USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 616 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 Single : A 552 THR OG1 : rot 35:sc= 0.106 USER MOD Single : A 555 THR OG1 : rot 180:sc= 0 USER MOD Single : A 556 THR OG1 : rot 180:sc= 0.00343 USER MOD Single : A 559 GLN : amide:sc= -0.223 K(o=-0.22,f=-0.75) USER MOD Single : A 560 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 564 GLN :FLIP amide:sc= -0.433 F(o=-1.4,f=-0.43) USER MOD Single : A 567 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 568 THR OG1 : rot 81:sc= 1.07 USER MOD Single : A 569 TYR OH : rot 180:sc= 0 USER MOD Single : A 572 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 573 THR OG1 : rot -110:sc= -1.5! USER MOD Single : A 578 LYS NZ :NH3+ 165:sc= 0.758 (180deg=0.62) USER MOD Single : A 579 LYS NZ :NH3+ -135:sc= 0.0236 (180deg=-0.117) USER MOD Single : A 588 THR OG1 : rot 180:sc= 0 USER MOD Single : A 589 LYS NZ :NH3+ -102:sc= 0.397! (180deg=-3.18!) USER MOD Single : A 590 LYS NZ :NH3+ -121:sc= 0.179 (180deg=-0.0553) USER MOD Single : A 592 CYS SG : rot 50:sc= -2.74 USER MOD Single : A 593 MET CE :methyl -157:sc= -0.306 (180deg=-0.773) USER MOD Single : A 594 LYS NZ :NH3+ 172:sc=-0.00768 (180deg=-0.0926) USER MOD Single : A 596 TYR OH : rot 30:sc= 0 USER MOD Single : A 597 LYS NZ :NH3+ -142:sc= 0.0448 (180deg=-1.44!) USER MOD Single : A 602 MET CE :methyl -173:sc= -0.75 (180deg=-0.779) USER MOD Single : A 604 LYS NZ :NH3+ -119:sc= -0.199 (180deg=-1.8!) USER MOD Single : A 606 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 607 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 610 GLN : amide:sc=-0.00662 X(o=-0.0066,f=-0.0066) USER MOD Single : A 612 GLN : amide:sc= -0.441 X(o=-0.44,f=-0.031) USER MOD Single : A 615 ASN : amide:sc= -0.565 K(o=-0.56,f=-5.4!) USER MOD Single : A 617 SER OG : rot 180:sc= 0 USER MOD Single : A 620 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 621 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0388) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 551 0.104 -2.684 3.945 1.00 0.00 N ATOM 2 CA PHE A 551 -0.297 -3.781 4.870 1.00 0.00 C ATOM 3 C PHE A 551 -1.597 -4.463 4.408 1.00 0.00 C ATOM 4 O PHE A 551 -2.652 -3.824 4.313 1.00 0.00 O ATOM 5 CB PHE A 551 -0.468 -3.253 6.320 1.00 0.00 C ATOM 6 CG PHE A 551 -0.896 -4.322 7.334 1.00 0.00 C ATOM 7 CD1 PHE A 551 0.018 -5.262 7.808 1.00 0.00 C ATOM 8 CD2 PHE A 551 -2.216 -4.400 7.798 1.00 0.00 C ATOM 9 CE1 PHE A 551 -0.370 -6.237 8.711 1.00 0.00 C ATOM 10 CE2 PHE A 551 -2.597 -5.380 8.695 1.00 0.00 C ATOM 11 CZ PHE A 551 -1.674 -6.297 9.148 1.00 0.00 C ATOM 0 HA PHE A 551 0.504 -4.520 4.855 1.00 0.00 H new ATOM 0 HB2 PHE A 551 0.474 -2.814 6.648 1.00 0.00 H new ATOM 0 HB3 PHE A 551 -1.209 -2.453 6.318 1.00 0.00 H new ATOM 0 HD1 PHE A 551 1.042 -5.229 7.466 1.00 0.00 H new ATOM 0 HD2 PHE A 551 -2.946 -3.684 7.450 1.00 0.00 H new ATOM 0 HE1 PHE A 551 0.353 -6.953 9.074 1.00 0.00 H new ATOM 0 HE2 PHE A 551 -3.619 -5.427 9.041 1.00 0.00 H new ATOM 0 HZ PHE A 551 -1.974 -7.064 9.847 1.00 0.00 H new ATOM 21 N THR A 552 -1.484 -5.758 4.098 1.00 0.00 N ATOM 22 CA THR A 552 -2.593 -6.562 3.604 1.00 0.00 C ATOM 23 C THR A 552 -3.299 -7.272 4.777 1.00 0.00 C ATOM 24 O THR A 552 -2.649 -7.978 5.547 1.00 0.00 O ATOM 25 CB THR A 552 -2.076 -7.597 2.555 1.00 0.00 C ATOM 26 OG1 THR A 552 -1.005 -8.384 3.117 1.00 0.00 O ATOM 27 CG2 THR A 552 -1.580 -6.893 1.273 1.00 0.00 C ATOM 0 H THR A 552 -0.610 -6.277 4.186 1.00 0.00 H new ATOM 0 HA THR A 552 -3.317 -5.910 3.115 1.00 0.00 H new ATOM 0 HB THR A 552 -2.909 -8.249 2.292 1.00 0.00 H new ATOM 0 HG1 THR A 552 -1.173 -8.531 4.071 1.00 0.00 H new ATOM 0 HG21 THR A 552 -1.226 -7.639 0.562 1.00 0.00 H new ATOM 0 HG22 THR A 552 -2.399 -6.327 0.828 1.00 0.00 H new ATOM 0 HG23 THR A 552 -0.764 -6.215 1.523 1.00 0.00 H new ATOM 35 N PRO A 553 -4.631 -7.041 4.974 1.00 0.00 N ATOM 36 CA PRO A 553 -5.451 -7.826 5.920 1.00 0.00 C ATOM 37 C PRO A 553 -5.744 -9.248 5.376 1.00 0.00 C ATOM 38 O PRO A 553 -5.213 -9.654 4.328 1.00 0.00 O ATOM 39 CB PRO A 553 -6.750 -6.974 6.071 1.00 0.00 C ATOM 40 CG PRO A 553 -6.434 -5.652 5.432 1.00 0.00 C ATOM 41 CD PRO A 553 -5.438 -5.969 4.346 1.00 0.00 C ATOM 0 HA PRO A 553 -4.953 -7.997 6.875 1.00 0.00 H new ATOM 0 HB2 PRO A 553 -7.596 -7.456 5.580 1.00 0.00 H new ATOM 0 HB3 PRO A 553 -7.019 -6.849 7.120 1.00 0.00 H new ATOM 0 HG2 PRO A 553 -7.331 -5.188 5.021 1.00 0.00 H new ATOM 0 HG3 PRO A 553 -6.017 -4.953 6.157 1.00 0.00 H new ATOM 0 HD2 PRO A 553 -5.925 -6.307 3.431 1.00 0.00 H new ATOM 0 HD3 PRO A 553 -4.832 -5.102 4.083 1.00 0.00 H new ATOM 49 N TRP A 554 -6.592 -9.992 6.095 1.00 0.00 N ATOM 50 CA TRP A 554 -6.955 -11.366 5.736 1.00 0.00 C ATOM 51 C TRP A 554 -7.874 -11.396 4.512 1.00 0.00 C ATOM 52 O TRP A 554 -9.043 -10.982 4.578 1.00 0.00 O ATOM 53 CB TRP A 554 -7.606 -12.084 6.942 1.00 0.00 C ATOM 54 CG TRP A 554 -6.609 -12.450 8.005 1.00 0.00 C ATOM 55 CD1 TRP A 554 -6.205 -11.702 9.073 1.00 0.00 C ATOM 56 CD2 TRP A 554 -5.858 -13.664 8.059 1.00 0.00 C ATOM 57 NE1 TRP A 554 -5.265 -12.392 9.792 1.00 0.00 N ATOM 58 CE2 TRP A 554 -5.033 -13.595 9.177 1.00 0.00 C ATOM 59 CE3 TRP A 554 -5.823 -14.805 7.257 1.00 0.00 C ATOM 60 CZ2 TRP A 554 -4.165 -14.622 9.515 1.00 0.00 C ATOM 61 CZ3 TRP A 554 -4.964 -15.825 7.600 1.00 0.00 C ATOM 62 CH2 TRP A 554 -4.143 -15.727 8.719 1.00 0.00 C ATOM 0 H TRP A 554 -7.047 -9.657 6.944 1.00 0.00 H new ATOM 0 HA TRP A 554 -6.043 -11.901 5.471 1.00 0.00 H new ATOM 0 HB2 TRP A 554 -8.371 -11.439 7.374 1.00 0.00 H new ATOM 0 HB3 TRP A 554 -8.109 -12.987 6.594 1.00 0.00 H new ATOM 0 HD1 TRP A 554 -6.571 -10.715 9.315 1.00 0.00 H new ATOM 0 HE1 TRP A 554 -4.812 -12.064 10.645 1.00 0.00 H new ATOM 0 HE3 TRP A 554 -6.456 -14.886 6.386 1.00 0.00 H new ATOM 0 HZ2 TRP A 554 -3.526 -14.548 10.383 1.00 0.00 H new ATOM 0 HZ3 TRP A 554 -4.927 -16.716 6.990 1.00 0.00 H new ATOM 0 HH2 TRP A 554 -3.476 -16.542 8.961 1.00 0.00 H new ATOM 73 N THR A 555 -7.305 -11.859 3.393 1.00 0.00 N ATOM 74 CA THR A 555 -8.054 -12.154 2.168 1.00 0.00 C ATOM 75 C THR A 555 -8.838 -13.474 2.339 1.00 0.00 C ATOM 76 O THR A 555 -8.559 -14.244 3.269 1.00 0.00 O ATOM 77 CB THR A 555 -7.092 -12.245 0.947 1.00 0.00 C ATOM 78 OG1 THR A 555 -6.080 -13.230 1.199 1.00 0.00 O ATOM 79 CG2 THR A 555 -6.430 -10.886 0.630 1.00 0.00 C ATOM 0 H THR A 555 -6.305 -12.041 3.312 1.00 0.00 H new ATOM 0 HA THR A 555 -8.760 -11.345 1.983 1.00 0.00 H new ATOM 0 HB THR A 555 -7.685 -12.534 0.080 1.00 0.00 H new ATOM 0 HG1 THR A 555 -5.478 -13.285 0.428 1.00 0.00 H new ATOM 0 HG21 THR A 555 -5.767 -10.996 -0.228 1.00 0.00 H new ATOM 0 HG22 THR A 555 -7.201 -10.150 0.402 1.00 0.00 H new ATOM 0 HG23 THR A 555 -5.854 -10.552 1.493 1.00 0.00 H new ATOM 87 N THR A 556 -9.791 -13.735 1.433 1.00 0.00 N ATOM 88 CA THR A 556 -10.700 -14.889 1.541 1.00 0.00 C ATOM 89 C THR A 556 -9.919 -16.227 1.462 1.00 0.00 C ATOM 90 O THR A 556 -10.232 -17.171 2.190 1.00 0.00 O ATOM 91 CB THR A 556 -11.788 -14.827 0.423 1.00 0.00 C ATOM 92 OG1 THR A 556 -12.277 -13.475 0.288 1.00 0.00 O ATOM 93 CG2 THR A 556 -12.977 -15.769 0.706 1.00 0.00 C ATOM 0 H THR A 556 -9.954 -13.157 0.609 1.00 0.00 H new ATOM 0 HA THR A 556 -11.190 -14.843 2.513 1.00 0.00 H new ATOM 0 HB THR A 556 -11.315 -15.155 -0.502 1.00 0.00 H new ATOM 0 HG1 THR A 556 -12.958 -13.442 -0.416 1.00 0.00 H new ATOM 0 HG21 THR A 556 -13.705 -15.688 -0.101 1.00 0.00 H new ATOM 0 HG22 THR A 556 -12.620 -16.797 0.771 1.00 0.00 H new ATOM 0 HG23 THR A 556 -13.447 -15.488 1.649 1.00 0.00 H new ATOM 101 N GLU A 557 -8.878 -16.267 0.599 1.00 0.00 N ATOM 102 CA GLU A 557 -8.015 -17.457 0.423 1.00 0.00 C ATOM 103 C GLU A 557 -7.233 -17.775 1.712 1.00 0.00 C ATOM 104 O GLU A 557 -7.289 -18.904 2.208 1.00 0.00 O ATOM 105 CB GLU A 557 -7.048 -17.272 -0.784 1.00 0.00 C ATOM 106 CG GLU A 557 -6.169 -16.000 -0.736 1.00 0.00 C ATOM 107 CD GLU A 557 -5.267 -15.831 -1.964 1.00 0.00 C ATOM 108 OE1 GLU A 557 -5.765 -15.401 -3.029 1.00 0.00 O ATOM 109 OE2 GLU A 557 -4.056 -16.129 -1.883 1.00 0.00 O ATOM 0 H GLU A 557 -8.614 -15.479 0.008 1.00 0.00 H new ATOM 0 HA GLU A 557 -8.663 -18.307 0.209 1.00 0.00 H new ATOM 0 HB2 GLU A 557 -6.395 -18.143 -0.843 1.00 0.00 H new ATOM 0 HB3 GLU A 557 -7.637 -17.253 -1.701 1.00 0.00 H new ATOM 0 HG2 GLU A 557 -6.814 -15.126 -0.646 1.00 0.00 H new ATOM 0 HG3 GLU A 557 -5.548 -16.031 0.159 1.00 0.00 H new ATOM 116 N GLU A 558 -6.571 -16.745 2.273 1.00 0.00 N ATOM 117 CA GLU A 558 -5.726 -16.873 3.471 1.00 0.00 C ATOM 118 C GLU A 558 -6.573 -17.263 4.689 1.00 0.00 C ATOM 119 O GLU A 558 -6.124 -18.018 5.552 1.00 0.00 O ATOM 120 CB GLU A 558 -4.987 -15.533 3.749 1.00 0.00 C ATOM 121 CG GLU A 558 -3.941 -15.145 2.689 1.00 0.00 C ATOM 122 CD GLU A 558 -2.698 -16.051 2.708 1.00 0.00 C ATOM 123 OE1 GLU A 558 -1.739 -15.724 3.439 1.00 0.00 O ATOM 124 OE2 GLU A 558 -2.670 -17.071 1.992 1.00 0.00 O ATOM 0 H GLU A 558 -6.609 -15.795 1.903 1.00 0.00 H new ATOM 0 HA GLU A 558 -4.990 -17.657 3.292 1.00 0.00 H new ATOM 0 HB2 GLU A 558 -5.725 -14.734 3.821 1.00 0.00 H new ATOM 0 HB3 GLU A 558 -4.494 -15.600 4.719 1.00 0.00 H new ATOM 0 HG2 GLU A 558 -4.400 -15.189 1.701 1.00 0.00 H new ATOM 0 HG3 GLU A 558 -3.633 -14.112 2.852 1.00 0.00 H new ATOM 131 N GLN A 559 -7.809 -16.726 4.729 1.00 0.00 N ATOM 132 CA GLN A 559 -8.772 -16.981 5.813 1.00 0.00 C ATOM 133 C GLN A 559 -9.168 -18.473 5.814 1.00 0.00 C ATOM 134 O GLN A 559 -9.221 -19.101 6.867 1.00 0.00 O ATOM 135 CB GLN A 559 -10.014 -16.044 5.650 1.00 0.00 C ATOM 136 CG GLN A 559 -10.922 -15.904 6.900 1.00 0.00 C ATOM 137 CD GLN A 559 -11.835 -17.110 7.182 1.00 0.00 C ATOM 138 OE1 GLN A 559 -12.275 -17.800 6.265 1.00 0.00 O ATOM 139 NE2 GLN A 559 -12.112 -17.370 8.453 1.00 0.00 N ATOM 0 H GLN A 559 -8.166 -16.101 4.006 1.00 0.00 H new ATOM 0 HA GLN A 559 -8.317 -16.758 6.778 1.00 0.00 H new ATOM 0 HB2 GLN A 559 -9.662 -15.052 5.367 1.00 0.00 H new ATOM 0 HB3 GLN A 559 -10.620 -16.416 4.824 1.00 0.00 H new ATOM 0 HG2 GLN A 559 -10.290 -15.735 7.772 1.00 0.00 H new ATOM 0 HG3 GLN A 559 -11.544 -15.017 6.780 1.00 0.00 H new ATOM 0 HE21 GLN A 559 -11.730 -16.777 9.190 1.00 0.00 H new ATOM 0 HE22 GLN A 559 -12.707 -18.163 8.693 1.00 0.00 H new ATOM 148 N LYS A 560 -9.414 -19.023 4.610 1.00 0.00 N ATOM 149 CA LYS A 560 -9.753 -20.456 4.417 1.00 0.00 C ATOM 150 C LYS A 560 -8.553 -21.369 4.743 1.00 0.00 C ATOM 151 O LYS A 560 -8.733 -22.479 5.256 1.00 0.00 O ATOM 152 CB LYS A 560 -10.239 -20.701 2.962 1.00 0.00 C ATOM 153 CG LYS A 560 -11.594 -20.042 2.619 1.00 0.00 C ATOM 154 CD LYS A 560 -11.930 -20.120 1.111 1.00 0.00 C ATOM 155 CE LYS A 560 -13.317 -19.538 0.783 1.00 0.00 C ATOM 156 NZ LYS A 560 -13.598 -19.573 -0.674 1.00 0.00 N ATOM 0 H LYS A 560 -9.385 -18.491 3.740 1.00 0.00 H new ATOM 0 HA LYS A 560 -10.558 -20.706 5.108 1.00 0.00 H new ATOM 0 HB2 LYS A 560 -9.483 -20.327 2.272 1.00 0.00 H new ATOM 0 HB3 LYS A 560 -10.319 -21.775 2.795 1.00 0.00 H new ATOM 0 HG2 LYS A 560 -12.385 -20.529 3.189 1.00 0.00 H new ATOM 0 HG3 LYS A 560 -11.574 -18.997 2.929 1.00 0.00 H new ATOM 0 HD2 LYS A 560 -11.171 -19.581 0.545 1.00 0.00 H new ATOM 0 HD3 LYS A 560 -11.890 -21.160 0.787 1.00 0.00 H new ATOM 0 HE2 LYS A 560 -14.083 -20.102 1.315 1.00 0.00 H new ATOM 0 HE3 LYS A 560 -13.373 -18.510 1.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 560 -14.541 -19.173 -0.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 560 -12.881 -19.014 -1.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 560 -13.569 -20.557 -1.010 1.00 0.00 H new ATOM 170 N LEU A 561 -7.336 -20.876 4.443 1.00 0.00 N ATOM 171 CA LEU A 561 -6.081 -21.582 4.754 1.00 0.00 C ATOM 172 C LEU A 561 -5.838 -21.583 6.277 1.00 0.00 C ATOM 173 O LEU A 561 -5.205 -22.502 6.807 1.00 0.00 O ATOM 174 CB LEU A 561 -4.891 -20.932 3.999 1.00 0.00 C ATOM 175 CG LEU A 561 -4.931 -21.029 2.442 1.00 0.00 C ATOM 176 CD1 LEU A 561 -3.735 -20.305 1.801 1.00 0.00 C ATOM 177 CD2 LEU A 561 -5.012 -22.493 1.975 1.00 0.00 C ATOM 0 H LEU A 561 -7.197 -19.978 3.979 1.00 0.00 H new ATOM 0 HA LEU A 561 -6.164 -22.616 4.420 1.00 0.00 H new ATOM 0 HB2 LEU A 561 -4.843 -19.879 4.276 1.00 0.00 H new ATOM 0 HB3 LEU A 561 -3.969 -21.396 4.348 1.00 0.00 H new ATOM 0 HG LEU A 561 -5.837 -20.524 2.107 1.00 0.00 H new ATOM 0 HD11 LEU A 561 -3.795 -20.393 0.716 1.00 0.00 H new ATOM 0 HD12 LEU A 561 -3.754 -19.252 2.081 1.00 0.00 H new ATOM 0 HD13 LEU A 561 -2.806 -20.756 2.151 1.00 0.00 H new ATOM 0 HD21 LEU A 561 -5.038 -22.527 0.886 1.00 0.00 H new ATOM 0 HD22 LEU A 561 -4.139 -23.038 2.334 1.00 0.00 H new ATOM 0 HD23 LEU A 561 -5.916 -22.953 2.374 1.00 0.00 H new ATOM 189 N LEU A 562 -6.336 -20.532 6.961 1.00 0.00 N ATOM 190 CA LEU A 562 -6.303 -20.441 8.433 1.00 0.00 C ATOM 191 C LEU A 562 -7.349 -21.389 9.045 1.00 0.00 C ATOM 192 O LEU A 562 -7.053 -22.074 10.019 1.00 0.00 O ATOM 193 CB LEU A 562 -6.540 -18.978 8.916 1.00 0.00 C ATOM 194 CG LEU A 562 -6.480 -18.747 10.466 1.00 0.00 C ATOM 195 CD1 LEU A 562 -5.099 -19.118 11.051 1.00 0.00 C ATOM 196 CD2 LEU A 562 -6.881 -17.302 10.829 1.00 0.00 C ATOM 0 H LEU A 562 -6.770 -19.727 6.510 1.00 0.00 H new ATOM 0 HA LEU A 562 -5.312 -20.744 8.770 1.00 0.00 H new ATOM 0 HB2 LEU A 562 -5.796 -18.336 8.444 1.00 0.00 H new ATOM 0 HB3 LEU A 562 -7.516 -18.652 8.558 1.00 0.00 H new ATOM 0 HG LEU A 562 -7.208 -19.418 10.923 1.00 0.00 H new ATOM 0 HD11 LEU A 562 -5.101 -18.943 12.127 1.00 0.00 H new ATOM 0 HD12 LEU A 562 -4.891 -20.170 10.855 1.00 0.00 H new ATOM 0 HD13 LEU A 562 -4.329 -18.503 10.585 1.00 0.00 H new ATOM 0 HD21 LEU A 562 -6.830 -17.171 11.910 1.00 0.00 H new ATOM 0 HD22 LEU A 562 -6.198 -16.603 10.346 1.00 0.00 H new ATOM 0 HD23 LEU A 562 -7.898 -17.110 10.488 1.00 0.00 H new ATOM 208 N GLU A 563 -8.556 -21.442 8.436 1.00 0.00 N ATOM 209 CA GLU A 563 -9.673 -22.299 8.901 1.00 0.00 C ATOM 210 C GLU A 563 -9.248 -23.772 8.966 1.00 0.00 C ATOM 211 O GLU A 563 -9.260 -24.370 10.038 1.00 0.00 O ATOM 212 CB GLU A 563 -10.919 -22.158 7.977 1.00 0.00 C ATOM 213 CG GLU A 563 -11.674 -20.828 8.103 1.00 0.00 C ATOM 214 CD GLU A 563 -12.229 -20.595 9.518 1.00 0.00 C ATOM 215 OE1 GLU A 563 -13.192 -21.294 9.908 1.00 0.00 O ATOM 216 OE2 GLU A 563 -11.711 -19.726 10.250 1.00 0.00 O ATOM 0 H GLU A 563 -8.784 -20.892 7.608 1.00 0.00 H new ATOM 0 HA GLU A 563 -9.940 -21.961 9.902 1.00 0.00 H new ATOM 0 HB2 GLU A 563 -10.600 -22.281 6.942 1.00 0.00 H new ATOM 0 HB3 GLU A 563 -11.609 -22.972 8.197 1.00 0.00 H new ATOM 0 HG2 GLU A 563 -11.005 -20.009 7.839 1.00 0.00 H new ATOM 0 HG3 GLU A 563 -12.496 -20.812 7.387 1.00 0.00 H new ATOM 223 N GLN A 564 -8.810 -24.317 7.811 1.00 0.00 N ATOM 224 CA GLN A 564 -8.387 -25.734 7.693 1.00 0.00 C ATOM 225 C GLN A 564 -7.234 -26.045 8.665 1.00 0.00 C ATOM 226 O GLN A 564 -7.118 -27.160 9.157 1.00 0.00 O ATOM 227 CB GLN A 564 -7.981 -26.055 6.226 1.00 0.00 C ATOM 228 CG GLN A 564 -6.760 -25.259 5.711 1.00 0.00 C ATOM 229 CD GLN A 564 -6.411 -25.557 4.249 1.00 0.00 C ATOM 230 OE1 GLN A 564 -6.993 -24.808 3.328 1.00 0.00 O flip ATOM 231 NE2 GLN A 564 -5.619 -26.451 3.951 1.00 0.00 N flip ATOM 0 H GLN A 564 -8.739 -23.794 6.938 1.00 0.00 H new ATOM 0 HA GLN A 564 -9.230 -26.370 7.963 1.00 0.00 H new ATOM 0 HB2 GLN A 564 -7.764 -27.120 6.147 1.00 0.00 H new ATOM 0 HB3 GLN A 564 -8.831 -25.854 5.574 1.00 0.00 H new ATOM 0 HG2 GLN A 564 -6.959 -24.193 5.819 1.00 0.00 H new ATOM 0 HG3 GLN A 564 -5.897 -25.487 6.336 1.00 0.00 H new ATOM 0 HE21 GLN A 564 -5.185 -27.013 4.683 1.00 0.00 H new ATOM 0 HE22 GLN A 564 -5.397 -26.630 2.972 1.00 0.00 H new ATOM 240 N ALA A 565 -6.413 -25.024 8.943 1.00 0.00 N ATOM 241 CA ALA A 565 -5.278 -25.134 9.861 1.00 0.00 C ATOM 242 C ALA A 565 -5.749 -25.193 11.335 1.00 0.00 C ATOM 243 O ALA A 565 -5.235 -25.979 12.125 1.00 0.00 O ATOM 244 CB ALA A 565 -4.332 -23.958 9.630 1.00 0.00 C ATOM 0 H ALA A 565 -6.520 -24.096 8.534 1.00 0.00 H new ATOM 0 HA ALA A 565 -4.748 -26.065 9.661 1.00 0.00 H new ATOM 0 HB1 ALA A 565 -3.484 -24.034 10.311 1.00 0.00 H new ATOM 0 HB2 ALA A 565 -3.974 -23.976 8.601 1.00 0.00 H new ATOM 0 HB3 ALA A 565 -4.862 -23.023 9.813 1.00 0.00 H new ATOM 250 N LEU A 566 -6.757 -24.372 11.684 1.00 0.00 N ATOM 251 CA LEU A 566 -7.338 -24.332 13.044 1.00 0.00 C ATOM 252 C LEU A 566 -8.127 -25.628 13.326 1.00 0.00 C ATOM 253 O LEU A 566 -8.230 -26.064 14.477 1.00 0.00 O ATOM 254 CB LEU A 566 -8.260 -23.089 13.212 1.00 0.00 C ATOM 255 CG LEU A 566 -7.579 -21.687 13.070 1.00 0.00 C ATOM 256 CD1 LEU A 566 -8.611 -20.544 13.146 1.00 0.00 C ATOM 257 CD2 LEU A 566 -6.455 -21.493 14.103 1.00 0.00 C ATOM 0 H LEU A 566 -7.193 -23.718 11.034 1.00 0.00 H new ATOM 0 HA LEU A 566 -6.524 -24.254 13.764 1.00 0.00 H new ATOM 0 HB2 LEU A 566 -9.060 -23.156 12.474 1.00 0.00 H new ATOM 0 HB3 LEU A 566 -8.728 -23.142 14.195 1.00 0.00 H new ATOM 0 HG LEU A 566 -7.123 -21.652 12.081 1.00 0.00 H new ATOM 0 HD11 LEU A 566 -8.101 -19.586 13.044 1.00 0.00 H new ATOM 0 HD12 LEU A 566 -9.338 -20.656 12.342 1.00 0.00 H new ATOM 0 HD13 LEU A 566 -9.125 -20.581 14.107 1.00 0.00 H new ATOM 0 HD21 LEU A 566 -6.007 -20.508 13.972 1.00 0.00 H new ATOM 0 HD22 LEU A 566 -6.867 -21.574 15.109 1.00 0.00 H new ATOM 0 HD23 LEU A 566 -5.694 -22.260 13.961 1.00 0.00 H new ATOM 269 N LYS A 567 -8.673 -26.233 12.244 1.00 0.00 N ATOM 270 CA LYS A 567 -9.452 -27.486 12.310 1.00 0.00 C ATOM 271 C LYS A 567 -8.513 -28.709 12.426 1.00 0.00 C ATOM 272 O LYS A 567 -8.778 -29.632 13.207 1.00 0.00 O ATOM 273 CB LYS A 567 -10.365 -27.638 11.057 1.00 0.00 C ATOM 274 CG LYS A 567 -11.381 -26.498 10.821 1.00 0.00 C ATOM 275 CD LYS A 567 -12.396 -26.323 11.971 1.00 0.00 C ATOM 276 CE LYS A 567 -13.386 -25.168 11.712 1.00 0.00 C ATOM 277 NZ LYS A 567 -14.391 -25.047 12.795 1.00 0.00 N ATOM 0 H LYS A 567 -8.583 -25.861 11.298 1.00 0.00 H new ATOM 0 HA LYS A 567 -10.082 -27.440 13.198 1.00 0.00 H new ATOM 0 HB2 LYS A 567 -9.729 -27.720 10.176 1.00 0.00 H new ATOM 0 HB3 LYS A 567 -10.914 -28.576 11.143 1.00 0.00 H new ATOM 0 HG2 LYS A 567 -10.838 -25.563 10.682 1.00 0.00 H new ATOM 0 HG3 LYS A 567 -11.924 -26.693 9.896 1.00 0.00 H new ATOM 0 HD2 LYS A 567 -12.952 -27.251 12.106 1.00 0.00 H new ATOM 0 HD3 LYS A 567 -11.859 -26.136 12.901 1.00 0.00 H new ATOM 0 HE2 LYS A 567 -12.835 -24.232 11.622 1.00 0.00 H new ATOM 0 HE3 LYS A 567 -13.894 -25.332 10.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 567 -15.037 -24.260 12.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 567 -14.934 -25.931 12.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 567 -13.908 -24.865 13.698 1.00 0.00 H new ATOM 291 N THR A 568 -7.416 -28.700 11.641 1.00 0.00 N ATOM 292 CA THR A 568 -6.451 -29.824 11.591 1.00 0.00 C ATOM 293 C THR A 568 -5.588 -29.872 12.868 1.00 0.00 C ATOM 294 O THR A 568 -5.550 -30.898 13.566 1.00 0.00 O ATOM 295 CB THR A 568 -5.536 -29.733 10.317 1.00 0.00 C ATOM 296 OG1 THR A 568 -6.339 -29.812 9.123 1.00 0.00 O ATOM 297 CG2 THR A 568 -4.474 -30.846 10.266 1.00 0.00 C ATOM 0 H THR A 568 -7.173 -27.922 11.028 1.00 0.00 H new ATOM 0 HA THR A 568 -7.028 -30.747 11.531 1.00 0.00 H new ATOM 0 HB THR A 568 -5.020 -28.774 10.375 1.00 0.00 H new ATOM 0 HG1 THR A 568 -6.735 -28.935 8.937 1.00 0.00 H new ATOM 0 HG21 THR A 568 -3.871 -30.733 9.365 1.00 0.00 H new ATOM 0 HG22 THR A 568 -3.831 -30.776 11.143 1.00 0.00 H new ATOM 0 HG23 THR A 568 -4.966 -31.818 10.254 1.00 0.00 H new ATOM 305 N TYR A 569 -4.936 -28.749 13.193 1.00 0.00 N ATOM 306 CA TYR A 569 -4.007 -28.674 14.338 1.00 0.00 C ATOM 307 C TYR A 569 -4.819 -28.443 15.630 1.00 0.00 C ATOM 308 O TYR A 569 -5.907 -27.849 15.570 1.00 0.00 O ATOM 309 CB TYR A 569 -2.964 -27.539 14.127 1.00 0.00 C ATOM 310 CG TYR A 569 -2.299 -27.569 12.749 1.00 0.00 C ATOM 311 CD1 TYR A 569 -1.745 -28.742 12.234 1.00 0.00 C ATOM 312 CD2 TYR A 569 -2.250 -26.429 11.957 1.00 0.00 C ATOM 313 CE1 TYR A 569 -1.169 -28.770 10.982 1.00 0.00 C ATOM 314 CE2 TYR A 569 -1.681 -26.451 10.702 1.00 0.00 C ATOM 315 CZ TYR A 569 -1.142 -27.621 10.218 1.00 0.00 C ATOM 316 OH TYR A 569 -0.564 -27.645 8.971 1.00 0.00 O ATOM 0 H TYR A 569 -5.032 -27.873 12.679 1.00 0.00 H new ATOM 0 HA TYR A 569 -3.458 -29.612 14.422 1.00 0.00 H new ATOM 0 HB2 TYR A 569 -3.455 -26.575 14.264 1.00 0.00 H new ATOM 0 HB3 TYR A 569 -2.194 -27.616 14.895 1.00 0.00 H new ATOM 0 HD1 TYR A 569 -1.768 -29.644 12.827 1.00 0.00 H new ATOM 0 HD2 TYR A 569 -2.667 -25.506 12.333 1.00 0.00 H new ATOM 0 HE1 TYR A 569 -0.741 -29.686 10.601 1.00 0.00 H new ATOM 0 HE2 TYR A 569 -1.658 -25.554 10.101 1.00 0.00 H new ATOM 0 HH TYR A 569 -0.628 -26.756 8.563 1.00 0.00 H new ATOM 326 N PRO A 570 -4.364 -28.997 16.799 1.00 0.00 N ATOM 327 CA PRO A 570 -4.906 -28.642 18.140 1.00 0.00 C ATOM 328 C PRO A 570 -4.284 -27.363 18.730 1.00 0.00 C ATOM 329 O PRO A 570 -3.201 -26.940 18.320 1.00 0.00 O ATOM 330 CB PRO A 570 -4.576 -29.902 19.015 1.00 0.00 C ATOM 331 CG PRO A 570 -3.922 -30.896 18.081 1.00 0.00 C ATOM 332 CD PRO A 570 -3.381 -30.098 16.914 1.00 0.00 C ATOM 0 HA PRO A 570 -5.971 -28.413 18.096 1.00 0.00 H new ATOM 0 HB2 PRO A 570 -3.910 -29.642 19.838 1.00 0.00 H new ATOM 0 HB3 PRO A 570 -5.481 -30.319 19.457 1.00 0.00 H new ATOM 0 HG2 PRO A 570 -3.121 -31.435 18.587 1.00 0.00 H new ATOM 0 HG3 PRO A 570 -4.642 -31.641 17.741 1.00 0.00 H new ATOM 0 HD2 PRO A 570 -2.375 -29.726 17.108 1.00 0.00 H new ATOM 0 HD3 PRO A 570 -3.330 -30.694 16.003 1.00 0.00 H new ATOM 340 N VAL A 571 -5.012 -26.738 19.674 1.00 0.00 N ATOM 341 CA VAL A 571 -4.598 -25.467 20.299 1.00 0.00 C ATOM 342 C VAL A 571 -3.526 -25.694 21.390 1.00 0.00 C ATOM 343 O VAL A 571 -2.788 -24.773 21.758 1.00 0.00 O ATOM 344 CB VAL A 571 -5.846 -24.707 20.878 1.00 0.00 C ATOM 345 CG1 VAL A 571 -6.490 -25.462 22.075 1.00 0.00 C ATOM 346 CG2 VAL A 571 -5.495 -23.243 21.250 1.00 0.00 C ATOM 0 H VAL A 571 -5.900 -27.098 20.024 1.00 0.00 H new ATOM 0 HA VAL A 571 -4.145 -24.844 19.527 1.00 0.00 H new ATOM 0 HB VAL A 571 -6.594 -24.676 20.086 1.00 0.00 H new ATOM 0 HG11 VAL A 571 -7.348 -24.899 22.441 1.00 0.00 H new ATOM 0 HG12 VAL A 571 -6.817 -26.450 21.749 1.00 0.00 H new ATOM 0 HG13 VAL A 571 -5.757 -25.568 22.875 1.00 0.00 H new ATOM 0 HG21 VAL A 571 -6.380 -22.746 21.647 1.00 0.00 H new ATOM 0 HG22 VAL A 571 -4.707 -23.238 22.003 1.00 0.00 H new ATOM 0 HG23 VAL A 571 -5.150 -22.714 20.361 1.00 0.00 H new ATOM 356 N ASN A 572 -3.442 -26.938 21.886 1.00 0.00 N ATOM 357 CA ASN A 572 -2.459 -27.342 22.919 1.00 0.00 C ATOM 358 C ASN A 572 -1.065 -27.595 22.306 1.00 0.00 C ATOM 359 O ASN A 572 -0.095 -27.807 23.041 1.00 0.00 O ATOM 360 CB ASN A 572 -2.946 -28.607 23.672 1.00 0.00 C ATOM 361 CG ASN A 572 -4.266 -28.384 24.406 1.00 0.00 C ATOM 362 OD1 ASN A 572 -5.341 -28.605 23.849 1.00 0.00 O ATOM 363 ND2 ASN A 572 -4.200 -27.907 25.649 1.00 0.00 N ATOM 0 H ASN A 572 -4.052 -27.698 21.585 1.00 0.00 H new ATOM 0 HA ASN A 572 -2.372 -26.518 23.628 1.00 0.00 H new ATOM 0 HB2 ASN A 572 -3.064 -29.425 22.961 1.00 0.00 H new ATOM 0 HB3 ASN A 572 -2.184 -28.914 24.388 1.00 0.00 H new ATOM 0 HD21 ASN A 572 -5.057 -27.714 26.167 1.00 0.00 H new ATOM 0 HD22 ASN A 572 -3.293 -27.735 26.082 1.00 0.00 H new ATOM 370 N THR A 573 -0.988 -27.582 20.965 1.00 0.00 N ATOM 371 CA THR A 573 0.262 -27.797 20.222 1.00 0.00 C ATOM 372 C THR A 573 1.162 -26.531 20.309 1.00 0.00 C ATOM 373 O THR A 573 0.729 -25.448 19.910 1.00 0.00 O ATOM 374 CB THR A 573 -0.075 -28.132 18.728 1.00 0.00 C ATOM 375 OG1 THR A 573 -1.013 -29.216 18.691 1.00 0.00 O ATOM 376 CG2 THR A 573 1.175 -28.499 17.899 1.00 0.00 C ATOM 0 H THR A 573 -1.796 -27.421 20.364 1.00 0.00 H new ATOM 0 HA THR A 573 0.807 -28.633 20.661 1.00 0.00 H new ATOM 0 HB THR A 573 -0.501 -27.235 18.279 1.00 0.00 H new ATOM 0 HG1 THR A 573 -0.571 -30.019 18.344 1.00 0.00 H new ATOM 0 HG21 THR A 573 0.879 -28.721 16.874 1.00 0.00 H new ATOM 0 HG22 THR A 573 1.873 -27.661 17.902 1.00 0.00 H new ATOM 0 HG23 THR A 573 1.657 -29.374 18.335 1.00 0.00 H new ATOM 384 N PRO A 574 2.429 -26.647 20.830 1.00 0.00 N ATOM 385 CA PRO A 574 3.384 -25.495 20.900 1.00 0.00 C ATOM 386 C PRO A 574 3.875 -25.049 19.496 1.00 0.00 C ATOM 387 O PRO A 574 4.344 -23.920 19.318 1.00 0.00 O ATOM 388 CB PRO A 574 4.542 -26.052 21.767 1.00 0.00 C ATOM 389 CG PRO A 574 4.503 -27.534 21.529 1.00 0.00 C ATOM 390 CD PRO A 574 3.038 -27.892 21.389 1.00 0.00 C ATOM 0 HA PRO A 574 2.929 -24.597 21.318 1.00 0.00 H new ATOM 0 HB2 PRO A 574 5.501 -25.627 21.471 1.00 0.00 H new ATOM 0 HB3 PRO A 574 4.400 -25.814 22.821 1.00 0.00 H new ATOM 0 HG2 PRO A 574 5.058 -27.800 20.629 1.00 0.00 H new ATOM 0 HG3 PRO A 574 4.960 -28.075 22.357 1.00 0.00 H new ATOM 0 HD2 PRO A 574 2.894 -28.743 20.724 1.00 0.00 H new ATOM 0 HD3 PRO A 574 2.596 -28.159 22.349 1.00 0.00 H new ATOM 398 N GLU A 575 3.750 -25.947 18.504 1.00 0.00 N ATOM 399 CA GLU A 575 4.127 -25.676 17.100 1.00 0.00 C ATOM 400 C GLU A 575 2.881 -25.554 16.198 1.00 0.00 C ATOM 401 O GLU A 575 2.989 -25.692 14.979 1.00 0.00 O ATOM 402 CB GLU A 575 5.120 -26.763 16.593 1.00 0.00 C ATOM 403 CG GLU A 575 4.710 -28.216 16.897 1.00 0.00 C ATOM 404 CD GLU A 575 5.802 -29.237 16.519 1.00 0.00 C ATOM 405 OE1 GLU A 575 5.834 -29.692 15.358 1.00 0.00 O ATOM 406 OE2 GLU A 575 6.629 -29.595 17.386 1.00 0.00 O ATOM 0 H GLU A 575 3.383 -26.887 18.651 1.00 0.00 H new ATOM 0 HA GLU A 575 4.637 -24.714 17.053 1.00 0.00 H new ATOM 0 HB2 GLU A 575 5.236 -26.653 15.515 1.00 0.00 H new ATOM 0 HB3 GLU A 575 6.097 -26.577 17.039 1.00 0.00 H new ATOM 0 HG2 GLU A 575 4.483 -28.310 17.959 1.00 0.00 H new ATOM 0 HG3 GLU A 575 3.795 -28.452 16.354 1.00 0.00 H new ATOM 413 N ARG A 576 1.711 -25.238 16.817 1.00 0.00 N ATOM 414 CA ARG A 576 0.420 -25.024 16.092 1.00 0.00 C ATOM 415 C ARG A 576 0.595 -23.971 14.992 1.00 0.00 C ATOM 416 O ARG A 576 0.449 -24.272 13.812 1.00 0.00 O ATOM 417 CB ARG A 576 -0.711 -24.555 17.062 1.00 0.00 C ATOM 418 CG ARG A 576 -2.102 -24.267 16.407 1.00 0.00 C ATOM 419 CD ARG A 576 -3.043 -23.576 17.405 1.00 0.00 C ATOM 420 NE ARG A 576 -4.403 -23.274 16.878 1.00 0.00 N ATOM 421 CZ ARG A 576 -5.373 -24.174 16.626 1.00 0.00 C ATOM 422 NH1 ARG A 576 -5.117 -25.452 16.550 1.00 0.00 N ATOM 423 NH2 ARG A 576 -6.612 -23.772 16.378 1.00 0.00 N ATOM 0 H ARG A 576 1.632 -25.124 17.828 1.00 0.00 H new ATOM 0 HA ARG A 576 0.134 -25.980 15.653 1.00 0.00 H new ATOM 0 HB2 ARG A 576 -0.844 -25.318 17.829 1.00 0.00 H new ATOM 0 HB3 ARG A 576 -0.376 -23.650 17.568 1.00 0.00 H new ATOM 0 HG2 ARG A 576 -1.971 -23.637 15.528 1.00 0.00 H new ATOM 0 HG3 ARG A 576 -2.549 -25.201 16.066 1.00 0.00 H new ATOM 0 HD2 ARG A 576 -3.143 -24.210 18.286 1.00 0.00 H new ATOM 0 HD3 ARG A 576 -2.581 -22.645 17.733 1.00 0.00 H new ATOM 0 HE ARG A 576 -4.620 -22.295 16.691 1.00 0.00 H new ATOM 0 HH11 ARG A 576 -4.164 -25.790 16.683 1.00 0.00 H new ATOM 0 HH12 ARG A 576 -5.870 -26.112 16.358 1.00 0.00 H new ATOM 0 HH21 ARG A 576 -6.835 -22.777 16.377 1.00 0.00 H new ATOM 0 HH22 ARG A 576 -7.342 -24.458 16.188 1.00 0.00 H new ATOM 437 N TRP A 577 0.975 -22.754 15.420 1.00 0.00 N ATOM 438 CA TRP A 577 1.086 -21.575 14.545 1.00 0.00 C ATOM 439 C TRP A 577 2.284 -21.704 13.588 1.00 0.00 C ATOM 440 O TRP A 577 2.250 -21.179 12.478 1.00 0.00 O ATOM 441 CB TRP A 577 1.166 -20.286 15.409 1.00 0.00 C ATOM 442 CG TRP A 577 0.039 -20.183 16.426 1.00 0.00 C ATOM 443 CD1 TRP A 577 0.114 -20.424 17.775 1.00 0.00 C ATOM 444 CD2 TRP A 577 -1.333 -19.858 16.166 1.00 0.00 C ATOM 445 NE1 TRP A 577 -1.111 -20.273 18.354 1.00 0.00 N ATOM 446 CE2 TRP A 577 -2.022 -19.935 17.393 1.00 0.00 C ATOM 447 CE3 TRP A 577 -2.051 -19.517 15.017 1.00 0.00 C ATOM 448 CZ2 TRP A 577 -3.382 -19.676 17.501 1.00 0.00 C ATOM 449 CZ3 TRP A 577 -3.403 -19.266 15.127 1.00 0.00 C ATOM 450 CH2 TRP A 577 -4.056 -19.350 16.359 1.00 0.00 C ATOM 0 H TRP A 577 1.216 -22.560 16.392 1.00 0.00 H new ATOM 0 HA TRP A 577 0.195 -21.510 13.921 1.00 0.00 H new ATOM 0 HB2 TRP A 577 2.123 -20.264 15.931 1.00 0.00 H new ATOM 0 HB3 TRP A 577 1.139 -19.414 14.755 1.00 0.00 H new ATOM 0 HD1 TRP A 577 1.016 -20.695 18.303 1.00 0.00 H new ATOM 0 HE1 TRP A 577 -1.315 -20.393 19.346 1.00 0.00 H new ATOM 0 HE3 TRP A 577 -1.556 -19.451 14.059 1.00 0.00 H new ATOM 0 HZ2 TRP A 577 -3.888 -19.730 18.453 1.00 0.00 H new ATOM 0 HZ3 TRP A 577 -3.967 -19.000 14.245 1.00 0.00 H new ATOM 0 HH2 TRP A 577 -5.117 -19.153 16.409 1.00 0.00 H new ATOM 461 N LYS A 578 3.318 -22.457 14.011 1.00 0.00 N ATOM 462 CA LYS A 578 4.494 -22.750 13.161 1.00 0.00 C ATOM 463 C LYS A 578 4.080 -23.602 11.939 1.00 0.00 C ATOM 464 O LYS A 578 4.619 -23.429 10.846 1.00 0.00 O ATOM 465 CB LYS A 578 5.620 -23.479 13.956 1.00 0.00 C ATOM 466 CG LYS A 578 6.390 -22.617 14.987 1.00 0.00 C ATOM 467 CD LYS A 578 5.574 -22.299 16.264 1.00 0.00 C ATOM 468 CE LYS A 578 6.389 -21.534 17.319 1.00 0.00 C ATOM 469 NZ LYS A 578 5.639 -21.358 18.592 1.00 0.00 N ATOM 0 H LYS A 578 3.365 -22.876 14.940 1.00 0.00 H new ATOM 0 HA LYS A 578 4.890 -21.794 12.819 1.00 0.00 H new ATOM 0 HB2 LYS A 578 5.178 -24.327 14.479 1.00 0.00 H new ATOM 0 HB3 LYS A 578 6.338 -23.884 13.242 1.00 0.00 H new ATOM 0 HG2 LYS A 578 7.305 -23.137 15.271 1.00 0.00 H new ATOM 0 HG3 LYS A 578 6.688 -21.681 14.515 1.00 0.00 H new ATOM 0 HD2 LYS A 578 4.698 -21.711 15.992 1.00 0.00 H new ATOM 0 HD3 LYS A 578 5.210 -23.230 16.698 1.00 0.00 H new ATOM 0 HE2 LYS A 578 7.317 -22.070 17.518 1.00 0.00 H new ATOM 0 HE3 LYS A 578 6.664 -20.556 16.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 578 6.296 -21.073 19.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 578 4.914 -20.623 18.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 578 5.182 -22.255 18.853 1.00 0.00 H new ATOM 483 N LYS A 579 3.129 -24.530 12.150 1.00 0.00 N ATOM 484 CA LYS A 579 2.555 -25.360 11.072 1.00 0.00 C ATOM 485 C LYS A 579 1.552 -24.537 10.242 1.00 0.00 C ATOM 486 O LYS A 579 1.407 -24.749 9.034 1.00 0.00 O ATOM 487 CB LYS A 579 1.853 -26.593 11.673 1.00 0.00 C ATOM 488 CG LYS A 579 2.776 -27.563 12.431 1.00 0.00 C ATOM 489 CD LYS A 579 1.996 -28.738 13.064 1.00 0.00 C ATOM 490 CE LYS A 579 2.900 -29.704 13.851 1.00 0.00 C ATOM 491 NZ LYS A 579 4.001 -30.247 13.008 1.00 0.00 N ATOM 0 H LYS A 579 2.736 -24.726 13.071 1.00 0.00 H new ATOM 0 HA LYS A 579 3.362 -25.693 10.419 1.00 0.00 H new ATOM 0 HB2 LYS A 579 1.072 -26.252 12.353 1.00 0.00 H new ATOM 0 HB3 LYS A 579 1.359 -27.139 10.869 1.00 0.00 H new ATOM 0 HG2 LYS A 579 3.528 -27.955 11.747 1.00 0.00 H new ATOM 0 HG3 LYS A 579 3.308 -27.020 13.212 1.00 0.00 H new ATOM 0 HD2 LYS A 579 1.230 -28.342 13.730 1.00 0.00 H new ATOM 0 HD3 LYS A 579 1.480 -29.290 12.278 1.00 0.00 H new ATOM 0 HE2 LYS A 579 3.324 -29.185 14.711 1.00 0.00 H new ATOM 0 HE3 LYS A 579 2.300 -30.527 14.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 579 4.085 -31.272 13.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 579 3.792 -30.066 12.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 579 4.896 -29.783 13.264 1.00 0.00 H new ATOM 505 N ILE A 580 0.848 -23.607 10.923 1.00 0.00 N ATOM 506 CA ILE A 580 -0.093 -22.654 10.288 1.00 0.00 C ATOM 507 C ILE A 580 0.656 -21.692 9.343 1.00 0.00 C ATOM 508 O ILE A 580 0.077 -21.175 8.393 1.00 0.00 O ATOM 509 CB ILE A 580 -0.947 -21.882 11.379 1.00 0.00 C ATOM 510 CG1 ILE A 580 -1.861 -22.897 12.139 1.00 0.00 C ATOM 511 CG2 ILE A 580 -1.775 -20.719 10.786 1.00 0.00 C ATOM 512 CD1 ILE A 580 -2.806 -22.318 13.173 1.00 0.00 C ATOM 0 H ILE A 580 0.916 -23.494 11.934 1.00 0.00 H new ATOM 0 HA ILE A 580 -0.797 -23.220 9.678 1.00 0.00 H new ATOM 0 HB ILE A 580 -0.250 -21.422 12.080 1.00 0.00 H new ATOM 0 HG12 ILE A 580 -2.453 -23.440 11.402 1.00 0.00 H new ATOM 0 HG13 ILE A 580 -1.221 -23.627 12.634 1.00 0.00 H new ATOM 0 HG21 ILE A 580 -2.337 -20.230 11.582 1.00 0.00 H new ATOM 0 HG22 ILE A 580 -1.105 -19.997 10.318 1.00 0.00 H new ATOM 0 HG23 ILE A 580 -2.467 -21.109 10.039 1.00 0.00 H new ATOM 0 HD11 ILE A 580 -3.384 -23.122 13.629 1.00 0.00 H new ATOM 0 HD12 ILE A 580 -2.232 -21.803 13.943 1.00 0.00 H new ATOM 0 HD13 ILE A 580 -3.483 -21.612 12.692 1.00 0.00 H new ATOM 524 N ALA A 581 1.952 -21.468 9.616 1.00 0.00 N ATOM 525 CA ALA A 581 2.872 -20.782 8.675 1.00 0.00 C ATOM 526 C ALA A 581 2.928 -21.489 7.313 1.00 0.00 C ATOM 527 O ALA A 581 2.886 -20.849 6.264 1.00 0.00 O ATOM 528 CB ALA A 581 4.284 -20.645 9.283 1.00 0.00 C ATOM 0 H ALA A 581 2.396 -21.753 10.489 1.00 0.00 H new ATOM 0 HA ALA A 581 2.474 -19.781 8.506 1.00 0.00 H new ATOM 0 HB1 ALA A 581 4.938 -20.139 8.573 1.00 0.00 H new ATOM 0 HB2 ALA A 581 4.229 -20.064 10.204 1.00 0.00 H new ATOM 0 HB3 ALA A 581 4.683 -21.635 9.502 1.00 0.00 H new ATOM 534 N GLU A 582 2.992 -22.821 7.358 1.00 0.00 N ATOM 535 CA GLU A 582 3.097 -23.671 6.160 1.00 0.00 C ATOM 536 C GLU A 582 1.711 -23.911 5.518 1.00 0.00 C ATOM 537 O GLU A 582 1.610 -24.375 4.374 1.00 0.00 O ATOM 538 CB GLU A 582 3.793 -24.988 6.569 1.00 0.00 C ATOM 539 CG GLU A 582 5.178 -24.766 7.225 1.00 0.00 C ATOM 540 CD GLU A 582 5.857 -26.065 7.679 1.00 0.00 C ATOM 541 OE1 GLU A 582 5.610 -26.515 8.823 1.00 0.00 O ATOM 542 OE2 GLU A 582 6.634 -26.646 6.895 1.00 0.00 O ATOM 0 H GLU A 582 2.973 -23.349 8.231 1.00 0.00 H new ATOM 0 HA GLU A 582 3.694 -23.174 5.395 1.00 0.00 H new ATOM 0 HB2 GLU A 582 3.152 -25.530 7.264 1.00 0.00 H new ATOM 0 HB3 GLU A 582 3.912 -25.618 5.687 1.00 0.00 H new ATOM 0 HG2 GLU A 582 5.829 -24.254 6.516 1.00 0.00 H new ATOM 0 HG3 GLU A 582 5.062 -24.106 8.085 1.00 0.00 H new ATOM 549 N ALA A 583 0.643 -23.588 6.274 1.00 0.00 N ATOM 550 CA ALA A 583 -0.752 -23.615 5.773 1.00 0.00 C ATOM 551 C ALA A 583 -1.147 -22.252 5.155 1.00 0.00 C ATOM 552 O ALA A 583 -1.861 -22.207 4.151 1.00 0.00 O ATOM 553 CB ALA A 583 -1.717 -23.995 6.915 1.00 0.00 C ATOM 0 H ALA A 583 0.720 -23.301 7.250 1.00 0.00 H new ATOM 0 HA ALA A 583 -0.822 -24.369 4.989 1.00 0.00 H new ATOM 0 HB1 ALA A 583 -2.739 -24.012 6.537 1.00 0.00 H new ATOM 0 HB2 ALA A 583 -1.456 -24.981 7.299 1.00 0.00 H new ATOM 0 HB3 ALA A 583 -1.639 -23.261 7.717 1.00 0.00 H new ATOM 559 N VAL A 584 -0.633 -21.155 5.752 1.00 0.00 N ATOM 560 CA VAL A 584 -0.991 -19.759 5.405 1.00 0.00 C ATOM 561 C VAL A 584 0.294 -19.001 4.972 1.00 0.00 C ATOM 562 O VAL A 584 1.061 -18.539 5.837 1.00 0.00 O ATOM 563 CB VAL A 584 -1.660 -19.011 6.624 1.00 0.00 C ATOM 564 CG1 VAL A 584 -2.122 -17.594 6.221 1.00 0.00 C ATOM 565 CG2 VAL A 584 -2.829 -19.820 7.220 1.00 0.00 C ATOM 0 H VAL A 584 0.055 -21.214 6.503 1.00 0.00 H new ATOM 0 HA VAL A 584 -1.714 -19.781 4.590 1.00 0.00 H new ATOM 0 HB VAL A 584 -0.900 -18.914 7.399 1.00 0.00 H new ATOM 0 HG11 VAL A 584 -2.579 -17.102 7.080 1.00 0.00 H new ATOM 0 HG12 VAL A 584 -1.263 -17.013 5.885 1.00 0.00 H new ATOM 0 HG13 VAL A 584 -2.851 -17.665 5.413 1.00 0.00 H new ATOM 0 HG21 VAL A 584 -3.262 -19.271 8.056 1.00 0.00 H new ATOM 0 HG22 VAL A 584 -3.590 -19.977 6.456 1.00 0.00 H new ATOM 0 HG23 VAL A 584 -2.462 -20.785 7.570 1.00 0.00 H new ATOM 575 N PRO A 585 0.590 -18.923 3.640 1.00 0.00 N ATOM 576 CA PRO A 585 1.744 -18.187 3.108 1.00 0.00 C ATOM 577 C PRO A 585 1.386 -16.729 2.705 1.00 0.00 C ATOM 578 O PRO A 585 0.631 -16.487 1.753 1.00 0.00 O ATOM 579 CB PRO A 585 2.144 -19.064 1.894 1.00 0.00 C ATOM 580 CG PRO A 585 0.853 -19.673 1.396 1.00 0.00 C ATOM 581 CD PRO A 585 -0.160 -19.572 2.534 1.00 0.00 C ATOM 0 HA PRO A 585 2.549 -18.050 3.830 1.00 0.00 H new ATOM 0 HB2 PRO A 585 2.621 -18.466 1.118 1.00 0.00 H new ATOM 0 HB3 PRO A 585 2.856 -19.836 2.185 1.00 0.00 H new ATOM 0 HG2 PRO A 585 0.494 -19.145 0.513 1.00 0.00 H new ATOM 0 HG3 PRO A 585 1.004 -20.713 1.106 1.00 0.00 H new ATOM 0 HD2 PRO A 585 -1.028 -18.981 2.242 1.00 0.00 H new ATOM 0 HD3 PRO A 585 -0.528 -20.555 2.827 1.00 0.00 H new ATOM 589 N GLY A 586 1.959 -15.760 3.441 1.00 0.00 N ATOM 590 CA GLY A 586 1.768 -14.332 3.164 1.00 0.00 C ATOM 591 C GLY A 586 1.152 -13.562 4.335 1.00 0.00 C ATOM 592 O GLY A 586 1.512 -12.400 4.572 1.00 0.00 O ATOM 0 H GLY A 586 2.564 -15.947 4.240 1.00 0.00 H new ATOM 0 HA2 GLY A 586 2.730 -13.887 2.912 1.00 0.00 H new ATOM 0 HA3 GLY A 586 1.127 -14.222 2.289 1.00 0.00 H new ATOM 596 N ARG A 587 0.199 -14.190 5.054 1.00 0.00 N ATOM 597 CA ARG A 587 -0.330 -13.625 6.315 1.00 0.00 C ATOM 598 C ARG A 587 0.366 -14.279 7.503 1.00 0.00 C ATOM 599 O ARG A 587 0.432 -15.505 7.611 1.00 0.00 O ATOM 600 CB ARG A 587 -1.872 -13.759 6.414 1.00 0.00 C ATOM 601 CG ARG A 587 -2.681 -12.784 5.515 1.00 0.00 C ATOM 602 CD ARG A 587 -2.449 -11.296 5.872 1.00 0.00 C ATOM 603 NE ARG A 587 -1.104 -10.813 5.487 1.00 0.00 N ATOM 604 CZ ARG A 587 -0.360 -9.932 6.182 1.00 0.00 C ATOM 605 NH1 ARG A 587 -0.826 -9.343 7.274 1.00 0.00 N ATOM 606 NH2 ARG A 587 0.858 -9.649 5.778 1.00 0.00 N ATOM 0 H ARG A 587 -0.218 -15.082 4.787 1.00 0.00 H new ATOM 0 HA ARG A 587 -0.116 -12.556 6.326 1.00 0.00 H new ATOM 0 HB2 ARG A 587 -2.149 -14.781 6.155 1.00 0.00 H new ATOM 0 HB3 ARG A 587 -2.168 -13.602 7.451 1.00 0.00 H new ATOM 0 HG2 ARG A 587 -2.407 -12.948 4.473 1.00 0.00 H new ATOM 0 HG3 ARG A 587 -3.743 -13.012 5.606 1.00 0.00 H new ATOM 0 HD2 ARG A 587 -3.204 -10.687 5.375 1.00 0.00 H new ATOM 0 HD3 ARG A 587 -2.585 -11.160 6.945 1.00 0.00 H new ATOM 0 HE ARG A 587 -0.707 -11.179 4.622 1.00 0.00 H new ATOM 0 HH11 ARG A 587 -1.768 -9.554 7.605 1.00 0.00 H new ATOM 0 HH12 ARG A 587 -0.243 -8.679 7.784 1.00 0.00 H new ATOM 0 HH21 ARG A 587 1.235 -10.096 4.942 1.00 0.00 H new ATOM 0 HH22 ARG A 587 1.427 -8.982 6.300 1.00 0.00 H new ATOM 620 N THR A 588 0.838 -13.420 8.416 1.00 0.00 N ATOM 621 CA THR A 588 1.741 -13.819 9.507 1.00 0.00 C ATOM 622 C THR A 588 0.972 -14.368 10.721 1.00 0.00 C ATOM 623 O THR A 588 -0.238 -14.194 10.838 1.00 0.00 O ATOM 624 CB THR A 588 2.666 -12.627 9.911 1.00 0.00 C ATOM 625 OG1 THR A 588 1.871 -11.485 10.248 1.00 0.00 O ATOM 626 CG2 THR A 588 3.654 -12.247 8.781 1.00 0.00 C ATOM 0 H THR A 588 0.605 -12.427 8.420 1.00 0.00 H new ATOM 0 HA THR A 588 2.367 -14.632 9.139 1.00 0.00 H new ATOM 0 HB THR A 588 3.250 -12.948 10.774 1.00 0.00 H new ATOM 0 HG1 THR A 588 2.457 -10.742 10.502 1.00 0.00 H new ATOM 0 HG21 THR A 588 4.277 -11.414 9.107 1.00 0.00 H new ATOM 0 HG22 THR A 588 4.287 -13.103 8.548 1.00 0.00 H new ATOM 0 HG23 THR A 588 3.095 -11.956 7.892 1.00 0.00 H new ATOM 634 N LYS A 589 1.702 -15.050 11.613 1.00 0.00 N ATOM 635 CA LYS A 589 1.111 -15.831 12.718 1.00 0.00 C ATOM 636 C LYS A 589 0.628 -14.933 13.856 1.00 0.00 C ATOM 637 O LYS A 589 -0.233 -15.338 14.632 1.00 0.00 O ATOM 638 CB LYS A 589 2.110 -16.896 13.214 1.00 0.00 C ATOM 639 CG LYS A 589 2.287 -18.131 12.286 1.00 0.00 C ATOM 640 CD LYS A 589 2.698 -17.807 10.813 1.00 0.00 C ATOM 641 CE LYS A 589 1.512 -17.791 9.811 1.00 0.00 C ATOM 642 NZ LYS A 589 1.968 -17.520 8.422 1.00 0.00 N ATOM 0 H LYS A 589 2.721 -15.079 11.592 1.00 0.00 H new ATOM 0 HA LYS A 589 0.229 -16.344 12.335 1.00 0.00 H new ATOM 0 HB2 LYS A 589 3.082 -16.422 13.349 1.00 0.00 H new ATOM 0 HB3 LYS A 589 1.786 -17.244 14.195 1.00 0.00 H new ATOM 0 HG2 LYS A 589 3.042 -18.786 12.721 1.00 0.00 H new ATOM 0 HG3 LYS A 589 1.351 -18.690 12.270 1.00 0.00 H new ATOM 0 HD2 LYS A 589 3.191 -16.835 10.791 1.00 0.00 H new ATOM 0 HD3 LYS A 589 3.430 -18.544 10.481 1.00 0.00 H new ATOM 0 HE2 LYS A 589 0.995 -18.750 9.844 1.00 0.00 H new ATOM 0 HE3 LYS A 589 0.792 -17.031 10.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 589 1.770 -16.528 8.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 589 2.990 -17.697 8.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 589 1.462 -18.145 7.762 1.00 0.00 H new ATOM 656 N LYS A 590 1.199 -13.724 13.954 1.00 0.00 N ATOM 657 CA LYS A 590 0.659 -12.650 14.816 1.00 0.00 C ATOM 658 C LYS A 590 -0.773 -12.286 14.372 1.00 0.00 C ATOM 659 O LYS A 590 -1.664 -12.113 15.205 1.00 0.00 O ATOM 660 CB LYS A 590 1.604 -11.415 14.789 1.00 0.00 C ATOM 661 CG LYS A 590 2.098 -11.015 13.377 1.00 0.00 C ATOM 662 CD LYS A 590 3.007 -9.768 13.362 1.00 0.00 C ATOM 663 CE LYS A 590 2.241 -8.480 13.696 1.00 0.00 C ATOM 664 NZ LYS A 590 1.144 -8.227 12.724 1.00 0.00 N ATOM 0 H LYS A 590 2.042 -13.459 13.444 1.00 0.00 H new ATOM 0 HA LYS A 590 0.607 -13.003 15.846 1.00 0.00 H new ATOM 0 HB2 LYS A 590 1.084 -10.566 15.232 1.00 0.00 H new ATOM 0 HB3 LYS A 590 2.470 -11.622 15.418 1.00 0.00 H new ATOM 0 HG2 LYS A 590 2.641 -11.854 12.942 1.00 0.00 H new ATOM 0 HG3 LYS A 590 1.234 -10.830 12.739 1.00 0.00 H new ATOM 0 HD2 LYS A 590 3.816 -9.903 14.080 1.00 0.00 H new ATOM 0 HD3 LYS A 590 3.467 -9.669 12.379 1.00 0.00 H new ATOM 0 HE2 LYS A 590 1.827 -8.553 14.702 1.00 0.00 H new ATOM 0 HE3 LYS A 590 2.930 -7.636 13.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 590 1.294 -7.307 12.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 590 1.138 -8.978 12.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 590 0.232 -8.220 13.224 1.00 0.00 H new ATOM 678 N ASP A 591 -0.968 -12.217 13.040 1.00 0.00 N ATOM 679 CA ASP A 591 -2.279 -11.973 12.409 1.00 0.00 C ATOM 680 C ASP A 591 -3.192 -13.200 12.569 1.00 0.00 C ATOM 681 O ASP A 591 -4.408 -13.052 12.650 1.00 0.00 O ATOM 682 CB ASP A 591 -2.114 -11.640 10.897 1.00 0.00 C ATOM 683 CG ASP A 591 -1.488 -10.269 10.612 1.00 0.00 C ATOM 684 OD1 ASP A 591 -0.371 -10.002 11.103 1.00 0.00 O ATOM 685 OD2 ASP A 591 -2.092 -9.466 9.866 1.00 0.00 O ATOM 0 H ASP A 591 -0.211 -12.330 12.366 1.00 0.00 H new ATOM 0 HA ASP A 591 -2.736 -11.119 12.910 1.00 0.00 H new ATOM 0 HB2 ASP A 591 -1.497 -12.410 10.434 1.00 0.00 H new ATOM 0 HB3 ASP A 591 -3.093 -11.685 10.419 1.00 0.00 H new ATOM 690 N CYS A 592 -2.591 -14.417 12.546 1.00 0.00 N ATOM 691 CA CYS A 592 -3.329 -15.694 12.714 1.00 0.00 C ATOM 692 C CYS A 592 -3.913 -15.809 14.124 1.00 0.00 C ATOM 693 O CYS A 592 -5.070 -16.200 14.301 1.00 0.00 O ATOM 694 CB CYS A 592 -2.410 -16.898 12.404 1.00 0.00 C ATOM 695 SG CYS A 592 -1.693 -16.885 10.743 1.00 0.00 S ATOM 0 H CYS A 592 -1.587 -14.540 12.411 1.00 0.00 H new ATOM 0 HA CYS A 592 -4.157 -15.701 12.005 1.00 0.00 H new ATOM 0 HB2 CYS A 592 -1.602 -16.920 13.135 1.00 0.00 H new ATOM 0 HB3 CYS A 592 -2.981 -17.818 12.533 1.00 0.00 H new ATOM 0 HG CYS A 592 -1.158 -15.723 10.510 1.00 0.00 H new ATOM 701 N MET A 593 -3.094 -15.444 15.119 1.00 0.00 N ATOM 702 CA MET A 593 -3.493 -15.426 16.537 1.00 0.00 C ATOM 703 C MET A 593 -4.529 -14.323 16.795 1.00 0.00 C ATOM 704 O MET A 593 -5.455 -14.512 17.583 1.00 0.00 O ATOM 705 CB MET A 593 -2.249 -15.224 17.438 1.00 0.00 C ATOM 706 CG MET A 593 -1.351 -16.456 17.591 1.00 0.00 C ATOM 707 SD MET A 593 0.093 -16.183 18.649 1.00 0.00 S ATOM 708 CE MET A 593 1.303 -15.515 17.504 1.00 0.00 C ATOM 0 H MET A 593 -2.129 -15.151 14.964 1.00 0.00 H new ATOM 0 HA MET A 593 -3.950 -16.385 16.781 1.00 0.00 H new ATOM 0 HB2 MET A 593 -1.653 -14.407 17.030 1.00 0.00 H new ATOM 0 HB3 MET A 593 -2.583 -14.912 18.427 1.00 0.00 H new ATOM 0 HG2 MET A 593 -1.941 -17.275 18.002 1.00 0.00 H new ATOM 0 HG3 MET A 593 -1.012 -16.771 16.604 1.00 0.00 H new ATOM 0 HE1 MET A 593 2.306 -15.685 17.895 1.00 0.00 H new ATOM 0 HE2 MET A 593 1.201 -16.009 16.538 1.00 0.00 H new ATOM 0 HE3 MET A 593 1.137 -14.445 17.383 1.00 0.00 H new ATOM 718 N LYS A 594 -4.343 -13.174 16.115 1.00 0.00 N ATOM 719 CA LYS A 594 -5.265 -12.028 16.201 1.00 0.00 C ATOM 720 C LYS A 594 -6.647 -12.407 15.649 1.00 0.00 C ATOM 721 O LYS A 594 -7.657 -12.189 16.314 1.00 0.00 O ATOM 722 CB LYS A 594 -4.702 -10.797 15.440 1.00 0.00 C ATOM 723 CG LYS A 594 -5.640 -9.568 15.429 1.00 0.00 C ATOM 724 CD LYS A 594 -6.000 -9.041 16.839 1.00 0.00 C ATOM 725 CE LYS A 594 -4.782 -8.517 17.615 1.00 0.00 C ATOM 726 NZ LYS A 594 -4.117 -7.383 16.910 1.00 0.00 N ATOM 0 H LYS A 594 -3.551 -13.016 15.492 1.00 0.00 H new ATOM 0 HA LYS A 594 -5.367 -11.759 17.252 1.00 0.00 H new ATOM 0 HB2 LYS A 594 -3.752 -10.510 15.891 1.00 0.00 H new ATOM 0 HB3 LYS A 594 -4.491 -11.087 14.411 1.00 0.00 H new ATOM 0 HG2 LYS A 594 -5.166 -8.767 14.862 1.00 0.00 H new ATOM 0 HG3 LYS A 594 -6.559 -9.829 14.904 1.00 0.00 H new ATOM 0 HD2 LYS A 594 -6.735 -8.242 16.745 1.00 0.00 H new ATOM 0 HD3 LYS A 594 -6.471 -9.841 17.410 1.00 0.00 H new ATOM 0 HE2 LYS A 594 -5.096 -8.193 18.607 1.00 0.00 H new ATOM 0 HE3 LYS A 594 -4.066 -9.327 17.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 594 -3.387 -6.971 17.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 594 -3.676 -7.729 16.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 594 -4.824 -6.656 16.678 1.00 0.00 H new ATOM 740 N ARG A 595 -6.663 -13.007 14.444 1.00 0.00 N ATOM 741 CA ARG A 595 -7.917 -13.373 13.759 1.00 0.00 C ATOM 742 C ARG A 595 -8.642 -14.446 14.592 1.00 0.00 C ATOM 743 O ARG A 595 -9.843 -14.352 14.808 1.00 0.00 O ATOM 744 CB ARG A 595 -7.656 -13.867 12.293 1.00 0.00 C ATOM 745 CG ARG A 595 -8.739 -13.462 11.250 1.00 0.00 C ATOM 746 CD ARG A 595 -10.158 -13.952 11.599 1.00 0.00 C ATOM 747 NE ARG A 595 -11.198 -13.343 10.751 1.00 0.00 N ATOM 748 CZ ARG A 595 -11.944 -12.267 11.086 1.00 0.00 C ATOM 749 NH1 ARG A 595 -11.690 -11.550 12.190 1.00 0.00 N ATOM 750 NH2 ARG A 595 -12.927 -11.888 10.278 1.00 0.00 N ATOM 0 H ARG A 595 -5.820 -13.249 13.924 1.00 0.00 H new ATOM 0 HA ARG A 595 -8.549 -12.489 13.677 1.00 0.00 H new ATOM 0 HB2 ARG A 595 -6.693 -13.477 11.962 1.00 0.00 H new ATOM 0 HB3 ARG A 595 -7.574 -14.954 12.303 1.00 0.00 H new ATOM 0 HG2 ARG A 595 -8.753 -12.376 11.159 1.00 0.00 H new ATOM 0 HG3 ARG A 595 -8.457 -13.860 10.275 1.00 0.00 H new ATOM 0 HD2 ARG A 595 -10.199 -15.036 11.494 1.00 0.00 H new ATOM 0 HD3 ARG A 595 -10.369 -13.725 12.644 1.00 0.00 H new ATOM 0 HE ARG A 595 -11.368 -13.767 9.839 1.00 0.00 H new ATOM 0 HH11 ARG A 595 -10.917 -11.812 12.802 1.00 0.00 H new ATOM 0 HH12 ARG A 595 -12.270 -10.742 12.418 1.00 0.00 H new ATOM 0 HH21 ARG A 595 -13.110 -12.407 9.419 1.00 0.00 H new ATOM 0 HH22 ARG A 595 -13.499 -11.078 10.516 1.00 0.00 H new ATOM 764 N TYR A 596 -7.864 -15.427 15.086 1.00 0.00 N ATOM 765 CA TYR A 596 -8.358 -16.503 15.964 1.00 0.00 C ATOM 766 C TYR A 596 -8.968 -15.932 17.256 1.00 0.00 C ATOM 767 O TYR A 596 -9.982 -16.428 17.734 1.00 0.00 O ATOM 768 CB TYR A 596 -7.202 -17.471 16.292 1.00 0.00 C ATOM 769 CG TYR A 596 -7.541 -18.621 17.250 1.00 0.00 C ATOM 770 CD1 TYR A 596 -8.422 -19.630 16.875 1.00 0.00 C ATOM 771 CD2 TYR A 596 -6.958 -18.714 18.524 1.00 0.00 C ATOM 772 CE1 TYR A 596 -8.717 -20.686 17.722 1.00 0.00 C ATOM 773 CE2 TYR A 596 -7.244 -19.771 19.374 1.00 0.00 C ATOM 774 CZ TYR A 596 -8.125 -20.754 18.971 1.00 0.00 C ATOM 775 OH TYR A 596 -8.415 -21.812 19.820 1.00 0.00 O ATOM 0 H TYR A 596 -6.866 -15.495 14.885 1.00 0.00 H new ATOM 0 HA TYR A 596 -9.146 -17.045 15.441 1.00 0.00 H new ATOM 0 HB2 TYR A 596 -6.836 -17.898 15.358 1.00 0.00 H new ATOM 0 HB3 TYR A 596 -6.383 -16.895 16.722 1.00 0.00 H new ATOM 0 HD1 TYR A 596 -8.887 -19.589 15.901 1.00 0.00 H new ATOM 0 HD2 TYR A 596 -6.272 -17.946 18.849 1.00 0.00 H new ATOM 0 HE1 TYR A 596 -9.408 -21.455 17.408 1.00 0.00 H new ATOM 0 HE2 TYR A 596 -6.779 -19.825 20.347 1.00 0.00 H new ATOM 0 HH TYR A 596 -8.625 -22.609 19.290 1.00 0.00 H new ATOM 785 N LYS A 597 -8.337 -14.871 17.788 1.00 0.00 N ATOM 786 CA LYS A 597 -8.800 -14.184 19.011 1.00 0.00 C ATOM 787 C LYS A 597 -10.165 -13.525 18.735 1.00 0.00 C ATOM 788 O LYS A 597 -11.095 -13.662 19.529 1.00 0.00 O ATOM 789 CB LYS A 597 -7.722 -13.143 19.468 1.00 0.00 C ATOM 790 CG LYS A 597 -7.745 -12.721 20.963 1.00 0.00 C ATOM 791 CD LYS A 597 -8.928 -11.802 21.368 1.00 0.00 C ATOM 792 CE LYS A 597 -8.824 -11.320 22.827 1.00 0.00 C ATOM 793 NZ LYS A 597 -9.948 -10.432 23.214 1.00 0.00 N ATOM 0 H LYS A 597 -7.493 -14.464 17.385 1.00 0.00 H new ATOM 0 HA LYS A 597 -8.931 -14.897 19.825 1.00 0.00 H new ATOM 0 HB2 LYS A 597 -6.737 -13.554 19.246 1.00 0.00 H new ATOM 0 HB3 LYS A 597 -7.837 -12.246 18.860 1.00 0.00 H new ATOM 0 HG2 LYS A 597 -7.776 -13.620 21.578 1.00 0.00 H new ATOM 0 HG3 LYS A 597 -6.811 -12.209 21.195 1.00 0.00 H new ATOM 0 HD2 LYS A 597 -8.957 -10.938 20.704 1.00 0.00 H new ATOM 0 HD3 LYS A 597 -9.866 -12.340 21.232 1.00 0.00 H new ATOM 0 HE2 LYS A 597 -8.803 -12.184 23.491 1.00 0.00 H new ATOM 0 HE3 LYS A 597 -7.882 -10.789 22.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 597 -9.595 -9.674 23.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 597 -10.370 -10.014 22.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 597 -10.668 -10.985 23.721 1.00 0.00 H new ATOM 807 N GLU A 598 -10.271 -12.861 17.566 1.00 0.00 N ATOM 808 CA GLU A 598 -11.518 -12.221 17.093 1.00 0.00 C ATOM 809 C GLU A 598 -12.618 -13.276 16.861 1.00 0.00 C ATOM 810 O GLU A 598 -13.794 -13.002 17.087 1.00 0.00 O ATOM 811 CB GLU A 598 -11.271 -11.433 15.777 1.00 0.00 C ATOM 812 CG GLU A 598 -10.226 -10.304 15.875 1.00 0.00 C ATOM 813 CD GLU A 598 -9.939 -9.621 14.520 1.00 0.00 C ATOM 814 OE1 GLU A 598 -9.327 -10.261 13.641 1.00 0.00 O ATOM 815 OE2 GLU A 598 -10.363 -8.460 14.315 1.00 0.00 O ATOM 0 H GLU A 598 -9.490 -12.752 16.919 1.00 0.00 H new ATOM 0 HA GLU A 598 -11.847 -11.526 17.866 1.00 0.00 H new ATOM 0 HB2 GLU A 598 -10.953 -12.135 15.006 1.00 0.00 H new ATOM 0 HB3 GLU A 598 -12.217 -11.003 15.446 1.00 0.00 H new ATOM 0 HG2 GLU A 598 -10.576 -9.555 16.585 1.00 0.00 H new ATOM 0 HG3 GLU A 598 -9.297 -10.711 16.273 1.00 0.00 H new ATOM 822 N LEU A 599 -12.209 -14.487 16.412 1.00 0.00 N ATOM 823 CA LEU A 599 -13.131 -15.623 16.206 1.00 0.00 C ATOM 824 C LEU A 599 -13.706 -16.071 17.561 1.00 0.00 C ATOM 825 O LEU A 599 -14.905 -16.283 17.679 1.00 0.00 O ATOM 826 CB LEU A 599 -12.421 -16.813 15.490 1.00 0.00 C ATOM 827 CG LEU A 599 -11.939 -16.540 14.028 1.00 0.00 C ATOM 828 CD1 LEU A 599 -11.131 -17.722 13.458 1.00 0.00 C ATOM 829 CD2 LEU A 599 -13.120 -16.179 13.107 1.00 0.00 C ATOM 0 H LEU A 599 -11.238 -14.700 16.185 1.00 0.00 H new ATOM 0 HA LEU A 599 -13.944 -15.294 15.559 1.00 0.00 H new ATOM 0 HB2 LEU A 599 -11.558 -17.109 16.087 1.00 0.00 H new ATOM 0 HB3 LEU A 599 -13.104 -17.662 15.474 1.00 0.00 H new ATOM 0 HG LEU A 599 -11.270 -15.680 14.068 1.00 0.00 H new ATOM 0 HD11 LEU A 599 -10.816 -17.490 12.441 1.00 0.00 H new ATOM 0 HD12 LEU A 599 -10.253 -17.896 14.079 1.00 0.00 H new ATOM 0 HD13 LEU A 599 -11.752 -18.617 13.450 1.00 0.00 H new ATOM 0 HD21 LEU A 599 -12.751 -15.995 12.098 1.00 0.00 H new ATOM 0 HD22 LEU A 599 -13.832 -17.004 13.088 1.00 0.00 H new ATOM 0 HD23 LEU A 599 -13.613 -15.282 13.482 1.00 0.00 H new ATOM 841 N VAL A 600 -12.828 -16.146 18.590 1.00 0.00 N ATOM 842 CA VAL A 600 -13.217 -16.503 19.973 1.00 0.00 C ATOM 843 C VAL A 600 -14.199 -15.454 20.547 1.00 0.00 C ATOM 844 O VAL A 600 -15.170 -15.815 21.228 1.00 0.00 O ATOM 845 CB VAL A 600 -11.948 -16.660 20.904 1.00 0.00 C ATOM 846 CG1 VAL A 600 -12.344 -16.904 22.383 1.00 0.00 C ATOM 847 CG2 VAL A 600 -11.015 -17.796 20.397 1.00 0.00 C ATOM 0 H VAL A 600 -11.831 -15.960 18.483 1.00 0.00 H new ATOM 0 HA VAL A 600 -13.723 -17.468 19.943 1.00 0.00 H new ATOM 0 HB VAL A 600 -11.401 -15.718 20.857 1.00 0.00 H new ATOM 0 HG11 VAL A 600 -11.444 -17.006 22.989 1.00 0.00 H new ATOM 0 HG12 VAL A 600 -12.932 -16.061 22.746 1.00 0.00 H new ATOM 0 HG13 VAL A 600 -12.936 -17.817 22.455 1.00 0.00 H new ATOM 0 HG21 VAL A 600 -10.152 -17.880 21.057 1.00 0.00 H new ATOM 0 HG22 VAL A 600 -11.561 -18.740 20.392 1.00 0.00 H new ATOM 0 HG23 VAL A 600 -10.678 -17.566 19.386 1.00 0.00 H new ATOM 857 N GLU A 601 -13.957 -14.164 20.223 1.00 0.00 N ATOM 858 CA GLU A 601 -14.843 -13.052 20.631 1.00 0.00 C ATOM 859 C GLU A 601 -16.233 -13.218 20.007 1.00 0.00 C ATOM 860 O GLU A 601 -17.238 -13.173 20.702 1.00 0.00 O ATOM 861 CB GLU A 601 -14.262 -11.672 20.215 1.00 0.00 C ATOM 862 CG GLU A 601 -12.900 -11.323 20.830 1.00 0.00 C ATOM 863 CD GLU A 601 -12.894 -11.397 22.361 1.00 0.00 C ATOM 864 OE1 GLU A 601 -13.484 -10.514 23.009 1.00 0.00 O ATOM 865 OE2 GLU A 601 -12.289 -12.329 22.928 1.00 0.00 O ATOM 0 H GLU A 601 -13.149 -13.867 19.676 1.00 0.00 H new ATOM 0 HA GLU A 601 -14.918 -13.084 21.718 1.00 0.00 H new ATOM 0 HB2 GLU A 601 -14.169 -11.647 19.129 1.00 0.00 H new ATOM 0 HB3 GLU A 601 -14.977 -10.897 20.491 1.00 0.00 H new ATOM 0 HG2 GLU A 601 -12.145 -12.004 20.436 1.00 0.00 H new ATOM 0 HG3 GLU A 601 -12.615 -10.318 20.520 1.00 0.00 H new ATOM 872 N MET A 602 -16.259 -13.437 18.682 1.00 0.00 N ATOM 873 CA MET A 602 -17.504 -13.533 17.905 1.00 0.00 C ATOM 874 C MET A 602 -18.316 -14.787 18.288 1.00 0.00 C ATOM 875 O MET A 602 -19.539 -14.742 18.295 1.00 0.00 O ATOM 876 CB MET A 602 -17.192 -13.494 16.380 1.00 0.00 C ATOM 877 CG MET A 602 -16.741 -12.107 15.867 1.00 0.00 C ATOM 878 SD MET A 602 -16.476 -12.042 14.077 1.00 0.00 S ATOM 879 CE MET A 602 -14.937 -12.941 13.880 1.00 0.00 C ATOM 0 H MET A 602 -15.416 -13.552 18.120 1.00 0.00 H new ATOM 0 HA MET A 602 -18.125 -12.670 18.147 1.00 0.00 H new ATOM 0 HB2 MET A 602 -16.412 -14.223 16.160 1.00 0.00 H new ATOM 0 HB3 MET A 602 -18.081 -13.803 15.829 1.00 0.00 H new ATOM 0 HG2 MET A 602 -17.492 -11.366 16.141 1.00 0.00 H new ATOM 0 HG3 MET A 602 -15.817 -11.826 16.372 1.00 0.00 H new ATOM 0 HE1 MET A 602 -14.602 -12.866 12.846 1.00 0.00 H new ATOM 0 HE2 MET A 602 -14.180 -12.515 14.539 1.00 0.00 H new ATOM 0 HE3 MET A 602 -15.093 -13.989 14.136 1.00 0.00 H new ATOM 889 N VAL A 603 -17.624 -15.887 18.635 1.00 0.00 N ATOM 890 CA VAL A 603 -18.280 -17.136 19.077 1.00 0.00 C ATOM 891 C VAL A 603 -18.946 -16.922 20.452 1.00 0.00 C ATOM 892 O VAL A 603 -20.162 -17.074 20.580 1.00 0.00 O ATOM 893 CB VAL A 603 -17.252 -18.335 19.130 1.00 0.00 C ATOM 894 CG1 VAL A 603 -17.826 -19.566 19.878 1.00 0.00 C ATOM 895 CG2 VAL A 603 -16.788 -18.738 17.706 1.00 0.00 C ATOM 0 H VAL A 603 -16.605 -15.938 18.618 1.00 0.00 H new ATOM 0 HA VAL A 603 -19.049 -17.397 18.350 1.00 0.00 H new ATOM 0 HB VAL A 603 -16.388 -17.982 19.692 1.00 0.00 H new ATOM 0 HG11 VAL A 603 -17.084 -20.364 19.889 1.00 0.00 H new ATOM 0 HG12 VAL A 603 -18.073 -19.287 20.902 1.00 0.00 H new ATOM 0 HG13 VAL A 603 -18.725 -19.914 19.370 1.00 0.00 H new ATOM 0 HG21 VAL A 603 -16.081 -19.565 17.774 1.00 0.00 H new ATOM 0 HG22 VAL A 603 -17.651 -19.046 17.116 1.00 0.00 H new ATOM 0 HG23 VAL A 603 -16.305 -17.887 17.226 1.00 0.00 H new ATOM 905 N LYS A 604 -18.140 -16.509 21.448 1.00 0.00 N ATOM 906 CA LYS A 604 -18.592 -16.370 22.850 1.00 0.00 C ATOM 907 C LYS A 604 -19.688 -15.300 23.000 1.00 0.00 C ATOM 908 O LYS A 604 -20.718 -15.563 23.615 1.00 0.00 O ATOM 909 CB LYS A 604 -17.385 -16.058 23.778 1.00 0.00 C ATOM 910 CG LYS A 604 -16.481 -17.277 24.059 1.00 0.00 C ATOM 911 CD LYS A 604 -15.243 -16.931 24.922 1.00 0.00 C ATOM 912 CE LYS A 604 -14.539 -18.182 25.482 1.00 0.00 C ATOM 913 NZ LYS A 604 -14.170 -19.161 24.422 1.00 0.00 N ATOM 0 H LYS A 604 -17.160 -16.262 21.307 1.00 0.00 H new ATOM 0 HA LYS A 604 -19.031 -17.322 23.150 1.00 0.00 H new ATOM 0 HB2 LYS A 604 -16.785 -15.270 23.324 1.00 0.00 H new ATOM 0 HB3 LYS A 604 -17.759 -15.669 24.725 1.00 0.00 H new ATOM 0 HG2 LYS A 604 -17.065 -18.046 24.565 1.00 0.00 H new ATOM 0 HG3 LYS A 604 -16.149 -17.701 23.111 1.00 0.00 H new ATOM 0 HD2 LYS A 604 -14.535 -16.359 24.322 1.00 0.00 H new ATOM 0 HD3 LYS A 604 -15.550 -16.291 25.749 1.00 0.00 H new ATOM 0 HE2 LYS A 604 -13.640 -17.878 26.018 1.00 0.00 H new ATOM 0 HE3 LYS A 604 -15.193 -18.667 26.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 604 -14.658 -20.063 24.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 604 -14.452 -18.789 23.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 604 -13.142 -19.316 24.435 1.00 0.00 H new ATOM 927 N ALA A 605 -19.453 -14.118 22.404 1.00 0.00 N ATOM 928 CA ALA A 605 -20.386 -12.971 22.493 1.00 0.00 C ATOM 929 C ALA A 605 -21.747 -13.293 21.857 1.00 0.00 C ATOM 930 O ALA A 605 -22.792 -13.014 22.445 1.00 0.00 O ATOM 931 CB ALA A 605 -19.777 -11.716 21.835 1.00 0.00 C ATOM 0 H ALA A 605 -18.618 -13.927 21.850 1.00 0.00 H new ATOM 0 HA ALA A 605 -20.549 -12.771 23.552 1.00 0.00 H new ATOM 0 HB1 ALA A 605 -20.480 -10.887 21.913 1.00 0.00 H new ATOM 0 HB2 ALA A 605 -18.849 -11.453 22.342 1.00 0.00 H new ATOM 0 HB3 ALA A 605 -19.571 -11.920 20.784 1.00 0.00 H new ATOM 937 N LYS A 606 -21.706 -13.906 20.658 1.00 0.00 N ATOM 938 CA LYS A 606 -22.913 -14.221 19.874 1.00 0.00 C ATOM 939 C LYS A 606 -23.744 -15.313 20.561 1.00 0.00 C ATOM 940 O LYS A 606 -24.947 -15.148 20.750 1.00 0.00 O ATOM 941 CB LYS A 606 -22.507 -14.652 18.448 1.00 0.00 C ATOM 942 CG LYS A 606 -23.668 -14.926 17.467 1.00 0.00 C ATOM 943 CD LYS A 606 -23.172 -15.236 16.035 1.00 0.00 C ATOM 944 CE LYS A 606 -22.320 -14.098 15.436 1.00 0.00 C ATOM 945 NZ LYS A 606 -21.785 -14.455 14.103 1.00 0.00 N ATOM 0 H LYS A 606 -20.838 -14.195 20.208 1.00 0.00 H new ATOM 0 HA LYS A 606 -23.535 -13.328 19.809 1.00 0.00 H new ATOM 0 HB2 LYS A 606 -21.873 -13.875 18.022 1.00 0.00 H new ATOM 0 HB3 LYS A 606 -21.899 -15.554 18.522 1.00 0.00 H new ATOM 0 HG2 LYS A 606 -24.259 -15.766 17.833 1.00 0.00 H new ATOM 0 HG3 LYS A 606 -24.329 -14.059 17.440 1.00 0.00 H new ATOM 0 HD2 LYS A 606 -22.584 -16.154 16.050 1.00 0.00 H new ATOM 0 HD3 LYS A 606 -24.031 -15.418 15.390 1.00 0.00 H new ATOM 0 HE2 LYS A 606 -22.925 -13.195 15.355 1.00 0.00 H new ATOM 0 HE3 LYS A 606 -21.494 -13.869 16.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 606 -21.218 -13.665 13.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 606 -21.187 -15.302 14.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 606 -22.573 -14.649 13.453 1.00 0.00 H new ATOM 959 N LYS A 607 -23.080 -16.410 20.968 1.00 0.00 N ATOM 960 CA LYS A 607 -23.745 -17.567 21.604 1.00 0.00 C ATOM 961 C LYS A 607 -24.322 -17.203 22.981 1.00 0.00 C ATOM 962 O LYS A 607 -25.369 -17.728 23.368 1.00 0.00 O ATOM 963 CB LYS A 607 -22.768 -18.769 21.714 1.00 0.00 C ATOM 964 CG LYS A 607 -22.396 -19.390 20.353 1.00 0.00 C ATOM 965 CD LYS A 607 -21.460 -20.611 20.481 1.00 0.00 C ATOM 966 CE LYS A 607 -21.175 -21.256 19.113 1.00 0.00 C ATOM 967 NZ LYS A 607 -20.232 -22.386 19.213 1.00 0.00 N ATOM 0 H LYS A 607 -22.071 -16.522 20.867 1.00 0.00 H new ATOM 0 HA LYS A 607 -24.580 -17.858 20.967 1.00 0.00 H new ATOM 0 HB2 LYS A 607 -21.857 -18.441 22.215 1.00 0.00 H new ATOM 0 HB3 LYS A 607 -23.219 -19.537 22.343 1.00 0.00 H new ATOM 0 HG2 LYS A 607 -23.307 -19.691 19.836 1.00 0.00 H new ATOM 0 HG3 LYS A 607 -21.914 -18.633 19.734 1.00 0.00 H new ATOM 0 HD2 LYS A 607 -20.521 -20.303 20.941 1.00 0.00 H new ATOM 0 HD3 LYS A 607 -21.913 -21.349 21.144 1.00 0.00 H new ATOM 0 HE2 LYS A 607 -22.111 -21.604 18.676 1.00 0.00 H new ATOM 0 HE3 LYS A 607 -20.768 -20.504 18.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 607 -20.071 -22.788 18.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 607 -19.329 -22.051 19.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 607 -20.631 -23.117 19.837 1.00 0.00 H new ATOM 981 N ALA A 608 -23.630 -16.297 23.701 1.00 0.00 N ATOM 982 CA ALA A 608 -24.116 -15.758 24.987 1.00 0.00 C ATOM 983 C ALA A 608 -25.347 -14.867 24.757 1.00 0.00 C ATOM 984 O ALA A 608 -26.314 -14.933 25.512 1.00 0.00 O ATOM 985 CB ALA A 608 -23.002 -14.974 25.704 1.00 0.00 C ATOM 0 H ALA A 608 -22.727 -15.921 23.411 1.00 0.00 H new ATOM 0 HA ALA A 608 -24.406 -16.592 25.626 1.00 0.00 H new ATOM 0 HB1 ALA A 608 -23.381 -14.585 26.649 1.00 0.00 H new ATOM 0 HB2 ALA A 608 -22.157 -15.636 25.896 1.00 0.00 H new ATOM 0 HB3 ALA A 608 -22.678 -14.145 25.075 1.00 0.00 H new ATOM 991 N ALA A 609 -25.298 -14.070 23.669 1.00 0.00 N ATOM 992 CA ALA A 609 -26.389 -13.148 23.284 1.00 0.00 C ATOM 993 C ALA A 609 -27.667 -13.913 22.891 1.00 0.00 C ATOM 994 O ALA A 609 -28.779 -13.477 23.199 1.00 0.00 O ATOM 995 CB ALA A 609 -25.935 -12.231 22.139 1.00 0.00 C ATOM 0 H ALA A 609 -24.501 -14.047 23.032 1.00 0.00 H new ATOM 0 HA ALA A 609 -26.628 -12.535 24.153 1.00 0.00 H new ATOM 0 HB1 ALA A 609 -26.749 -11.559 21.867 1.00 0.00 H new ATOM 0 HB2 ALA A 609 -25.073 -11.646 22.461 1.00 0.00 H new ATOM 0 HB3 ALA A 609 -25.660 -12.836 21.275 1.00 0.00 H new ATOM 1001 N GLN A 610 -27.486 -15.062 22.222 1.00 0.00 N ATOM 1002 CA GLN A 610 -28.597 -15.930 21.797 1.00 0.00 C ATOM 1003 C GLN A 610 -29.205 -16.654 23.010 1.00 0.00 C ATOM 1004 O GLN A 610 -30.427 -16.776 23.120 1.00 0.00 O ATOM 1005 CB GLN A 610 -28.110 -16.954 20.731 1.00 0.00 C ATOM 1006 CG GLN A 610 -27.569 -16.320 19.429 1.00 0.00 C ATOM 1007 CD GLN A 610 -28.617 -15.516 18.656 1.00 0.00 C ATOM 1008 OE1 GLN A 610 -28.789 -14.316 18.872 1.00 0.00 O ATOM 1009 NE2 GLN A 610 -29.316 -16.165 17.738 1.00 0.00 N ATOM 0 H GLN A 610 -26.566 -15.416 21.960 1.00 0.00 H new ATOM 0 HA GLN A 610 -29.371 -15.309 21.345 1.00 0.00 H new ATOM 0 HB2 GLN A 610 -27.327 -17.572 21.171 1.00 0.00 H new ATOM 0 HB3 GLN A 610 -28.937 -17.618 20.480 1.00 0.00 H new ATOM 0 HG2 GLN A 610 -26.731 -15.667 19.674 1.00 0.00 H new ATOM 0 HG3 GLN A 610 -27.181 -17.109 18.785 1.00 0.00 H new ATOM 0 HE21 GLN A 610 -29.152 -17.159 17.581 1.00 0.00 H new ATOM 0 HE22 GLN A 610 -30.019 -15.671 17.188 1.00 0.00 H new ATOM 1018 N GLU A 611 -28.328 -17.091 23.931 1.00 0.00 N ATOM 1019 CA GLU A 611 -28.713 -17.925 25.084 1.00 0.00 C ATOM 1020 C GLU A 611 -29.460 -17.099 26.158 1.00 0.00 C ATOM 1021 O GLU A 611 -30.445 -17.568 26.735 1.00 0.00 O ATOM 1022 CB GLU A 611 -27.449 -18.593 25.689 1.00 0.00 C ATOM 1023 CG GLU A 611 -27.723 -19.652 26.775 1.00 0.00 C ATOM 1024 CD GLU A 611 -26.447 -20.278 27.357 1.00 0.00 C ATOM 1025 OE1 GLU A 611 -25.884 -21.199 26.731 1.00 0.00 O ATOM 1026 OE2 GLU A 611 -26.001 -19.857 28.448 1.00 0.00 O ATOM 0 H GLU A 611 -27.332 -16.876 23.897 1.00 0.00 H new ATOM 0 HA GLU A 611 -29.398 -18.698 24.735 1.00 0.00 H new ATOM 0 HB2 GLU A 611 -26.883 -19.060 24.883 1.00 0.00 H new ATOM 0 HB3 GLU A 611 -26.815 -17.815 26.114 1.00 0.00 H new ATOM 0 HG2 GLU A 611 -28.294 -19.193 27.582 1.00 0.00 H new ATOM 0 HG3 GLU A 611 -28.345 -20.441 26.353 1.00 0.00 H new ATOM 1033 N GLN A 612 -28.983 -15.861 26.399 1.00 0.00 N ATOM 1034 CA GLN A 612 -29.547 -14.958 27.435 1.00 0.00 C ATOM 1035 C GLN A 612 -30.966 -14.486 27.070 1.00 0.00 C ATOM 1036 O GLN A 612 -31.752 -14.105 27.940 1.00 0.00 O ATOM 1037 CB GLN A 612 -28.614 -13.739 27.649 1.00 0.00 C ATOM 1038 CG GLN A 612 -28.516 -12.776 26.444 1.00 0.00 C ATOM 1039 CD GLN A 612 -27.566 -11.591 26.636 1.00 0.00 C ATOM 1040 OE1 GLN A 612 -27.803 -10.506 26.112 1.00 0.00 O ATOM 1041 NE2 GLN A 612 -26.463 -11.792 27.339 1.00 0.00 N ATOM 0 H GLN A 612 -28.200 -15.456 25.886 1.00 0.00 H new ATOM 0 HA GLN A 612 -29.617 -15.524 28.364 1.00 0.00 H new ATOM 0 HB2 GLN A 612 -28.965 -13.179 28.516 1.00 0.00 H new ATOM 0 HB3 GLN A 612 -27.614 -14.102 27.888 1.00 0.00 H new ATOM 0 HG2 GLN A 612 -28.193 -13.343 25.571 1.00 0.00 H new ATOM 0 HG3 GLN A 612 -29.512 -12.391 26.224 1.00 0.00 H new ATOM 0 HE21 GLN A 612 -26.288 -12.702 27.765 1.00 0.00 H new ATOM 0 HE22 GLN A 612 -25.787 -11.037 27.455 1.00 0.00 H new ATOM 1050 N VAL A 613 -31.255 -14.482 25.768 1.00 0.00 N ATOM 1051 CA VAL A 613 -32.588 -14.168 25.235 1.00 0.00 C ATOM 1052 C VAL A 613 -33.468 -15.435 25.254 1.00 0.00 C ATOM 1053 O VAL A 613 -34.676 -15.369 25.507 1.00 0.00 O ATOM 1054 CB VAL A 613 -32.469 -13.579 23.782 1.00 0.00 C ATOM 1055 CG1 VAL A 613 -33.857 -13.351 23.118 1.00 0.00 C ATOM 1056 CG2 VAL A 613 -31.642 -12.267 23.798 1.00 0.00 C ATOM 0 H VAL A 613 -30.568 -14.698 25.046 1.00 0.00 H new ATOM 0 HA VAL A 613 -33.060 -13.412 25.863 1.00 0.00 H new ATOM 0 HB VAL A 613 -31.948 -14.319 23.174 1.00 0.00 H new ATOM 0 HG11 VAL A 613 -33.719 -12.943 22.117 1.00 0.00 H new ATOM 0 HG12 VAL A 613 -34.390 -14.300 23.053 1.00 0.00 H new ATOM 0 HG13 VAL A 613 -34.437 -12.650 23.718 1.00 0.00 H new ATOM 0 HG21 VAL A 613 -31.568 -11.871 22.785 1.00 0.00 H new ATOM 0 HG22 VAL A 613 -32.133 -11.535 24.439 1.00 0.00 H new ATOM 0 HG23 VAL A 613 -30.642 -12.472 24.181 1.00 0.00 H new ATOM 1066 N LEU A 614 -32.825 -16.597 25.029 1.00 0.00 N ATOM 1067 CA LEU A 614 -33.507 -17.901 24.940 1.00 0.00 C ATOM 1068 C LEU A 614 -34.063 -18.332 26.318 1.00 0.00 C ATOM 1069 O LEU A 614 -35.123 -18.954 26.383 1.00 0.00 O ATOM 1070 CB LEU A 614 -32.540 -18.966 24.320 1.00 0.00 C ATOM 1071 CG LEU A 614 -33.197 -20.214 23.630 1.00 0.00 C ATOM 1072 CD1 LEU A 614 -32.246 -20.837 22.586 1.00 0.00 C ATOM 1073 CD2 LEU A 614 -33.647 -21.279 24.657 1.00 0.00 C ATOM 0 H LEU A 614 -31.815 -16.657 24.904 1.00 0.00 H new ATOM 0 HA LEU A 614 -34.368 -17.813 24.277 1.00 0.00 H new ATOM 0 HB2 LEU A 614 -31.912 -18.464 23.584 1.00 0.00 H new ATOM 0 HB3 LEU A 614 -31.881 -19.325 25.110 1.00 0.00 H new ATOM 0 HG LEU A 614 -34.090 -19.857 23.117 1.00 0.00 H new ATOM 0 HD11 LEU A 614 -32.727 -21.699 22.124 1.00 0.00 H new ATOM 0 HD12 LEU A 614 -32.013 -20.098 21.820 1.00 0.00 H new ATOM 0 HD13 LEU A 614 -31.326 -21.154 23.076 1.00 0.00 H new ATOM 0 HD21 LEU A 614 -34.095 -22.123 24.133 1.00 0.00 H new ATOM 0 HD22 LEU A 614 -32.784 -21.623 25.227 1.00 0.00 H new ATOM 0 HD23 LEU A 614 -34.380 -20.843 25.336 1.00 0.00 H new ATOM 1085 N ASN A 615 -33.375 -17.944 27.414 1.00 0.00 N ATOM 1086 CA ASN A 615 -33.803 -18.299 28.794 1.00 0.00 C ATOM 1087 C ASN A 615 -35.124 -17.603 29.190 1.00 0.00 C ATOM 1088 O ASN A 615 -35.800 -18.039 30.120 1.00 0.00 O ATOM 1089 CB ASN A 615 -32.684 -18.012 29.839 1.00 0.00 C ATOM 1090 CG ASN A 615 -32.286 -16.535 30.007 1.00 0.00 C ATOM 1091 OD1 ASN A 615 -33.089 -15.616 29.849 1.00 0.00 O ATOM 1092 ND2 ASN A 615 -31.033 -16.296 30.356 1.00 0.00 N ATOM 0 H ASN A 615 -32.522 -17.386 27.375 1.00 0.00 H new ATOM 0 HA ASN A 615 -33.989 -19.373 28.794 1.00 0.00 H new ATOM 0 HB2 ASN A 615 -33.011 -18.393 30.807 1.00 0.00 H new ATOM 0 HB3 ASN A 615 -31.796 -18.578 29.557 1.00 0.00 H new ATOM 0 HD21 ASN A 615 -30.718 -15.337 30.499 1.00 0.00 H new ATOM 0 HD22 ASN A 615 -30.382 -17.071 30.482 1.00 0.00 H new ATOM 1099 N ALA A 616 -35.470 -16.514 28.490 1.00 0.00 N ATOM 1100 CA ALA A 616 -36.760 -15.830 28.672 1.00 0.00 C ATOM 1101 C ALA A 616 -37.886 -16.646 28.003 1.00 0.00 C ATOM 1102 O ALA A 616 -39.012 -16.705 28.498 1.00 0.00 O ATOM 1103 CB ALA A 616 -36.686 -14.410 28.094 1.00 0.00 C ATOM 0 H ALA A 616 -34.869 -16.084 27.786 1.00 0.00 H new ATOM 0 HA ALA A 616 -36.982 -15.752 29.736 1.00 0.00 H new ATOM 0 HB1 ALA A 616 -37.645 -13.910 28.233 1.00 0.00 H new ATOM 0 HB2 ALA A 616 -35.906 -13.848 28.608 1.00 0.00 H new ATOM 0 HB3 ALA A 616 -36.454 -14.462 27.030 1.00 0.00 H new ATOM 1109 N SER A 617 -37.548 -17.278 26.863 1.00 0.00 N ATOM 1110 CA SER A 617 -38.475 -18.131 26.092 1.00 0.00 C ATOM 1111 C SER A 617 -38.543 -19.567 26.678 1.00 0.00 C ATOM 1112 O SER A 617 -39.512 -20.298 26.449 1.00 0.00 O ATOM 1113 CB SER A 617 -38.016 -18.158 24.609 1.00 0.00 C ATOM 1114 OG SER A 617 -38.913 -18.879 23.771 1.00 0.00 O ATOM 0 H SER A 617 -36.619 -17.211 26.448 1.00 0.00 H new ATOM 0 HA SER A 617 -39.480 -17.714 26.156 1.00 0.00 H new ATOM 0 HB2 SER A 617 -37.924 -17.136 24.242 1.00 0.00 H new ATOM 0 HB3 SER A 617 -37.025 -18.609 24.547 1.00 0.00 H new ATOM 0 HG SER A 617 -38.581 -18.866 22.849 1.00 0.00 H new ATOM 1120 N ARG A 618 -37.501 -19.961 27.441 1.00 0.00 N ATOM 1121 CA ARG A 618 -37.357 -21.333 27.992 1.00 0.00 C ATOM 1122 C ARG A 618 -37.751 -21.390 29.480 1.00 0.00 C ATOM 1123 O ARG A 618 -38.662 -22.139 29.864 1.00 0.00 O ATOM 1124 CB ARG A 618 -35.893 -21.832 27.790 1.00 0.00 C ATOM 1125 CG ARG A 618 -35.555 -23.191 28.453 1.00 0.00 C ATOM 1126 CD ARG A 618 -36.422 -24.362 27.952 1.00 0.00 C ATOM 1127 NE ARG A 618 -36.127 -25.597 28.703 1.00 0.00 N ATOM 1128 CZ ARG A 618 -36.845 -26.076 29.732 1.00 0.00 C ATOM 1129 NH1 ARG A 618 -37.959 -25.460 30.147 1.00 0.00 N ATOM 1130 NH2 ARG A 618 -36.436 -27.170 30.357 1.00 0.00 N ATOM 0 H ARG A 618 -36.733 -19.339 27.695 1.00 0.00 H new ATOM 0 HA ARG A 618 -38.037 -21.991 27.451 1.00 0.00 H new ATOM 0 HB2 ARG A 618 -35.699 -21.911 26.720 1.00 0.00 H new ATOM 0 HB3 ARG A 618 -35.212 -21.077 28.183 1.00 0.00 H new ATOM 0 HG2 ARG A 618 -34.506 -23.423 28.269 1.00 0.00 H new ATOM 0 HG3 ARG A 618 -35.676 -23.098 29.532 1.00 0.00 H new ATOM 0 HD2 ARG A 618 -37.477 -24.110 28.059 1.00 0.00 H new ATOM 0 HD3 ARG A 618 -36.240 -24.526 26.890 1.00 0.00 H new ATOM 0 HE ARG A 618 -35.308 -26.133 28.416 1.00 0.00 H new ATOM 0 HH11 ARG A 618 -38.276 -24.611 29.680 1.00 0.00 H new ATOM 0 HH12 ARG A 618 -38.490 -25.840 30.930 1.00 0.00 H new ATOM 0 HH21 ARG A 618 -35.583 -27.641 30.056 1.00 0.00 H new ATOM 0 HH22 ARG A 618 -36.974 -27.542 31.140 1.00 0.00 H new ATOM 1144 N ALA A 619 -37.042 -20.611 30.312 1.00 0.00 N ATOM 1145 CA ALA A 619 -37.207 -20.627 31.776 1.00 0.00 C ATOM 1146 C ALA A 619 -38.357 -19.690 32.204 1.00 0.00 C ATOM 1147 O ALA A 619 -38.505 -18.581 31.665 1.00 0.00 O ATOM 1148 CB ALA A 619 -35.887 -20.225 32.456 1.00 0.00 C ATOM 0 H ALA A 619 -36.336 -19.950 29.988 1.00 0.00 H new ATOM 0 HA ALA A 619 -37.466 -21.638 32.091 1.00 0.00 H new ATOM 0 HB1 ALA A 619 -36.016 -20.239 33.538 1.00 0.00 H new ATOM 0 HB2 ALA A 619 -35.104 -20.929 32.175 1.00 0.00 H new ATOM 0 HB3 ALA A 619 -35.604 -19.222 32.137 1.00 0.00 H new ATOM 1154 N LYS A 620 -39.160 -20.161 33.175 1.00 0.00 N ATOM 1155 CA LYS A 620 -40.295 -19.409 33.752 1.00 0.00 C ATOM 1156 C LYS A 620 -39.888 -18.756 35.093 1.00 0.00 C ATOM 1157 O LYS A 620 -40.546 -17.827 35.565 1.00 0.00 O ATOM 1158 CB LYS A 620 -41.512 -20.365 33.943 1.00 0.00 C ATOM 1159 CG LYS A 620 -41.227 -21.627 34.802 1.00 0.00 C ATOM 1160 CD LYS A 620 -42.389 -22.652 34.779 1.00 0.00 C ATOM 1161 CE LYS A 620 -42.065 -23.939 35.559 1.00 0.00 C ATOM 1162 NZ LYS A 620 -43.159 -24.938 35.472 1.00 0.00 N ATOM 0 H LYS A 620 -39.040 -21.086 33.588 1.00 0.00 H new ATOM 0 HA LYS A 620 -40.581 -18.611 33.067 1.00 0.00 H new ATOM 0 HB2 LYS A 620 -42.325 -19.805 34.405 1.00 0.00 H new ATOM 0 HB3 LYS A 620 -41.862 -20.684 32.961 1.00 0.00 H new ATOM 0 HG2 LYS A 620 -40.318 -22.108 34.440 1.00 0.00 H new ATOM 0 HG3 LYS A 620 -41.038 -21.323 35.832 1.00 0.00 H new ATOM 0 HD2 LYS A 620 -43.282 -22.192 35.202 1.00 0.00 H new ATOM 0 HD3 LYS A 620 -42.621 -22.908 33.745 1.00 0.00 H new ATOM 0 HE2 LYS A 620 -41.145 -24.376 35.170 1.00 0.00 H new ATOM 0 HE3 LYS A 620 -41.883 -23.692 36.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 620 -42.897 -25.788 36.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 620 -44.032 -24.533 35.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 620 -43.316 -25.195 34.477 1.00 0.00 H new ATOM 1176 N LYS A 621 -38.798 -19.263 35.683 1.00 0.00 N ATOM 1177 CA LYS A 621 -38.246 -18.774 36.962 1.00 0.00 C ATOM 1178 C LYS A 621 -37.197 -17.673 36.675 1.00 0.00 C ATOM 1179 CB LYS A 621 -37.614 -19.956 37.752 1.00 0.00 C ATOM 1180 CG LYS A 621 -37.021 -19.576 39.130 1.00 0.00 C ATOM 1181 CD LYS A 621 -36.423 -20.787 39.880 1.00 0.00 C ATOM 1182 CE LYS A 621 -37.469 -21.870 40.223 1.00 0.00 C ATOM 1183 NZ LYS A 621 -38.528 -21.352 41.123 1.00 0.00 N ATOM 0 H LYS A 621 -38.264 -20.035 35.283 1.00 0.00 H new ATOM 0 HA LYS A 621 -39.043 -18.348 37.572 1.00 0.00 H new ATOM 0 HB2 LYS A 621 -38.374 -20.723 37.899 1.00 0.00 H new ATOM 0 HB3 LYS A 621 -36.826 -20.400 37.144 1.00 0.00 H new ATOM 0 HG2 LYS A 621 -36.246 -18.822 38.991 1.00 0.00 H new ATOM 0 HG3 LYS A 621 -37.800 -19.123 39.743 1.00 0.00 H new ATOM 0 HD2 LYS A 621 -35.637 -21.231 39.270 1.00 0.00 H new ATOM 0 HD3 LYS A 621 -35.954 -20.440 40.801 1.00 0.00 H new ATOM 0 HE2 LYS A 621 -37.923 -22.240 39.304 1.00 0.00 H new ATOM 0 HE3 LYS A 621 -36.973 -22.717 40.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 621 -39.152 -22.133 41.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 621 -38.091 -20.930 41.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 621 -39.085 -20.630 40.624 1.00 0.00 H new TER 1197 LYS A 621