ARG B1739 12.510 37.102 36.973 1.00 0.00 H new ATOM 0 HB3 ARG B1739 14.151 37.218 36.370 1.00 0.00 H new ATOM 0 HG2 ARG B1739 14.965 35.683 38.089 1.00 0.00 H new ATOM 0 HG3 ARG B1739 13.416 35.694 38.908 1.00 0.00 H new ATOM 0 HD2 ARG B1739 12.334 34.823 36.786 1.00 0.00 H new ATOM 0 HD3 ARG B1739 13.921 34.727 36.049 1.00 0.00 H new ATOM 0 HE ARG B1739 14.504 32.913 37.455 1.00 0.00 H new ATOM 0 HH11 ARG B1739 11.219 33.982 38.294 1.00 0.00 H new ATOM 0 HH12 ARG B1739 10.894 32.462 39.133 1.00 0.00 H new ATOM 0 HH21 ARG B1739 14.003 31.101 38.490 1.00 0.00 H new ATOM 0 HH22 ARG B1739 12.418 30.888 39.240 1.00 0.00 H new ATOM 1492 N GLY B1740 12.990 39.622 40.074 1.00 0.00 N ATOM 1493 CA GLY B1740 12.569 39.656 41.478 1.00 0.00 C ATOM 1494 C GLY B1740 13.360 38.648 42.329 1.00 0.00 C ATOM 1495 O GLY B1740 14.169 37.878 41.801 1.00 0.00 O ATOM 0 H GLY B1740 13.458 40.473 39.762 1.00 0.00 H new ATOM 0 HA2 GLY B1740 12.710 40.660 41.877 1.00 0.00 H new ATOM 0 HA3 GLY B1740 11.504 39.433 41.545 1.00 0.00 H new ATOM 1499 N ARG B1741 13.105 38.582 43.641 1.00 0.00 N ATOM 1500 CA ARG B1741 13.686 37.573 44.556 1.00 0.00 C ATOM 1501 C ARG B1741 13.032 36.193 44.394 1.00 0.00 C ATOM 1502 O ARG B1741 12.492 35.623 45.339 1.00 0.00 O ATOM 1503 CB ARG B1741 13.665 38.071 46.010 1.00 0.00 C ATOM 1504 CG ARG B1741 14.552 39.311 46.215 1.00 0.00 C ATOM 1505 CD ARG B1741 14.690 39.676 47.696 1.00 0.00 C ATOM 1506 NE ARG B1741 13.380 39.958 48.306 1.00 0.00 N ATOM 1507 CZ ARG B1741 13.103 40.054 49.589 1.00 0.00 C ATOM 1508 NH1 ARG B1741 14.009 39.988 50.519 1.00 0.00 N ATOM 1509 NH2 ARG B1741 11.872 40.237 49.957 1.00 0.00 N ATOM 0 H ARG B1741 12.480 39.236 44.112 1.00 0.00 H new ATOM 0 HA ARG B1741 14.731 37.439 44.276 1.00 0.00 H new ATOM 0 HB2 ARG B1741 12.640 38.309 46.296 1.00 0.00 H new ATOM 0 HB3 ARG B1741 14.003 37.272 46.670 1.00 0.00 H new ATOM 0 HG2 ARG B1741 15.540 39.124 45.794 1.00 0.00 H new ATOM 0 HG3 ARG B1741 14.128 40.155 45.671 1.00 0.00 H new ATOM 0 HD2 ARG B1741 15.173 38.858 48.230 1.00 0.00 H new ATOM 0 HD3 ARG B1741 15.336 40.548 47.798 1.00 0.00 H new ATOM 0 HE ARG B1741 12.600 40.094 47.663 1.00 0.00 H new ATOM 0 HH11 ARG B1741 14.989 39.856 50.268 1.00 0.00 H new ATOM 0 HH12 ARG B1741 13.740 40.068 51.500 1.00 0.00 H new ATOM 0 HH21 ARG B1741 11.135 40.304 49.255 1.00 0.00 H new ATOM 0 HH22 ARG B1741 11.642 40.313 50.948 1.00 0.00 H new ATOM 1523 N ASN B1742 13.038 35.691 43.160 1.00 0.00 N ATOM 1524 CA ASN B1742 12.346 34.480 42.710 1.00 0.00 C ATOM 1525 C ASN B1742 13.301 33.382 42.209 1.00 0.00 C ATOM 1526 O ASN B1742 12.852 32.402 41.614 1.00 0.00 O ATOM 1527 CB ASN B1742 11.305 34.878 41.646 1.00 0.00 C ATOM 1528 CG ASN B1742 10.230 35.792 42.197 1.00 0.00 C ATOM 1529 OD1 ASN B1742 9.384 35.383 42.978 1.00 0.00 O ATOM 1530 ND2 ASN B1742 10.176 37.033 41.782 1.00 0.00 N ATOM 0 H ASN B1742 13.554 36.142 42.404 1.00 0.00 H new ATOM 0 HA ASN B1742 11.842 34.032 43.566 1.00 0.00 H new ATOM 0 HB2 ASN B1742 11.809 35.375 40.817 1.00 0.00 H new ATOM 0 HB3 ASN B1742 10.840 33.978 41.243 1.00 0.00 H new ATOM 0 HD21 ASN B1742 9.432 37.649 42.111 1.00 0.00 H new ATOM 0 HD22 ASN B1742 10.878 37.384 41.130 1.00 0.00 H new ATOM 1537 N LEU B1743 14.613 33.534 42.424 1.00 0.00 N ATOM 1538 CA LEU B1743 15.622 32.530 42.063 1.00 0.00 C ATOM 1539 C LEU B1743 15.342 31.225 42.831 1.00 0.00 C ATOM 1540 O LEU B1743 14.796 31.257 43.941 1.00 0.00 O ATOM 1541 CB LEU B1743 17.032 33.080 42.356 1.00 0.00 C ATOM 1542 CG LEU B1743 17.606 34.063 41.311 1.00 0.00 C ATOM 1543 CD1 LEU B1743 16.702 35.256 40.981 1.00 0.00 C ATOM 1544 CD2 LEU B1743 18.931 34.625 41.836 1.00 0.00 C ATOM 0 H LEU B1743 15.009 34.367 42.859 1.00 0.00 H new ATOM 0 HA LEU B1743 15.570 32.310 40.997 1.00 0.00 H new ATOM 0 HB2 LEU B1743 17.011 33.581 43.324 1.00 0.00 H new ATOM 0 HB3 LEU B1743 17.717 32.237 42.448 1.00 0.00 H new ATOM 0 HG LEU B1743 17.716 33.483 40.395 1.00 0.00 H new ATOM 0 HD11 LEU B1743 17.190 35.888 40.239 1.00 0.00 H new ATOM 0 HD12 LEU B1743 15.754 34.895 40.583 1.00 0.00 H new ATOM 0 HD13 LEU B1743 16.518 35.835 41.886 1.00 0.00 H new ATOM 0 HD21 LEU B1743 19.346 35.320 41.106 1.00 0.00 H new ATOM 0 HD22 LEU B1743 18.757 35.147 42.777 1.00 0.00 H new ATOM 0 HD23 LEU B1743 19.634 33.808 41.999 1.00 0.00 H new ATOM 1556 N THR B1744 15.664 30.079 42.227 1.00 0.00 N ATOM 1557 CA THR B1744 15.230 28.742 42.686 1.00 0.00 C ATOM 1558 C THR B1744 16.019 28.079 43.813 1.00 0.00 C ATOM 1559 O THR B1744 15.408 27.713 44.838 1.00 0.00 O ATOM 1560 CB THR B1744 14.872 27.792 41.535 1.00 0.00 C ATOM 1561 OG1 THR B1744 14.423 28.500 40.394 1.00 0.00 O ATOM 1562 CG2 THR B1744 13.765 26.825 41.920 1.00 0.00 C ATOM 1563 OXT THR B1744 17.251 27.900 43.695 1.00 0.00 O ATOM 0 H THR B1744 16.244 30.045 41.389 1.00 0.00 H new ATOM 0 HA THR B1744 14.302 28.982 43.205 1.00 0.00 H new ATOM 0 HB THR B1744 15.789 27.247 41.312 1.00 0.00 H new ATOM 0 HG1 THR B1744 14.205 27.865 39.680 1.00 0.00 H new ATOM 0 HG21 THR B1744 13.543 26.171 41.076 1.00 0.00 H new ATOM 0 HG22 THR B1744 14.087 26.224 42.770 1.00 0.00 H new ATOM 0 HG23 THR B1744 12.870 27.385 42.190 1.00 0.00 H new TER 1571 THR B1744