USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=22 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 Set 1.1: A 606 LYS NZ :NH3+ -121:sc= 0.285 (180deg=-0.394) USER MOD Set 1.2: A 610 GLN : amide:sc= 0.413 K(o=0.7,f=-3.3) USER MOD Set 2.1: A 588 THR OG1 : rot -9:sc= 0.28 USER MOD Set 2.2: A 590 LYS NZ :NH3+ 132:sc= 0.173 (180deg=0.237) USER MOD Single : A 552 THR OG1 : rot 180:sc= 0.00251 USER MOD Single : A 555 THR OG1 : rot -173:sc= -0.324 USER MOD Single : A 556 THR OG1 : rot 180:sc= 0 USER MOD Single : A 559 GLN : amide:sc= -0.704 K(o=-0.7,f=-3.2!) USER MOD Single : A 560 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 564 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 567 LYS NZ :NH3+ -121:sc= 0.604 (180deg=0.25) USER MOD Single : A 568 THR OG1 : rot 65:sc= 1.02 USER MOD Single : A 569 TYR OH : rot 180:sc= 0 USER MOD Single : A 572 ASN : amide:sc=-0.00241 X(o=-0.0024,f=-0.18) USER MOD Single : A 573 THR OG1 : rot 180:sc= -0.525 USER MOD Single : A 578 LYS NZ :NH3+ 168:sc= -0.0115 (180deg=-0.177) USER MOD Single : A 579 LYS NZ :NH3+ -167:sc= -0.0413 (180deg=-0.261) USER MOD Single : A 589 LYS NZ :NH3+ 145:sc= -0.244 (180deg=-1.33) USER MOD Single : A 592 CYS SG : rot 62:sc= -1.12! USER MOD Single : A 593 MET CE :methyl -169:sc= -0.195 (180deg=-0.338) USER MOD Single : A 594 LYS NZ :NH3+ -118:sc= 0.447 (180deg=0.155) USER MOD Single : A 596 TYR OH : rot 180:sc= 0 USER MOD Single : A 597 LYS NZ :NH3+ 159:sc= 0.543 (180deg=0.175) USER MOD Single : A 602 MET CE :methyl 177:sc= -1.17 (180deg=-1.18) USER MOD Single : A 604 LYS NZ :NH3+ 148:sc= 0.762 (180deg=0.244) USER MOD Single : A 607 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 612 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 615 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 617 SER OG : rot 180:sc= 0 USER MOD Single : A 620 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00936) USER MOD Single : A 621 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 551 -1.980 -2.096 5.739 1.00 0.00 N ATOM 2 CA PHE A 551 -1.922 -3.364 4.999 1.00 0.00 C ATOM 3 C PHE A 551 -3.360 -3.808 4.683 1.00 0.00 C ATOM 4 O PHE A 551 -4.305 -3.433 5.403 1.00 0.00 O ATOM 5 CB PHE A 551 -1.164 -4.449 5.823 1.00 0.00 C ATOM 6 CG PHE A 551 -1.806 -4.829 7.170 1.00 0.00 C ATOM 7 CD1 PHE A 551 -1.709 -3.988 8.286 1.00 0.00 C ATOM 8 CD2 PHE A 551 -2.509 -6.031 7.326 1.00 0.00 C ATOM 9 CE1 PHE A 551 -2.283 -4.336 9.498 1.00 0.00 C ATOM 10 CE2 PHE A 551 -3.080 -6.377 8.541 1.00 0.00 C ATOM 11 CZ PHE A 551 -2.967 -5.530 9.624 1.00 0.00 C ATOM 0 HA PHE A 551 -1.372 -3.227 4.068 1.00 0.00 H new ATOM 0 HB2 PHE A 551 -1.080 -5.349 5.214 1.00 0.00 H new ATOM 0 HB3 PHE A 551 -0.150 -4.095 6.011 1.00 0.00 H new ATOM 0 HD1 PHE A 551 -1.177 -3.052 8.200 1.00 0.00 H new ATOM 0 HD2 PHE A 551 -2.608 -6.700 6.484 1.00 0.00 H new ATOM 0 HE1 PHE A 551 -2.196 -3.673 10.346 1.00 0.00 H new ATOM 0 HE2 PHE A 551 -3.614 -7.311 8.640 1.00 0.00 H new ATOM 0 HZ PHE A 551 -3.413 -5.800 10.570 1.00 0.00 H new ATOM 21 N THR A 552 -3.524 -4.586 3.606 1.00 0.00 N ATOM 22 CA THR A 552 -4.814 -5.190 3.233 1.00 0.00 C ATOM 23 C THR A 552 -5.240 -6.244 4.293 1.00 0.00 C ATOM 24 O THR A 552 -4.372 -6.962 4.819 1.00 0.00 O ATOM 25 CB THR A 552 -4.699 -5.861 1.824 1.00 0.00 C ATOM 26 OG1 THR A 552 -3.554 -6.733 1.799 1.00 0.00 O ATOM 27 CG2 THR A 552 -4.572 -4.832 0.684 1.00 0.00 C ATOM 0 H THR A 552 -2.765 -4.817 2.965 1.00 0.00 H new ATOM 0 HA THR A 552 -5.572 -4.408 3.194 1.00 0.00 H new ATOM 0 HB THR A 552 -5.619 -6.422 1.660 1.00 0.00 H new ATOM 0 HG1 THR A 552 -3.483 -7.155 0.917 1.00 0.00 H new ATOM 0 HG21 THR A 552 -4.496 -5.354 -0.270 1.00 0.00 H new ATOM 0 HG22 THR A 552 -5.451 -4.188 0.676 1.00 0.00 H new ATOM 0 HG23 THR A 552 -3.679 -4.226 0.839 1.00 0.00 H new ATOM 35 N PRO A 553 -6.569 -6.354 4.623 1.00 0.00 N ATOM 36 CA PRO A 553 -7.070 -7.320 5.642 1.00 0.00 C ATOM 37 C PRO A 553 -6.960 -8.795 5.179 1.00 0.00 C ATOM 38 O PRO A 553 -6.482 -9.082 4.073 1.00 0.00 O ATOM 39 CB PRO A 553 -8.551 -6.884 5.843 1.00 0.00 C ATOM 40 CG PRO A 553 -8.930 -6.274 4.528 1.00 0.00 C ATOM 41 CD PRO A 553 -7.686 -5.555 4.044 1.00 0.00 C ATOM 0 HA PRO A 553 -6.484 -7.295 6.561 1.00 0.00 H new ATOM 0 HB2 PRO A 553 -9.188 -7.734 6.087 1.00 0.00 H new ATOM 0 HB3 PRO A 553 -8.649 -6.168 6.659 1.00 0.00 H new ATOM 0 HG2 PRO A 553 -9.244 -7.038 3.817 1.00 0.00 H new ATOM 0 HG3 PRO A 553 -9.764 -5.582 4.642 1.00 0.00 H new ATOM 0 HD2 PRO A 553 -7.637 -5.528 2.955 1.00 0.00 H new ATOM 0 HD3 PRO A 553 -7.661 -4.522 4.390 1.00 0.00 H new ATOM 49 N TRP A 554 -7.405 -9.713 6.049 1.00 0.00 N ATOM 50 CA TRP A 554 -7.373 -11.161 5.790 1.00 0.00 C ATOM 51 C TRP A 554 -8.266 -11.537 4.595 1.00 0.00 C ATOM 52 O TRP A 554 -9.478 -11.291 4.606 1.00 0.00 O ATOM 53 CB TRP A 554 -7.779 -11.939 7.068 1.00 0.00 C ATOM 54 CG TRP A 554 -6.635 -12.181 8.019 1.00 0.00 C ATOM 55 CD1 TRP A 554 -6.068 -11.298 8.898 1.00 0.00 C ATOM 56 CD2 TRP A 554 -5.912 -13.406 8.157 1.00 0.00 C ATOM 57 NE1 TRP A 554 -5.050 -11.908 9.582 1.00 0.00 N ATOM 58 CE2 TRP A 554 -4.938 -13.204 9.138 1.00 0.00 C ATOM 59 CE3 TRP A 554 -6.014 -14.661 7.552 1.00 0.00 C ATOM 60 CZ2 TRP A 554 -4.063 -14.208 9.521 1.00 0.00 C ATOM 61 CZ3 TRP A 554 -5.138 -15.652 7.935 1.00 0.00 C ATOM 62 CH2 TRP A 554 -4.175 -15.421 8.913 1.00 0.00 C ATOM 0 H TRP A 554 -7.800 -9.471 6.958 1.00 0.00 H new ATOM 0 HA TRP A 554 -6.353 -11.442 5.526 1.00 0.00 H new ATOM 0 HB2 TRP A 554 -8.561 -11.384 7.587 1.00 0.00 H new ATOM 0 HB3 TRP A 554 -8.208 -12.898 6.778 1.00 0.00 H new ATOM 0 HD1 TRP A 554 -6.378 -10.272 9.032 1.00 0.00 H new ATOM 0 HE1 TRP A 554 -4.472 -11.473 10.301 1.00 0.00 H new ATOM 0 HE3 TRP A 554 -6.765 -14.850 6.799 1.00 0.00 H new ATOM 0 HZ2 TRP A 554 -3.314 -14.033 10.279 1.00 0.00 H new ATOM 0 HZ3 TRP A 554 -5.199 -16.624 7.469 1.00 0.00 H new ATOM 0 HH2 TRP A 554 -3.504 -16.219 9.195 1.00 0.00 H new ATOM 73 N THR A 555 -7.630 -12.125 3.580 1.00 0.00 N ATOM 74 CA THR A 555 -8.283 -12.578 2.353 1.00 0.00 C ATOM 75 C THR A 555 -9.046 -13.882 2.601 1.00 0.00 C ATOM 76 O THR A 555 -8.723 -14.619 3.528 1.00 0.00 O ATOM 77 CB THR A 555 -7.223 -12.801 1.242 1.00 0.00 C ATOM 78 OG1 THR A 555 -6.236 -13.721 1.728 1.00 0.00 O ATOM 79 CG2 THR A 555 -6.544 -11.490 0.807 1.00 0.00 C ATOM 0 H THR A 555 -6.626 -12.303 3.589 1.00 0.00 H new ATOM 0 HA THR A 555 -8.989 -11.811 2.034 1.00 0.00 H new ATOM 0 HB THR A 555 -7.730 -13.203 0.365 1.00 0.00 H new ATOM 0 HG1 THR A 555 -5.506 -13.792 1.077 1.00 0.00 H new ATOM 0 HG21 THR A 555 -5.811 -11.701 0.028 1.00 0.00 H new ATOM 0 HG22 THR A 555 -7.296 -10.802 0.421 1.00 0.00 H new ATOM 0 HG23 THR A 555 -6.044 -11.038 1.663 1.00 0.00 H new ATOM 87 N THR A 556 -10.038 -14.160 1.740 1.00 0.00 N ATOM 88 CA THR A 556 -10.905 -15.345 1.850 1.00 0.00 C ATOM 89 C THR A 556 -10.097 -16.655 1.694 1.00 0.00 C ATOM 90 O THR A 556 -10.427 -17.671 2.320 1.00 0.00 O ATOM 91 CB THR A 556 -12.045 -15.282 0.783 1.00 0.00 C ATOM 92 OG1 THR A 556 -12.679 -13.990 0.841 1.00 0.00 O ATOM 93 CG2 THR A 556 -13.121 -16.370 0.982 1.00 0.00 C ATOM 0 H THR A 556 -10.263 -13.565 0.943 1.00 0.00 H new ATOM 0 HA THR A 556 -11.348 -15.343 2.846 1.00 0.00 H new ATOM 0 HB THR A 556 -11.580 -15.455 -0.188 1.00 0.00 H new ATOM 0 HG1 THR A 556 -13.394 -13.946 0.172 1.00 0.00 H new ATOM 0 HG21 THR A 556 -13.884 -16.273 0.210 1.00 0.00 H new ATOM 0 HG22 THR A 556 -12.659 -17.355 0.914 1.00 0.00 H new ATOM 0 HG23 THR A 556 -13.581 -16.252 1.963 1.00 0.00 H new ATOM 101 N GLU A 557 -9.026 -16.598 0.870 1.00 0.00 N ATOM 102 CA GLU A 557 -8.089 -17.725 0.675 1.00 0.00 C ATOM 103 C GLU A 557 -7.289 -17.981 1.963 1.00 0.00 C ATOM 104 O GLU A 557 -7.279 -19.094 2.472 1.00 0.00 O ATOM 105 CB GLU A 557 -7.133 -17.512 -0.553 1.00 0.00 C ATOM 106 CG GLU A 557 -6.528 -16.091 -0.716 1.00 0.00 C ATOM 107 CD GLU A 557 -7.339 -15.182 -1.666 1.00 0.00 C ATOM 108 OE1 GLU A 557 -8.402 -14.660 -1.264 1.00 0.00 O ATOM 109 OE2 GLU A 557 -6.932 -14.999 -2.830 1.00 0.00 O ATOM 0 H GLU A 557 -8.788 -15.770 0.323 1.00 0.00 H new ATOM 0 HA GLU A 557 -8.687 -18.608 0.448 1.00 0.00 H new ATOM 0 HB2 GLU A 557 -6.313 -18.226 -0.476 1.00 0.00 H new ATOM 0 HB3 GLU A 557 -7.684 -17.756 -1.462 1.00 0.00 H new ATOM 0 HG2 GLU A 557 -6.466 -15.616 0.263 1.00 0.00 H new ATOM 0 HG3 GLU A 557 -5.509 -16.179 -1.092 1.00 0.00 H new ATOM 116 N GLU A 558 -6.650 -16.934 2.510 1.00 0.00 N ATOM 117 CA GLU A 558 -5.895 -17.044 3.782 1.00 0.00 C ATOM 118 C GLU A 558 -6.825 -17.392 4.972 1.00 0.00 C ATOM 119 O GLU A 558 -6.379 -17.999 5.950 1.00 0.00 O ATOM 120 CB GLU A 558 -5.070 -15.743 4.056 1.00 0.00 C ATOM 121 CG GLU A 558 -3.659 -15.718 3.418 1.00 0.00 C ATOM 122 CD GLU A 558 -3.652 -15.936 1.896 1.00 0.00 C ATOM 123 OE1 GLU A 558 -3.747 -14.945 1.143 1.00 0.00 O ATOM 124 OE2 GLU A 558 -3.543 -17.090 1.436 1.00 0.00 O ATOM 0 H GLU A 558 -6.637 -16.001 2.097 1.00 0.00 H new ATOM 0 HA GLU A 558 -5.190 -17.869 3.679 1.00 0.00 H new ATOM 0 HB2 GLU A 558 -5.635 -14.887 3.686 1.00 0.00 H new ATOM 0 HB3 GLU A 558 -4.968 -15.616 5.134 1.00 0.00 H new ATOM 0 HG2 GLU A 558 -3.190 -14.759 3.639 1.00 0.00 H new ATOM 0 HG3 GLU A 558 -3.047 -16.488 3.887 1.00 0.00 H new ATOM 131 N GLN A 559 -8.117 -17.012 4.864 1.00 0.00 N ATOM 132 CA GLN A 559 -9.149 -17.298 5.885 1.00 0.00 C ATOM 133 C GLN A 559 -9.601 -18.765 5.845 1.00 0.00 C ATOM 134 O GLN A 559 -9.877 -19.338 6.898 1.00 0.00 O ATOM 135 CB GLN A 559 -10.373 -16.337 5.732 1.00 0.00 C ATOM 136 CG GLN A 559 -10.169 -14.961 6.393 1.00 0.00 C ATOM 137 CD GLN A 559 -10.169 -15.036 7.919 1.00 0.00 C ATOM 138 OE1 GLN A 559 -11.201 -14.851 8.566 1.00 0.00 O ATOM 139 NE2 GLN A 559 -9.026 -15.357 8.507 1.00 0.00 N ATOM 0 H GLN A 559 -8.475 -16.495 4.061 1.00 0.00 H new ATOM 0 HA GLN A 559 -8.694 -17.121 6.860 1.00 0.00 H new ATOM 0 HB2 GLN A 559 -10.580 -16.193 4.672 1.00 0.00 H new ATOM 0 HB3 GLN A 559 -11.253 -16.812 6.167 1.00 0.00 H new ATOM 0 HG2 GLN A 559 -9.224 -14.536 6.054 1.00 0.00 H new ATOM 0 HG3 GLN A 559 -10.959 -14.284 6.066 1.00 0.00 H new ATOM 0 HE21 GLN A 559 -8.187 -15.504 7.945 1.00 0.00 H new ATOM 0 HE22 GLN A 559 -8.985 -15.457 9.521 1.00 0.00 H new ATOM 148 N LYS A 560 -9.681 -19.364 4.639 1.00 0.00 N ATOM 149 CA LYS A 560 -10.071 -20.789 4.498 1.00 0.00 C ATOM 150 C LYS A 560 -8.883 -21.697 4.886 1.00 0.00 C ATOM 151 O LYS A 560 -9.090 -22.815 5.365 1.00 0.00 O ATOM 152 CB LYS A 560 -10.579 -21.123 3.061 1.00 0.00 C ATOM 153 CG LYS A 560 -9.486 -21.174 1.966 1.00 0.00 C ATOM 154 CD LYS A 560 -10.035 -21.430 0.548 1.00 0.00 C ATOM 155 CE LYS A 560 -10.981 -20.313 0.061 1.00 0.00 C ATOM 156 NZ LYS A 560 -11.357 -20.493 -1.359 1.00 0.00 N ATOM 0 H LYS A 560 -9.484 -18.893 3.756 1.00 0.00 H new ATOM 0 HA LYS A 560 -10.904 -20.976 5.176 1.00 0.00 H new ATOM 0 HB2 LYS A 560 -11.087 -22.087 3.088 1.00 0.00 H new ATOM 0 HB3 LYS A 560 -11.322 -20.379 2.774 1.00 0.00 H new ATOM 0 HG2 LYS A 560 -8.939 -20.231 1.969 1.00 0.00 H new ATOM 0 HG3 LYS A 560 -8.771 -21.958 2.216 1.00 0.00 H new ATOM 0 HD2 LYS A 560 -9.201 -21.522 -0.148 1.00 0.00 H new ATOM 0 HD3 LYS A 560 -10.567 -22.381 0.536 1.00 0.00 H new ATOM 0 HE2 LYS A 560 -11.880 -20.304 0.677 1.00 0.00 H new ATOM 0 HE3 LYS A 560 -10.497 -19.345 0.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 560 -11.993 -19.723 -1.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 560 -10.501 -20.477 -1.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 560 -11.841 -21.406 -1.477 1.00 0.00 H new ATOM 170 N LEU A 561 -7.648 -21.187 4.671 1.00 0.00 N ATOM 171 CA LEU A 561 -6.403 -21.891 5.029 1.00 0.00 C ATOM 172 C LEU A 561 -6.196 -21.835 6.549 1.00 0.00 C ATOM 173 O LEU A 561 -5.706 -22.798 7.146 1.00 0.00 O ATOM 174 CB LEU A 561 -5.203 -21.257 4.280 1.00 0.00 C ATOM 175 CG LEU A 561 -5.238 -21.403 2.726 1.00 0.00 C ATOM 176 CD1 LEU A 561 -4.160 -20.530 2.058 1.00 0.00 C ATOM 177 CD2 LEU A 561 -5.128 -22.886 2.298 1.00 0.00 C ATOM 0 H LEU A 561 -7.491 -20.274 4.244 1.00 0.00 H new ATOM 0 HA LEU A 561 -6.476 -22.937 4.730 1.00 0.00 H new ATOM 0 HB2 LEU A 561 -5.159 -20.197 4.529 1.00 0.00 H new ATOM 0 HB3 LEU A 561 -4.283 -21.710 4.651 1.00 0.00 H new ATOM 0 HG LEU A 561 -6.205 -21.040 2.379 1.00 0.00 H new ATOM 0 HD11 LEU A 561 -4.210 -20.654 0.976 1.00 0.00 H new ATOM 0 HD12 LEU A 561 -4.330 -19.484 2.312 1.00 0.00 H new ATOM 0 HD13 LEU A 561 -3.175 -20.833 2.412 1.00 0.00 H new ATOM 0 HD21 LEU A 561 -5.155 -22.954 1.210 1.00 0.00 H new ATOM 0 HD22 LEU A 561 -4.189 -23.302 2.664 1.00 0.00 H new ATOM 0 HD23 LEU A 561 -5.962 -23.449 2.718 1.00 0.00 H new ATOM 189 N LEU A 562 -6.586 -20.692 7.157 1.00 0.00 N ATOM 190 CA LEU A 562 -6.568 -20.515 8.622 1.00 0.00 C ATOM 191 C LEU A 562 -7.631 -21.430 9.265 1.00 0.00 C ATOM 192 O LEU A 562 -7.314 -22.209 10.148 1.00 0.00 O ATOM 193 CB LEU A 562 -6.812 -19.025 9.014 1.00 0.00 C ATOM 194 CG LEU A 562 -6.685 -18.684 10.538 1.00 0.00 C ATOM 195 CD1 LEU A 562 -5.252 -18.960 11.060 1.00 0.00 C ATOM 196 CD2 LEU A 562 -7.131 -17.230 10.826 1.00 0.00 C ATOM 0 H LEU A 562 -6.919 -19.873 6.648 1.00 0.00 H new ATOM 0 HA LEU A 562 -5.582 -20.793 8.995 1.00 0.00 H new ATOM 0 HB2 LEU A 562 -6.104 -18.405 8.464 1.00 0.00 H new ATOM 0 HB3 LEU A 562 -7.810 -18.742 8.681 1.00 0.00 H new ATOM 0 HG LEU A 562 -7.359 -19.344 11.084 1.00 0.00 H new ATOM 0 HD11 LEU A 562 -5.197 -18.713 12.120 1.00 0.00 H new ATOM 0 HD12 LEU A 562 -5.010 -20.014 10.920 1.00 0.00 H new ATOM 0 HD13 LEU A 562 -4.539 -18.348 10.508 1.00 0.00 H new ATOM 0 HD21 LEU A 562 -7.032 -17.023 11.892 1.00 0.00 H new ATOM 0 HD22 LEU A 562 -6.505 -16.539 10.262 1.00 0.00 H new ATOM 0 HD23 LEU A 562 -8.172 -17.103 10.527 1.00 0.00 H new ATOM 208 N GLU A 563 -8.875 -21.346 8.746 1.00 0.00 N ATOM 209 CA GLU A 563 -10.048 -22.152 9.200 1.00 0.00 C ATOM 210 C GLU A 563 -9.748 -23.657 9.161 1.00 0.00 C ATOM 211 O GLU A 563 -10.140 -24.401 10.069 1.00 0.00 O ATOM 212 CB GLU A 563 -11.318 -21.807 8.327 1.00 0.00 C ATOM 213 CG GLU A 563 -12.312 -20.832 8.995 1.00 0.00 C ATOM 214 CD GLU A 563 -13.101 -21.519 10.126 1.00 0.00 C ATOM 215 OE1 GLU A 563 -12.637 -21.529 11.287 1.00 0.00 O ATOM 216 OE2 GLU A 563 -14.181 -22.093 9.846 1.00 0.00 O ATOM 0 H GLU A 563 -9.105 -20.707 7.985 1.00 0.00 H new ATOM 0 HA GLU A 563 -10.256 -21.890 10.238 1.00 0.00 H new ATOM 0 HB2 GLU A 563 -10.987 -21.377 7.382 1.00 0.00 H new ATOM 0 HB3 GLU A 563 -11.842 -22.733 8.089 1.00 0.00 H new ATOM 0 HG2 GLU A 563 -11.770 -19.976 9.396 1.00 0.00 H new ATOM 0 HG3 GLU A 563 -13.006 -20.448 8.247 1.00 0.00 H new ATOM 223 N GLN A 564 -9.043 -24.077 8.097 1.00 0.00 N ATOM 224 CA GLN A 564 -8.568 -25.460 7.947 1.00 0.00 C ATOM 225 C GLN A 564 -7.566 -25.782 9.061 1.00 0.00 C ATOM 226 O GLN A 564 -7.763 -26.719 9.833 1.00 0.00 O ATOM 227 CB GLN A 564 -7.904 -25.658 6.562 1.00 0.00 C ATOM 228 CG GLN A 564 -7.313 -27.064 6.320 1.00 0.00 C ATOM 229 CD GLN A 564 -6.530 -27.161 5.012 1.00 0.00 C ATOM 230 OE1 GLN A 564 -7.089 -27.477 3.964 1.00 0.00 O ATOM 231 NE2 GLN A 564 -5.243 -26.853 5.054 1.00 0.00 N ATOM 0 H GLN A 564 -8.788 -23.468 7.320 1.00 0.00 H new ATOM 0 HA GLN A 564 -9.420 -26.136 8.020 1.00 0.00 H new ATOM 0 HB2 GLN A 564 -8.643 -25.452 5.788 1.00 0.00 H new ATOM 0 HB3 GLN A 564 -7.109 -24.921 6.447 1.00 0.00 H new ATOM 0 HG2 GLN A 564 -6.657 -27.325 7.151 1.00 0.00 H new ATOM 0 HG3 GLN A 564 -8.121 -27.796 6.309 1.00 0.00 H new ATOM 0 HE21 GLN A 564 -4.809 -26.595 5.940 1.00 0.00 H new ATOM 0 HE22 GLN A 564 -4.685 -26.874 4.200 1.00 0.00 H new ATOM 240 N ALA A 565 -6.531 -24.931 9.152 1.00 0.00 N ATOM 241 CA ALA A 565 -5.359 -25.128 10.031 1.00 0.00 C ATOM 242 C ALA A 565 -5.720 -25.102 11.540 1.00 0.00 C ATOM 243 O ALA A 565 -5.027 -25.717 12.365 1.00 0.00 O ATOM 244 CB ALA A 565 -4.305 -24.066 9.702 1.00 0.00 C ATOM 0 H ALA A 565 -6.481 -24.070 8.608 1.00 0.00 H new ATOM 0 HA ALA A 565 -4.960 -26.124 9.838 1.00 0.00 H new ATOM 0 HB1 ALA A 565 -3.436 -24.204 10.346 1.00 0.00 H new ATOM 0 HB2 ALA A 565 -4.003 -24.164 8.659 1.00 0.00 H new ATOM 0 HB3 ALA A 565 -4.725 -23.074 9.866 1.00 0.00 H new ATOM 250 N LEU A 566 -6.802 -24.382 11.888 1.00 0.00 N ATOM 251 CA LEU A 566 -7.309 -24.302 13.273 1.00 0.00 C ATOM 252 C LEU A 566 -7.912 -25.655 13.703 1.00 0.00 C ATOM 253 O LEU A 566 -7.864 -26.011 14.884 1.00 0.00 O ATOM 254 CB LEU A 566 -8.357 -23.160 13.404 1.00 0.00 C ATOM 255 CG LEU A 566 -7.820 -21.713 13.150 1.00 0.00 C ATOM 256 CD1 LEU A 566 -8.964 -20.675 13.142 1.00 0.00 C ATOM 257 CD2 LEU A 566 -6.709 -21.340 14.159 1.00 0.00 C ATOM 0 H LEU A 566 -7.350 -23.840 11.220 1.00 0.00 H new ATOM 0 HA LEU A 566 -6.475 -24.074 13.937 1.00 0.00 H new ATOM 0 HB2 LEU A 566 -9.169 -23.355 12.703 1.00 0.00 H new ATOM 0 HB3 LEU A 566 -8.785 -23.198 14.406 1.00 0.00 H new ATOM 0 HG LEU A 566 -7.372 -21.698 12.157 1.00 0.00 H new ATOM 0 HD11 LEU A 566 -8.553 -19.682 12.963 1.00 0.00 H new ATOM 0 HD12 LEU A 566 -9.674 -20.922 12.352 1.00 0.00 H new ATOM 0 HD13 LEU A 566 -9.474 -20.688 14.105 1.00 0.00 H new ATOM 0 HD21 LEU A 566 -6.357 -20.329 13.955 1.00 0.00 H new ATOM 0 HD22 LEU A 566 -7.107 -21.389 15.173 1.00 0.00 H new ATOM 0 HD23 LEU A 566 -5.879 -22.039 14.061 1.00 0.00 H new ATOM 269 N LYS A 567 -8.462 -26.400 12.725 1.00 0.00 N ATOM 270 CA LYS A 567 -9.087 -27.719 12.952 1.00 0.00 C ATOM 271 C LYS A 567 -8.071 -28.866 12.743 1.00 0.00 C ATOM 272 O LYS A 567 -8.165 -29.913 13.394 1.00 0.00 O ATOM 273 CB LYS A 567 -10.290 -27.907 11.990 1.00 0.00 C ATOM 274 CG LYS A 567 -11.344 -26.784 12.054 1.00 0.00 C ATOM 275 CD LYS A 567 -12.565 -27.074 11.152 1.00 0.00 C ATOM 276 CE LYS A 567 -13.572 -25.910 11.111 1.00 0.00 C ATOM 277 NZ LYS A 567 -12.992 -24.690 10.495 1.00 0.00 N ATOM 0 H LYS A 567 -8.486 -26.103 11.750 1.00 0.00 H new ATOM 0 HA LYS A 567 -9.434 -27.753 13.985 1.00 0.00 H new ATOM 0 HB2 LYS A 567 -9.915 -27.977 10.969 1.00 0.00 H new ATOM 0 HB3 LYS A 567 -10.775 -28.856 12.217 1.00 0.00 H new ATOM 0 HG2 LYS A 567 -11.677 -26.660 13.084 1.00 0.00 H new ATOM 0 HG3 LYS A 567 -10.887 -25.842 11.751 1.00 0.00 H new ATOM 0 HD2 LYS A 567 -12.220 -27.285 10.140 1.00 0.00 H new ATOM 0 HD3 LYS A 567 -13.070 -27.971 11.510 1.00 0.00 H new ATOM 0 HE2 LYS A 567 -14.455 -26.215 10.549 1.00 0.00 H new ATOM 0 HE3 LYS A 567 -13.903 -25.682 12.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 567 -13.028 -23.906 11.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 567 -12.003 -24.872 10.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 567 -13.538 -24.436 9.647 1.00 0.00 H new ATOM 291 N THR A 568 -7.119 -28.657 11.813 1.00 0.00 N ATOM 292 CA THR A 568 -6.108 -29.667 11.436 1.00 0.00 C ATOM 293 C THR A 568 -5.071 -29.828 12.558 1.00 0.00 C ATOM 294 O THR A 568 -4.735 -30.947 12.969 1.00 0.00 O ATOM 295 CB THR A 568 -5.380 -29.260 10.100 1.00 0.00 C ATOM 296 OG1 THR A 568 -6.345 -29.027 9.061 1.00 0.00 O ATOM 297 CG2 THR A 568 -4.375 -30.336 9.633 1.00 0.00 C ATOM 0 H THR A 568 -7.028 -27.780 11.300 1.00 0.00 H new ATOM 0 HA THR A 568 -6.622 -30.616 11.281 1.00 0.00 H new ATOM 0 HB THR A 568 -4.823 -28.346 10.304 1.00 0.00 H new ATOM 0 HG1 THR A 568 -6.895 -28.250 9.293 1.00 0.00 H new ATOM 0 HG21 THR A 568 -3.898 -30.011 8.708 1.00 0.00 H new ATOM 0 HG22 THR A 568 -3.616 -30.483 10.401 1.00 0.00 H new ATOM 0 HG23 THR A 568 -4.901 -31.275 9.459 1.00 0.00 H new ATOM 305 N TYR A 569 -4.569 -28.690 13.045 1.00 0.00 N ATOM 306 CA TYR A 569 -3.532 -28.648 14.084 1.00 0.00 C ATOM 307 C TYR A 569 -4.209 -28.362 15.438 1.00 0.00 C ATOM 308 O TYR A 569 -4.962 -27.385 15.536 1.00 0.00 O ATOM 309 CB TYR A 569 -2.470 -27.567 13.725 1.00 0.00 C ATOM 310 CG TYR A 569 -1.951 -27.696 12.282 1.00 0.00 C ATOM 311 CD1 TYR A 569 -1.241 -28.828 11.863 1.00 0.00 C ATOM 312 CD2 TYR A 569 -2.211 -26.716 11.330 1.00 0.00 C ATOM 313 CE1 TYR A 569 -0.804 -28.956 10.557 1.00 0.00 C ATOM 314 CE2 TYR A 569 -1.785 -26.844 10.024 1.00 0.00 C ATOM 315 CZ TYR A 569 -1.083 -27.963 9.641 1.00 0.00 C ATOM 316 OH TYR A 569 -0.656 -28.086 8.339 1.00 0.00 O ATOM 0 H TYR A 569 -4.870 -27.768 12.730 1.00 0.00 H new ATOM 0 HA TYR A 569 -3.012 -29.603 14.150 1.00 0.00 H new ATOM 0 HB2 TYR A 569 -2.905 -26.577 13.862 1.00 0.00 H new ATOM 0 HB3 TYR A 569 -1.631 -27.645 14.416 1.00 0.00 H new ATOM 0 HD1 TYR A 569 -1.031 -29.615 12.572 1.00 0.00 H new ATOM 0 HD2 TYR A 569 -2.760 -25.833 11.620 1.00 0.00 H new ATOM 0 HE1 TYR A 569 -0.246 -29.830 10.255 1.00 0.00 H new ATOM 0 HE2 TYR A 569 -2.002 -26.068 9.305 1.00 0.00 H new ATOM 0 HH TYR A 569 -0.937 -27.299 7.827 1.00 0.00 H new ATOM 326 N PRO A 570 -4.027 -29.238 16.476 1.00 0.00 N ATOM 327 CA PRO A 570 -4.580 -28.997 17.826 1.00 0.00 C ATOM 328 C PRO A 570 -3.790 -27.903 18.575 1.00 0.00 C ATOM 329 O PRO A 570 -2.592 -27.715 18.325 1.00 0.00 O ATOM 330 CB PRO A 570 -4.458 -30.378 18.519 1.00 0.00 C ATOM 331 CG PRO A 570 -3.287 -31.030 17.849 1.00 0.00 C ATOM 332 CD PRO A 570 -3.298 -30.536 16.410 1.00 0.00 C ATOM 0 HA PRO A 570 -5.606 -28.630 17.805 1.00 0.00 H new ATOM 0 HB2 PRO A 570 -4.293 -30.271 19.591 1.00 0.00 H new ATOM 0 HB3 PRO A 570 -5.366 -30.967 18.393 1.00 0.00 H new ATOM 0 HG2 PRO A 570 -2.355 -30.763 18.346 1.00 0.00 H new ATOM 0 HG3 PRO A 570 -3.370 -32.116 17.889 1.00 0.00 H new ATOM 0 HD2 PRO A 570 -2.286 -30.406 16.026 1.00 0.00 H new ATOM 0 HD3 PRO A 570 -3.801 -31.243 15.750 1.00 0.00 H new ATOM 340 N VAL A 571 -4.480 -27.195 19.487 1.00 0.00 N ATOM 341 CA VAL A 571 -3.881 -26.134 20.327 1.00 0.00 C ATOM 342 C VAL A 571 -2.786 -26.716 21.264 1.00 0.00 C ATOM 343 O VAL A 571 -1.842 -26.015 21.638 1.00 0.00 O ATOM 344 CB VAL A 571 -4.989 -25.378 21.153 1.00 0.00 C ATOM 345 CG1 VAL A 571 -5.771 -26.353 22.075 1.00 0.00 C ATOM 346 CG2 VAL A 571 -4.390 -24.185 21.955 1.00 0.00 C ATOM 0 H VAL A 571 -5.474 -27.341 19.665 1.00 0.00 H new ATOM 0 HA VAL A 571 -3.404 -25.411 19.665 1.00 0.00 H new ATOM 0 HB VAL A 571 -5.701 -24.962 20.441 1.00 0.00 H new ATOM 0 HG11 VAL A 571 -6.528 -25.800 22.631 1.00 0.00 H new ATOM 0 HG12 VAL A 571 -6.254 -27.119 21.468 1.00 0.00 H new ATOM 0 HG13 VAL A 571 -5.081 -26.826 22.774 1.00 0.00 H new ATOM 0 HG21 VAL A 571 -5.183 -23.687 22.513 1.00 0.00 H new ATOM 0 HG22 VAL A 571 -3.636 -24.555 22.649 1.00 0.00 H new ATOM 0 HG23 VAL A 571 -3.931 -23.477 21.265 1.00 0.00 H new ATOM 356 N ASN A 572 -2.913 -28.022 21.581 1.00 0.00 N ATOM 357 CA ASN A 572 -1.980 -28.759 22.468 1.00 0.00 C ATOM 358 C ASN A 572 -0.552 -28.812 21.886 1.00 0.00 C ATOM 359 O ASN A 572 0.421 -28.987 22.632 1.00 0.00 O ATOM 360 CB ASN A 572 -2.495 -30.198 22.700 1.00 0.00 C ATOM 361 CG ASN A 572 -3.892 -30.233 23.313 1.00 0.00 C ATOM 362 OD1 ASN A 572 -4.891 -30.259 22.592 1.00 0.00 O ATOM 363 ND2 ASN A 572 -3.979 -30.199 24.633 1.00 0.00 N ATOM 0 H ASN A 572 -3.673 -28.603 21.226 1.00 0.00 H new ATOM 0 HA ASN A 572 -1.938 -28.221 23.415 1.00 0.00 H new ATOM 0 HB2 ASN A 572 -2.506 -30.733 21.750 1.00 0.00 H new ATOM 0 HB3 ASN A 572 -1.802 -30.726 23.355 1.00 0.00 H new ATOM 0 HD21 ASN A 572 -4.894 -30.194 25.084 1.00 0.00 H new ATOM 0 HD22 ASN A 572 -3.131 -30.178 25.200 1.00 0.00 H new ATOM 370 N THR A 573 -0.450 -28.690 20.553 1.00 0.00 N ATOM 371 CA THR A 573 0.828 -28.642 19.837 1.00 0.00 C ATOM 372 C THR A 573 1.580 -27.324 20.168 1.00 0.00 C ATOM 373 O THR A 573 0.996 -26.248 20.030 1.00 0.00 O ATOM 374 CB THR A 573 0.581 -28.764 18.293 1.00 0.00 C ATOM 375 OG1 THR A 573 -0.198 -29.941 18.029 1.00 0.00 O ATOM 376 CG2 THR A 573 1.884 -28.844 17.482 1.00 0.00 C ATOM 0 H THR A 573 -1.262 -28.622 19.939 1.00 0.00 H new ATOM 0 HA THR A 573 1.447 -29.480 20.158 1.00 0.00 H new ATOM 0 HB THR A 573 0.055 -27.861 17.983 1.00 0.00 H new ATOM 0 HG1 THR A 573 -0.356 -30.019 17.065 1.00 0.00 H new ATOM 0 HG21 THR A 573 1.648 -28.927 16.421 1.00 0.00 H new ATOM 0 HG22 THR A 573 2.475 -27.944 17.653 1.00 0.00 H new ATOM 0 HG23 THR A 573 2.455 -29.718 17.796 1.00 0.00 H new ATOM 384 N PRO A 574 2.874 -27.380 20.631 1.00 0.00 N ATOM 385 CA PRO A 574 3.700 -26.160 20.873 1.00 0.00 C ATOM 386 C PRO A 574 4.053 -25.448 19.543 1.00 0.00 C ATOM 387 O PRO A 574 4.358 -24.257 19.515 1.00 0.00 O ATOM 388 CB PRO A 574 4.964 -26.714 21.576 1.00 0.00 C ATOM 389 CG PRO A 574 5.065 -28.129 21.091 1.00 0.00 C ATOM 390 CD PRO A 574 3.634 -28.615 20.971 1.00 0.00 C ATOM 0 HA PRO A 574 3.184 -25.408 21.469 1.00 0.00 H new ATOM 0 HB2 PRO A 574 5.851 -26.138 21.312 1.00 0.00 H new ATOM 0 HB3 PRO A 574 4.867 -26.671 22.661 1.00 0.00 H new ATOM 0 HG2 PRO A 574 5.579 -28.180 20.131 1.00 0.00 H new ATOM 0 HG3 PRO A 574 5.632 -28.744 21.789 1.00 0.00 H new ATOM 0 HD2 PRO A 574 3.532 -29.375 20.196 1.00 0.00 H new ATOM 0 HD3 PRO A 574 3.282 -29.059 21.902 1.00 0.00 H new ATOM 398 N GLU A 575 3.988 -26.220 18.446 1.00 0.00 N ATOM 399 CA GLU A 575 4.254 -25.761 17.074 1.00 0.00 C ATOM 400 C GLU A 575 2.936 -25.510 16.324 1.00 0.00 C ATOM 401 O GLU A 575 2.908 -25.550 15.097 1.00 0.00 O ATOM 402 CB GLU A 575 5.110 -26.818 16.336 1.00 0.00 C ATOM 403 CG GLU A 575 6.400 -27.193 17.079 1.00 0.00 C ATOM 404 CD GLU A 575 7.299 -28.146 16.287 1.00 0.00 C ATOM 405 OE1 GLU A 575 7.049 -29.368 16.305 1.00 0.00 O ATOM 406 OE2 GLU A 575 8.263 -27.680 15.643 1.00 0.00 O ATOM 0 H GLU A 575 3.742 -27.209 18.491 1.00 0.00 H new ATOM 0 HA GLU A 575 4.803 -24.820 17.110 1.00 0.00 H new ATOM 0 HB2 GLU A 575 4.512 -27.717 16.187 1.00 0.00 H new ATOM 0 HB3 GLU A 575 5.368 -26.439 15.347 1.00 0.00 H new ATOM 0 HG2 GLU A 575 6.957 -26.284 17.307 1.00 0.00 H new ATOM 0 HG3 GLU A 575 6.141 -27.656 18.031 1.00 0.00 H new ATOM 413 N ARG A 576 1.862 -25.220 17.083 1.00 0.00 N ATOM 414 CA ARG A 576 0.489 -25.042 16.560 1.00 0.00 C ATOM 415 C ARG A 576 0.464 -24.018 15.408 1.00 0.00 C ATOM 416 O ARG A 576 0.094 -24.350 14.281 1.00 0.00 O ATOM 417 CB ARG A 576 -0.443 -24.605 17.734 1.00 0.00 C ATOM 418 CG ARG A 576 -1.976 -24.683 17.485 1.00 0.00 C ATOM 419 CD ARG A 576 -2.614 -23.385 16.955 1.00 0.00 C ATOM 420 NE ARG A 576 -4.082 -23.406 17.064 1.00 0.00 N ATOM 421 CZ ARG A 576 -4.912 -24.116 16.290 1.00 0.00 C ATOM 422 NH1 ARG A 576 -4.465 -24.765 15.218 1.00 0.00 N ATOM 423 NH2 ARG A 576 -6.203 -24.139 16.570 1.00 0.00 N ATOM 0 H ARG A 576 1.923 -25.100 18.094 1.00 0.00 H new ATOM 0 HA ARG A 576 0.129 -25.986 16.150 1.00 0.00 H new ATOM 0 HB2 ARG A 576 -0.209 -25.223 18.601 1.00 0.00 H new ATOM 0 HB3 ARG A 576 -0.195 -23.577 17.999 1.00 0.00 H new ATOM 0 HG2 ARG A 576 -2.173 -25.485 16.773 1.00 0.00 H new ATOM 0 HG3 ARG A 576 -2.467 -24.957 18.418 1.00 0.00 H new ATOM 0 HD2 ARG A 576 -2.221 -22.535 17.512 1.00 0.00 H new ATOM 0 HD3 ARG A 576 -2.330 -23.241 15.912 1.00 0.00 H new ATOM 0 HE ARG A 576 -4.503 -22.830 17.792 1.00 0.00 H new ATOM 0 HH11 ARG A 576 -3.475 -24.726 14.974 1.00 0.00 H new ATOM 0 HH12 ARG A 576 -5.112 -25.301 14.640 1.00 0.00 H new ATOM 0 HH21 ARG A 576 -6.561 -23.618 17.371 1.00 0.00 H new ATOM 0 HH22 ARG A 576 -6.842 -24.677 15.985 1.00 0.00 H new ATOM 437 N TRP A 577 0.916 -22.794 15.710 1.00 0.00 N ATOM 438 CA TRP A 577 0.934 -21.676 14.755 1.00 0.00 C ATOM 439 C TRP A 577 2.092 -21.806 13.741 1.00 0.00 C ATOM 440 O TRP A 577 2.027 -21.241 12.645 1.00 0.00 O ATOM 441 CB TRP A 577 1.007 -20.340 15.533 1.00 0.00 C ATOM 442 CG TRP A 577 -0.163 -20.164 16.473 1.00 0.00 C ATOM 443 CD1 TRP A 577 -0.188 -20.383 17.825 1.00 0.00 C ATOM 444 CD2 TRP A 577 -1.493 -19.785 16.107 1.00 0.00 C ATOM 445 NE1 TRP A 577 -1.444 -20.151 18.315 1.00 0.00 N ATOM 446 CE2 TRP A 577 -2.265 -19.785 17.282 1.00 0.00 C ATOM 447 CE3 TRP A 577 -2.104 -19.439 14.899 1.00 0.00 C ATOM 448 CZ2 TRP A 577 -3.615 -19.468 17.279 1.00 0.00 C ATOM 449 CZ3 TRP A 577 -3.442 -19.119 14.901 1.00 0.00 C ATOM 450 CH2 TRP A 577 -4.182 -19.133 16.084 1.00 0.00 C ATOM 0 H TRP A 577 1.282 -22.549 16.630 1.00 0.00 H new ATOM 0 HA TRP A 577 0.013 -21.698 14.173 1.00 0.00 H new ATOM 0 HB2 TRP A 577 1.937 -20.302 16.101 1.00 0.00 H new ATOM 0 HB3 TRP A 577 1.031 -19.510 14.826 1.00 0.00 H new ATOM 0 HD1 TRP A 577 0.660 -20.693 18.417 1.00 0.00 H new ATOM 0 HE1 TRP A 577 -1.724 -20.237 19.292 1.00 0.00 H new ATOM 0 HE3 TRP A 577 -1.536 -19.423 13.980 1.00 0.00 H new ATOM 0 HZ2 TRP A 577 -4.196 -19.486 18.189 1.00 0.00 H new ATOM 0 HZ3 TRP A 577 -3.927 -18.853 13.973 1.00 0.00 H new ATOM 0 HH2 TRP A 577 -5.230 -18.872 16.053 1.00 0.00 H new ATOM 461 N LYS A 578 3.126 -22.579 14.117 1.00 0.00 N ATOM 462 CA LYS A 578 4.280 -22.891 13.237 1.00 0.00 C ATOM 463 C LYS A 578 3.808 -23.735 12.037 1.00 0.00 C ATOM 464 O LYS A 578 4.268 -23.554 10.914 1.00 0.00 O ATOM 465 CB LYS A 578 5.400 -23.663 14.005 1.00 0.00 C ATOM 466 CG LYS A 578 6.223 -22.837 15.027 1.00 0.00 C ATOM 467 CD LYS A 578 5.390 -22.271 16.205 1.00 0.00 C ATOM 468 CE LYS A 578 6.228 -21.414 17.166 1.00 0.00 C ATOM 469 NZ LYS A 578 6.812 -20.232 16.482 1.00 0.00 N ATOM 0 H LYS A 578 3.191 -23.008 15.040 1.00 0.00 H new ATOM 0 HA LYS A 578 4.697 -21.946 12.889 1.00 0.00 H new ATOM 0 HB2 LYS A 578 4.940 -24.499 14.531 1.00 0.00 H new ATOM 0 HB3 LYS A 578 6.088 -24.086 13.273 1.00 0.00 H new ATOM 0 HG2 LYS A 578 7.018 -23.465 15.428 1.00 0.00 H new ATOM 0 HG3 LYS A 578 6.703 -22.009 14.505 1.00 0.00 H new ATOM 0 HD2 LYS A 578 4.571 -21.671 15.810 1.00 0.00 H new ATOM 0 HD3 LYS A 578 4.942 -23.097 16.758 1.00 0.00 H new ATOM 0 HE2 LYS A 578 5.604 -21.083 17.996 1.00 0.00 H new ATOM 0 HE3 LYS A 578 7.028 -22.020 17.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 578 7.196 -19.575 17.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 578 7.576 -20.541 15.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 578 6.074 -19.752 15.928 1.00 0.00 H new ATOM 483 N LYS A 579 2.873 -24.651 12.310 1.00 0.00 N ATOM 484 CA LYS A 579 2.274 -25.528 11.291 1.00 0.00 C ATOM 485 C LYS A 579 1.202 -24.784 10.487 1.00 0.00 C ATOM 486 O LYS A 579 0.948 -25.110 9.321 1.00 0.00 O ATOM 487 CB LYS A 579 1.693 -26.779 11.977 1.00 0.00 C ATOM 488 CG LYS A 579 2.752 -27.649 12.681 1.00 0.00 C ATOM 489 CD LYS A 579 2.150 -28.890 13.375 1.00 0.00 C ATOM 490 CE LYS A 579 3.220 -29.812 13.989 1.00 0.00 C ATOM 491 NZ LYS A 579 4.183 -30.286 12.965 1.00 0.00 N ATOM 0 H LYS A 579 2.506 -24.808 13.249 1.00 0.00 H new ATOM 0 HA LYS A 579 3.045 -25.838 10.585 1.00 0.00 H new ATOM 0 HB2 LYS A 579 0.947 -26.468 12.708 1.00 0.00 H new ATOM 0 HB3 LYS A 579 1.176 -27.384 11.232 1.00 0.00 H new ATOM 0 HG2 LYS A 579 3.493 -27.972 11.950 1.00 0.00 H new ATOM 0 HG3 LYS A 579 3.277 -27.045 13.421 1.00 0.00 H new ATOM 0 HD2 LYS A 579 1.465 -28.565 14.158 1.00 0.00 H new ATOM 0 HD3 LYS A 579 1.562 -29.455 12.652 1.00 0.00 H new ATOM 0 HE2 LYS A 579 3.756 -29.277 14.773 1.00 0.00 H new ATOM 0 HE3 LYS A 579 2.737 -30.668 14.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 579 4.749 -31.066 13.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 579 3.664 -30.620 12.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 579 4.813 -29.504 12.692 1.00 0.00 H new ATOM 505 N ILE A 580 0.564 -23.789 11.129 1.00 0.00 N ATOM 506 CA ILE A 580 -0.401 -22.885 10.468 1.00 0.00 C ATOM 507 C ILE A 580 0.325 -21.953 9.470 1.00 0.00 C ATOM 508 O ILE A 580 -0.260 -21.533 8.470 1.00 0.00 O ATOM 509 CB ILE A 580 -1.235 -22.066 11.529 1.00 0.00 C ATOM 510 CG1 ILE A 580 -2.100 -23.052 12.380 1.00 0.00 C ATOM 511 CG2 ILE A 580 -2.110 -20.962 10.879 1.00 0.00 C ATOM 512 CD1 ILE A 580 -3.072 -22.413 13.344 1.00 0.00 C ATOM 0 H ILE A 580 0.701 -23.587 12.119 1.00 0.00 H new ATOM 0 HA ILE A 580 -1.108 -23.492 9.903 1.00 0.00 H new ATOM 0 HB ILE A 580 -0.534 -21.545 12.180 1.00 0.00 H new ATOM 0 HG12 ILE A 580 -2.661 -23.693 11.700 1.00 0.00 H new ATOM 0 HG13 ILE A 580 -1.429 -23.698 12.946 1.00 0.00 H new ATOM 0 HG21 ILE A 580 -2.661 -20.431 11.655 1.00 0.00 H new ATOM 0 HG22 ILE A 580 -1.471 -20.260 10.343 1.00 0.00 H new ATOM 0 HG23 ILE A 580 -2.813 -21.418 10.182 1.00 0.00 H new ATOM 0 HD11 ILE A 580 -3.617 -23.190 13.880 1.00 0.00 H new ATOM 0 HD12 ILE A 580 -2.525 -21.796 14.057 1.00 0.00 H new ATOM 0 HD13 ILE A 580 -3.776 -21.791 12.792 1.00 0.00 H new ATOM 524 N ALA A 581 1.612 -21.654 9.754 1.00 0.00 N ATOM 525 CA ALA A 581 2.517 -20.943 8.811 1.00 0.00 C ATOM 526 C ALA A 581 2.615 -21.653 7.445 1.00 0.00 C ATOM 527 O ALA A 581 2.703 -20.997 6.404 1.00 0.00 O ATOM 528 CB ALA A 581 3.924 -20.764 9.416 1.00 0.00 C ATOM 0 H ALA A 581 2.056 -21.896 10.640 1.00 0.00 H new ATOM 0 HA ALA A 581 2.077 -19.960 8.643 1.00 0.00 H new ATOM 0 HB1 ALA A 581 4.563 -20.241 8.704 1.00 0.00 H new ATOM 0 HB2 ALA A 581 3.854 -20.182 10.335 1.00 0.00 H new ATOM 0 HB3 ALA A 581 4.352 -21.742 9.637 1.00 0.00 H new ATOM 534 N GLU A 582 2.603 -22.999 7.476 1.00 0.00 N ATOM 535 CA GLU A 582 2.646 -23.835 6.255 1.00 0.00 C ATOM 536 C GLU A 582 1.357 -23.647 5.434 1.00 0.00 C ATOM 537 O GLU A 582 1.397 -23.563 4.204 1.00 0.00 O ATOM 538 CB GLU A 582 2.830 -25.330 6.638 1.00 0.00 C ATOM 539 CG GLU A 582 4.071 -25.600 7.500 1.00 0.00 C ATOM 540 CD GLU A 582 4.240 -27.085 7.842 1.00 0.00 C ATOM 541 OE1 GLU A 582 4.887 -27.820 7.063 1.00 0.00 O ATOM 542 OE2 GLU A 582 3.703 -27.540 8.871 1.00 0.00 O ATOM 0 H GLU A 582 2.564 -23.538 8.341 1.00 0.00 H new ATOM 0 HA GLU A 582 3.494 -23.523 5.645 1.00 0.00 H new ATOM 0 HB2 GLU A 582 1.945 -25.669 7.176 1.00 0.00 H new ATOM 0 HB3 GLU A 582 2.896 -25.924 5.726 1.00 0.00 H new ATOM 0 HG2 GLU A 582 4.958 -25.249 6.973 1.00 0.00 H new ATOM 0 HG3 GLU A 582 4.000 -25.024 8.423 1.00 0.00 H new ATOM 549 N ALA A 583 0.226 -23.541 6.146 1.00 0.00 N ATOM 550 CA ALA A 583 -1.107 -23.410 5.535 1.00 0.00 C ATOM 551 C ALA A 583 -1.356 -21.978 5.022 1.00 0.00 C ATOM 552 O ALA A 583 -1.930 -21.800 3.954 1.00 0.00 O ATOM 553 CB ALA A 583 -2.194 -23.809 6.555 1.00 0.00 C ATOM 0 H ALA A 583 0.209 -23.544 7.166 1.00 0.00 H new ATOM 0 HA ALA A 583 -1.153 -24.081 4.677 1.00 0.00 H new ATOM 0 HB1 ALA A 583 -3.178 -23.710 6.096 1.00 0.00 H new ATOM 0 HB2 ALA A 583 -2.041 -24.843 6.864 1.00 0.00 H new ATOM 0 HB3 ALA A 583 -2.133 -23.157 7.426 1.00 0.00 H new ATOM 559 N VAL A 584 -0.889 -20.966 5.779 1.00 0.00 N ATOM 560 CA VAL A 584 -1.232 -19.546 5.542 1.00 0.00 C ATOM 561 C VAL A 584 0.034 -18.739 5.162 1.00 0.00 C ATOM 562 O VAL A 584 0.886 -18.494 6.025 1.00 0.00 O ATOM 563 CB VAL A 584 -1.900 -18.888 6.810 1.00 0.00 C ATOM 564 CG1 VAL A 584 -2.377 -17.452 6.497 1.00 0.00 C ATOM 565 CG2 VAL A 584 -3.064 -19.753 7.351 1.00 0.00 C ATOM 0 H VAL A 584 -0.264 -21.108 6.572 1.00 0.00 H new ATOM 0 HA VAL A 584 -1.947 -19.522 4.720 1.00 0.00 H new ATOM 0 HB VAL A 584 -1.142 -18.832 7.592 1.00 0.00 H new ATOM 0 HG11 VAL A 584 -2.834 -17.019 7.386 1.00 0.00 H new ATOM 0 HG12 VAL A 584 -1.525 -16.844 6.194 1.00 0.00 H new ATOM 0 HG13 VAL A 584 -3.109 -17.480 5.690 1.00 0.00 H new ATOM 0 HG21 VAL A 584 -3.501 -19.269 8.225 1.00 0.00 H new ATOM 0 HG22 VAL A 584 -3.825 -19.863 6.578 1.00 0.00 H new ATOM 0 HG23 VAL A 584 -2.687 -20.736 7.631 1.00 0.00 H new ATOM 575 N PRO A 585 0.192 -18.339 3.861 1.00 0.00 N ATOM 576 CA PRO A 585 1.266 -17.419 3.411 1.00 0.00 C ATOM 577 C PRO A 585 0.852 -15.930 3.504 1.00 0.00 C ATOM 578 O PRO A 585 -0.343 -15.604 3.594 1.00 0.00 O ATOM 579 CB PRO A 585 1.457 -17.854 1.943 1.00 0.00 C ATOM 580 CG PRO A 585 0.065 -18.209 1.485 1.00 0.00 C ATOM 581 CD PRO A 585 -0.655 -18.771 2.707 1.00 0.00 C ATOM 0 HA PRO A 585 2.167 -17.481 4.022 1.00 0.00 H new ATOM 0 HB2 PRO A 585 1.883 -17.051 1.341 1.00 0.00 H new ATOM 0 HB3 PRO A 585 2.133 -18.705 1.863 1.00 0.00 H new ATOM 0 HG2 PRO A 585 -0.453 -17.332 1.097 1.00 0.00 H new ATOM 0 HG3 PRO A 585 0.096 -18.943 0.680 1.00 0.00 H new ATOM 0 HD2 PRO A 585 -1.669 -18.378 2.788 1.00 0.00 H new ATOM 0 HD3 PRO A 585 -0.737 -19.857 2.657 1.00 0.00 H new ATOM 589 N GLY A 586 1.856 -15.029 3.503 1.00 0.00 N ATOM 590 CA GLY A 586 1.639 -13.574 3.434 1.00 0.00 C ATOM 591 C GLY A 586 1.310 -12.930 4.781 1.00 0.00 C ATOM 592 O GLY A 586 1.739 -11.799 5.059 1.00 0.00 O ATOM 0 H GLY A 586 2.840 -15.293 3.550 1.00 0.00 H new ATOM 0 HA2 GLY A 586 2.533 -13.103 3.026 1.00 0.00 H new ATOM 0 HA3 GLY A 586 0.826 -13.371 2.737 1.00 0.00 H new ATOM 596 N ARG A 587 0.530 -13.636 5.614 1.00 0.00 N ATOM 597 CA ARG A 587 0.186 -13.194 6.969 1.00 0.00 C ATOM 598 C ARG A 587 1.015 -13.956 8.002 1.00 0.00 C ATOM 599 O ARG A 587 1.152 -15.190 7.926 1.00 0.00 O ATOM 600 CB ARG A 587 -1.328 -13.384 7.241 1.00 0.00 C ATOM 601 CG ARG A 587 -2.270 -12.404 6.488 1.00 0.00 C ATOM 602 CD ARG A 587 -2.030 -10.915 6.850 1.00 0.00 C ATOM 603 NE ARG A 587 -0.924 -10.312 6.082 1.00 0.00 N ATOM 604 CZ ARG A 587 -0.272 -9.193 6.408 1.00 0.00 C ATOM 605 NH1 ARG A 587 -0.488 -8.576 7.556 1.00 0.00 N ATOM 606 NH2 ARG A 587 0.658 -8.721 5.616 1.00 0.00 N ATOM 0 H ARG A 587 0.119 -14.535 5.362 1.00 0.00 H new ATOM 0 HA ARG A 587 0.416 -12.132 7.053 1.00 0.00 H new ATOM 0 HB2 ARG A 587 -1.603 -14.404 6.972 1.00 0.00 H new ATOM 0 HB3 ARG A 587 -1.503 -13.279 8.312 1.00 0.00 H new ATOM 0 HG2 ARG A 587 -2.135 -12.535 5.414 1.00 0.00 H new ATOM 0 HG3 ARG A 587 -3.305 -12.662 6.713 1.00 0.00 H new ATOM 0 HD2 ARG A 587 -2.944 -10.349 6.668 1.00 0.00 H new ATOM 0 HD3 ARG A 587 -1.813 -10.835 7.915 1.00 0.00 H new ATOM 0 HE ARG A 587 -0.633 -10.790 5.230 1.00 0.00 H new ATOM 0 HH11 ARG A 587 -1.166 -8.953 8.218 1.00 0.00 H new ATOM 0 HH12 ARG A 587 0.024 -7.723 7.780 1.00 0.00 H new ATOM 0 HH21 ARG A 587 0.885 -9.208 4.749 1.00 0.00 H new ATOM 0 HH22 ARG A 587 1.155 -7.866 5.866 1.00 0.00 H new ATOM 620 N THR A 588 1.552 -13.211 8.970 1.00 0.00 N ATOM 621 CA THR A 588 2.377 -13.778 10.044 1.00 0.00 C ATOM 622 C THR A 588 1.501 -14.341 11.171 1.00 0.00 C ATOM 623 O THR A 588 0.273 -14.202 11.160 1.00 0.00 O ATOM 624 CB THR A 588 3.415 -12.738 10.604 1.00 0.00 C ATOM 625 OG1 THR A 588 2.740 -11.560 11.037 1.00 0.00 O ATOM 626 CG2 THR A 588 4.490 -12.357 9.564 1.00 0.00 C ATOM 0 H THR A 588 1.429 -12.200 9.034 1.00 0.00 H new ATOM 0 HA THR A 588 2.947 -14.599 9.611 1.00 0.00 H new ATOM 0 HB THR A 588 3.921 -13.215 11.444 1.00 0.00 H new ATOM 0 HG1 THR A 588 1.802 -11.599 10.757 1.00 0.00 H new ATOM 0 HG21 THR A 588 5.181 -11.637 10.002 1.00 0.00 H new ATOM 0 HG22 THR A 588 5.039 -13.250 9.264 1.00 0.00 H new ATOM 0 HG23 THR A 588 4.011 -11.915 8.690 1.00 0.00 H new ATOM 634 N LYS A 589 2.154 -15.020 12.113 1.00 0.00 N ATOM 635 CA LYS A 589 1.477 -15.746 13.197 1.00 0.00 C ATOM 636 C LYS A 589 0.858 -14.791 14.220 1.00 0.00 C ATOM 637 O LYS A 589 -0.091 -15.174 14.900 1.00 0.00 O ATOM 638 CB LYS A 589 2.448 -16.758 13.861 1.00 0.00 C ATOM 639 CG LYS A 589 2.671 -18.101 13.087 1.00 0.00 C ATOM 640 CD LYS A 589 2.961 -17.952 11.558 1.00 0.00 C ATOM 641 CE LYS A 589 1.686 -17.979 10.658 1.00 0.00 C ATOM 642 NZ LYS A 589 1.975 -17.610 9.254 1.00 0.00 N ATOM 0 H LYS A 589 3.171 -15.085 12.150 1.00 0.00 H new ATOM 0 HA LYS A 589 0.652 -16.310 12.762 1.00 0.00 H new ATOM 0 HB2 LYS A 589 3.415 -16.272 13.992 1.00 0.00 H new ATOM 0 HB3 LYS A 589 2.072 -16.993 14.857 1.00 0.00 H new ATOM 0 HG2 LYS A 589 3.504 -18.632 13.548 1.00 0.00 H new ATOM 0 HG3 LYS A 589 1.786 -18.725 13.213 1.00 0.00 H new ATOM 0 HD2 LYS A 589 3.491 -17.014 11.390 1.00 0.00 H new ATOM 0 HD3 LYS A 589 3.629 -18.755 11.247 1.00 0.00 H new ATOM 0 HE2 LYS A 589 1.247 -18.976 10.685 1.00 0.00 H new ATOM 0 HE3 LYS A 589 0.943 -17.293 11.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 589 1.365 -18.162 8.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 589 1.791 -16.596 9.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 589 2.972 -17.813 9.040 1.00 0.00 H new ATOM 656 N LYS A 590 1.380 -13.543 14.301 1.00 0.00 N ATOM 657 CA LYS A 590 0.763 -12.486 15.119 1.00 0.00 C ATOM 658 C LYS A 590 -0.596 -12.101 14.501 1.00 0.00 C ATOM 659 O LYS A 590 -1.549 -11.833 15.223 1.00 0.00 O ATOM 660 CB LYS A 590 1.669 -11.228 15.249 1.00 0.00 C ATOM 661 CG LYS A 590 1.771 -10.358 13.971 1.00 0.00 C ATOM 662 CD LYS A 590 2.627 -9.099 14.162 1.00 0.00 C ATOM 663 CE LYS A 590 2.568 -8.166 12.941 1.00 0.00 C ATOM 664 NZ LYS A 590 2.903 -8.868 11.674 1.00 0.00 N ATOM 0 H LYS A 590 2.224 -13.250 13.809 1.00 0.00 H new ATOM 0 HA LYS A 590 0.624 -12.879 16.126 1.00 0.00 H new ATOM 0 HB2 LYS A 590 1.290 -10.609 16.062 1.00 0.00 H new ATOM 0 HB3 LYS A 590 2.671 -11.549 15.533 1.00 0.00 H new ATOM 0 HG2 LYS A 590 2.193 -10.957 13.164 1.00 0.00 H new ATOM 0 HG3 LYS A 590 0.769 -10.064 13.659 1.00 0.00 H new ATOM 0 HD2 LYS A 590 2.285 -8.560 15.046 1.00 0.00 H new ATOM 0 HD3 LYS A 590 3.661 -9.389 14.346 1.00 0.00 H new ATOM 0 HE2 LYS A 590 1.569 -7.738 12.863 1.00 0.00 H new ATOM 0 HE3 LYS A 590 3.260 -7.336 13.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 590 2.190 -8.640 10.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 590 3.840 -8.561 11.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 590 2.913 -9.895 11.838 1.00 0.00 H new ATOM 678 N ASP A 591 -0.653 -12.086 13.142 1.00 0.00 N ATOM 679 CA ASP A 591 -1.887 -11.814 12.371 1.00 0.00 C ATOM 680 C ASP A 591 -2.865 -12.983 12.510 1.00 0.00 C ATOM 681 O ASP A 591 -4.079 -12.777 12.517 1.00 0.00 O ATOM 682 CB ASP A 591 -1.585 -11.586 10.857 1.00 0.00 C ATOM 683 CG ASP A 591 -0.893 -10.250 10.571 1.00 0.00 C ATOM 684 OD1 ASP A 591 0.333 -10.145 10.777 1.00 0.00 O ATOM 685 OD2 ASP A 591 -1.577 -9.292 10.143 1.00 0.00 O ATOM 0 H ASP A 591 0.161 -12.263 12.553 1.00 0.00 H new ATOM 0 HA ASP A 591 -2.328 -10.904 12.778 1.00 0.00 H new ATOM 0 HB2 ASP A 591 -0.956 -12.398 10.493 1.00 0.00 H new ATOM 0 HB3 ASP A 591 -2.519 -11.631 10.297 1.00 0.00 H new ATOM 690 N CYS A 592 -2.312 -14.214 12.574 1.00 0.00 N ATOM 691 CA CYS A 592 -3.096 -15.459 12.688 1.00 0.00 C ATOM 692 C CYS A 592 -3.746 -15.570 14.078 1.00 0.00 C ATOM 693 O CYS A 592 -4.889 -15.996 14.192 1.00 0.00 O ATOM 694 CB CYS A 592 -2.201 -16.686 12.381 1.00 0.00 C ATOM 695 SG CYS A 592 -1.471 -16.651 10.729 1.00 0.00 S ATOM 0 H CYS A 592 -1.304 -14.370 12.548 1.00 0.00 H new ATOM 0 HA CYS A 592 -3.900 -15.435 11.952 1.00 0.00 H new ATOM 0 HB2 CYS A 592 -1.403 -16.737 13.121 1.00 0.00 H new ATOM 0 HB3 CYS A 592 -2.794 -17.594 12.488 1.00 0.00 H new ATOM 0 HG CYS A 592 -0.696 -15.613 10.619 1.00 0.00 H new ATOM 701 N MET A 593 -3.003 -15.157 15.122 1.00 0.00 N ATOM 702 CA MET A 593 -3.495 -15.125 16.520 1.00 0.00 C ATOM 703 C MET A 593 -4.467 -13.948 16.733 1.00 0.00 C ATOM 704 O MET A 593 -5.434 -14.060 17.493 1.00 0.00 O ATOM 705 CB MET A 593 -2.293 -15.035 17.509 1.00 0.00 C ATOM 706 CG MET A 593 -1.544 -16.359 17.713 1.00 0.00 C ATOM 707 SD MET A 593 -0.163 -16.254 18.876 1.00 0.00 S ATOM 708 CE MET A 593 1.073 -15.399 17.901 1.00 0.00 C ATOM 0 H MET A 593 -2.040 -14.834 15.023 1.00 0.00 H new ATOM 0 HA MET A 593 -4.040 -16.048 16.717 1.00 0.00 H new ATOM 0 HB2 MET A 593 -1.591 -14.286 17.142 1.00 0.00 H new ATOM 0 HB3 MET A 593 -2.657 -14.684 18.475 1.00 0.00 H new ATOM 0 HG2 MET A 593 -2.248 -17.111 18.068 1.00 0.00 H new ATOM 0 HG3 MET A 593 -1.168 -16.704 16.750 1.00 0.00 H new ATOM 0 HE1 MET A 593 2.033 -15.438 18.415 1.00 0.00 H new ATOM 0 HE2 MET A 593 1.163 -15.879 16.926 1.00 0.00 H new ATOM 0 HE3 MET A 593 0.775 -14.359 17.767 1.00 0.00 H new ATOM 718 N LYS A 594 -4.173 -12.823 16.061 1.00 0.00 N ATOM 719 CA LYS A 594 -5.030 -11.618 16.046 1.00 0.00 C ATOM 720 C LYS A 594 -6.407 -11.959 15.460 1.00 0.00 C ATOM 721 O LYS A 594 -7.441 -11.693 16.076 1.00 0.00 O ATOM 722 CB LYS A 594 -4.361 -10.503 15.197 1.00 0.00 C ATOM 723 CG LYS A 594 -5.169 -9.190 15.061 1.00 0.00 C ATOM 724 CD LYS A 594 -4.514 -8.193 14.078 1.00 0.00 C ATOM 725 CE LYS A 594 -5.315 -6.884 13.926 1.00 0.00 C ATOM 726 NZ LYS A 594 -6.681 -7.116 13.380 1.00 0.00 N ATOM 0 H LYS A 594 -3.324 -12.720 15.505 1.00 0.00 H new ATOM 0 HA LYS A 594 -5.156 -11.263 17.069 1.00 0.00 H new ATOM 0 HB2 LYS A 594 -3.392 -10.268 15.637 1.00 0.00 H new ATOM 0 HB3 LYS A 594 -4.171 -10.896 14.198 1.00 0.00 H new ATOM 0 HG2 LYS A 594 -6.178 -9.421 14.720 1.00 0.00 H new ATOM 0 HG3 LYS A 594 -5.263 -8.721 16.041 1.00 0.00 H new ATOM 0 HD2 LYS A 594 -3.507 -7.959 14.424 1.00 0.00 H new ATOM 0 HD3 LYS A 594 -4.414 -8.667 13.101 1.00 0.00 H new ATOM 0 HE2 LYS A 594 -5.393 -6.394 14.896 1.00 0.00 H new ATOM 0 HE3 LYS A 594 -4.774 -6.204 13.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 594 -6.779 -6.625 12.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 594 -6.831 -8.136 13.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 594 -7.389 -6.750 14.048 1.00 0.00 H new ATOM 740 N ARG A 595 -6.380 -12.599 14.279 1.00 0.00 N ATOM 741 CA ARG A 595 -7.590 -12.924 13.511 1.00 0.00 C ATOM 742 C ARG A 595 -8.357 -14.079 14.168 1.00 0.00 C ATOM 743 O ARG A 595 -9.581 -14.093 14.138 1.00 0.00 O ATOM 744 CB ARG A 595 -7.247 -13.265 12.042 1.00 0.00 C ATOM 745 CG ARG A 595 -8.483 -13.449 11.134 1.00 0.00 C ATOM 746 CD ARG A 595 -9.360 -12.187 11.048 1.00 0.00 C ATOM 747 NE ARG A 595 -10.522 -12.385 10.170 1.00 0.00 N ATOM 748 CZ ARG A 595 -11.486 -11.488 9.933 1.00 0.00 C ATOM 749 NH1 ARG A 595 -11.507 -10.309 10.555 1.00 0.00 N ATOM 750 NH2 ARG A 595 -12.447 -11.787 9.080 1.00 0.00 N ATOM 0 H ARG A 595 -5.516 -12.905 13.831 1.00 0.00 H new ATOM 0 HA ARG A 595 -8.230 -12.042 13.510 1.00 0.00 H new ATOM 0 HB2 ARG A 595 -6.623 -12.471 11.632 1.00 0.00 H new ATOM 0 HB3 ARG A 595 -6.654 -14.180 12.021 1.00 0.00 H new ATOM 0 HG2 ARG A 595 -8.153 -13.724 10.132 1.00 0.00 H new ATOM 0 HG3 ARG A 595 -9.084 -14.277 11.511 1.00 0.00 H new ATOM 0 HD2 ARG A 595 -9.702 -11.914 12.046 1.00 0.00 H new ATOM 0 HD3 ARG A 595 -8.762 -11.354 10.677 1.00 0.00 H new ATOM 0 HE ARG A 595 -10.600 -13.287 9.699 1.00 0.00 H new ATOM 0 HH11 ARG A 595 -10.778 -10.075 11.228 1.00 0.00 H new ATOM 0 HH12 ARG A 595 -12.252 -9.641 10.358 1.00 0.00 H new ATOM 0 HH21 ARG A 595 -12.449 -12.693 8.611 1.00 0.00 H new ATOM 0 HH22 ARG A 595 -13.188 -11.113 8.890 1.00 0.00 H new ATOM 764 N TYR A 596 -7.621 -15.041 14.754 1.00 0.00 N ATOM 765 CA TYR A 596 -8.221 -16.152 15.523 1.00 0.00 C ATOM 766 C TYR A 596 -9.016 -15.602 16.708 1.00 0.00 C ATOM 767 O TYR A 596 -10.126 -16.060 16.977 1.00 0.00 O ATOM 768 CB TYR A 596 -7.137 -17.133 16.018 1.00 0.00 C ATOM 769 CG TYR A 596 -7.642 -18.266 16.931 1.00 0.00 C ATOM 770 CD1 TYR A 596 -8.558 -19.214 16.465 1.00 0.00 C ATOM 771 CD2 TYR A 596 -7.210 -18.384 18.255 1.00 0.00 C ATOM 772 CE1 TYR A 596 -9.009 -20.238 17.277 1.00 0.00 C ATOM 773 CE2 TYR A 596 -7.656 -19.406 19.072 1.00 0.00 C ATOM 774 CZ TYR A 596 -8.560 -20.326 18.580 1.00 0.00 C ATOM 775 OH TYR A 596 -9.010 -21.349 19.390 1.00 0.00 O ATOM 0 H TYR A 596 -6.602 -15.073 14.710 1.00 0.00 H new ATOM 0 HA TYR A 596 -8.896 -16.697 14.863 1.00 0.00 H new ATOM 0 HB2 TYR A 596 -6.649 -17.578 15.151 1.00 0.00 H new ATOM 0 HB3 TYR A 596 -6.376 -16.567 16.556 1.00 0.00 H new ATOM 0 HD1 TYR A 596 -8.921 -19.145 15.450 1.00 0.00 H new ATOM 0 HD2 TYR A 596 -6.512 -17.660 18.649 1.00 0.00 H new ATOM 0 HE1 TYR A 596 -9.709 -20.966 16.894 1.00 0.00 H new ATOM 0 HE2 TYR A 596 -7.300 -19.484 20.088 1.00 0.00 H new ATOM 0 HH TYR A 596 -8.599 -21.270 20.276 1.00 0.00 H new ATOM 785 N LYS A 597 -8.434 -14.592 17.393 1.00 0.00 N ATOM 786 CA LYS A 597 -9.119 -13.880 18.481 1.00 0.00 C ATOM 787 C LYS A 597 -10.417 -13.252 17.945 1.00 0.00 C ATOM 788 O LYS A 597 -11.467 -13.441 18.535 1.00 0.00 O ATOM 789 CB LYS A 597 -8.224 -12.777 19.111 1.00 0.00 C ATOM 790 CG LYS A 597 -8.946 -11.947 20.197 1.00 0.00 C ATOM 791 CD LYS A 597 -8.076 -10.836 20.808 1.00 0.00 C ATOM 792 CE LYS A 597 -8.853 -10.001 21.845 1.00 0.00 C ATOM 793 NZ LYS A 597 -9.440 -10.843 22.919 1.00 0.00 N ATOM 0 H LYS A 597 -7.489 -14.255 17.206 1.00 0.00 H new ATOM 0 HA LYS A 597 -9.346 -14.605 19.263 1.00 0.00 H new ATOM 0 HB2 LYS A 597 -7.340 -13.242 19.547 1.00 0.00 H new ATOM 0 HB3 LYS A 597 -7.876 -12.108 18.324 1.00 0.00 H new ATOM 0 HG2 LYS A 597 -9.840 -11.499 19.764 1.00 0.00 H new ATOM 0 HG3 LYS A 597 -9.277 -12.615 20.992 1.00 0.00 H new ATOM 0 HD2 LYS A 597 -7.201 -11.280 21.282 1.00 0.00 H new ATOM 0 HD3 LYS A 597 -7.712 -10.183 20.015 1.00 0.00 H new ATOM 0 HE2 LYS A 597 -8.185 -9.263 22.289 1.00 0.00 H new ATOM 0 HE3 LYS A 597 -9.648 -9.450 21.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 597 -9.634 -10.255 23.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 597 -10.327 -11.268 22.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 597 -8.770 -11.596 23.175 1.00 0.00 H new ATOM 807 N GLU A 598 -10.312 -12.547 16.789 1.00 0.00 N ATOM 808 CA GLU A 598 -11.458 -11.885 16.108 1.00 0.00 C ATOM 809 C GLU A 598 -12.597 -12.886 15.814 1.00 0.00 C ATOM 810 O GLU A 598 -13.776 -12.549 15.960 1.00 0.00 O ATOM 811 CB GLU A 598 -10.981 -11.211 14.789 1.00 0.00 C ATOM 812 CG GLU A 598 -10.012 -10.038 15.000 1.00 0.00 C ATOM 813 CD GLU A 598 -9.404 -9.516 13.690 1.00 0.00 C ATOM 814 OE1 GLU A 598 -10.157 -9.033 12.814 1.00 0.00 O ATOM 815 OE2 GLU A 598 -8.171 -9.598 13.510 1.00 0.00 O ATOM 0 H GLU A 598 -9.426 -12.421 16.300 1.00 0.00 H new ATOM 0 HA GLU A 598 -11.850 -11.122 16.780 1.00 0.00 H new ATOM 0 HB2 GLU A 598 -10.496 -11.961 14.165 1.00 0.00 H new ATOM 0 HB3 GLU A 598 -11.852 -10.854 14.240 1.00 0.00 H new ATOM 0 HG2 GLU A 598 -10.539 -9.224 15.499 1.00 0.00 H new ATOM 0 HG3 GLU A 598 -9.209 -10.353 15.666 1.00 0.00 H new ATOM 822 N LEU A 599 -12.214 -14.131 15.432 1.00 0.00 N ATOM 823 CA LEU A 599 -13.178 -15.225 15.161 1.00 0.00 C ATOM 824 C LEU A 599 -13.897 -15.620 16.469 1.00 0.00 C ATOM 825 O LEU A 599 -15.124 -15.755 16.499 1.00 0.00 O ATOM 826 CB LEU A 599 -12.474 -16.467 14.530 1.00 0.00 C ATOM 827 CG LEU A 599 -11.685 -16.219 13.200 1.00 0.00 C ATOM 828 CD1 LEU A 599 -11.031 -17.518 12.683 1.00 0.00 C ATOM 829 CD2 LEU A 599 -12.569 -15.556 12.117 1.00 0.00 C ATOM 0 H LEU A 599 -11.239 -14.402 15.305 1.00 0.00 H new ATOM 0 HA LEU A 599 -13.911 -14.863 14.440 1.00 0.00 H new ATOM 0 HB2 LEU A 599 -11.783 -16.878 15.266 1.00 0.00 H new ATOM 0 HB3 LEU A 599 -13.230 -17.229 14.342 1.00 0.00 H new ATOM 0 HG LEU A 599 -10.884 -15.516 13.428 1.00 0.00 H new ATOM 0 HD11 LEU A 599 -10.491 -17.311 11.759 1.00 0.00 H new ATOM 0 HD12 LEU A 599 -10.336 -17.898 13.432 1.00 0.00 H new ATOM 0 HD13 LEU A 599 -11.803 -18.263 12.493 1.00 0.00 H new ATOM 0 HD21 LEU A 599 -11.982 -15.402 11.212 1.00 0.00 H new ATOM 0 HD22 LEU A 599 -13.417 -16.203 11.894 1.00 0.00 H new ATOM 0 HD23 LEU A 599 -12.932 -14.595 12.482 1.00 0.00 H new ATOM 841 N VAL A 600 -13.103 -15.743 17.557 1.00 0.00 N ATOM 842 CA VAL A 600 -13.606 -16.118 18.896 1.00 0.00 C ATOM 843 C VAL A 600 -14.471 -14.980 19.499 1.00 0.00 C ATOM 844 O VAL A 600 -15.441 -15.248 20.211 1.00 0.00 O ATOM 845 CB VAL A 600 -12.430 -16.504 19.880 1.00 0.00 C ATOM 846 CG1 VAL A 600 -12.960 -16.897 21.286 1.00 0.00 C ATOM 847 CG2 VAL A 600 -11.556 -17.646 19.293 1.00 0.00 C ATOM 0 H VAL A 600 -12.096 -15.585 17.530 1.00 0.00 H new ATOM 0 HA VAL A 600 -14.232 -17.002 18.771 1.00 0.00 H new ATOM 0 HB VAL A 600 -11.807 -15.617 19.993 1.00 0.00 H new ATOM 0 HG11 VAL A 600 -12.121 -17.155 21.932 1.00 0.00 H new ATOM 0 HG12 VAL A 600 -13.505 -16.057 21.717 1.00 0.00 H new ATOM 0 HG13 VAL A 600 -13.627 -17.755 21.197 1.00 0.00 H new ATOM 0 HG21 VAL A 600 -10.756 -17.889 19.993 1.00 0.00 H new ATOM 0 HG22 VAL A 600 -12.174 -18.529 19.128 1.00 0.00 H new ATOM 0 HG23 VAL A 600 -11.124 -17.323 18.346 1.00 0.00 H new ATOM 857 N GLU A 601 -14.137 -13.716 19.161 1.00 0.00 N ATOM 858 CA GLU A 601 -14.869 -12.532 19.654 1.00 0.00 C ATOM 859 C GLU A 601 -16.271 -12.462 19.018 1.00 0.00 C ATOM 860 O GLU A 601 -17.225 -12.043 19.674 1.00 0.00 O ATOM 861 CB GLU A 601 -14.101 -11.202 19.382 1.00 0.00 C ATOM 862 CG GLU A 601 -12.732 -11.053 20.085 1.00 0.00 C ATOM 863 CD GLU A 601 -12.773 -11.287 21.605 1.00 0.00 C ATOM 864 OE1 GLU A 601 -13.542 -10.592 22.306 1.00 0.00 O ATOM 865 OE2 GLU A 601 -12.037 -12.164 22.113 1.00 0.00 O ATOM 0 H GLU A 601 -13.358 -13.490 18.543 1.00 0.00 H new ATOM 0 HA GLU A 601 -14.961 -12.645 20.734 1.00 0.00 H new ATOM 0 HB2 GLU A 601 -13.947 -11.108 18.307 1.00 0.00 H new ATOM 0 HB3 GLU A 601 -14.736 -10.370 19.687 1.00 0.00 H new ATOM 0 HG2 GLU A 601 -12.029 -11.757 19.639 1.00 0.00 H new ATOM 0 HG3 GLU A 601 -12.345 -10.052 19.893 1.00 0.00 H new ATOM 872 N MET A 602 -16.378 -12.881 17.744 1.00 0.00 N ATOM 873 CA MET A 602 -17.657 -12.878 17.003 1.00 0.00 C ATOM 874 C MET A 602 -18.587 -14.011 17.483 1.00 0.00 C ATOM 875 O MET A 602 -19.802 -13.800 17.613 1.00 0.00 O ATOM 876 CB MET A 602 -17.410 -12.989 15.475 1.00 0.00 C ATOM 877 CG MET A 602 -16.670 -11.791 14.855 1.00 0.00 C ATOM 878 SD MET A 602 -16.531 -11.891 13.049 1.00 0.00 S ATOM 879 CE MET A 602 -15.647 -13.435 12.818 1.00 0.00 C ATOM 0 H MET A 602 -15.588 -13.229 17.201 1.00 0.00 H new ATOM 0 HA MET A 602 -18.152 -11.928 17.205 1.00 0.00 H new ATOM 0 HB2 MET A 602 -16.836 -13.895 15.278 1.00 0.00 H new ATOM 0 HB3 MET A 602 -18.370 -13.105 14.973 1.00 0.00 H new ATOM 0 HG2 MET A 602 -17.192 -10.872 15.122 1.00 0.00 H new ATOM 0 HG3 MET A 602 -15.671 -11.727 15.286 1.00 0.00 H new ATOM 0 HE1 MET A 602 -15.544 -13.640 11.752 1.00 0.00 H new ATOM 0 HE2 MET A 602 -14.658 -13.359 13.270 1.00 0.00 H new ATOM 0 HE3 MET A 602 -16.201 -14.246 13.291 1.00 0.00 H new ATOM 889 N VAL A 603 -18.016 -15.208 17.755 1.00 0.00 N ATOM 890 CA VAL A 603 -18.816 -16.370 18.197 1.00 0.00 C ATOM 891 C VAL A 603 -19.286 -16.186 19.653 1.00 0.00 C ATOM 892 O VAL A 603 -20.396 -16.597 19.985 1.00 0.00 O ATOM 893 CB VAL A 603 -18.073 -17.759 18.030 1.00 0.00 C ATOM 894 CG1 VAL A 603 -17.664 -17.995 16.551 1.00 0.00 C ATOM 895 CG2 VAL A 603 -16.857 -17.897 18.983 1.00 0.00 C ATOM 0 H VAL A 603 -17.016 -15.392 17.677 1.00 0.00 H new ATOM 0 HA VAL A 603 -19.681 -16.405 17.534 1.00 0.00 H new ATOM 0 HB VAL A 603 -18.781 -18.537 18.315 1.00 0.00 H new ATOM 0 HG11 VAL A 603 -17.156 -18.955 16.463 1.00 0.00 H new ATOM 0 HG12 VAL A 603 -18.555 -17.997 15.923 1.00 0.00 H new ATOM 0 HG13 VAL A 603 -16.994 -17.199 16.227 1.00 0.00 H new ATOM 0 HG21 VAL A 603 -16.382 -18.866 18.829 1.00 0.00 H new ATOM 0 HG22 VAL A 603 -16.139 -17.104 18.774 1.00 0.00 H new ATOM 0 HG23 VAL A 603 -17.194 -17.818 20.017 1.00 0.00 H new ATOM 905 N LYS A 604 -18.454 -15.544 20.510 1.00 0.00 N ATOM 906 CA LYS A 604 -18.825 -15.286 21.920 1.00 0.00 C ATOM 907 C LYS A 604 -19.863 -14.151 21.993 1.00 0.00 C ATOM 908 O LYS A 604 -20.695 -14.134 22.899 1.00 0.00 O ATOM 909 CB LYS A 604 -17.588 -14.947 22.802 1.00 0.00 C ATOM 910 CG LYS A 604 -16.975 -13.542 22.588 1.00 0.00 C ATOM 911 CD LYS A 604 -15.783 -13.243 23.520 1.00 0.00 C ATOM 912 CE LYS A 604 -14.603 -14.214 23.321 1.00 0.00 C ATOM 913 NZ LYS A 604 -13.415 -13.817 24.106 1.00 0.00 N ATOM 0 H LYS A 604 -17.530 -15.199 20.251 1.00 0.00 H new ATOM 0 HA LYS A 604 -19.261 -16.203 22.317 1.00 0.00 H new ATOM 0 HB2 LYS A 604 -17.875 -15.042 23.849 1.00 0.00 H new ATOM 0 HB3 LYS A 604 -16.816 -15.693 22.614 1.00 0.00 H new ATOM 0 HG2 LYS A 604 -16.648 -13.451 21.552 1.00 0.00 H new ATOM 0 HG3 LYS A 604 -17.747 -12.789 22.746 1.00 0.00 H new ATOM 0 HD2 LYS A 604 -15.440 -12.223 23.346 1.00 0.00 H new ATOM 0 HD3 LYS A 604 -16.118 -13.294 24.556 1.00 0.00 H new ATOM 0 HE2 LYS A 604 -14.909 -15.219 23.611 1.00 0.00 H new ATOM 0 HE3 LYS A 604 -14.341 -14.253 22.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 604 -12.889 -14.667 24.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 604 -12.802 -13.211 23.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 604 -13.717 -13.294 24.952 1.00 0.00 H new ATOM 927 N ALA A 605 -19.789 -13.210 21.021 1.00 0.00 N ATOM 928 CA ALA A 605 -20.756 -12.109 20.893 1.00 0.00 C ATOM 929 C ALA A 605 -22.143 -12.672 20.550 1.00 0.00 C ATOM 930 O ALA A 605 -23.148 -12.291 21.169 1.00 0.00 O ATOM 931 CB ALA A 605 -20.301 -11.107 19.825 1.00 0.00 C ATOM 0 H ALA A 605 -19.058 -13.198 20.310 1.00 0.00 H new ATOM 0 HA ALA A 605 -20.814 -11.581 21.845 1.00 0.00 H new ATOM 0 HB1 ALA A 605 -21.031 -10.301 19.747 1.00 0.00 H new ATOM 0 HB2 ALA A 605 -19.332 -10.693 20.104 1.00 0.00 H new ATOM 0 HB3 ALA A 605 -20.216 -11.613 18.864 1.00 0.00 H new ATOM 937 N LYS A 606 -22.164 -13.606 19.569 1.00 0.00 N ATOM 938 CA LYS A 606 -23.379 -14.351 19.195 1.00 0.00 C ATOM 939 C LYS A 606 -23.958 -15.076 20.416 1.00 0.00 C ATOM 940 O LYS A 606 -25.107 -14.850 20.774 1.00 0.00 O ATOM 941 CB LYS A 606 -23.092 -15.370 18.052 1.00 0.00 C ATOM 942 CG LYS A 606 -24.179 -16.469 17.869 1.00 0.00 C ATOM 943 CD LYS A 606 -23.982 -17.330 16.600 1.00 0.00 C ATOM 944 CE LYS A 606 -24.389 -16.591 15.312 1.00 0.00 C ATOM 945 NZ LYS A 606 -25.833 -16.210 15.331 1.00 0.00 N ATOM 0 H LYS A 606 -21.342 -13.859 19.021 1.00 0.00 H new ATOM 0 HA LYS A 606 -24.111 -13.631 18.828 1.00 0.00 H new ATOM 0 HB2 LYS A 606 -22.987 -14.823 17.115 1.00 0.00 H new ATOM 0 HB3 LYS A 606 -22.135 -15.854 18.248 1.00 0.00 H new ATOM 0 HG2 LYS A 606 -24.176 -17.120 18.743 1.00 0.00 H new ATOM 0 HG3 LYS A 606 -25.160 -15.995 17.827 1.00 0.00 H new ATOM 0 HD2 LYS A 606 -22.936 -17.629 16.527 1.00 0.00 H new ATOM 0 HD3 LYS A 606 -24.569 -18.244 16.691 1.00 0.00 H new ATOM 0 HE2 LYS A 606 -23.777 -15.696 15.196 1.00 0.00 H new ATOM 0 HE3 LYS A 606 -24.191 -17.226 14.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 606 -26.318 -16.646 14.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 606 -26.268 -16.543 16.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 606 -25.920 -15.175 15.271 1.00 0.00 H new ATOM 959 N LYS A 607 -23.125 -15.918 21.058 1.00 0.00 N ATOM 960 CA LYS A 607 -23.572 -16.787 22.159 1.00 0.00 C ATOM 961 C LYS A 607 -24.113 -15.972 23.340 1.00 0.00 C ATOM 962 O LYS A 607 -25.145 -16.312 23.865 1.00 0.00 O ATOM 963 CB LYS A 607 -22.450 -17.742 22.640 1.00 0.00 C ATOM 964 CG LYS A 607 -22.032 -18.811 21.602 1.00 0.00 C ATOM 965 CD LYS A 607 -21.184 -19.943 22.225 1.00 0.00 C ATOM 966 CE LYS A 607 -21.990 -20.784 23.239 1.00 0.00 C ATOM 967 NZ LYS A 607 -21.154 -21.807 23.919 1.00 0.00 N ATOM 0 H LYS A 607 -22.135 -16.013 20.830 1.00 0.00 H new ATOM 0 HA LYS A 607 -24.383 -17.395 21.759 1.00 0.00 H new ATOM 0 HB2 LYS A 607 -21.575 -17.150 22.906 1.00 0.00 H new ATOM 0 HB3 LYS A 607 -22.782 -18.245 23.548 1.00 0.00 H new ATOM 0 HG2 LYS A 607 -22.925 -19.239 21.147 1.00 0.00 H new ATOM 0 HG3 LYS A 607 -21.464 -18.334 20.803 1.00 0.00 H new ATOM 0 HD2 LYS A 607 -20.809 -20.592 21.433 1.00 0.00 H new ATOM 0 HD3 LYS A 607 -20.315 -19.512 22.722 1.00 0.00 H new ATOM 0 HE2 LYS A 607 -22.430 -20.123 23.986 1.00 0.00 H new ATOM 0 HE3 LYS A 607 -22.815 -21.277 22.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 607 -21.740 -22.345 24.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 607 -20.754 -22.455 23.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 607 -20.382 -21.338 24.434 1.00 0.00 H new ATOM 981 N ALA A 608 -23.426 -14.871 23.704 1.00 0.00 N ATOM 982 CA ALA A 608 -23.820 -14.008 24.848 1.00 0.00 C ATOM 983 C ALA A 608 -25.259 -13.484 24.670 1.00 0.00 C ATOM 984 O ALA A 608 -26.160 -13.792 25.468 1.00 0.00 O ATOM 985 CB ALA A 608 -22.823 -12.837 24.990 1.00 0.00 C ATOM 0 H ALA A 608 -22.587 -14.552 23.220 1.00 0.00 H new ATOM 0 HA ALA A 608 -23.794 -14.603 25.761 1.00 0.00 H new ATOM 0 HB1 ALA A 608 -23.118 -12.208 25.830 1.00 0.00 H new ATOM 0 HB2 ALA A 608 -21.822 -13.231 25.165 1.00 0.00 H new ATOM 0 HB3 ALA A 608 -22.825 -12.244 24.075 1.00 0.00 H new ATOM 991 N ALA A 609 -25.463 -12.770 23.554 1.00 0.00 N ATOM 992 CA ALA A 609 -26.741 -12.109 23.237 1.00 0.00 C ATOM 993 C ALA A 609 -27.862 -13.141 23.012 1.00 0.00 C ATOM 994 O ALA A 609 -28.937 -13.052 23.613 1.00 0.00 O ATOM 995 CB ALA A 609 -26.572 -11.216 21.996 1.00 0.00 C ATOM 0 H ALA A 609 -24.745 -12.633 22.842 1.00 0.00 H new ATOM 0 HA ALA A 609 -27.028 -11.489 24.086 1.00 0.00 H new ATOM 0 HB1 ALA A 609 -27.520 -10.730 21.766 1.00 0.00 H new ATOM 0 HB2 ALA A 609 -25.814 -10.458 22.194 1.00 0.00 H new ATOM 0 HB3 ALA A 609 -26.262 -11.827 21.148 1.00 0.00 H new ATOM 1001 N GLN A 610 -27.560 -14.143 22.171 1.00 0.00 N ATOM 1002 CA GLN A 610 -28.540 -15.147 21.703 1.00 0.00 C ATOM 1003 C GLN A 610 -28.932 -16.118 22.832 1.00 0.00 C ATOM 1004 O GLN A 610 -30.030 -16.667 22.809 1.00 0.00 O ATOM 1005 CB GLN A 610 -27.969 -15.911 20.470 1.00 0.00 C ATOM 1006 CG GLN A 610 -28.973 -16.808 19.718 1.00 0.00 C ATOM 1007 CD GLN A 610 -28.421 -17.385 18.409 1.00 0.00 C ATOM 1008 OE1 GLN A 610 -27.584 -16.772 17.742 1.00 0.00 O ATOM 1009 NE2 GLN A 610 -28.891 -18.564 18.032 1.00 0.00 N ATOM 0 H GLN A 610 -26.624 -14.284 21.792 1.00 0.00 H new ATOM 0 HA GLN A 610 -29.449 -14.628 21.399 1.00 0.00 H new ATOM 0 HB2 GLN A 610 -27.565 -15.181 19.768 1.00 0.00 H new ATOM 0 HB3 GLN A 610 -27.135 -16.529 20.803 1.00 0.00 H new ATOM 0 HG2 GLN A 610 -29.272 -17.629 20.369 1.00 0.00 H new ATOM 0 HG3 GLN A 610 -29.871 -16.230 19.500 1.00 0.00 H new ATOM 0 HE21 GLN A 610 -29.583 -19.045 18.607 1.00 0.00 H new ATOM 0 HE22 GLN A 610 -28.561 -18.992 17.167 1.00 0.00 H new ATOM 1018 N GLU A 611 -28.037 -16.308 23.828 1.00 0.00 N ATOM 1019 CA GLU A 611 -28.305 -17.198 24.986 1.00 0.00 C ATOM 1020 C GLU A 611 -29.255 -16.513 25.982 1.00 0.00 C ATOM 1021 O GLU A 611 -30.010 -17.189 26.680 1.00 0.00 O ATOM 1022 CB GLU A 611 -26.996 -17.629 25.729 1.00 0.00 C ATOM 1023 CG GLU A 611 -26.983 -19.088 26.209 1.00 0.00 C ATOM 1024 CD GLU A 611 -26.881 -20.090 25.045 1.00 0.00 C ATOM 1025 OE1 GLU A 611 -25.748 -20.411 24.612 1.00 0.00 O ATOM 1026 OE2 GLU A 611 -27.925 -20.542 24.536 1.00 0.00 O ATOM 0 H GLU A 611 -27.122 -15.858 23.855 1.00 0.00 H new ATOM 0 HA GLU A 611 -28.771 -18.098 24.585 1.00 0.00 H new ATOM 0 HB2 GLU A 611 -26.148 -17.472 25.063 1.00 0.00 H new ATOM 0 HB3 GLU A 611 -26.851 -16.976 26.590 1.00 0.00 H new ATOM 0 HG2 GLU A 611 -26.143 -19.237 26.887 1.00 0.00 H new ATOM 0 HG3 GLU A 611 -27.891 -19.288 26.778 1.00 0.00 H new ATOM 1033 N GLN A 612 -29.161 -15.173 26.070 1.00 0.00 N ATOM 1034 CA GLN A 612 -30.098 -14.357 26.877 1.00 0.00 C ATOM 1035 C GLN A 612 -31.503 -14.342 26.233 1.00 0.00 C ATOM 1036 O GLN A 612 -32.520 -14.391 26.933 1.00 0.00 O ATOM 1037 CB GLN A 612 -29.544 -12.921 27.033 1.00 0.00 C ATOM 1038 CG GLN A 612 -28.168 -12.864 27.725 1.00 0.00 C ATOM 1039 CD GLN A 612 -27.537 -11.474 27.728 1.00 0.00 C ATOM 1040 OE1 GLN A 612 -28.229 -10.457 27.798 1.00 0.00 O ATOM 1041 NE2 GLN A 612 -26.219 -11.413 27.631 1.00 0.00 N ATOM 0 H GLN A 612 -28.444 -14.628 25.592 1.00 0.00 H new ATOM 0 HA GLN A 612 -30.192 -14.803 27.867 1.00 0.00 H new ATOM 0 HB2 GLN A 612 -29.465 -12.461 26.048 1.00 0.00 H new ATOM 0 HB3 GLN A 612 -30.255 -12.326 27.606 1.00 0.00 H new ATOM 0 HG2 GLN A 612 -28.275 -13.206 28.754 1.00 0.00 H new ATOM 0 HG3 GLN A 612 -27.492 -13.559 27.226 1.00 0.00 H new ATOM 0 HE21 GLN A 612 -25.671 -12.272 27.575 1.00 0.00 H new ATOM 0 HE22 GLN A 612 -25.750 -10.507 27.613 1.00 0.00 H new ATOM 1050 N VAL A 613 -31.531 -14.296 24.887 1.00 0.00 N ATOM 1051 CA VAL A 613 -32.779 -14.395 24.089 1.00 0.00 C ATOM 1052 C VAL A 613 -33.356 -15.834 24.183 1.00 0.00 C ATOM 1053 O VAL A 613 -34.578 -16.033 24.204 1.00 0.00 O ATOM 1054 CB VAL A 613 -32.528 -13.991 22.584 1.00 0.00 C ATOM 1055 CG1 VAL A 613 -33.829 -14.100 21.735 1.00 0.00 C ATOM 1056 CG2 VAL A 613 -31.916 -12.564 22.493 1.00 0.00 C ATOM 0 H VAL A 613 -30.691 -14.189 24.318 1.00 0.00 H new ATOM 0 HA VAL A 613 -33.507 -13.696 24.501 1.00 0.00 H new ATOM 0 HB VAL A 613 -31.810 -14.697 22.166 1.00 0.00 H new ATOM 0 HG11 VAL A 613 -33.616 -13.814 20.705 1.00 0.00 H new ATOM 0 HG12 VAL A 613 -34.194 -15.127 21.758 1.00 0.00 H new ATOM 0 HG13 VAL A 613 -34.589 -13.436 22.147 1.00 0.00 H new ATOM 0 HG21 VAL A 613 -31.751 -12.305 21.447 1.00 0.00 H new ATOM 0 HG22 VAL A 613 -32.602 -11.845 22.941 1.00 0.00 H new ATOM 0 HG23 VAL A 613 -30.966 -12.541 23.027 1.00 0.00 H new ATOM 1066 N LEU A 614 -32.447 -16.821 24.289 1.00 0.00 N ATOM 1067 CA LEU A 614 -32.797 -18.249 24.445 1.00 0.00 C ATOM 1068 C LEU A 614 -33.390 -18.465 25.853 1.00 0.00 C ATOM 1069 O LEU A 614 -34.339 -19.231 26.017 1.00 0.00 O ATOM 1070 CB LEU A 614 -31.523 -19.135 24.195 1.00 0.00 C ATOM 1071 CG LEU A 614 -31.705 -20.677 23.960 1.00 0.00 C ATOM 1072 CD1 LEU A 614 -31.986 -21.451 25.263 1.00 0.00 C ATOM 1073 CD2 LEU A 614 -32.778 -20.946 22.887 1.00 0.00 C ATOM 0 H LEU A 614 -31.441 -16.651 24.269 1.00 0.00 H new ATOM 0 HA LEU A 614 -33.547 -18.546 23.712 1.00 0.00 H new ATOM 0 HB2 LEU A 614 -31.004 -18.728 23.327 1.00 0.00 H new ATOM 0 HB3 LEU A 614 -30.860 -19.008 25.051 1.00 0.00 H new ATOM 0 HG LEU A 614 -30.754 -21.058 23.587 1.00 0.00 H new ATOM 0 HD11 LEU A 614 -32.103 -22.511 25.038 1.00 0.00 H new ATOM 0 HD12 LEU A 614 -31.153 -21.316 25.953 1.00 0.00 H new ATOM 0 HD13 LEU A 614 -32.901 -21.074 25.720 1.00 0.00 H new ATOM 0 HD21 LEU A 614 -32.886 -22.021 22.742 1.00 0.00 H new ATOM 0 HD22 LEU A 614 -33.730 -20.526 23.211 1.00 0.00 H new ATOM 0 HD23 LEU A 614 -32.478 -20.481 21.948 1.00 0.00 H new ATOM 1085 N ASN A 615 -32.824 -17.751 26.852 1.00 0.00 N ATOM 1086 CA ASN A 615 -33.307 -17.760 28.253 1.00 0.00 C ATOM 1087 C ASN A 615 -34.761 -17.253 28.316 1.00 0.00 C ATOM 1088 O ASN A 615 -35.583 -17.789 29.061 1.00 0.00 O ATOM 1089 CB ASN A 615 -32.393 -16.866 29.145 1.00 0.00 C ATOM 1090 CG ASN A 615 -32.772 -16.857 30.633 1.00 0.00 C ATOM 1091 OD1 ASN A 615 -33.179 -17.875 31.191 1.00 0.00 O ATOM 1092 ND2 ASN A 615 -32.658 -15.705 31.281 1.00 0.00 N ATOM 0 H ASN A 615 -32.014 -17.148 26.709 1.00 0.00 H new ATOM 0 HA ASN A 615 -33.272 -18.783 28.627 1.00 0.00 H new ATOM 0 HB2 ASN A 615 -31.363 -17.209 29.047 1.00 0.00 H new ATOM 0 HB3 ASN A 615 -32.426 -15.844 28.768 1.00 0.00 H new ATOM 0 HD21 ASN A 615 -32.911 -15.648 32.268 1.00 0.00 H new ATOM 0 HD22 ASN A 615 -32.318 -14.877 30.793 1.00 0.00 H new ATOM 1099 N ALA A 616 -35.043 -16.219 27.501 1.00 0.00 N ATOM 1100 CA ALA A 616 -36.390 -15.636 27.364 1.00 0.00 C ATOM 1101 C ALA A 616 -37.367 -16.657 26.742 1.00 0.00 C ATOM 1102 O ALA A 616 -38.534 -16.729 27.134 1.00 0.00 O ATOM 1103 CB ALA A 616 -36.327 -14.359 26.509 1.00 0.00 C ATOM 0 H ALA A 616 -34.341 -15.764 26.918 1.00 0.00 H new ATOM 0 HA ALA A 616 -36.759 -15.376 28.356 1.00 0.00 H new ATOM 0 HB1 ALA A 616 -37.327 -13.935 26.413 1.00 0.00 H new ATOM 0 HB2 ALA A 616 -35.670 -13.633 26.987 1.00 0.00 H new ATOM 0 HB3 ALA A 616 -35.940 -14.602 25.520 1.00 0.00 H new ATOM 1109 N SER A 617 -36.863 -17.448 25.783 1.00 0.00 N ATOM 1110 CA SER A 617 -37.655 -18.488 25.092 1.00 0.00 C ATOM 1111 C SER A 617 -37.886 -19.716 26.011 1.00 0.00 C ATOM 1112 O SER A 617 -38.856 -20.461 25.828 1.00 0.00 O ATOM 1113 CB SER A 617 -36.944 -18.907 23.778 1.00 0.00 C ATOM 1114 OG SER A 617 -37.743 -19.780 22.993 1.00 0.00 O ATOM 0 H SER A 617 -35.897 -17.388 25.462 1.00 0.00 H new ATOM 0 HA SER A 617 -38.632 -18.073 24.846 1.00 0.00 H new ATOM 0 HB2 SER A 617 -36.703 -18.017 23.197 1.00 0.00 H new ATOM 0 HB3 SER A 617 -36.000 -19.397 24.017 1.00 0.00 H new ATOM 0 HG SER A 617 -37.260 -20.018 22.174 1.00 0.00 H new ATOM 1120 N ARG A 618 -36.984 -19.923 26.995 1.00 0.00 N ATOM 1121 CA ARG A 618 -37.131 -20.978 28.024 1.00 0.00 C ATOM 1122 C ARG A 618 -37.959 -20.455 29.215 1.00 0.00 C ATOM 1123 O ARG A 618 -38.433 -21.244 30.039 1.00 0.00 O ATOM 1124 CB ARG A 618 -35.740 -21.458 28.528 1.00 0.00 C ATOM 1125 CG ARG A 618 -34.819 -22.099 27.463 1.00 0.00 C ATOM 1126 CD ARG A 618 -35.451 -23.304 26.751 1.00 0.00 C ATOM 1127 NE ARG A 618 -34.487 -24.030 25.904 1.00 0.00 N ATOM 1128 CZ ARG A 618 -34.801 -24.931 24.974 1.00 0.00 C ATOM 1129 NH1 ARG A 618 -36.059 -25.178 24.645 1.00 0.00 N ATOM 1130 NH2 ARG A 618 -33.843 -25.570 24.348 1.00 0.00 N ATOM 0 H ARG A 618 -36.136 -19.366 27.099 1.00 0.00 H new ATOM 0 HA ARG A 618 -37.649 -21.821 27.568 1.00 0.00 H new ATOM 0 HB2 ARG A 618 -35.220 -20.606 28.965 1.00 0.00 H new ATOM 0 HB3 ARG A 618 -35.895 -22.181 29.329 1.00 0.00 H new ATOM 0 HG2 ARG A 618 -34.556 -21.345 26.721 1.00 0.00 H new ATOM 0 HG3 ARG A 618 -33.891 -22.414 27.939 1.00 0.00 H new ATOM 0 HD2 ARG A 618 -35.862 -23.987 27.495 1.00 0.00 H new ATOM 0 HD3 ARG A 618 -36.284 -22.963 26.137 1.00 0.00 H new ATOM 0 HE ARG A 618 -33.497 -23.825 26.041 1.00 0.00 H new ATOM 0 HH11 ARG A 618 -36.815 -24.673 25.107 1.00 0.00 H new ATOM 0 HH12 ARG A 618 -36.272 -25.873 23.929 1.00 0.00 H new ATOM 0 HH21 ARG A 618 -32.868 -25.376 24.574 1.00 0.00 H new ATOM 0 HH22 ARG A 618 -34.073 -26.262 23.634 1.00 0.00 H new ATOM 1144 N ALA A 619 -38.103 -19.123 29.313 1.00 0.00 N ATOM 1145 CA ALA A 619 -38.899 -18.477 30.361 1.00 0.00 C ATOM 1146 C ALA A 619 -40.396 -18.716 30.102 1.00 0.00 C ATOM 1147 O ALA A 619 -41.006 -18.040 29.265 1.00 0.00 O ATOM 1148 CB ALA A 619 -38.567 -16.975 30.435 1.00 0.00 C ATOM 0 H ALA A 619 -37.669 -18.466 28.665 1.00 0.00 H new ATOM 0 HA ALA A 619 -38.650 -18.916 31.327 1.00 0.00 H new ATOM 0 HB1 ALA A 619 -39.165 -16.508 31.217 1.00 0.00 H new ATOM 0 HB2 ALA A 619 -37.509 -16.847 30.663 1.00 0.00 H new ATOM 0 HB3 ALA A 619 -38.792 -16.505 29.477 1.00 0.00 H new ATOM 1154 N LYS A 620 -40.953 -19.720 30.797 1.00 0.00 N ATOM 1155 CA LYS A 620 -42.374 -20.115 30.702 1.00 0.00 C ATOM 1156 C LYS A 620 -43.296 -19.011 31.267 1.00 0.00 C ATOM 1157 O LYS A 620 -42.893 -18.260 32.165 1.00 0.00 O ATOM 1158 CB LYS A 620 -42.569 -21.460 31.473 1.00 0.00 C ATOM 1159 CG LYS A 620 -44.006 -22.041 31.500 1.00 0.00 C ATOM 1160 CD LYS A 620 -44.553 -22.429 30.102 1.00 0.00 C ATOM 1161 CE LYS A 620 -43.708 -23.492 29.374 1.00 0.00 C ATOM 1162 NZ LYS A 620 -43.572 -24.746 30.165 1.00 0.00 N ATOM 0 H LYS A 620 -40.422 -20.293 31.453 1.00 0.00 H new ATOM 0 HA LYS A 620 -42.646 -20.252 29.655 1.00 0.00 H new ATOM 0 HB2 LYS A 620 -41.908 -22.205 31.031 1.00 0.00 H new ATOM 0 HB3 LYS A 620 -42.241 -21.314 32.502 1.00 0.00 H new ATOM 0 HG2 LYS A 620 -44.019 -22.922 32.142 1.00 0.00 H new ATOM 0 HG3 LYS A 620 -44.675 -21.308 31.951 1.00 0.00 H new ATOM 0 HD2 LYS A 620 -45.572 -22.801 30.212 1.00 0.00 H new ATOM 0 HD3 LYS A 620 -44.606 -21.534 29.482 1.00 0.00 H new ATOM 0 HE2 LYS A 620 -44.166 -23.720 28.412 1.00 0.00 H new ATOM 0 HE3 LYS A 620 -42.718 -23.086 29.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 620 -43.039 -25.448 29.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 620 -43.066 -24.545 31.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 620 -44.516 -25.122 30.384 1.00 0.00 H new ATOM 1176 N LYS A 621 -44.517 -18.902 30.720 1.00 0.00 N ATOM 1177 CA LYS A 621 -45.550 -17.989 31.235 1.00 0.00 C ATOM 1178 C LYS A 621 -46.038 -18.502 32.619 1.00 0.00 C ATOM 1179 CB LYS A 621 -46.731 -17.884 30.224 1.00 0.00 C ATOM 1180 CG LYS A 621 -46.349 -17.339 28.828 1.00 0.00 C ATOM 1181 CD LYS A 621 -45.827 -15.878 28.851 1.00 0.00 C ATOM 1182 CE LYS A 621 -46.855 -14.877 29.413 1.00 0.00 C ATOM 1183 NZ LYS A 621 -46.421 -13.470 29.235 1.00 0.00 N ATOM 0 H LYS A 621 -44.816 -19.444 29.909 1.00 0.00 H new ATOM 0 HA LYS A 621 -45.131 -16.990 31.358 1.00 0.00 H new ATOM 0 HB2 LYS A 621 -47.175 -18.872 30.103 1.00 0.00 H new ATOM 0 HB3 LYS A 621 -47.499 -17.240 30.651 1.00 0.00 H new ATOM 0 HG2 LYS A 621 -45.584 -17.982 28.393 1.00 0.00 H new ATOM 0 HG3 LYS A 621 -47.220 -17.394 28.175 1.00 0.00 H new ATOM 0 HD2 LYS A 621 -44.919 -15.833 29.452 1.00 0.00 H new ATOM 0 HD3 LYS A 621 -45.555 -15.580 27.839 1.00 0.00 H new ATOM 0 HE2 LYS A 621 -47.814 -15.026 28.916 1.00 0.00 H new ATOM 0 HE3 LYS A 621 -47.011 -15.076 30.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 621 -47.142 -12.832 29.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 621 -45.519 -13.320 29.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 621 -46.297 -13.271 28.222 1.00 0.00 H new TER 1197 LYS A 621