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 Set 1.1: A 564 GLN :FLIP amide:sc= -0.232 F(o=0.12,f=1) USER MOD Set 1.2: A 568 THR OG1 : rot 73:sc= 1.24 USER MOD Single : A 552 THR OG1 : rot 180:sc= 0.00903 USER MOD Single : A 555 THR OG1 : rot 103:sc= 0.186 USER MOD Single : A 556 THR OG1 : rot 180:sc= 0 USER MOD Single : A 559 GLN : amide:sc= -0.739 K(o=-0.74,f=-6.6!) USER MOD Single : A 560 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 567 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 569 TYR OH : rot 180:sc= 0 USER MOD Single : A 572 ASN : amide:sc=-0.00453 K(o=-0.0045,f=-1.5!) USER MOD Single : A 573 THR OG1 : rot -160:sc= -0.0661 USER MOD Single : A 578 LYS NZ :NH3+ -179:sc= 0.409 (180deg=0.409) USER MOD Single : A 579 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 588 THR OG1 : rot -150:sc= 0 USER MOD Single : A 589 LYS NZ :NH3+ 152:sc= -1.06! (180deg=-2.61!) USER MOD Single : A 590 LYS NZ :NH3+ 151:sc= 0.913 (180deg=0.308) USER MOD Single : A 592 CYS SG : rot 61:sc= -1.12 USER MOD Single : A 593 MET CE :methyl 150:sc= 0 (180deg=-0.285) USER MOD Single : A 594 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 596 TYR OH : rot 180:sc= 0 USER MOD Single : A 597 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 602 MET CE :methyl -177:sc= -0.481 (180deg=-0.537) USER MOD Single : A 604 LYS NZ :NH3+ 168:sc= 0.572 (180deg=0.493) USER MOD Single : A 606 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 607 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0101) USER MOD Single : A 610 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 612 GLN :FLIP amide:sc= -0.541 F(o=-1.1,f=-0.54) USER MOD Single : A 615 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 617 SER OG : rot 180:sc= 0 USER MOD Single : A 620 LYS NZ :NH3+ -168:sc= -0.0377 (180deg=-0.221) USER MOD Single : A 621 LYS NZ :NH3+ -107:sc= -0.581 (180deg=-2.66!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 551 -1.950 -2.141 5.090 1.00 0.00 N ATOM 2 CA PHE A 551 -2.376 -3.504 5.488 1.00 0.00 C ATOM 3 C PHE A 551 -3.790 -3.793 4.949 1.00 0.00 C ATOM 4 O PHE A 551 -4.767 -3.211 5.419 1.00 0.00 O ATOM 5 CB PHE A 551 -2.340 -3.665 7.040 1.00 0.00 C ATOM 6 CG PHE A 551 -2.743 -5.063 7.547 1.00 0.00 C ATOM 7 CD1 PHE A 551 -1.804 -6.094 7.646 1.00 0.00 C ATOM 8 CD2 PHE A 551 -4.069 -5.361 7.905 1.00 0.00 C ATOM 9 CE1 PHE A 551 -2.172 -7.359 8.085 1.00 0.00 C ATOM 10 CE2 PHE A 551 -4.433 -6.626 8.338 1.00 0.00 C ATOM 11 CZ PHE A 551 -3.483 -7.626 8.427 1.00 0.00 C ATOM 0 HA PHE A 551 -1.680 -4.224 5.057 1.00 0.00 H new ATOM 0 HB2 PHE A 551 -1.333 -3.441 7.393 1.00 0.00 H new ATOM 0 HB3 PHE A 551 -3.006 -2.925 7.485 1.00 0.00 H new ATOM 0 HD1 PHE A 551 -0.776 -5.904 7.377 1.00 0.00 H new ATOM 0 HD2 PHE A 551 -4.820 -4.588 7.841 1.00 0.00 H new ATOM 0 HE1 PHE A 551 -1.428 -8.139 8.159 1.00 0.00 H new ATOM 0 HE2 PHE A 551 -5.459 -6.831 8.606 1.00 0.00 H new ATOM 0 HZ PHE A 551 -3.765 -8.613 8.763 1.00 0.00 H new ATOM 21 N THR A 552 -3.886 -4.686 3.959 1.00 0.00 N ATOM 22 CA THR A 552 -5.170 -5.222 3.480 1.00 0.00 C ATOM 23 C THR A 552 -5.611 -6.395 4.397 1.00 0.00 C ATOM 24 O THR A 552 -4.763 -7.211 4.797 1.00 0.00 O ATOM 25 CB THR A 552 -5.046 -5.696 1.994 1.00 0.00 C ATOM 26 OG1 THR A 552 -3.895 -6.540 1.850 1.00 0.00 O ATOM 27 CG2 THR A 552 -4.935 -4.505 1.023 1.00 0.00 C ATOM 0 H THR A 552 -3.076 -5.060 3.465 1.00 0.00 H new ATOM 0 HA THR A 552 -5.925 -4.437 3.518 1.00 0.00 H new ATOM 0 HB THR A 552 -5.951 -6.251 1.745 1.00 0.00 H new ATOM 0 HG1 THR A 552 -3.821 -6.836 0.919 1.00 0.00 H new ATOM 0 HG21 THR A 552 -4.851 -4.875 0.001 1.00 0.00 H new ATOM 0 HG22 THR A 552 -5.824 -3.880 1.110 1.00 0.00 H new ATOM 0 HG23 THR A 552 -4.052 -3.916 1.269 1.00 0.00 H new ATOM 35 N PRO A 553 -6.936 -6.499 4.759 1.00 0.00 N ATOM 36 CA PRO A 553 -7.424 -7.528 5.714 1.00 0.00 C ATOM 37 C PRO A 553 -7.450 -8.951 5.110 1.00 0.00 C ATOM 38 O PRO A 553 -7.193 -9.153 3.912 1.00 0.00 O ATOM 39 CB PRO A 553 -8.851 -7.031 6.064 1.00 0.00 C ATOM 40 CG PRO A 553 -9.300 -6.319 4.824 1.00 0.00 C ATOM 41 CD PRO A 553 -8.058 -5.646 4.266 1.00 0.00 C ATOM 0 HA PRO A 553 -6.771 -7.627 6.581 1.00 0.00 H new ATOM 0 HB2 PRO A 553 -9.514 -7.861 6.310 1.00 0.00 H new ATOM 0 HB3 PRO A 553 -8.841 -6.364 6.926 1.00 0.00 H new ATOM 0 HG2 PRO A 553 -9.725 -7.018 4.103 1.00 0.00 H new ATOM 0 HG3 PRO A 553 -10.074 -5.586 5.052 1.00 0.00 H new ATOM 0 HD2 PRO A 553 -8.081 -5.605 3.177 1.00 0.00 H new ATOM 0 HD3 PRO A 553 -7.966 -4.620 4.621 1.00 0.00 H new ATOM 49 N TRP A 554 -7.764 -9.923 5.974 1.00 0.00 N ATOM 50 CA TRP A 554 -7.855 -11.340 5.609 1.00 0.00 C ATOM 51 C TRP A 554 -9.123 -11.586 4.768 1.00 0.00 C ATOM 52 O TRP A 554 -10.245 -11.442 5.268 1.00 0.00 O ATOM 53 CB TRP A 554 -7.881 -12.211 6.883 1.00 0.00 C ATOM 54 CG TRP A 554 -6.591 -12.239 7.670 1.00 0.00 C ATOM 55 CD1 TRP A 554 -5.963 -11.196 8.301 1.00 0.00 C ATOM 56 CD2 TRP A 554 -5.805 -13.398 7.942 1.00 0.00 C ATOM 57 NE1 TRP A 554 -4.837 -11.647 8.943 1.00 0.00 N ATOM 58 CE2 TRP A 554 -4.716 -12.995 8.731 1.00 0.00 C ATOM 59 CE3 TRP A 554 -5.927 -14.740 7.588 1.00 0.00 C ATOM 60 CZ2 TRP A 554 -3.754 -13.889 9.172 1.00 0.00 C ATOM 61 CZ3 TRP A 554 -4.969 -15.629 8.020 1.00 0.00 C ATOM 62 CH2 TRP A 554 -3.899 -15.204 8.811 1.00 0.00 C ATOM 0 H TRP A 554 -7.964 -9.745 6.958 1.00 0.00 H new ATOM 0 HA TRP A 554 -6.982 -11.612 5.015 1.00 0.00 H new ATOM 0 HB2 TRP A 554 -8.677 -11.850 7.534 1.00 0.00 H new ATOM 0 HB3 TRP A 554 -8.138 -13.232 6.601 1.00 0.00 H new ATOM 0 HD1 TRP A 554 -6.304 -10.171 8.294 1.00 0.00 H new ATOM 0 HE1 TRP A 554 -4.195 -11.072 9.489 1.00 0.00 H new ATOM 0 HE3 TRP A 554 -6.758 -15.077 6.986 1.00 0.00 H new ATOM 0 HZ2 TRP A 554 -2.921 -13.563 9.777 1.00 0.00 H new ATOM 0 HZ3 TRP A 554 -5.046 -16.670 7.743 1.00 0.00 H new ATOM 0 HH2 TRP A 554 -3.170 -15.927 9.146 1.00 0.00 H new ATOM 73 N THR A 555 -8.914 -11.922 3.490 1.00 0.00 N ATOM 74 CA THR A 555 -9.991 -12.256 2.535 1.00 0.00 C ATOM 75 C THR A 555 -10.297 -13.773 2.582 1.00 0.00 C ATOM 76 O THR A 555 -9.589 -14.501 3.265 1.00 0.00 O ATOM 77 CB THR A 555 -9.579 -11.797 1.101 1.00 0.00 C ATOM 78 OG1 THR A 555 -8.273 -12.311 0.787 1.00 0.00 O ATOM 79 CG2 THR A 555 -9.567 -10.265 0.963 1.00 0.00 C ATOM 0 H THR A 555 -7.982 -11.972 3.079 1.00 0.00 H new ATOM 0 HA THR A 555 -10.903 -11.728 2.813 1.00 0.00 H new ATOM 0 HB THR A 555 -10.321 -12.189 0.406 1.00 0.00 H new ATOM 0 HG1 THR A 555 -8.360 -13.083 0.189 1.00 0.00 H new ATOM 0 HG21 THR A 555 -9.275 -9.993 -0.051 1.00 0.00 H new ATOM 0 HG22 THR A 555 -10.563 -9.873 1.171 1.00 0.00 H new ATOM 0 HG23 THR A 555 -8.855 -9.841 1.672 1.00 0.00 H new ATOM 87 N THR A 556 -11.338 -14.230 1.847 1.00 0.00 N ATOM 88 CA THR A 556 -11.877 -15.612 1.953 1.00 0.00 C ATOM 89 C THR A 556 -10.784 -16.709 1.817 1.00 0.00 C ATOM 90 O THR A 556 -10.732 -17.641 2.627 1.00 0.00 O ATOM 91 CB THR A 556 -12.987 -15.848 0.878 1.00 0.00 C ATOM 92 OG1 THR A 556 -13.986 -14.814 0.974 1.00 0.00 O ATOM 93 CG2 THR A 556 -13.665 -17.235 1.016 1.00 0.00 C ATOM 0 H THR A 556 -11.829 -13.654 1.164 1.00 0.00 H new ATOM 0 HA THR A 556 -12.298 -15.698 2.955 1.00 0.00 H new ATOM 0 HB THR A 556 -12.501 -15.818 -0.097 1.00 0.00 H new ATOM 0 HG1 THR A 556 -14.679 -14.965 0.297 1.00 0.00 H new ATOM 0 HG21 THR A 556 -14.427 -17.346 0.245 1.00 0.00 H new ATOM 0 HG22 THR A 556 -12.916 -18.019 0.901 1.00 0.00 H new ATOM 0 HG23 THR A 556 -14.129 -17.317 1.999 1.00 0.00 H new ATOM 101 N GLU A 557 -9.915 -16.560 0.800 1.00 0.00 N ATOM 102 CA GLU A 557 -8.806 -17.503 0.523 1.00 0.00 C ATOM 103 C GLU A 557 -7.761 -17.516 1.664 1.00 0.00 C ATOM 104 O GLU A 557 -7.163 -18.552 1.940 1.00 0.00 O ATOM 105 CB GLU A 557 -8.124 -17.199 -0.849 1.00 0.00 C ATOM 106 CG GLU A 557 -7.572 -15.754 -1.036 1.00 0.00 C ATOM 107 CD GLU A 557 -8.548 -14.785 -1.742 1.00 0.00 C ATOM 108 OE1 GLU A 557 -9.513 -14.319 -1.104 1.00 0.00 O ATOM 109 OE2 GLU A 557 -8.355 -14.479 -2.936 1.00 0.00 O ATOM 0 H GLU A 557 -9.959 -15.781 0.143 1.00 0.00 H new ATOM 0 HA GLU A 557 -9.246 -18.499 0.467 1.00 0.00 H new ATOM 0 HB2 GLU A 557 -7.301 -17.901 -0.986 1.00 0.00 H new ATOM 0 HB3 GLU A 557 -8.846 -17.396 -1.642 1.00 0.00 H new ATOM 0 HG2 GLU A 557 -7.318 -15.346 -0.058 1.00 0.00 H new ATOM 0 HG3 GLU A 557 -6.648 -15.803 -1.611 1.00 0.00 H new ATOM 116 N GLU A 558 -7.563 -16.362 2.325 1.00 0.00 N ATOM 117 CA GLU A 558 -6.601 -16.232 3.444 1.00 0.00 C ATOM 118 C GLU A 558 -7.199 -16.806 4.742 1.00 0.00 C ATOM 119 O GLU A 558 -6.498 -17.434 5.545 1.00 0.00 O ATOM 120 CB GLU A 558 -6.223 -14.741 3.643 1.00 0.00 C ATOM 121 CG GLU A 558 -5.733 -14.038 2.363 1.00 0.00 C ATOM 122 CD GLU A 558 -4.475 -14.678 1.741 1.00 0.00 C ATOM 123 OE1 GLU A 558 -3.351 -14.315 2.154 1.00 0.00 O ATOM 124 OE2 GLU A 558 -4.604 -15.535 0.834 1.00 0.00 O ATOM 0 H GLU A 558 -8.058 -15.498 2.105 1.00 0.00 H new ATOM 0 HA GLU A 558 -5.703 -16.799 3.200 1.00 0.00 H new ATOM 0 HB2 GLU A 558 -7.091 -14.206 4.028 1.00 0.00 H new ATOM 0 HB3 GLU A 558 -5.444 -14.673 4.402 1.00 0.00 H new ATOM 0 HG2 GLU A 558 -6.536 -14.047 1.626 1.00 0.00 H new ATOM 0 HG3 GLU A 558 -5.522 -12.993 2.592 1.00 0.00 H new ATOM 131 N GLN A 559 -8.512 -16.579 4.906 1.00 0.00 N ATOM 132 CA GLN A 559 -9.281 -16.975 6.095 1.00 0.00 C ATOM 133 C GLN A 559 -9.363 -18.496 6.208 1.00 0.00 C ATOM 134 O GLN A 559 -9.040 -19.051 7.250 1.00 0.00 O ATOM 135 CB GLN A 559 -10.716 -16.381 6.032 1.00 0.00 C ATOM 136 CG GLN A 559 -10.818 -14.853 6.231 1.00 0.00 C ATOM 137 CD GLN A 559 -10.856 -14.370 7.693 1.00 0.00 C ATOM 138 OE1 GLN A 559 -11.494 -13.371 7.988 1.00 0.00 O ATOM 139 NE2 GLN A 559 -10.179 -15.058 8.618 1.00 0.00 N ATOM 0 H GLN A 559 -9.079 -16.106 4.202 1.00 0.00 H new ATOM 0 HA GLN A 559 -8.767 -16.585 6.973 1.00 0.00 H new ATOM 0 HB2 GLN A 559 -11.151 -16.633 5.065 1.00 0.00 H new ATOM 0 HB3 GLN A 559 -11.325 -16.869 6.793 1.00 0.00 H new ATOM 0 HG2 GLN A 559 -9.969 -14.383 5.735 1.00 0.00 H new ATOM 0 HG3 GLN A 559 -11.718 -14.499 5.727 1.00 0.00 H new ATOM 0 HE21 GLN A 559 -9.652 -15.890 8.351 1.00 0.00 H new ATOM 0 HE22 GLN A 559 -10.189 -14.751 9.591 1.00 0.00 H new ATOM 148 N LYS A 560 -9.781 -19.145 5.108 1.00 0.00 N ATOM 149 CA LYS A 560 -10.025 -20.600 5.075 1.00 0.00 C ATOM 150 C LYS A 560 -8.742 -21.395 5.392 1.00 0.00 C ATOM 151 O LYS A 560 -8.818 -22.432 6.032 1.00 0.00 O ATOM 152 CB LYS A 560 -10.611 -21.043 3.706 1.00 0.00 C ATOM 153 CG LYS A 560 -9.675 -20.808 2.501 1.00 0.00 C ATOM 154 CD LYS A 560 -10.219 -21.403 1.186 1.00 0.00 C ATOM 155 CE LYS A 560 -11.592 -20.839 0.783 1.00 0.00 C ATOM 156 NZ LYS A 560 -12.085 -21.454 -0.473 1.00 0.00 N ATOM 0 H LYS A 560 -9.959 -18.679 4.218 1.00 0.00 H new ATOM 0 HA LYS A 560 -10.760 -20.820 5.849 1.00 0.00 H new ATOM 0 HB2 LYS A 560 -10.857 -22.104 3.757 1.00 0.00 H new ATOM 0 HB3 LYS A 560 -11.544 -20.507 3.534 1.00 0.00 H new ATOM 0 HG2 LYS A 560 -9.521 -19.737 2.372 1.00 0.00 H new ATOM 0 HG3 LYS A 560 -8.700 -21.246 2.715 1.00 0.00 H new ATOM 0 HD2 LYS A 560 -9.505 -21.209 0.385 1.00 0.00 H new ATOM 0 HD3 LYS A 560 -10.295 -22.485 1.290 1.00 0.00 H new ATOM 0 HE2 LYS A 560 -12.310 -21.019 1.583 1.00 0.00 H new ATOM 0 HE3 LYS A 560 -11.520 -19.759 0.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 560 -13.013 -21.051 -0.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 560 -11.412 -21.261 -1.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 560 -12.177 -22.482 -0.343 1.00 0.00 H new ATOM 170 N LEU A 561 -7.570 -20.878 4.942 1.00 0.00 N ATOM 171 CA LEU A 561 -6.250 -21.491 5.233 1.00 0.00 C ATOM 172 C LEU A 561 -6.004 -21.538 6.747 1.00 0.00 C ATOM 173 O LEU A 561 -5.554 -22.552 7.280 1.00 0.00 O ATOM 174 CB LEU A 561 -5.109 -20.698 4.539 1.00 0.00 C ATOM 175 CG LEU A 561 -5.107 -20.701 2.983 1.00 0.00 C ATOM 176 CD1 LEU A 561 -3.955 -19.838 2.430 1.00 0.00 C ATOM 177 CD2 LEU A 561 -5.049 -22.135 2.420 1.00 0.00 C ATOM 0 H LEU A 561 -7.514 -20.033 4.373 1.00 0.00 H new ATOM 0 HA LEU A 561 -6.256 -22.508 4.841 1.00 0.00 H new ATOM 0 HB2 LEU A 561 -5.158 -19.663 4.878 1.00 0.00 H new ATOM 0 HB3 LEU A 561 -4.156 -21.101 4.882 1.00 0.00 H new ATOM 0 HG LEU A 561 -6.047 -20.259 2.652 1.00 0.00 H new ATOM 0 HD11 LEU A 561 -3.977 -19.857 1.340 1.00 0.00 H new ATOM 0 HD12 LEU A 561 -4.071 -18.811 2.777 1.00 0.00 H new ATOM 0 HD13 LEU A 561 -3.002 -20.235 2.781 1.00 0.00 H new ATOM 0 HD21 LEU A 561 -5.049 -22.098 1.331 1.00 0.00 H new ATOM 0 HD22 LEU A 561 -4.139 -22.625 2.766 1.00 0.00 H new ATOM 0 HD23 LEU A 561 -5.918 -22.696 2.764 1.00 0.00 H new ATOM 189 N LEU A 562 -6.328 -20.414 7.413 1.00 0.00 N ATOM 190 CA LEU A 562 -6.209 -20.279 8.872 1.00 0.00 C ATOM 191 C LEU A 562 -7.213 -21.212 9.579 1.00 0.00 C ATOM 192 O LEU A 562 -6.826 -21.995 10.422 1.00 0.00 O ATOM 193 CB LEU A 562 -6.439 -18.796 9.300 1.00 0.00 C ATOM 194 CG LEU A 562 -6.336 -18.483 10.831 1.00 0.00 C ATOM 195 CD1 LEU A 562 -4.930 -18.800 11.382 1.00 0.00 C ATOM 196 CD2 LEU A 562 -6.746 -17.019 11.133 1.00 0.00 C ATOM 0 H LEU A 562 -6.680 -19.575 6.952 1.00 0.00 H new ATOM 0 HA LEU A 562 -5.201 -20.569 9.170 1.00 0.00 H new ATOM 0 HB2 LEU A 562 -5.714 -18.174 8.776 1.00 0.00 H new ATOM 0 HB3 LEU A 562 -7.428 -18.492 8.956 1.00 0.00 H new ATOM 0 HG LEU A 562 -7.040 -19.136 11.347 1.00 0.00 H new ATOM 0 HD11 LEU A 562 -4.896 -18.570 12.447 1.00 0.00 H new ATOM 0 HD12 LEU A 562 -4.710 -19.857 11.232 1.00 0.00 H new ATOM 0 HD13 LEU A 562 -4.189 -18.197 10.857 1.00 0.00 H new ATOM 0 HD21 LEU A 562 -6.664 -16.832 12.204 1.00 0.00 H new ATOM 0 HD22 LEU A 562 -6.087 -16.338 10.594 1.00 0.00 H new ATOM 0 HD23 LEU A 562 -7.775 -16.856 10.814 1.00 0.00 H new ATOM 208 N GLU A 563 -8.485 -21.158 9.146 1.00 0.00 N ATOM 209 CA GLU A 563 -9.623 -21.822 9.819 1.00 0.00 C ATOM 210 C GLU A 563 -9.524 -23.355 9.757 1.00 0.00 C ATOM 211 O GLU A 563 -9.815 -24.034 10.749 1.00 0.00 O ATOM 212 CB GLU A 563 -10.964 -21.315 9.217 1.00 0.00 C ATOM 213 CG GLU A 563 -11.227 -19.816 9.464 1.00 0.00 C ATOM 214 CD GLU A 563 -12.527 -19.312 8.814 1.00 0.00 C ATOM 215 OE1 GLU A 563 -12.497 -18.906 7.626 1.00 0.00 O ATOM 216 OE2 GLU A 563 -13.584 -19.321 9.485 1.00 0.00 O ATOM 0 H GLU A 563 -8.759 -20.646 8.307 1.00 0.00 H new ATOM 0 HA GLU A 563 -9.588 -21.556 10.875 1.00 0.00 H new ATOM 0 HB2 GLU A 563 -10.964 -21.503 8.143 1.00 0.00 H new ATOM 0 HB3 GLU A 563 -11.784 -21.894 9.642 1.00 0.00 H new ATOM 0 HG2 GLU A 563 -11.271 -19.634 10.538 1.00 0.00 H new ATOM 0 HG3 GLU A 563 -10.388 -19.238 9.077 1.00 0.00 H new ATOM 223 N GLN A 564 -9.091 -23.898 8.605 1.00 0.00 N ATOM 224 CA GLN A 564 -8.889 -25.352 8.452 1.00 0.00 C ATOM 225 C GLN A 564 -7.654 -25.801 9.246 1.00 0.00 C ATOM 226 O GLN A 564 -7.624 -26.910 9.752 1.00 0.00 O ATOM 227 CB GLN A 564 -8.819 -25.786 6.948 1.00 0.00 C ATOM 228 CG GLN A 564 -7.614 -25.270 6.103 1.00 0.00 C ATOM 229 CD GLN A 564 -6.281 -26.024 6.293 1.00 0.00 C ATOM 230 OE1 GLN A 564 -6.342 -27.323 6.582 1.00 0.00 O flip ATOM 231 NE2 GLN A 564 -5.204 -25.438 6.169 1.00 0.00 N flip ATOM 0 H GLN A 564 -8.875 -23.355 7.769 1.00 0.00 H new ATOM 0 HA GLN A 564 -9.760 -25.860 8.866 1.00 0.00 H new ATOM 0 HB2 GLN A 564 -8.812 -26.875 6.913 1.00 0.00 H new ATOM 0 HB3 GLN A 564 -9.737 -25.457 6.460 1.00 0.00 H new ATOM 0 HG2 GLN A 564 -7.888 -25.318 5.049 1.00 0.00 H new ATOM 0 HG3 GLN A 564 -7.451 -24.219 6.343 1.00 0.00 H new ATOM 0 HE21 GLN A 564 -5.188 -24.443 5.947 1.00 0.00 H new ATOM 0 HE22 GLN A 564 -4.329 -25.948 6.288 1.00 0.00 H new ATOM 240 N ALA A 565 -6.648 -24.908 9.359 1.00 0.00 N ATOM 241 CA ALA A 565 -5.408 -25.163 10.129 1.00 0.00 C ATOM 242 C ALA A 565 -5.668 -25.090 11.650 1.00 0.00 C ATOM 243 O ALA A 565 -4.953 -25.709 12.445 1.00 0.00 O ATOM 244 CB ALA A 565 -4.316 -24.175 9.708 1.00 0.00 C ATOM 0 H ALA A 565 -6.671 -23.988 8.919 1.00 0.00 H new ATOM 0 HA ALA A 565 -5.066 -26.174 9.907 1.00 0.00 H new ATOM 0 HB1 ALA A 565 -3.409 -24.370 10.279 1.00 0.00 H new ATOM 0 HB2 ALA A 565 -4.108 -24.294 8.645 1.00 0.00 H new ATOM 0 HB3 ALA A 565 -4.653 -23.156 9.900 1.00 0.00 H new ATOM 250 N LEU A 566 -6.687 -24.304 12.037 1.00 0.00 N ATOM 251 CA LEU A 566 -7.174 -24.234 13.425 1.00 0.00 C ATOM 252 C LEU A 566 -7.858 -25.561 13.819 1.00 0.00 C ATOM 253 O LEU A 566 -7.882 -25.930 14.998 1.00 0.00 O ATOM 254 CB LEU A 566 -8.157 -23.044 13.600 1.00 0.00 C ATOM 255 CG LEU A 566 -7.548 -21.612 13.419 1.00 0.00 C ATOM 256 CD1 LEU A 566 -8.647 -20.528 13.338 1.00 0.00 C ATOM 257 CD2 LEU A 566 -6.520 -21.291 14.526 1.00 0.00 C ATOM 0 H LEU A 566 -7.197 -23.698 11.394 1.00 0.00 H new ATOM 0 HA LEU A 566 -6.320 -24.073 14.083 1.00 0.00 H new ATOM 0 HB2 LEU A 566 -8.970 -23.163 12.884 1.00 0.00 H new ATOM 0 HB3 LEU A 566 -8.597 -23.106 14.596 1.00 0.00 H new ATOM 0 HG LEU A 566 -7.018 -21.606 12.467 1.00 0.00 H new ATOM 0 HD11 LEU A 566 -8.184 -19.549 13.213 1.00 0.00 H new ATOM 0 HD12 LEU A 566 -9.298 -20.733 12.488 1.00 0.00 H new ATOM 0 HD13 LEU A 566 -9.235 -20.536 14.256 1.00 0.00 H new ATOM 0 HD21 LEU A 566 -6.118 -20.290 14.370 1.00 0.00 H new ATOM 0 HD22 LEU A 566 -7.007 -21.338 15.500 1.00 0.00 H new ATOM 0 HD23 LEU A 566 -5.709 -22.018 14.491 1.00 0.00 H new ATOM 269 N LYS A 567 -8.412 -26.258 12.808 1.00 0.00 N ATOM 270 CA LYS A 567 -9.078 -27.562 12.981 1.00 0.00 C ATOM 271 C LYS A 567 -8.077 -28.734 12.857 1.00 0.00 C ATOM 272 O LYS A 567 -8.174 -29.719 13.599 1.00 0.00 O ATOM 273 CB LYS A 567 -10.231 -27.718 11.943 1.00 0.00 C ATOM 274 CG LYS A 567 -11.407 -26.720 12.121 1.00 0.00 C ATOM 275 CD LYS A 567 -12.034 -26.786 13.540 1.00 0.00 C ATOM 276 CE LYS A 567 -12.573 -28.188 13.909 1.00 0.00 C ATOM 277 NZ LYS A 567 -12.851 -28.312 15.360 1.00 0.00 N ATOM 0 H LYS A 567 -8.410 -25.929 11.842 1.00 0.00 H new ATOM 0 HA LYS A 567 -9.497 -27.593 13.987 1.00 0.00 H new ATOM 0 HB2 LYS A 567 -9.818 -27.596 10.942 1.00 0.00 H new ATOM 0 HB3 LYS A 567 -10.622 -28.733 12.005 1.00 0.00 H new ATOM 0 HG2 LYS A 567 -11.052 -25.707 11.931 1.00 0.00 H new ATOM 0 HG3 LYS A 567 -12.175 -26.933 11.378 1.00 0.00 H new ATOM 0 HD2 LYS A 567 -11.285 -26.488 14.274 1.00 0.00 H new ATOM 0 HD3 LYS A 567 -12.848 -26.064 13.603 1.00 0.00 H new ATOM 0 HE2 LYS A 567 -13.486 -28.385 13.347 1.00 0.00 H new ATOM 0 HE3 LYS A 567 -11.847 -28.945 13.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 567 -13.210 -29.266 15.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 567 -11.975 -28.150 15.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 567 -13.563 -27.607 15.639 1.00 0.00 H new ATOM 291 N THR A 568 -7.121 -28.608 11.921 1.00 0.00 N ATOM 292 CA THR A 568 -6.138 -29.670 11.610 1.00 0.00 C ATOM 293 C THR A 568 -5.084 -29.773 12.726 1.00 0.00 C ATOM 294 O THR A 568 -4.728 -30.875 13.169 1.00 0.00 O ATOM 295 CB THR A 568 -5.453 -29.403 10.222 1.00 0.00 C ATOM 296 OG1 THR A 568 -6.459 -29.337 9.199 1.00 0.00 O ATOM 297 CG2 THR A 568 -4.432 -30.491 9.836 1.00 0.00 C ATOM 0 H THR A 568 -7.005 -27.767 11.356 1.00 0.00 H new ATOM 0 HA THR A 568 -6.668 -30.621 11.550 1.00 0.00 H new ATOM 0 HB THR A 568 -4.914 -28.460 10.312 1.00 0.00 H new ATOM 0 HG1 THR A 568 -6.960 -28.500 9.287 1.00 0.00 H new ATOM 0 HG21 THR A 568 -3.993 -30.251 8.868 1.00 0.00 H new ATOM 0 HG22 THR A 568 -3.646 -30.536 10.590 1.00 0.00 H new ATOM 0 HG23 THR A 568 -4.934 -31.457 9.777 1.00 0.00 H new ATOM 305 N TYR A 569 -4.624 -28.607 13.207 1.00 0.00 N ATOM 306 CA TYR A 569 -3.610 -28.510 14.272 1.00 0.00 C ATOM 307 C TYR A 569 -4.302 -28.112 15.591 1.00 0.00 C ATOM 308 O TYR A 569 -5.047 -27.129 15.608 1.00 0.00 O ATOM 309 CB TYR A 569 -2.510 -27.478 13.867 1.00 0.00 C ATOM 310 CG TYR A 569 -1.899 -27.774 12.488 1.00 0.00 C ATOM 311 CD1 TYR A 569 -1.330 -29.023 12.217 1.00 0.00 C ATOM 312 CD2 TYR A 569 -1.924 -26.839 11.450 1.00 0.00 C ATOM 313 CE1 TYR A 569 -0.808 -29.323 10.976 1.00 0.00 C ATOM 314 CE2 TYR A 569 -1.408 -27.139 10.201 1.00 0.00 C ATOM 315 CZ TYR A 569 -0.851 -28.382 9.969 1.00 0.00 C ATOM 316 OH TYR A 569 -0.339 -28.683 8.726 1.00 0.00 O ATOM 0 H TYR A 569 -4.946 -27.701 12.867 1.00 0.00 H new ATOM 0 HA TYR A 569 -3.121 -29.474 14.415 1.00 0.00 H new ATOM 0 HB2 TYR A 569 -2.941 -26.477 13.862 1.00 0.00 H new ATOM 0 HB3 TYR A 569 -1.720 -27.481 14.618 1.00 0.00 H new ATOM 0 HD1 TYR A 569 -1.299 -29.769 12.997 1.00 0.00 H new ATOM 0 HD2 TYR A 569 -2.354 -25.864 11.625 1.00 0.00 H new ATOM 0 HE1 TYR A 569 -0.367 -30.292 10.794 1.00 0.00 H new ATOM 0 HE2 TYR A 569 -1.441 -26.404 9.410 1.00 0.00 H new ATOM 0 HH TYR A 569 -0.449 -27.912 8.131 1.00 0.00 H new ATOM 326 N PRO A 570 -4.136 -28.906 16.702 1.00 0.00 N ATOM 327 CA PRO A 570 -4.665 -28.543 18.035 1.00 0.00 C ATOM 328 C PRO A 570 -3.714 -27.596 18.799 1.00 0.00 C ATOM 329 O PRO A 570 -2.504 -27.580 18.540 1.00 0.00 O ATOM 330 CB PRO A 570 -4.784 -29.919 18.733 1.00 0.00 C ATOM 331 CG PRO A 570 -3.631 -30.707 18.181 1.00 0.00 C ATOM 332 CD PRO A 570 -3.450 -30.235 16.739 1.00 0.00 C ATOM 0 HA PRO A 570 -5.606 -27.996 17.988 1.00 0.00 H new ATOM 0 HB2 PRO A 570 -4.720 -29.824 19.817 1.00 0.00 H new ATOM 0 HB3 PRO A 570 -5.738 -30.398 18.511 1.00 0.00 H new ATOM 0 HG2 PRO A 570 -2.726 -30.535 18.764 1.00 0.00 H new ATOM 0 HG3 PRO A 570 -3.836 -31.777 18.218 1.00 0.00 H new ATOM 0 HD2 PRO A 570 -2.395 -30.147 16.478 1.00 0.00 H new ATOM 0 HD3 PRO A 570 -3.896 -30.934 16.032 1.00 0.00 H new ATOM 340 N VAL A 571 -4.279 -26.825 19.751 1.00 0.00 N ATOM 341 CA VAL A 571 -3.519 -25.884 20.621 1.00 0.00 C ATOM 342 C VAL A 571 -2.467 -26.640 21.490 1.00 0.00 C ATOM 343 O VAL A 571 -1.452 -26.064 21.905 1.00 0.00 O ATOM 344 CB VAL A 571 -4.509 -25.044 21.531 1.00 0.00 C ATOM 345 CG1 VAL A 571 -5.314 -25.955 22.496 1.00 0.00 C ATOM 346 CG2 VAL A 571 -3.770 -23.912 22.305 1.00 0.00 C ATOM 0 H VAL A 571 -5.281 -26.833 19.944 1.00 0.00 H new ATOM 0 HA VAL A 571 -2.977 -25.193 19.976 1.00 0.00 H new ATOM 0 HB VAL A 571 -5.223 -24.564 20.861 1.00 0.00 H new ATOM 0 HG11 VAL A 571 -5.981 -25.343 23.103 1.00 0.00 H new ATOM 0 HG12 VAL A 571 -5.902 -26.668 21.918 1.00 0.00 H new ATOM 0 HG13 VAL A 571 -4.625 -26.495 23.146 1.00 0.00 H new ATOM 0 HG21 VAL A 571 -4.486 -23.362 22.916 1.00 0.00 H new ATOM 0 HG22 VAL A 571 -3.006 -24.349 22.947 1.00 0.00 H new ATOM 0 HG23 VAL A 571 -3.301 -23.232 21.594 1.00 0.00 H new ATOM 356 N ASN A 572 -2.724 -27.947 21.706 1.00 0.00 N ATOM 357 CA ASN A 572 -1.858 -28.853 22.498 1.00 0.00 C ATOM 358 C ASN A 572 -0.498 -29.097 21.804 1.00 0.00 C ATOM 359 O ASN A 572 0.486 -29.449 22.464 1.00 0.00 O ATOM 360 CB ASN A 572 -2.586 -30.201 22.723 1.00 0.00 C ATOM 361 CG ASN A 572 -3.985 -30.022 23.315 1.00 0.00 C ATOM 362 OD1 ASN A 572 -4.965 -29.874 22.580 1.00 0.00 O ATOM 363 ND2 ASN A 572 -4.091 -29.990 24.636 1.00 0.00 N ATOM 0 H ASN A 572 -3.551 -28.412 21.331 1.00 0.00 H new ATOM 0 HA ASN A 572 -1.658 -28.375 23.457 1.00 0.00 H new ATOM 0 HB2 ASN A 572 -2.662 -30.731 21.774 1.00 0.00 H new ATOM 0 HB3 ASN A 572 -1.990 -30.825 23.390 1.00 0.00 H new ATOM 0 HD21 ASN A 572 -5.001 -29.840 25.071 1.00 0.00 H new ATOM 0 HD22 ASN A 572 -3.262 -30.116 25.217 1.00 0.00 H new ATOM 370 N THR A 573 -0.472 -28.935 20.471 1.00 0.00 N ATOM 371 CA THR A 573 0.752 -29.051 19.663 1.00 0.00 C ATOM 372 C THR A 573 1.644 -27.801 19.877 1.00 0.00 C ATOM 373 O THR A 573 1.158 -26.681 19.726 1.00 0.00 O ATOM 374 CB THR A 573 0.385 -29.221 18.148 1.00 0.00 C ATOM 375 OG1 THR A 573 -0.364 -30.434 17.966 1.00 0.00 O ATOM 376 CG2 THR A 573 1.615 -29.248 17.223 1.00 0.00 C ATOM 0 H THR A 573 -1.304 -28.719 19.921 1.00 0.00 H new ATOM 0 HA THR A 573 1.309 -29.933 19.980 1.00 0.00 H new ATOM 0 HB THR A 573 -0.208 -28.349 17.872 1.00 0.00 H new ATOM 0 HG1 THR A 573 -0.321 -30.707 17.026 1.00 0.00 H new ATOM 0 HG21 THR A 573 1.290 -29.368 16.189 1.00 0.00 H new ATOM 0 HG22 THR A 573 2.167 -28.313 17.324 1.00 0.00 H new ATOM 0 HG23 THR A 573 2.260 -30.082 17.500 1.00 0.00 H new ATOM 384 N PRO A 574 2.961 -27.965 20.265 1.00 0.00 N ATOM 385 CA PRO A 574 3.904 -26.817 20.428 1.00 0.00 C ATOM 386 C PRO A 574 4.170 -26.093 19.089 1.00 0.00 C ATOM 387 O PRO A 574 4.479 -24.895 19.045 1.00 0.00 O ATOM 388 CB PRO A 574 5.202 -27.478 20.978 1.00 0.00 C ATOM 389 CG PRO A 574 4.770 -28.824 21.487 1.00 0.00 C ATOM 390 CD PRO A 574 3.630 -29.252 20.593 1.00 0.00 C ATOM 0 HA PRO A 574 3.506 -26.048 21.089 1.00 0.00 H new ATOM 0 HB2 PRO A 574 5.956 -27.575 20.197 1.00 0.00 H new ATOM 0 HB3 PRO A 574 5.643 -26.878 21.774 1.00 0.00 H new ATOM 0 HG2 PRO A 574 5.591 -29.540 21.445 1.00 0.00 H new ATOM 0 HG3 PRO A 574 4.451 -28.765 22.528 1.00 0.00 H new ATOM 0 HD2 PRO A 574 3.988 -29.760 19.698 1.00 0.00 H new ATOM 0 HD3 PRO A 574 2.955 -29.940 21.102 1.00 0.00 H new ATOM 398 N GLU A 575 4.026 -26.862 17.996 1.00 0.00 N ATOM 399 CA GLU A 575 4.250 -26.403 16.616 1.00 0.00 C ATOM 400 C GLU A 575 2.929 -25.928 15.966 1.00 0.00 C ATOM 401 O GLU A 575 2.837 -25.867 14.742 1.00 0.00 O ATOM 402 CB GLU A 575 4.858 -27.571 15.793 1.00 0.00 C ATOM 403 CG GLU A 575 6.087 -28.252 16.430 1.00 0.00 C ATOM 404 CD GLU A 575 6.583 -29.454 15.606 1.00 0.00 C ATOM 405 OE1 GLU A 575 5.971 -30.544 15.708 1.00 0.00 O ATOM 406 OE2 GLU A 575 7.568 -29.307 14.844 1.00 0.00 O ATOM 0 H GLU A 575 3.745 -27.841 18.050 1.00 0.00 H new ATOM 0 HA GLU A 575 4.937 -25.557 16.630 1.00 0.00 H new ATOM 0 HB2 GLU A 575 4.086 -28.324 15.636 1.00 0.00 H new ATOM 0 HB3 GLU A 575 5.140 -27.194 14.810 1.00 0.00 H new ATOM 0 HG2 GLU A 575 6.893 -27.524 16.528 1.00 0.00 H new ATOM 0 HG3 GLU A 575 5.834 -28.584 17.437 1.00 0.00 H new ATOM 413 N ARG A 576 1.939 -25.561 16.804 1.00 0.00 N ATOM 414 CA ARG A 576 0.558 -25.243 16.369 1.00 0.00 C ATOM 415 C ARG A 576 0.542 -24.141 15.294 1.00 0.00 C ATOM 416 O ARG A 576 0.153 -24.384 14.148 1.00 0.00 O ATOM 417 CB ARG A 576 -0.274 -24.812 17.618 1.00 0.00 C ATOM 418 CG ARG A 576 -1.818 -24.754 17.449 1.00 0.00 C ATOM 419 CD ARG A 576 -2.379 -23.407 16.963 1.00 0.00 C ATOM 420 NE ARG A 576 -3.844 -23.369 17.092 1.00 0.00 N ATOM 421 CZ ARG A 576 -4.703 -24.014 16.292 1.00 0.00 C ATOM 422 NH1 ARG A 576 -4.296 -24.560 15.145 1.00 0.00 N ATOM 423 NH2 ARG A 576 -5.982 -24.078 16.624 1.00 0.00 N ATOM 0 H ARG A 576 2.074 -25.475 17.811 1.00 0.00 H new ATOM 0 HA ARG A 576 0.115 -26.131 15.918 1.00 0.00 H new ATOM 0 HB2 ARG A 576 -0.047 -25.502 18.431 1.00 0.00 H new ATOM 0 HB3 ARG A 576 0.070 -23.826 17.931 1.00 0.00 H new ATOM 0 HG2 ARG A 576 -2.119 -25.529 16.744 1.00 0.00 H new ATOM 0 HG3 ARG A 576 -2.280 -24.997 18.406 1.00 0.00 H new ATOM 0 HD2 ARG A 576 -1.938 -22.595 17.542 1.00 0.00 H new ATOM 0 HD3 ARG A 576 -2.098 -23.246 15.922 1.00 0.00 H new ATOM 0 HE ARG A 576 -4.236 -22.808 17.849 1.00 0.00 H new ATOM 0 HH11 ARG A 576 -3.318 -24.490 14.866 1.00 0.00 H new ATOM 0 HH12 ARG A 576 -4.963 -25.048 14.547 1.00 0.00 H new ATOM 0 HH21 ARG A 576 -6.308 -23.638 17.484 1.00 0.00 H new ATOM 0 HH22 ARG A 576 -6.642 -24.567 16.020 1.00 0.00 H new ATOM 437 N TRP A 577 1.023 -22.948 15.678 1.00 0.00 N ATOM 438 CA TRP A 577 1.073 -21.780 14.783 1.00 0.00 C ATOM 439 C TRP A 577 2.254 -21.876 13.792 1.00 0.00 C ATOM 440 O TRP A 577 2.242 -21.227 12.740 1.00 0.00 O ATOM 441 CB TRP A 577 1.133 -20.470 15.613 1.00 0.00 C ATOM 442 CG TRP A 577 -0.094 -20.248 16.482 1.00 0.00 C ATOM 443 CD1 TRP A 577 -0.229 -20.534 17.814 1.00 0.00 C ATOM 444 CD2 TRP A 577 -1.360 -19.704 16.067 1.00 0.00 C ATOM 445 NE1 TRP A 577 -1.487 -20.202 18.246 1.00 0.00 N ATOM 446 CE2 TRP A 577 -2.201 -19.696 17.196 1.00 0.00 C ATOM 447 CE3 TRP A 577 -1.862 -19.232 14.851 1.00 0.00 C ATOM 448 CZ2 TRP A 577 -3.517 -19.239 17.141 1.00 0.00 C ATOM 449 CZ3 TRP A 577 -3.163 -18.771 14.801 1.00 0.00 C ATOM 450 CH2 TRP A 577 -3.975 -18.775 15.939 1.00 0.00 C ATOM 0 H TRP A 577 1.387 -22.766 16.613 1.00 0.00 H new ATOM 0 HA TRP A 577 0.160 -21.767 14.188 1.00 0.00 H new ATOM 0 HB2 TRP A 577 2.019 -20.491 16.247 1.00 0.00 H new ATOM 0 HB3 TRP A 577 1.246 -19.624 14.935 1.00 0.00 H new ATOM 0 HD1 TRP A 577 0.545 -20.960 18.435 1.00 0.00 H new ATOM 0 HE1 TRP A 577 -1.834 -20.315 19.198 1.00 0.00 H new ATOM 0 HE3 TRP A 577 -1.243 -19.228 13.966 1.00 0.00 H new ATOM 0 HZ2 TRP A 577 -4.151 -19.251 18.015 1.00 0.00 H new ATOM 0 HZ3 TRP A 577 -3.560 -18.401 13.867 1.00 0.00 H new ATOM 0 HH2 TRP A 577 -4.987 -18.403 15.867 1.00 0.00 H new ATOM 461 N LYS A 578 3.253 -22.714 14.128 1.00 0.00 N ATOM 462 CA LYS A 578 4.445 -22.946 13.273 1.00 0.00 C ATOM 463 C LYS A 578 4.029 -23.663 11.973 1.00 0.00 C ATOM 464 O LYS A 578 4.529 -23.359 10.886 1.00 0.00 O ATOM 465 CB LYS A 578 5.525 -23.797 14.015 1.00 0.00 C ATOM 466 CG LYS A 578 6.257 -23.107 15.197 1.00 0.00 C ATOM 467 CD LYS A 578 5.353 -22.825 16.419 1.00 0.00 C ATOM 468 CE LYS A 578 6.117 -22.209 17.598 1.00 0.00 C ATOM 469 NZ LYS A 578 5.220 -21.967 18.759 1.00 0.00 N ATOM 0 H LYS A 578 3.262 -23.250 14.996 1.00 0.00 H new ATOM 0 HA LYS A 578 4.879 -21.974 13.037 1.00 0.00 H new ATOM 0 HB2 LYS A 578 5.048 -24.702 14.391 1.00 0.00 H new ATOM 0 HB3 LYS A 578 6.273 -24.110 13.286 1.00 0.00 H new ATOM 0 HG2 LYS A 578 7.090 -23.736 15.512 1.00 0.00 H new ATOM 0 HG3 LYS A 578 6.682 -22.166 14.848 1.00 0.00 H new ATOM 0 HD2 LYS A 578 4.549 -22.151 16.122 1.00 0.00 H new ATOM 0 HD3 LYS A 578 4.886 -23.756 16.742 1.00 0.00 H new ATOM 0 HE2 LYS A 578 6.928 -22.874 17.895 1.00 0.00 H new ATOM 0 HE3 LYS A 578 6.573 -21.269 17.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 578 5.763 -21.535 19.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 578 4.451 -21.327 18.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 578 4.818 -22.870 19.081 1.00 0.00 H new ATOM 483 N LYS A 579 3.109 -24.623 12.110 1.00 0.00 N ATOM 484 CA LYS A 579 2.546 -25.382 10.980 1.00 0.00 C ATOM 485 C LYS A 579 1.459 -24.561 10.257 1.00 0.00 C ATOM 486 O LYS A 579 1.158 -24.816 9.085 1.00 0.00 O ATOM 487 CB LYS A 579 1.985 -26.728 11.487 1.00 0.00 C ATOM 488 CG LYS A 579 3.046 -27.675 12.092 1.00 0.00 C ATOM 489 CD LYS A 579 2.422 -28.969 12.662 1.00 0.00 C ATOM 490 CE LYS A 579 3.466 -29.970 13.186 1.00 0.00 C ATOM 491 NZ LYS A 579 2.825 -31.226 13.652 1.00 0.00 N ATOM 0 H LYS A 579 2.728 -24.900 13.015 1.00 0.00 H new ATOM 0 HA LYS A 579 3.337 -25.585 10.258 1.00 0.00 H new ATOM 0 HB2 LYS A 579 1.222 -26.529 12.239 1.00 0.00 H new ATOM 0 HB3 LYS A 579 1.491 -27.237 10.659 1.00 0.00 H new ATOM 0 HG2 LYS A 579 3.777 -27.934 11.326 1.00 0.00 H new ATOM 0 HG3 LYS A 579 3.584 -27.155 12.884 1.00 0.00 H new ATOM 0 HD2 LYS A 579 1.740 -28.709 13.472 1.00 0.00 H new ATOM 0 HD3 LYS A 579 1.826 -29.449 11.886 1.00 0.00 H new ATOM 0 HE2 LYS A 579 4.183 -30.197 12.397 1.00 0.00 H new ATOM 0 HE3 LYS A 579 4.025 -29.519 14.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 579 3.555 -31.880 13.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 579 2.159 -31.011 14.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 579 2.312 -31.667 12.863 1.00 0.00 H new ATOM 505 N ILE A 580 0.850 -23.596 10.978 1.00 0.00 N ATOM 506 CA ILE A 580 -0.075 -22.594 10.388 1.00 0.00 C ATOM 507 C ILE A 580 0.698 -21.608 9.478 1.00 0.00 C ATOM 508 O ILE A 580 0.129 -21.034 8.549 1.00 0.00 O ATOM 509 CB ILE A 580 -0.903 -21.848 11.519 1.00 0.00 C ATOM 510 CG1 ILE A 580 -1.904 -22.852 12.189 1.00 0.00 C ATOM 511 CG2 ILE A 580 -1.638 -20.584 11.003 1.00 0.00 C ATOM 512 CD1 ILE A 580 -2.807 -22.267 13.261 1.00 0.00 C ATOM 0 H ILE A 580 0.982 -23.486 11.983 1.00 0.00 H new ATOM 0 HA ILE A 580 -0.798 -23.114 9.760 1.00 0.00 H new ATOM 0 HB ILE A 580 -0.191 -21.493 12.264 1.00 0.00 H new ATOM 0 HG12 ILE A 580 -2.530 -23.286 11.410 1.00 0.00 H new ATOM 0 HG13 ILE A 580 -1.331 -23.668 12.629 1.00 0.00 H new ATOM 0 HG21 ILE A 580 -2.185 -20.121 11.824 1.00 0.00 H new ATOM 0 HG22 ILE A 580 -0.910 -19.876 10.607 1.00 0.00 H new ATOM 0 HG23 ILE A 580 -2.336 -20.866 10.215 1.00 0.00 H new ATOM 0 HD11 ILE A 580 -3.457 -23.048 13.655 1.00 0.00 H new ATOM 0 HD12 ILE A 580 -2.197 -21.860 14.068 1.00 0.00 H new ATOM 0 HD13 ILE A 580 -3.416 -21.472 12.830 1.00 0.00 H new ATOM 524 N ALA A 581 1.997 -21.410 9.761 1.00 0.00 N ATOM 525 CA ALA A 581 2.921 -20.695 8.839 1.00 0.00 C ATOM 526 C ALA A 581 3.024 -21.401 7.474 1.00 0.00 C ATOM 527 O ALA A 581 3.107 -20.747 6.425 1.00 0.00 O ATOM 528 CB ALA A 581 4.317 -20.528 9.471 1.00 0.00 C ATOM 0 H ALA A 581 2.440 -21.733 10.621 1.00 0.00 H new ATOM 0 HA ALA A 581 2.501 -19.704 8.668 1.00 0.00 H new ATOM 0 HB1 ALA A 581 4.971 -20.002 8.775 1.00 0.00 H new ATOM 0 HB2 ALA A 581 4.232 -19.954 10.394 1.00 0.00 H new ATOM 0 HB3 ALA A 581 4.736 -21.510 9.692 1.00 0.00 H new ATOM 534 N GLU A 582 3.010 -22.741 7.516 1.00 0.00 N ATOM 535 CA GLU A 582 3.062 -23.597 6.319 1.00 0.00 C ATOM 536 C GLU A 582 1.684 -23.659 5.624 1.00 0.00 C ATOM 537 O GLU A 582 1.607 -23.791 4.402 1.00 0.00 O ATOM 538 CB GLU A 582 3.541 -25.014 6.719 1.00 0.00 C ATOM 539 CG GLU A 582 4.922 -25.038 7.406 1.00 0.00 C ATOM 540 CD GLU A 582 5.351 -26.447 7.852 1.00 0.00 C ATOM 541 OE1 GLU A 582 5.582 -27.311 6.975 1.00 0.00 O ATOM 542 OE2 GLU A 582 5.495 -26.686 9.076 1.00 0.00 O ATOM 0 H GLU A 582 2.962 -23.267 8.389 1.00 0.00 H new ATOM 0 HA GLU A 582 3.769 -23.169 5.608 1.00 0.00 H new ATOM 0 HB2 GLU A 582 2.805 -25.460 7.389 1.00 0.00 H new ATOM 0 HB3 GLU A 582 3.579 -25.639 5.827 1.00 0.00 H new ATOM 0 HG2 GLU A 582 5.669 -24.637 6.721 1.00 0.00 H new ATOM 0 HG3 GLU A 582 4.900 -24.380 8.274 1.00 0.00 H new ATOM 549 N ALA A 583 0.606 -23.557 6.426 1.00 0.00 N ATOM 550 CA ALA A 583 -0.789 -23.606 5.930 1.00 0.00 C ATOM 551 C ALA A 583 -1.217 -22.268 5.295 1.00 0.00 C ATOM 552 O ALA A 583 -1.957 -22.251 4.304 1.00 0.00 O ATOM 553 CB ALA A 583 -1.739 -23.987 7.079 1.00 0.00 C ATOM 0 H ALA A 583 0.675 -23.438 7.437 1.00 0.00 H new ATOM 0 HA ALA A 583 -0.843 -24.366 5.151 1.00 0.00 H new ATOM 0 HB1 ALA A 583 -2.763 -24.021 6.708 1.00 0.00 H new ATOM 0 HB2 ALA A 583 -1.462 -24.966 7.471 1.00 0.00 H new ATOM 0 HB3 ALA A 583 -1.666 -23.244 7.873 1.00 0.00 H new ATOM 559 N VAL A 584 -0.741 -21.155 5.886 1.00 0.00 N ATOM 560 CA VAL A 584 -1.122 -19.785 5.487 1.00 0.00 C ATOM 561 C VAL A 584 0.162 -19.012 5.084 1.00 0.00 C ATOM 562 O VAL A 584 0.888 -18.522 5.965 1.00 0.00 O ATOM 563 CB VAL A 584 -1.870 -19.001 6.646 1.00 0.00 C ATOM 564 CG1 VAL A 584 -2.638 -17.785 6.080 1.00 0.00 C ATOM 565 CG2 VAL A 584 -2.811 -19.913 7.466 1.00 0.00 C ATOM 0 H VAL A 584 -0.076 -21.181 6.659 1.00 0.00 H new ATOM 0 HA VAL A 584 -1.816 -19.858 4.650 1.00 0.00 H new ATOM 0 HB VAL A 584 -1.102 -18.641 7.331 1.00 0.00 H new ATOM 0 HG11 VAL A 584 -3.143 -17.263 6.893 1.00 0.00 H new ATOM 0 HG12 VAL A 584 -1.937 -17.107 5.593 1.00 0.00 H new ATOM 0 HG13 VAL A 584 -3.376 -18.127 5.354 1.00 0.00 H new ATOM 0 HG21 VAL A 584 -3.298 -19.327 8.246 1.00 0.00 H new ATOM 0 HG22 VAL A 584 -3.568 -20.341 6.808 1.00 0.00 H new ATOM 0 HG23 VAL A 584 -2.232 -20.716 7.923 1.00 0.00 H new ATOM 575 N PRO A 585 0.496 -18.939 3.754 1.00 0.00 N ATOM 576 CA PRO A 585 1.708 -18.231 3.260 1.00 0.00 C ATOM 577 C PRO A 585 1.577 -16.693 3.364 1.00 0.00 C ATOM 578 O PRO A 585 0.471 -16.141 3.261 1.00 0.00 O ATOM 579 CB PRO A 585 1.803 -18.689 1.778 1.00 0.00 C ATOM 580 CG PRO A 585 0.381 -18.965 1.388 1.00 0.00 C ATOM 581 CD PRO A 585 -0.268 -19.544 2.628 1.00 0.00 C ATOM 0 HA PRO A 585 2.595 -18.468 3.847 1.00 0.00 H new ATOM 0 HB2 PRO A 585 2.246 -17.916 1.150 1.00 0.00 H new ATOM 0 HB3 PRO A 585 2.424 -19.579 1.675 1.00 0.00 H new ATOM 0 HG2 PRO A 585 -0.124 -18.053 1.069 1.00 0.00 H new ATOM 0 HG3 PRO A 585 0.331 -19.665 0.554 1.00 0.00 H new ATOM 0 HD2 PRO A 585 -1.326 -19.287 2.681 1.00 0.00 H new ATOM 0 HD3 PRO A 585 -0.203 -20.632 2.641 1.00 0.00 H new ATOM 589 N GLY A 586 2.716 -16.015 3.617 1.00 0.00 N ATOM 590 CA GLY A 586 2.791 -14.546 3.622 1.00 0.00 C ATOM 591 C GLY A 586 2.396 -13.902 4.954 1.00 0.00 C ATOM 592 O GLY A 586 3.003 -12.911 5.375 1.00 0.00 O ATOM 0 H GLY A 586 3.604 -16.472 3.822 1.00 0.00 H new ATOM 0 HA2 GLY A 586 3.808 -14.244 3.373 1.00 0.00 H new ATOM 0 HA3 GLY A 586 2.142 -14.158 2.837 1.00 0.00 H new ATOM 596 N ARG A 587 1.380 -14.475 5.622 1.00 0.00 N ATOM 597 CA ARG A 587 0.821 -13.942 6.880 1.00 0.00 C ATOM 598 C ARG A 587 1.723 -14.307 8.068 1.00 0.00 C ATOM 599 O ARG A 587 2.351 -15.365 8.061 1.00 0.00 O ATOM 600 CB ARG A 587 -0.599 -14.531 7.098 1.00 0.00 C ATOM 601 CG ARG A 587 -1.593 -14.278 5.939 1.00 0.00 C ATOM 602 CD ARG A 587 -1.932 -12.791 5.741 1.00 0.00 C ATOM 603 NE ARG A 587 -2.775 -12.574 4.556 1.00 0.00 N ATOM 604 CZ ARG A 587 -3.199 -11.381 4.112 1.00 0.00 C ATOM 605 NH1 ARG A 587 -2.927 -10.262 4.775 1.00 0.00 N ATOM 606 NH2 ARG A 587 -3.894 -11.326 2.989 1.00 0.00 N ATOM 0 H ARG A 587 0.919 -15.327 5.303 1.00 0.00 H new ATOM 0 HA ARG A 587 0.764 -12.856 6.811 1.00 0.00 H new ATOM 0 HB2 ARG A 587 -0.511 -15.606 7.254 1.00 0.00 H new ATOM 0 HB3 ARG A 587 -1.015 -14.109 8.013 1.00 0.00 H new ATOM 0 HG2 ARG A 587 -1.171 -14.673 5.015 1.00 0.00 H new ATOM 0 HG3 ARG A 587 -2.513 -14.831 6.131 1.00 0.00 H new ATOM 0 HD2 ARG A 587 -2.446 -12.415 6.626 1.00 0.00 H new ATOM 0 HD3 ARG A 587 -1.010 -12.219 5.640 1.00 0.00 H new ATOM 0 HE ARG A 587 -3.061 -13.398 4.028 1.00 0.00 H new ATOM 0 HH11 ARG A 587 -2.386 -10.300 5.639 1.00 0.00 H new ATOM 0 HH12 ARG A 587 -3.259 -9.365 4.420 1.00 0.00 H new ATOM 0 HH21 ARG A 587 -4.100 -12.182 2.474 1.00 0.00 H new ATOM 0 HH22 ARG A 587 -4.224 -10.427 2.637 1.00 0.00 H new ATOM 620 N THR A 588 1.769 -13.421 9.080 1.00 0.00 N ATOM 621 CA THR A 588 2.519 -13.657 10.332 1.00 0.00 C ATOM 622 C THR A 588 1.601 -14.267 11.401 1.00 0.00 C ATOM 623 O THR A 588 0.384 -14.059 11.376 1.00 0.00 O ATOM 624 CB THR A 588 3.135 -12.329 10.877 1.00 0.00 C ATOM 625 OG1 THR A 588 2.088 -11.365 11.045 1.00 0.00 O ATOM 626 CG2 THR A 588 4.227 -11.767 9.944 1.00 0.00 C ATOM 0 H THR A 588 1.288 -12.522 9.055 1.00 0.00 H new ATOM 0 HA THR A 588 3.327 -14.353 10.107 1.00 0.00 H new ATOM 0 HB THR A 588 3.612 -12.543 11.834 1.00 0.00 H new ATOM 0 HG1 THR A 588 2.449 -10.463 10.915 1.00 0.00 H new ATOM 0 HG21 THR A 588 4.625 -10.844 10.365 1.00 0.00 H new ATOM 0 HG22 THR A 588 5.031 -12.496 9.844 1.00 0.00 H new ATOM 0 HG23 THR A 588 3.798 -11.563 8.963 1.00 0.00 H new ATOM 634 N LYS A 589 2.210 -14.996 12.345 1.00 0.00 N ATOM 635 CA LYS A 589 1.487 -15.773 13.376 1.00 0.00 C ATOM 636 C LYS A 589 0.783 -14.871 14.386 1.00 0.00 C ATOM 637 O LYS A 589 -0.290 -15.215 14.852 1.00 0.00 O ATOM 638 CB LYS A 589 2.458 -16.767 14.078 1.00 0.00 C ATOM 639 CG LYS A 589 2.741 -18.098 13.310 1.00 0.00 C ATOM 640 CD LYS A 589 3.007 -17.939 11.784 1.00 0.00 C ATOM 641 CE LYS A 589 1.723 -18.060 10.912 1.00 0.00 C ATOM 642 NZ LYS A 589 1.963 -17.644 9.508 1.00 0.00 N ATOM 0 H LYS A 589 3.225 -15.068 12.421 1.00 0.00 H new ATOM 0 HA LYS A 589 0.706 -16.346 12.877 1.00 0.00 H new ATOM 0 HB2 LYS A 589 3.407 -16.259 14.248 1.00 0.00 H new ATOM 0 HB3 LYS A 589 2.049 -17.015 15.057 1.00 0.00 H new ATOM 0 HG2 LYS A 589 3.604 -18.584 13.764 1.00 0.00 H new ATOM 0 HG3 LYS A 589 1.890 -18.766 13.447 1.00 0.00 H new ATOM 0 HD2 LYS A 589 3.469 -16.968 11.603 1.00 0.00 H new ATOM 0 HD3 LYS A 589 3.724 -18.697 11.468 1.00 0.00 H new ATOM 0 HE2 LYS A 589 1.369 -19.091 10.929 1.00 0.00 H new ATOM 0 HE3 LYS A 589 0.933 -17.444 11.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 589 1.307 -18.150 8.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 589 1.808 -16.620 9.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 589 2.942 -17.871 9.241 1.00 0.00 H new ATOM 656 N LYS A 590 1.390 -13.724 14.711 1.00 0.00 N ATOM 657 CA LYS A 590 0.773 -12.721 15.602 1.00 0.00 C ATOM 658 C LYS A 590 -0.486 -12.084 14.958 1.00 0.00 C ATOM 659 O LYS A 590 -1.449 -11.759 15.666 1.00 0.00 O ATOM 660 CB LYS A 590 1.828 -11.663 16.070 1.00 0.00 C ATOM 661 CG LYS A 590 2.860 -11.185 15.008 1.00 0.00 C ATOM 662 CD LYS A 590 2.340 -10.137 14.003 1.00 0.00 C ATOM 663 CE LYS A 590 2.046 -8.770 14.634 1.00 0.00 C ATOM 664 NZ LYS A 590 1.687 -7.766 13.604 1.00 0.00 N ATOM 0 H LYS A 590 2.315 -13.461 14.370 1.00 0.00 H new ATOM 0 HA LYS A 590 0.424 -13.229 16.501 1.00 0.00 H new ATOM 0 HB2 LYS A 590 1.292 -10.789 16.440 1.00 0.00 H new ATOM 0 HB3 LYS A 590 2.377 -12.081 16.914 1.00 0.00 H new ATOM 0 HG2 LYS A 590 3.723 -10.768 15.527 1.00 0.00 H new ATOM 0 HG3 LYS A 590 3.212 -12.054 14.451 1.00 0.00 H new ATOM 0 HD2 LYS A 590 3.077 -10.010 13.210 1.00 0.00 H new ATOM 0 HD3 LYS A 590 1.431 -10.515 13.536 1.00 0.00 H new ATOM 0 HE2 LYS A 590 1.230 -8.866 15.351 1.00 0.00 H new ATOM 0 HE3 LYS A 590 2.920 -8.428 15.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 590 1.050 -7.056 14.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 590 2.550 -7.298 13.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 590 1.210 -8.239 12.810 1.00 0.00 H new ATOM 678 N ASP A 591 -0.480 -11.919 13.611 1.00 0.00 N ATOM 679 CA ASP A 591 -1.677 -11.452 12.870 1.00 0.00 C ATOM 680 C ASP A 591 -2.694 -12.596 12.689 1.00 0.00 C ATOM 681 O ASP A 591 -3.892 -12.342 12.524 1.00 0.00 O ATOM 682 CB ASP A 591 -1.314 -10.824 11.490 1.00 0.00 C ATOM 683 CG ASP A 591 -0.822 -9.365 11.605 1.00 0.00 C ATOM 684 OD1 ASP A 591 -1.647 -8.479 11.925 1.00 0.00 O ATOM 685 OD2 ASP A 591 0.372 -9.098 11.377 1.00 0.00 O ATOM 0 H ASP A 591 0.332 -12.101 13.022 1.00 0.00 H new ATOM 0 HA ASP A 591 -2.133 -10.667 13.473 1.00 0.00 H new ATOM 0 HB2 ASP A 591 -0.540 -11.427 11.014 1.00 0.00 H new ATOM 0 HB3 ASP A 591 -2.188 -10.857 10.840 1.00 0.00 H new ATOM 690 N CYS A 592 -2.201 -13.852 12.707 1.00 0.00 N ATOM 691 CA CYS A 592 -3.056 -15.061 12.666 1.00 0.00 C ATOM 692 C CYS A 592 -3.767 -15.265 14.024 1.00 0.00 C ATOM 693 O CYS A 592 -4.896 -15.750 14.070 1.00 0.00 O ATOM 694 CB CYS A 592 -2.216 -16.314 12.306 1.00 0.00 C ATOM 695 SG CYS A 592 -1.377 -16.223 10.710 1.00 0.00 S ATOM 0 H CYS A 592 -1.203 -14.058 12.750 1.00 0.00 H new ATOM 0 HA CYS A 592 -3.812 -14.919 11.893 1.00 0.00 H new ATOM 0 HB2 CYS A 592 -1.470 -16.472 13.085 1.00 0.00 H new ATOM 0 HB3 CYS A 592 -2.869 -17.186 12.309 1.00 0.00 H new ATOM 0 HG CYS A 592 -0.547 -15.223 10.713 1.00 0.00 H new ATOM 701 N MET A 593 -3.070 -14.883 15.120 1.00 0.00 N ATOM 702 CA MET A 593 -3.604 -14.932 16.505 1.00 0.00 C ATOM 703 C MET A 593 -4.638 -13.817 16.700 1.00 0.00 C ATOM 704 O MET A 593 -5.661 -14.022 17.357 1.00 0.00 O ATOM 705 CB MET A 593 -2.452 -14.782 17.547 1.00 0.00 C ATOM 706 CG MET A 593 -1.464 -15.956 17.601 1.00 0.00 C ATOM 707 SD MET A 593 -0.021 -15.588 18.630 1.00 0.00 S ATOM 708 CE MET A 593 1.124 -16.882 18.150 1.00 0.00 C ATOM 0 H MET A 593 -2.115 -14.529 15.069 1.00 0.00 H new ATOM 0 HA MET A 593 -4.082 -15.899 16.660 1.00 0.00 H new ATOM 0 HB2 MET A 593 -1.897 -13.871 17.323 1.00 0.00 H new ATOM 0 HB3 MET A 593 -2.892 -14.652 18.536 1.00 0.00 H new ATOM 0 HG2 MET A 593 -1.971 -16.838 17.992 1.00 0.00 H new ATOM 0 HG3 MET A 593 -1.135 -16.199 16.591 1.00 0.00 H new ATOM 0 HE1 MET A 593 2.147 -16.519 18.251 1.00 0.00 H new ATOM 0 HE2 MET A 593 0.982 -17.750 18.794 1.00 0.00 H new ATOM 0 HE3 MET A 593 0.940 -17.165 17.114 1.00 0.00 H new ATOM 718 N LYS A 594 -4.338 -12.633 16.119 1.00 0.00 N ATOM 719 CA LYS A 594 -5.273 -11.491 16.093 1.00 0.00 C ATOM 720 C LYS A 594 -6.559 -11.892 15.370 1.00 0.00 C ATOM 721 O LYS A 594 -7.654 -11.685 15.884 1.00 0.00 O ATOM 722 CB LYS A 594 -4.667 -10.238 15.384 1.00 0.00 C ATOM 723 CG LYS A 594 -5.658 -9.041 15.275 1.00 0.00 C ATOM 724 CD LYS A 594 -5.121 -7.828 14.473 1.00 0.00 C ATOM 725 CE LYS A 594 -3.935 -7.128 15.153 1.00 0.00 C ATOM 726 NZ LYS A 594 -3.605 -5.834 14.508 1.00 0.00 N ATOM 0 H LYS A 594 -3.447 -12.446 15.659 1.00 0.00 H new ATOM 0 HA LYS A 594 -5.478 -11.224 17.130 1.00 0.00 H new ATOM 0 HB2 LYS A 594 -3.780 -9.916 15.930 1.00 0.00 H new ATOM 0 HB3 LYS A 594 -4.340 -10.520 14.383 1.00 0.00 H new ATOM 0 HG2 LYS A 594 -6.578 -9.390 14.807 1.00 0.00 H new ATOM 0 HG3 LYS A 594 -5.918 -8.709 16.280 1.00 0.00 H new ATOM 0 HD2 LYS A 594 -4.817 -8.163 13.481 1.00 0.00 H new ATOM 0 HD3 LYS A 594 -5.927 -7.108 14.333 1.00 0.00 H new ATOM 0 HE2 LYS A 594 -4.169 -6.959 16.204 1.00 0.00 H new ATOM 0 HE3 LYS A 594 -3.063 -7.781 15.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 594 -2.799 -5.397 14.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 594 -3.356 -5.996 13.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 594 -4.428 -5.200 14.561 1.00 0.00 H new ATOM 740 N ARG A 595 -6.399 -12.492 14.174 1.00 0.00 N ATOM 741 CA ARG A 595 -7.535 -12.800 13.303 1.00 0.00 C ATOM 742 C ARG A 595 -8.395 -13.922 13.901 1.00 0.00 C ATOM 743 O ARG A 595 -9.612 -13.822 13.896 1.00 0.00 O ATOM 744 CB ARG A 595 -7.088 -13.161 11.861 1.00 0.00 C ATOM 745 CG ARG A 595 -8.262 -13.159 10.850 1.00 0.00 C ATOM 746 CD ARG A 595 -8.931 -11.770 10.755 1.00 0.00 C ATOM 747 NE ARG A 595 -10.212 -11.798 10.035 1.00 0.00 N ATOM 748 CZ ARG A 595 -11.247 -10.971 10.267 1.00 0.00 C ATOM 749 NH1 ARG A 595 -11.153 -10.001 11.171 1.00 0.00 N ATOM 750 NH2 ARG A 595 -12.366 -11.117 9.576 1.00 0.00 N ATOM 0 H ARG A 595 -5.493 -12.770 13.796 1.00 0.00 H new ATOM 0 HA ARG A 595 -8.140 -11.896 13.236 1.00 0.00 H new ATOM 0 HB2 ARG A 595 -6.330 -12.450 11.532 1.00 0.00 H new ATOM 0 HB3 ARG A 595 -6.621 -14.146 11.866 1.00 0.00 H new ATOM 0 HG2 ARG A 595 -7.896 -13.455 9.867 1.00 0.00 H new ATOM 0 HG3 ARG A 595 -9.003 -13.900 11.151 1.00 0.00 H new ATOM 0 HD2 ARG A 595 -9.094 -11.382 11.760 1.00 0.00 H new ATOM 0 HD3 ARG A 595 -8.253 -11.080 10.253 1.00 0.00 H new ATOM 0 HE ARG A 595 -10.325 -12.499 9.303 1.00 0.00 H new ATOM 0 HH11 ARG A 595 -10.289 -9.877 11.698 1.00 0.00 H new ATOM 0 HH12 ARG A 595 -11.945 -9.380 11.337 1.00 0.00 H new ATOM 0 HH21 ARG A 595 -12.439 -11.853 8.873 1.00 0.00 H new ATOM 0 HH22 ARG A 595 -13.155 -10.494 9.746 1.00 0.00 H new ATOM 764 N TYR A 596 -7.739 -14.976 14.428 1.00 0.00 N ATOM 765 CA TYR A 596 -8.414 -16.090 15.139 1.00 0.00 C ATOM 766 C TYR A 596 -9.219 -15.564 16.333 1.00 0.00 C ATOM 767 O TYR A 596 -10.342 -16.028 16.577 1.00 0.00 O ATOM 768 CB TYR A 596 -7.372 -17.160 15.580 1.00 0.00 C ATOM 769 CG TYR A 596 -7.830 -18.140 16.680 1.00 0.00 C ATOM 770 CD1 TYR A 596 -8.907 -19.010 16.483 1.00 0.00 C ATOM 771 CD2 TYR A 596 -7.194 -18.181 17.932 1.00 0.00 C ATOM 772 CE1 TYR A 596 -9.326 -19.879 17.475 1.00 0.00 C ATOM 773 CE2 TYR A 596 -7.613 -19.048 18.927 1.00 0.00 C ATOM 774 CZ TYR A 596 -8.679 -19.893 18.696 1.00 0.00 C ATOM 775 OH TYR A 596 -9.103 -20.755 19.688 1.00 0.00 O ATOM 0 H TYR A 596 -6.726 -15.082 14.375 1.00 0.00 H new ATOM 0 HA TYR A 596 -9.116 -16.567 14.455 1.00 0.00 H new ATOM 0 HB2 TYR A 596 -7.083 -17.739 14.703 1.00 0.00 H new ATOM 0 HB3 TYR A 596 -6.478 -16.644 15.930 1.00 0.00 H new ATOM 0 HD1 TYR A 596 -9.424 -19.004 15.535 1.00 0.00 H new ATOM 0 HD2 TYR A 596 -6.360 -17.522 18.123 1.00 0.00 H new ATOM 0 HE1 TYR A 596 -10.157 -20.545 17.295 1.00 0.00 H new ATOM 0 HE2 TYR A 596 -7.107 -19.063 19.881 1.00 0.00 H new ATOM 0 HH TYR A 596 -8.542 -20.640 20.483 1.00 0.00 H new ATOM 785 N LYS A 597 -8.634 -14.598 17.066 1.00 0.00 N ATOM 786 CA LYS A 597 -9.331 -13.906 18.159 1.00 0.00 C ATOM 787 C LYS A 597 -10.605 -13.232 17.624 1.00 0.00 C ATOM 788 O LYS A 597 -11.687 -13.485 18.127 1.00 0.00 O ATOM 789 CB LYS A 597 -8.401 -12.879 18.877 1.00 0.00 C ATOM 790 CG LYS A 597 -9.141 -11.882 19.812 1.00 0.00 C ATOM 791 CD LYS A 597 -8.212 -11.192 20.837 1.00 0.00 C ATOM 792 CE LYS A 597 -7.653 -12.184 21.879 1.00 0.00 C ATOM 793 NZ LYS A 597 -6.913 -11.510 22.972 1.00 0.00 N ATOM 0 H LYS A 597 -7.676 -14.280 16.918 1.00 0.00 H new ATOM 0 HA LYS A 597 -9.617 -14.646 18.906 1.00 0.00 H new ATOM 0 HB2 LYS A 597 -7.661 -13.425 19.462 1.00 0.00 H new ATOM 0 HB3 LYS A 597 -7.855 -12.313 18.122 1.00 0.00 H new ATOM 0 HG2 LYS A 597 -9.628 -11.119 19.204 1.00 0.00 H new ATOM 0 HG3 LYS A 597 -9.928 -12.414 20.347 1.00 0.00 H new ATOM 0 HD2 LYS A 597 -7.385 -10.716 20.311 1.00 0.00 H new ATOM 0 HD3 LYS A 597 -8.762 -10.402 21.349 1.00 0.00 H new ATOM 0 HE2 LYS A 597 -8.475 -12.760 22.304 1.00 0.00 H new ATOM 0 HE3 LYS A 597 -6.991 -12.893 21.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 597 -6.560 -12.222 23.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 597 -6.111 -10.982 22.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 597 -7.549 -10.853 23.468 1.00 0.00 H new ATOM 807 N GLU A 598 -10.464 -12.434 16.551 1.00 0.00 N ATOM 808 CA GLU A 598 -11.591 -11.705 15.933 1.00 0.00 C ATOM 809 C GLU A 598 -12.710 -12.681 15.494 1.00 0.00 C ATOM 810 O GLU A 598 -13.880 -12.420 15.743 1.00 0.00 O ATOM 811 CB GLU A 598 -11.104 -10.862 14.717 1.00 0.00 C ATOM 812 CG GLU A 598 -10.109 -9.742 15.075 1.00 0.00 C ATOM 813 CD GLU A 598 -9.605 -8.967 13.845 1.00 0.00 C ATOM 814 OE1 GLU A 598 -8.632 -9.414 13.199 1.00 0.00 O ATOM 815 OE2 GLU A 598 -10.204 -7.922 13.499 1.00 0.00 O ATOM 0 H GLU A 598 -9.569 -12.275 16.087 1.00 0.00 H new ATOM 0 HA GLU A 598 -12.001 -11.028 16.683 1.00 0.00 H new ATOM 0 HB2 GLU A 598 -10.636 -11.529 13.993 1.00 0.00 H new ATOM 0 HB3 GLU A 598 -11.971 -10.418 14.228 1.00 0.00 H new ATOM 0 HG2 GLU A 598 -10.587 -9.046 15.765 1.00 0.00 H new ATOM 0 HG3 GLU A 598 -9.257 -10.175 15.599 1.00 0.00 H new ATOM 822 N LEU A 599 -12.314 -13.832 14.897 1.00 0.00 N ATOM 823 CA LEU A 599 -13.255 -14.866 14.396 1.00 0.00 C ATOM 824 C LEU A 599 -14.111 -15.430 15.543 1.00 0.00 C ATOM 825 O LEU A 599 -15.350 -15.444 15.465 1.00 0.00 O ATOM 826 CB LEU A 599 -12.486 -16.028 13.688 1.00 0.00 C ATOM 827 CG LEU A 599 -11.659 -15.647 12.416 1.00 0.00 C ATOM 828 CD1 LEU A 599 -10.870 -16.856 11.870 1.00 0.00 C ATOM 829 CD2 LEU A 599 -12.545 -15.015 11.321 1.00 0.00 C ATOM 0 H LEU A 599 -11.333 -14.070 14.749 1.00 0.00 H new ATOM 0 HA LEU A 599 -13.912 -14.388 13.669 1.00 0.00 H new ATOM 0 HB2 LEU A 599 -11.808 -16.479 14.413 1.00 0.00 H new ATOM 0 HB3 LEU A 599 -13.209 -16.794 13.408 1.00 0.00 H new ATOM 0 HG LEU A 599 -10.935 -14.891 12.722 1.00 0.00 H new ATOM 0 HD11 LEU A 599 -10.307 -16.554 10.987 1.00 0.00 H new ATOM 0 HD12 LEU A 599 -10.181 -17.216 12.634 1.00 0.00 H new ATOM 0 HD13 LEU A 599 -11.564 -17.653 11.603 1.00 0.00 H new ATOM 0 HD21 LEU A 599 -11.931 -14.765 10.455 1.00 0.00 H new ATOM 0 HD22 LEU A 599 -13.319 -15.723 11.025 1.00 0.00 H new ATOM 0 HD23 LEU A 599 -13.012 -14.109 11.708 1.00 0.00 H new ATOM 841 N VAL A 600 -13.430 -15.850 16.627 1.00 0.00 N ATOM 842 CA VAL A 600 -14.085 -16.511 17.765 1.00 0.00 C ATOM 843 C VAL A 600 -14.901 -15.497 18.606 1.00 0.00 C ATOM 844 O VAL A 600 -15.957 -15.851 19.122 1.00 0.00 O ATOM 845 CB VAL A 600 -13.054 -17.325 18.652 1.00 0.00 C ATOM 846 CG1 VAL A 600 -12.054 -16.409 19.395 1.00 0.00 C ATOM 847 CG2 VAL A 600 -13.779 -18.277 19.639 1.00 0.00 C ATOM 0 H VAL A 600 -12.422 -15.741 16.735 1.00 0.00 H new ATOM 0 HA VAL A 600 -14.788 -17.239 17.360 1.00 0.00 H new ATOM 0 HB VAL A 600 -12.471 -17.935 17.962 1.00 0.00 H new ATOM 0 HG11 VAL A 600 -11.372 -17.019 19.987 1.00 0.00 H new ATOM 0 HG12 VAL A 600 -11.485 -15.828 18.670 1.00 0.00 H new ATOM 0 HG13 VAL A 600 -12.600 -15.733 20.053 1.00 0.00 H new ATOM 0 HG21 VAL A 600 -13.041 -18.819 20.231 1.00 0.00 H new ATOM 0 HG22 VAL A 600 -14.419 -17.695 20.302 1.00 0.00 H new ATOM 0 HG23 VAL A 600 -14.387 -18.987 19.079 1.00 0.00 H new ATOM 857 N GLU A 601 -14.441 -14.226 18.690 1.00 0.00 N ATOM 858 CA GLU A 601 -15.166 -13.171 19.439 1.00 0.00 C ATOM 859 C GLU A 601 -16.482 -12.814 18.728 1.00 0.00 C ATOM 860 O GLU A 601 -17.514 -12.698 19.380 1.00 0.00 O ATOM 861 CB GLU A 601 -14.316 -11.883 19.646 1.00 0.00 C ATOM 862 CG GLU A 601 -13.031 -12.058 20.490 1.00 0.00 C ATOM 863 CD GLU A 601 -13.242 -12.783 21.832 1.00 0.00 C ATOM 864 OE1 GLU A 601 -13.725 -12.150 22.793 1.00 0.00 O ATOM 865 OE2 GLU A 601 -12.916 -13.987 21.926 1.00 0.00 O ATOM 0 H GLU A 601 -13.577 -13.907 18.252 1.00 0.00 H new ATOM 0 HA GLU A 601 -15.378 -13.583 20.426 1.00 0.00 H new ATOM 0 HB2 GLU A 601 -14.036 -11.493 18.667 1.00 0.00 H new ATOM 0 HB3 GLU A 601 -14.942 -11.129 20.123 1.00 0.00 H new ATOM 0 HG2 GLU A 601 -12.299 -12.613 19.903 1.00 0.00 H new ATOM 0 HG3 GLU A 601 -12.604 -11.075 20.686 1.00 0.00 H new ATOM 872 N MET A 602 -16.432 -12.673 17.384 1.00 0.00 N ATOM 873 CA MET A 602 -17.612 -12.313 16.563 1.00 0.00 C ATOM 874 C MET A 602 -18.728 -13.363 16.691 1.00 0.00 C ATOM 875 O MET A 602 -19.891 -13.006 16.915 1.00 0.00 O ATOM 876 CB MET A 602 -17.232 -12.128 15.065 1.00 0.00 C ATOM 877 CG MET A 602 -16.386 -10.884 14.754 1.00 0.00 C ATOM 878 SD MET A 602 -16.066 -10.672 12.983 1.00 0.00 S ATOM 879 CE MET A 602 -15.186 -12.183 12.567 1.00 0.00 C ATOM 0 H MET A 602 -15.579 -12.804 16.840 1.00 0.00 H new ATOM 0 HA MET A 602 -17.983 -11.362 16.946 1.00 0.00 H new ATOM 0 HB2 MET A 602 -16.686 -13.011 14.733 1.00 0.00 H new ATOM 0 HB3 MET A 602 -18.149 -12.081 14.477 1.00 0.00 H new ATOM 0 HG2 MET A 602 -16.897 -9.999 15.134 1.00 0.00 H new ATOM 0 HG3 MET A 602 -15.436 -10.955 15.284 1.00 0.00 H new ATOM 0 HE1 MET A 602 -14.886 -12.153 11.520 1.00 0.00 H new ATOM 0 HE2 MET A 602 -14.300 -12.273 13.196 1.00 0.00 H new ATOM 0 HE3 MET A 602 -15.838 -13.041 12.733 1.00 0.00 H new ATOM 889 N VAL A 603 -18.360 -14.660 16.566 1.00 0.00 N ATOM 890 CA VAL A 603 -19.346 -15.753 16.633 1.00 0.00 C ATOM 891 C VAL A 603 -19.948 -15.869 18.053 1.00 0.00 C ATOM 892 O VAL A 603 -21.164 -15.955 18.182 1.00 0.00 O ATOM 893 CB VAL A 603 -18.778 -17.145 16.133 1.00 0.00 C ATOM 894 CG1 VAL A 603 -18.295 -17.046 14.662 1.00 0.00 C ATOM 895 CG2 VAL A 603 -17.660 -17.701 17.050 1.00 0.00 C ATOM 0 H VAL A 603 -17.399 -14.968 16.420 1.00 0.00 H new ATOM 0 HA VAL A 603 -20.143 -15.489 15.938 1.00 0.00 H new ATOM 0 HB VAL A 603 -19.602 -17.857 16.183 1.00 0.00 H new ATOM 0 HG11 VAL A 603 -17.909 -18.013 14.340 1.00 0.00 H new ATOM 0 HG12 VAL A 603 -19.130 -16.758 14.024 1.00 0.00 H new ATOM 0 HG13 VAL A 603 -17.506 -16.298 14.588 1.00 0.00 H new ATOM 0 HG21 VAL A 603 -17.309 -18.656 16.658 1.00 0.00 H new ATOM 0 HG22 VAL A 603 -16.830 -16.995 17.081 1.00 0.00 H new ATOM 0 HG23 VAL A 603 -18.053 -17.844 18.057 1.00 0.00 H new ATOM 905 N LYS A 604 -19.103 -15.796 19.113 1.00 0.00 N ATOM 906 CA LYS A 604 -19.572 -15.913 20.520 1.00 0.00 C ATOM 907 C LYS A 604 -20.483 -14.737 20.900 1.00 0.00 C ATOM 908 O LYS A 604 -21.496 -14.929 21.562 1.00 0.00 O ATOM 909 CB LYS A 604 -18.383 -15.984 21.521 1.00 0.00 C ATOM 910 CG LYS A 604 -17.542 -17.279 21.461 1.00 0.00 C ATOM 911 CD LYS A 604 -16.397 -17.290 22.509 1.00 0.00 C ATOM 912 CE LYS A 604 -15.435 -16.093 22.362 1.00 0.00 C ATOM 913 NZ LYS A 604 -14.352 -16.105 23.372 1.00 0.00 N ATOM 0 H LYS A 604 -18.097 -15.657 19.022 1.00 0.00 H new ATOM 0 HA LYS A 604 -20.138 -16.843 20.584 1.00 0.00 H new ATOM 0 HB2 LYS A 604 -17.725 -15.135 21.338 1.00 0.00 H new ATOM 0 HB3 LYS A 604 -18.774 -15.872 22.532 1.00 0.00 H new ATOM 0 HG2 LYS A 604 -18.191 -18.139 21.627 1.00 0.00 H new ATOM 0 HG3 LYS A 604 -17.118 -17.388 20.463 1.00 0.00 H new ATOM 0 HD2 LYS A 604 -16.828 -17.282 23.510 1.00 0.00 H new ATOM 0 HD3 LYS A 604 -15.832 -18.217 22.412 1.00 0.00 H new ATOM 0 HE2 LYS A 604 -14.996 -16.105 21.364 1.00 0.00 H new ATOM 0 HE3 LYS A 604 -16.000 -15.165 22.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 604 -13.626 -15.408 23.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 604 -14.744 -15.864 24.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 604 -13.924 -17.052 23.411 1.00 0.00 H new ATOM 927 N ALA A 605 -20.105 -13.527 20.455 1.00 0.00 N ATOM 928 CA ALA A 605 -20.840 -12.280 20.761 1.00 0.00 C ATOM 929 C ALA A 605 -22.198 -12.251 20.047 1.00 0.00 C ATOM 930 O ALA A 605 -23.153 -11.682 20.560 1.00 0.00 O ATOM 931 CB ALA A 605 -20.007 -11.048 20.381 1.00 0.00 C ATOM 0 H ALA A 605 -19.281 -13.382 19.872 1.00 0.00 H new ATOM 0 HA ALA A 605 -21.021 -12.255 21.836 1.00 0.00 H new ATOM 0 HB1 ALA A 605 -20.568 -10.143 20.615 1.00 0.00 H new ATOM 0 HB2 ALA A 605 -19.074 -11.052 20.944 1.00 0.00 H new ATOM 0 HB3 ALA A 605 -19.787 -11.073 19.314 1.00 0.00 H new ATOM 937 N LYS A 606 -22.259 -12.876 18.858 1.00 0.00 N ATOM 938 CA LYS A 606 -23.498 -13.006 18.070 1.00 0.00 C ATOM 939 C LYS A 606 -24.462 -13.996 18.753 1.00 0.00 C ATOM 940 O LYS A 606 -25.661 -13.724 18.889 1.00 0.00 O ATOM 941 CB LYS A 606 -23.157 -13.467 16.628 1.00 0.00 C ATOM 942 CG LYS A 606 -24.374 -13.655 15.685 1.00 0.00 C ATOM 943 CD LYS A 606 -23.951 -13.918 14.217 1.00 0.00 C ATOM 944 CE LYS A 606 -23.196 -12.723 13.601 1.00 0.00 C ATOM 945 NZ LYS A 606 -22.797 -12.977 12.198 1.00 0.00 N ATOM 0 H LYS A 606 -21.448 -13.307 18.415 1.00 0.00 H new ATOM 0 HA LYS A 606 -23.993 -12.037 18.015 1.00 0.00 H new ATOM 0 HB2 LYS A 606 -22.482 -12.737 16.181 1.00 0.00 H new ATOM 0 HB3 LYS A 606 -22.614 -14.410 16.685 1.00 0.00 H new ATOM 0 HG2 LYS A 606 -24.980 -14.489 16.040 1.00 0.00 H new ATOM 0 HG3 LYS A 606 -25.002 -12.765 15.725 1.00 0.00 H new ATOM 0 HD2 LYS A 606 -23.318 -14.804 14.177 1.00 0.00 H new ATOM 0 HD3 LYS A 606 -24.837 -14.132 13.619 1.00 0.00 H new ATOM 0 HE2 LYS A 606 -23.828 -11.836 13.642 1.00 0.00 H new ATOM 0 HE3 LYS A 606 -22.308 -12.510 14.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 606 -22.293 -12.147 11.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 606 -22.173 -13.808 12.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 606 -23.645 -13.154 11.623 1.00 0.00 H new ATOM 959 N LYS A 607 -23.898 -15.139 19.194 1.00 0.00 N ATOM 960 CA LYS A 607 -24.647 -16.205 19.890 1.00 0.00 C ATOM 961 C LYS A 607 -25.173 -15.704 21.238 1.00 0.00 C ATOM 962 O LYS A 607 -26.290 -16.020 21.604 1.00 0.00 O ATOM 963 CB LYS A 607 -23.746 -17.451 20.106 1.00 0.00 C ATOM 964 CG LYS A 607 -23.256 -18.106 18.796 1.00 0.00 C ATOM 965 CD LYS A 607 -22.140 -19.149 19.032 1.00 0.00 C ATOM 966 CE LYS A 607 -21.511 -19.656 17.721 1.00 0.00 C ATOM 967 NZ LYS A 607 -22.524 -20.239 16.798 1.00 0.00 N ATOM 0 H LYS A 607 -22.907 -15.349 19.077 1.00 0.00 H new ATOM 0 HA LYS A 607 -25.495 -16.486 19.265 1.00 0.00 H new ATOM 0 HB2 LYS A 607 -22.880 -17.162 20.702 1.00 0.00 H new ATOM 0 HB3 LYS A 607 -24.299 -18.190 20.685 1.00 0.00 H new ATOM 0 HG2 LYS A 607 -24.098 -18.587 18.298 1.00 0.00 H new ATOM 0 HG3 LYS A 607 -22.888 -17.332 18.123 1.00 0.00 H new ATOM 0 HD2 LYS A 607 -21.363 -18.708 19.656 1.00 0.00 H new ATOM 0 HD3 LYS A 607 -22.550 -19.995 19.584 1.00 0.00 H new ATOM 0 HE2 LYS A 607 -21.000 -18.832 17.223 1.00 0.00 H new ATOM 0 HE3 LYS A 607 -20.755 -20.408 17.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 607 -22.048 -20.613 15.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 607 -23.030 -21.010 17.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 607 -23.202 -19.502 16.517 1.00 0.00 H new ATOM 981 N ALA A 608 -24.349 -14.905 21.946 1.00 0.00 N ATOM 982 CA ALA A 608 -24.666 -14.369 23.288 1.00 0.00 C ATOM 983 C ALA A 608 -25.674 -13.217 23.191 1.00 0.00 C ATOM 984 O ALA A 608 -26.553 -13.073 24.052 1.00 0.00 O ATOM 985 CB ALA A 608 -23.379 -13.914 24.007 1.00 0.00 C ATOM 0 H ALA A 608 -23.436 -14.610 21.600 1.00 0.00 H new ATOM 0 HA ALA A 608 -25.122 -15.166 23.876 1.00 0.00 H new ATOM 0 HB1 ALA A 608 -23.632 -13.523 24.992 1.00 0.00 H new ATOM 0 HB2 ALA A 608 -22.704 -14.763 24.116 1.00 0.00 H new ATOM 0 HB3 ALA A 608 -22.891 -13.135 23.421 1.00 0.00 H new ATOM 991 N ALA A 609 -25.541 -12.403 22.122 1.00 0.00 N ATOM 992 CA ALA A 609 -26.478 -11.297 21.832 1.00 0.00 C ATOM 993 C ALA A 609 -27.875 -11.849 21.536 1.00 0.00 C ATOM 994 O ALA A 609 -28.881 -11.234 21.890 1.00 0.00 O ATOM 995 CB ALA A 609 -25.983 -10.446 20.655 1.00 0.00 C ATOM 0 H ALA A 609 -24.787 -12.493 21.441 1.00 0.00 H new ATOM 0 HA ALA A 609 -26.529 -10.658 22.713 1.00 0.00 H new ATOM 0 HB1 ALA A 609 -26.692 -9.640 20.465 1.00 0.00 H new ATOM 0 HB2 ALA A 609 -25.009 -10.022 20.897 1.00 0.00 H new ATOM 0 HB3 ALA A 609 -25.896 -11.070 19.766 1.00 0.00 H new ATOM 1001 N GLN A 610 -27.913 -13.015 20.874 1.00 0.00 N ATOM 1002 CA GLN A 610 -29.163 -13.723 20.572 1.00 0.00 C ATOM 1003 C GLN A 610 -29.646 -14.528 21.799 1.00 0.00 C ATOM 1004 O GLN A 610 -30.841 -14.613 22.035 1.00 0.00 O ATOM 1005 CB GLN A 610 -28.976 -14.643 19.332 1.00 0.00 C ATOM 1006 CG GLN A 610 -30.263 -15.361 18.864 1.00 0.00 C ATOM 1007 CD GLN A 610 -30.120 -16.118 17.538 1.00 0.00 C ATOM 1008 OE1 GLN A 610 -29.041 -16.601 17.186 1.00 0.00 O ATOM 1009 NE2 GLN A 610 -31.220 -16.236 16.803 1.00 0.00 N ATOM 0 H GLN A 610 -27.078 -13.492 20.534 1.00 0.00 H new ATOM 0 HA GLN A 610 -29.932 -12.988 20.336 1.00 0.00 H new ATOM 0 HB2 GLN A 610 -28.589 -14.045 18.507 1.00 0.00 H new ATOM 0 HB3 GLN A 610 -28.220 -15.394 19.563 1.00 0.00 H new ATOM 0 HG2 GLN A 610 -30.574 -16.063 19.637 1.00 0.00 H new ATOM 0 HG3 GLN A 610 -31.060 -14.624 18.763 1.00 0.00 H new ATOM 0 HE21 GLN A 610 -32.095 -15.824 17.125 1.00 0.00 H new ATOM 0 HE22 GLN A 610 -31.189 -16.739 15.916 1.00 0.00 H new ATOM 1018 N GLU A 611 -28.696 -15.063 22.592 1.00 0.00 N ATOM 1019 CA GLU A 611 -28.981 -15.959 23.748 1.00 0.00 C ATOM 1020 C GLU A 611 -29.749 -15.215 24.855 1.00 0.00 C ATOM 1021 O GLU A 611 -30.729 -15.734 25.391 1.00 0.00 O ATOM 1022 CB GLU A 611 -27.649 -16.517 24.326 1.00 0.00 C ATOM 1023 CG GLU A 611 -27.789 -17.595 25.420 1.00 0.00 C ATOM 1024 CD GLU A 611 -28.373 -18.928 24.907 1.00 0.00 C ATOM 1025 OE1 GLU A 611 -27.655 -19.657 24.188 1.00 0.00 O ATOM 1026 OE2 GLU A 611 -29.538 -19.253 25.234 1.00 0.00 O ATOM 0 H GLU A 611 -27.701 -14.889 22.454 1.00 0.00 H new ATOM 0 HA GLU A 611 -29.602 -16.781 23.391 1.00 0.00 H new ATOM 0 HB2 GLU A 611 -27.065 -16.934 23.505 1.00 0.00 H new ATOM 0 HB3 GLU A 611 -27.076 -15.685 24.734 1.00 0.00 H new ATOM 0 HG2 GLU A 611 -26.809 -17.783 25.860 1.00 0.00 H new ATOM 0 HG3 GLU A 611 -28.427 -17.211 26.216 1.00 0.00 H new ATOM 1033 N GLN A 612 -29.281 -13.992 25.171 1.00 0.00 N ATOM 1034 CA GLN A 612 -29.865 -13.149 26.239 1.00 0.00 C ATOM 1035 C GLN A 612 -31.317 -12.743 25.897 1.00 0.00 C ATOM 1036 O GLN A 612 -32.195 -12.717 26.772 1.00 0.00 O ATOM 1037 CB GLN A 612 -28.984 -11.888 26.487 1.00 0.00 C ATOM 1038 CG GLN A 612 -28.848 -10.930 25.274 1.00 0.00 C ATOM 1039 CD GLN A 612 -28.128 -9.612 25.582 1.00 0.00 C ATOM 1040 OE1 GLN A 612 -27.495 -9.026 24.580 1.00 0.00 O flip ATOM 1041 NE2 GLN A 612 -28.175 -9.101 26.701 1.00 0.00 N flip ATOM 0 H GLN A 612 -28.489 -13.559 24.696 1.00 0.00 H new ATOM 0 HA GLN A 612 -29.889 -13.737 27.156 1.00 0.00 H new ATOM 0 HB2 GLN A 612 -29.403 -11.331 27.325 1.00 0.00 H new ATOM 0 HB3 GLN A 612 -27.988 -12.213 26.787 1.00 0.00 H new ATOM 0 HG2 GLN A 612 -28.310 -11.446 24.478 1.00 0.00 H new ATOM 0 HG3 GLN A 612 -29.844 -10.705 24.892 1.00 0.00 H new ATOM 0 HE21 GLN A 612 -28.670 -9.574 27.457 1.00 0.00 H new ATOM 0 HE22 GLN A 612 -27.719 -8.205 26.872 1.00 0.00 H new ATOM 1050 N VAL A 613 -31.543 -12.439 24.605 1.00 0.00 N ATOM 1051 CA VAL A 613 -32.853 -12.027 24.080 1.00 0.00 C ATOM 1052 C VAL A 613 -33.791 -13.239 24.044 1.00 0.00 C ATOM 1053 O VAL A 613 -34.915 -13.167 24.514 1.00 0.00 O ATOM 1054 CB VAL A 613 -32.716 -11.402 22.643 1.00 0.00 C ATOM 1055 CG1 VAL A 613 -34.095 -11.002 22.058 1.00 0.00 C ATOM 1056 CG2 VAL A 613 -31.753 -10.191 22.654 1.00 0.00 C ATOM 0 H VAL A 613 -30.814 -12.474 23.893 1.00 0.00 H new ATOM 0 HA VAL A 613 -33.268 -11.263 24.738 1.00 0.00 H new ATOM 0 HB VAL A 613 -32.293 -12.170 21.995 1.00 0.00 H new ATOM 0 HG11 VAL A 613 -33.959 -10.574 21.065 1.00 0.00 H new ATOM 0 HG12 VAL A 613 -34.731 -11.885 21.989 1.00 0.00 H new ATOM 0 HG13 VAL A 613 -34.566 -10.265 22.709 1.00 0.00 H new ATOM 0 HG21 VAL A 613 -31.676 -9.778 21.648 1.00 0.00 H new ATOM 0 HG22 VAL A 613 -32.136 -9.428 23.332 1.00 0.00 H new ATOM 0 HG23 VAL A 613 -30.767 -10.513 22.990 1.00 0.00 H new ATOM 1066 N LEU A 614 -33.257 -14.361 23.527 1.00 0.00 N ATOM 1067 CA LEU A 614 -33.989 -15.633 23.342 1.00 0.00 C ATOM 1068 C LEU A 614 -34.490 -16.149 24.696 1.00 0.00 C ATOM 1069 O LEU A 614 -35.592 -16.647 24.798 1.00 0.00 O ATOM 1070 CB LEU A 614 -33.061 -16.685 22.655 1.00 0.00 C ATOM 1071 CG LEU A 614 -33.706 -18.044 22.226 1.00 0.00 C ATOM 1072 CD1 LEU A 614 -34.842 -17.835 21.203 1.00 0.00 C ATOM 1073 CD2 LEU A 614 -32.631 -19.013 21.672 1.00 0.00 C ATOM 0 H LEU A 614 -32.286 -14.412 23.219 1.00 0.00 H new ATOM 0 HA LEU A 614 -34.852 -15.463 22.698 1.00 0.00 H new ATOM 0 HB2 LEU A 614 -32.628 -16.223 21.768 1.00 0.00 H new ATOM 0 HB3 LEU A 614 -32.238 -16.903 23.335 1.00 0.00 H new ATOM 0 HG LEU A 614 -34.146 -18.495 23.115 1.00 0.00 H new ATOM 0 HD11 LEU A 614 -35.266 -18.801 20.928 1.00 0.00 H new ATOM 0 HD12 LEU A 614 -35.618 -17.210 21.644 1.00 0.00 H new ATOM 0 HD13 LEU A 614 -34.445 -17.347 20.313 1.00 0.00 H new ATOM 0 HD21 LEU A 614 -33.103 -19.951 21.380 1.00 0.00 H new ATOM 0 HD22 LEU A 614 -32.149 -18.564 20.804 1.00 0.00 H new ATOM 0 HD23 LEU A 614 -31.884 -19.207 22.442 1.00 0.00 H new ATOM 1085 N ASN A 615 -33.663 -15.959 25.736 1.00 0.00 N ATOM 1086 CA ASN A 615 -33.974 -16.356 27.125 1.00 0.00 C ATOM 1087 C ASN A 615 -35.269 -15.667 27.623 1.00 0.00 C ATOM 1088 O ASN A 615 -36.223 -16.330 28.056 1.00 0.00 O ATOM 1089 CB ASN A 615 -32.767 -16.009 28.039 1.00 0.00 C ATOM 1090 CG ASN A 615 -32.941 -16.460 29.490 1.00 0.00 C ATOM 1091 OD1 ASN A 615 -33.401 -15.705 30.342 1.00 0.00 O ATOM 1092 ND2 ASN A 615 -32.587 -17.703 29.778 1.00 0.00 N ATOM 0 H ASN A 615 -32.747 -15.520 25.638 1.00 0.00 H new ATOM 0 HA ASN A 615 -34.148 -17.431 27.160 1.00 0.00 H new ATOM 0 HB2 ASN A 615 -31.869 -16.472 27.630 1.00 0.00 H new ATOM 0 HB3 ASN A 615 -32.607 -14.931 28.020 1.00 0.00 H new ATOM 0 HD21 ASN A 615 -32.694 -18.056 30.729 1.00 0.00 H new ATOM 0 HD22 ASN A 615 -32.208 -18.307 29.049 1.00 0.00 H new ATOM 1099 N ALA A 616 -35.292 -14.328 27.505 1.00 0.00 N ATOM 1100 CA ALA A 616 -36.436 -13.491 27.930 1.00 0.00 C ATOM 1101 C ALA A 616 -37.651 -13.671 26.993 1.00 0.00 C ATOM 1102 O ALA A 616 -38.802 -13.584 27.426 1.00 0.00 O ATOM 1103 CB ALA A 616 -36.004 -12.014 27.976 1.00 0.00 C ATOM 0 H ALA A 616 -34.519 -13.792 27.112 1.00 0.00 H new ATOM 0 HA ALA A 616 -36.744 -13.811 28.926 1.00 0.00 H new ATOM 0 HB1 ALA A 616 -36.847 -11.398 28.289 1.00 0.00 H new ATOM 0 HB2 ALA A 616 -35.185 -11.896 28.686 1.00 0.00 H new ATOM 0 HB3 ALA A 616 -35.674 -11.701 26.986 1.00 0.00 H new ATOM 1109 N SER A 617 -37.366 -13.943 25.710 1.00 0.00 N ATOM 1110 CA SER A 617 -38.386 -14.066 24.647 1.00 0.00 C ATOM 1111 C SER A 617 -39.097 -15.436 24.715 1.00 0.00 C ATOM 1112 O SER A 617 -40.238 -15.582 24.263 1.00 0.00 O ATOM 1113 CB SER A 617 -37.719 -13.847 23.272 1.00 0.00 C ATOM 1114 OG SER A 617 -38.657 -13.869 22.216 1.00 0.00 O ATOM 0 H SER A 617 -36.413 -14.086 25.374 1.00 0.00 H new ATOM 0 HA SER A 617 -39.150 -13.302 24.794 1.00 0.00 H new ATOM 0 HB2 SER A 617 -37.196 -12.891 23.272 1.00 0.00 H new ATOM 0 HB3 SER A 617 -36.969 -14.620 23.106 1.00 0.00 H new ATOM 0 HG SER A 617 -38.194 -13.725 21.364 1.00 0.00 H new ATOM 1120 N ARG A 618 -38.400 -16.444 25.273 1.00 0.00 N ATOM 1121 CA ARG A 618 -38.995 -17.759 25.598 1.00 0.00 C ATOM 1122 C ARG A 618 -39.775 -17.677 26.925 1.00 0.00 C ATOM 1123 O ARG A 618 -40.594 -18.556 27.217 1.00 0.00 O ATOM 1124 CB ARG A 618 -37.899 -18.860 25.703 1.00 0.00 C ATOM 1125 CG ARG A 618 -37.183 -19.222 24.378 1.00 0.00 C ATOM 1126 CD ARG A 618 -38.115 -19.874 23.341 1.00 0.00 C ATOM 1127 NE ARG A 618 -37.402 -20.225 22.095 1.00 0.00 N ATOM 1128 CZ ARG A 618 -36.804 -21.405 21.842 1.00 0.00 C ATOM 1129 NH1 ARG A 618 -36.787 -22.379 22.752 1.00 0.00 N ATOM 1130 NH2 ARG A 618 -36.213 -21.602 20.670 1.00 0.00 N ATOM 0 H ARG A 618 -37.411 -16.372 25.512 1.00 0.00 H new ATOM 0 HA ARG A 618 -39.678 -18.026 24.792 1.00 0.00 H new ATOM 0 HB2 ARG A 618 -37.149 -18.533 26.423 1.00 0.00 H new ATOM 0 HB3 ARG A 618 -38.355 -19.764 26.107 1.00 0.00 H new ATOM 0 HG2 ARG A 618 -36.749 -18.319 23.949 1.00 0.00 H new ATOM 0 HG3 ARG A 618 -36.358 -19.901 24.593 1.00 0.00 H new ATOM 0 HD2 ARG A 618 -38.560 -20.772 23.769 1.00 0.00 H new ATOM 0 HD3 ARG A 618 -38.933 -19.192 23.110 1.00 0.00 H new ATOM 0 HE ARG A 618 -37.359 -19.514 21.365 1.00 0.00 H new ATOM 0 HH11 ARG A 618 -37.232 -22.238 23.659 1.00 0.00 H new ATOM 0 HH12 ARG A 618 -36.329 -23.266 22.541 1.00 0.00 H new ATOM 0 HH21 ARG A 618 -36.214 -20.862 19.968 1.00 0.00 H new ATOM 0 HH22 ARG A 618 -35.758 -22.493 20.472 1.00 0.00 H new ATOM 1144 N ALA A 619 -39.493 -16.605 27.711 1.00 0.00 N ATOM 1145 CA ALA A 619 -40.011 -16.398 29.085 1.00 0.00 C ATOM 1146 C ALA A 619 -39.484 -17.490 30.040 1.00 0.00 C ATOM 1147 O ALA A 619 -40.066 -17.756 31.099 1.00 0.00 O ATOM 1148 CB ALA A 619 -41.550 -16.298 29.103 1.00 0.00 C ATOM 0 H ALA A 619 -38.887 -15.847 27.399 1.00 0.00 H new ATOM 0 HA ALA A 619 -39.635 -15.441 29.447 1.00 0.00 H new ATOM 0 HB1 ALA A 619 -41.893 -16.147 30.127 1.00 0.00 H new ATOM 0 HB2 ALA A 619 -41.867 -15.457 28.486 1.00 0.00 H new ATOM 0 HB3 ALA A 619 -41.979 -17.219 28.709 1.00 0.00 H new ATOM 1154 N LYS A 620 -38.337 -18.073 29.667 1.00 0.00 N ATOM 1155 CA LYS A 620 -37.690 -19.165 30.404 1.00 0.00 C ATOM 1156 C LYS A 620 -36.337 -18.677 30.934 1.00 0.00 C ATOM 1157 O LYS A 620 -35.567 -18.071 30.199 1.00 0.00 O ATOM 1158 CB LYS A 620 -37.474 -20.394 29.480 1.00 0.00 C ATOM 1159 CG LYS A 620 -36.779 -21.585 30.177 1.00 0.00 C ATOM 1160 CD LYS A 620 -36.390 -22.717 29.210 1.00 0.00 C ATOM 1161 CE LYS A 620 -35.683 -23.873 29.940 1.00 0.00 C ATOM 1162 NZ LYS A 620 -34.442 -23.418 30.635 1.00 0.00 N ATOM 0 H LYS A 620 -37.825 -17.794 28.830 1.00 0.00 H new ATOM 0 HA LYS A 620 -38.331 -19.464 31.233 1.00 0.00 H new ATOM 0 HB2 LYS A 620 -38.440 -20.723 29.097 1.00 0.00 H new ATOM 0 HB3 LYS A 620 -36.877 -20.090 28.620 1.00 0.00 H new ATOM 0 HG2 LYS A 620 -35.883 -21.227 30.685 1.00 0.00 H new ATOM 0 HG3 LYS A 620 -37.442 -21.985 30.944 1.00 0.00 H new ATOM 0 HD2 LYS A 620 -37.284 -23.094 28.713 1.00 0.00 H new ATOM 0 HD3 LYS A 620 -35.735 -22.323 28.433 1.00 0.00 H new ATOM 0 HE2 LYS A 620 -36.365 -24.314 30.667 1.00 0.00 H new ATOM 0 HE3 LYS A 620 -35.432 -24.655 29.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 620 -33.891 -24.246 30.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 620 -33.871 -22.842 29.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 620 -34.699 -22.849 31.467 1.00 0.00 H new ATOM 1176 N LYS A 621 -36.074 -18.930 32.217 1.00 0.00 N ATOM 1177 CA LYS A 621 -34.775 -18.630 32.847 1.00 0.00 C ATOM 1178 C LYS A 621 -33.757 -19.766 32.553 1.00 0.00 C ATOM 1179 CB LYS A 621 -34.969 -18.386 34.379 1.00 0.00 C ATOM 1180 CG LYS A 621 -35.585 -19.562 35.170 1.00 0.00 C ATOM 1181 CD LYS A 621 -35.871 -19.228 36.666 1.00 0.00 C ATOM 1182 CE LYS A 621 -34.607 -18.980 37.525 1.00 0.00 C ATOM 1183 NZ LYS A 621 -33.963 -17.666 37.259 1.00 0.00 N ATOM 0 H LYS A 621 -36.752 -19.349 32.854 1.00 0.00 H new ATOM 0 HA LYS A 621 -34.364 -17.715 32.420 1.00 0.00 H new ATOM 0 HB2 LYS A 621 -34.000 -18.146 34.816 1.00 0.00 H new ATOM 0 HB3 LYS A 621 -35.604 -17.510 34.512 1.00 0.00 H new ATOM 0 HG2 LYS A 621 -36.516 -19.864 34.690 1.00 0.00 H new ATOM 0 HG3 LYS A 621 -34.909 -20.416 35.120 1.00 0.00 H new ATOM 0 HD2 LYS A 621 -36.505 -18.342 36.712 1.00 0.00 H new ATOM 0 HD3 LYS A 621 -36.438 -20.049 37.106 1.00 0.00 H new ATOM 0 HE2 LYS A 621 -34.876 -19.038 38.580 1.00 0.00 H new ATOM 0 HE3 LYS A 621 -33.886 -19.775 37.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 621 -33.082 -17.813 36.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 621 -34.608 -17.069 36.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 621 -33.748 -17.196 38.161 1.00 0.00 H new TER 1197 LYS A 621