USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=23 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 589 LYS NZ :NH3+ -129:sc= 1.1 (180deg=-1.89) USER MOD Set 1.2: A 592 CYS SG : rot 64:sc= 1.22 USER MOD Set 2.1: A 564 GLN :FLIP amide:sc= 0 F(o=0.15,f=1.1) USER MOD Set 2.2: A 568 THR OG1 : rot 89:sc= 1.06 USER MOD Single : A 552 THR OG1 : rot 38:sc= 0.021 USER MOD Single : A 555 THR OG1 : rot 169:sc= 0.444 USER MOD Single : A 556 THR OG1 : rot 180:sc= 0 USER MOD Single : A 559 GLN :FLIP amide:sc= -1.21 F(o=-4!,f=-1.2) USER MOD Single : A 560 LYS NZ :NH3+ 170:sc= -0.228 (180deg=-0.584) USER MOD Single : A 567 LYS NZ :NH3+ 172:sc= -0.0114 (180deg=-0.109) USER MOD Single : A 569 TYR OH : rot 180:sc= 0 USER MOD Single : A 572 ASN : amide:sc= -0.0533 X(o=-0.053,f=-0.32) USER MOD Single : A 573 THR OG1 : rot -160:sc= -0.498 USER MOD Single : A 578 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 579 LYS NZ :NH3+ -166:sc= -0.016 (180deg=-0.187) USER MOD Single : A 588 THR OG1 : rot -30:sc= -0.164 USER MOD Single : A 590 LYS NZ :NH3+ -130:sc= -0.947 (180deg=-3.39!) USER MOD Single : A 593 MET CE :methyl -123:sc= 0 (180deg=-2.04!) USER MOD Single : A 594 LYS NZ :NH3+ -171:sc=-0.00659 (180deg=-0.0946) USER MOD Single : A 596 TYR OH : rot 180:sc= 0 USER MOD Single : A 597 LYS NZ :NH3+ 163:sc= 0.789 (180deg=0.591) USER MOD Single : A 602 MET CE :methyl -171:sc= -0.927 (180deg=-1.09) USER MOD Single : A 604 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 606 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 607 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0225) USER MOD Single : A 610 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 612 GLN : amide:sc= -0.0157 X(o=-0.016,f=-0.36) USER MOD Single : A 615 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 617 SER OG : rot -80:sc= 0.356 USER MOD Single : A 620 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 621 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00279) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 551 1.159 -5.522 9.412 1.00 0.00 N ATOM 2 CA PHE A 551 0.163 -6.602 9.527 1.00 0.00 C ATOM 3 C PHE A 551 -0.365 -7.007 8.133 1.00 0.00 C ATOM 4 O PHE A 551 -0.588 -6.153 7.265 1.00 0.00 O ATOM 5 CB PHE A 551 -0.992 -6.203 10.495 1.00 0.00 C ATOM 6 CG PHE A 551 -1.886 -5.038 10.063 1.00 0.00 C ATOM 7 CD1 PHE A 551 -1.560 -3.717 10.386 1.00 0.00 C ATOM 8 CD2 PHE A 551 -3.073 -5.259 9.351 1.00 0.00 C ATOM 9 CE1 PHE A 551 -2.382 -2.666 10.011 1.00 0.00 C ATOM 10 CE2 PHE A 551 -3.893 -4.204 8.983 1.00 0.00 C ATOM 11 CZ PHE A 551 -3.545 -2.910 9.310 1.00 0.00 C ATOM 0 HA PHE A 551 0.652 -7.475 9.959 1.00 0.00 H new ATOM 0 HB2 PHE A 551 -1.624 -7.078 10.647 1.00 0.00 H new ATOM 0 HB3 PHE A 551 -0.554 -5.954 11.462 1.00 0.00 H new ATOM 0 HD1 PHE A 551 -0.653 -3.513 10.936 1.00 0.00 H new ATOM 0 HD2 PHE A 551 -3.353 -6.268 9.085 1.00 0.00 H new ATOM 0 HE1 PHE A 551 -2.111 -1.653 10.268 1.00 0.00 H new ATOM 0 HE2 PHE A 551 -4.806 -4.395 8.439 1.00 0.00 H new ATOM 0 HZ PHE A 551 -4.182 -2.089 9.018 1.00 0.00 H new ATOM 21 N THR A 552 -0.526 -8.317 7.923 1.00 0.00 N ATOM 22 CA THR A 552 -0.922 -8.897 6.637 1.00 0.00 C ATOM 23 C THR A 552 -2.465 -9.071 6.567 1.00 0.00 C ATOM 24 O THR A 552 -3.031 -9.838 7.357 1.00 0.00 O ATOM 25 CB THR A 552 -0.194 -10.267 6.435 1.00 0.00 C ATOM 26 OG1 THR A 552 -0.481 -11.155 7.534 1.00 0.00 O ATOM 27 CG2 THR A 552 1.332 -10.089 6.330 1.00 0.00 C ATOM 0 H THR A 552 -0.383 -9.015 8.653 1.00 0.00 H new ATOM 0 HA THR A 552 -0.628 -8.221 5.834 1.00 0.00 H new ATOM 0 HB THR A 552 -0.564 -10.692 5.502 1.00 0.00 H new ATOM 0 HG1 THR A 552 -1.413 -11.038 7.815 1.00 0.00 H new ATOM 0 HG21 THR A 552 1.803 -11.062 6.190 1.00 0.00 H new ATOM 0 HG22 THR A 552 1.566 -9.447 5.481 1.00 0.00 H new ATOM 0 HG23 THR A 552 1.709 -9.632 7.245 1.00 0.00 H new ATOM 35 N PRO A 553 -3.171 -8.357 5.625 1.00 0.00 N ATOM 36 CA PRO A 553 -4.651 -8.405 5.521 1.00 0.00 C ATOM 37 C PRO A 553 -5.158 -9.758 4.972 1.00 0.00 C ATOM 38 O PRO A 553 -4.725 -10.215 3.906 1.00 0.00 O ATOM 39 CB PRO A 553 -4.977 -7.235 4.564 1.00 0.00 C ATOM 40 CG PRO A 553 -3.761 -7.117 3.691 1.00 0.00 C ATOM 41 CD PRO A 553 -2.582 -7.459 4.583 1.00 0.00 C ATOM 0 HA PRO A 553 -5.142 -8.312 6.490 1.00 0.00 H new ATOM 0 HB2 PRO A 553 -5.871 -7.441 3.975 1.00 0.00 H new ATOM 0 HB3 PRO A 553 -5.163 -6.312 5.113 1.00 0.00 H new ATOM 0 HG2 PRO A 553 -3.821 -7.798 2.842 1.00 0.00 H new ATOM 0 HG3 PRO A 553 -3.666 -6.110 3.285 1.00 0.00 H new ATOM 0 HD2 PRO A 553 -1.790 -7.959 4.025 1.00 0.00 H new ATOM 0 HD3 PRO A 553 -2.144 -6.565 5.027 1.00 0.00 H new ATOM 49 N TRP A 554 -6.075 -10.382 5.722 1.00 0.00 N ATOM 50 CA TRP A 554 -6.633 -11.702 5.394 1.00 0.00 C ATOM 51 C TRP A 554 -7.554 -11.635 4.170 1.00 0.00 C ATOM 52 O TRP A 554 -8.698 -11.171 4.260 1.00 0.00 O ATOM 53 CB TRP A 554 -7.383 -12.288 6.620 1.00 0.00 C ATOM 54 CG TRP A 554 -6.442 -12.629 7.745 1.00 0.00 C ATOM 55 CD1 TRP A 554 -6.127 -11.872 8.836 1.00 0.00 C ATOM 56 CD2 TRP A 554 -5.657 -13.812 7.840 1.00 0.00 C ATOM 57 NE1 TRP A 554 -5.207 -12.526 9.605 1.00 0.00 N ATOM 58 CE2 TRP A 554 -4.894 -13.716 9.006 1.00 0.00 C ATOM 59 CE3 TRP A 554 -5.532 -14.946 7.043 1.00 0.00 C ATOM 60 CZ2 TRP A 554 -4.012 -14.711 9.393 1.00 0.00 C ATOM 61 CZ3 TRP A 554 -4.665 -15.933 7.434 1.00 0.00 C ATOM 62 CH2 TRP A 554 -3.904 -15.810 8.595 1.00 0.00 C ATOM 0 H TRP A 554 -6.454 -9.983 6.581 1.00 0.00 H new ATOM 0 HA TRP A 554 -5.805 -12.365 5.142 1.00 0.00 H new ATOM 0 HB2 TRP A 554 -8.122 -11.568 6.971 1.00 0.00 H new ATOM 0 HB3 TRP A 554 -7.927 -13.183 6.319 1.00 0.00 H new ATOM 0 HD1 TRP A 554 -6.543 -10.901 9.058 1.00 0.00 H new ATOM 0 HE1 TRP A 554 -4.817 -12.183 10.483 1.00 0.00 H new ATOM 0 HE3 TRP A 554 -6.107 -15.046 6.134 1.00 0.00 H new ATOM 0 HZ2 TRP A 554 -3.429 -14.619 10.297 1.00 0.00 H new ATOM 0 HZ3 TRP A 554 -4.570 -16.824 6.830 1.00 0.00 H new ATOM 0 HH2 TRP A 554 -3.218 -16.598 8.867 1.00 0.00 H new ATOM 73 N THR A 555 -7.006 -12.039 3.017 1.00 0.00 N ATOM 74 CA THR A 555 -7.783 -12.303 1.814 1.00 0.00 C ATOM 75 C THR A 555 -8.543 -13.633 1.988 1.00 0.00 C ATOM 76 O THR A 555 -8.088 -14.508 2.730 1.00 0.00 O ATOM 77 CB THR A 555 -6.859 -12.364 0.564 1.00 0.00 C ATOM 78 OG1 THR A 555 -5.820 -13.336 0.781 1.00 0.00 O ATOM 79 CG2 THR A 555 -6.223 -11.000 0.243 1.00 0.00 C ATOM 0 H THR A 555 -6.004 -12.191 2.899 1.00 0.00 H new ATOM 0 HA THR A 555 -8.496 -11.493 1.662 1.00 0.00 H new ATOM 0 HB THR A 555 -7.477 -12.650 -0.287 1.00 0.00 H new ATOM 0 HG1 THR A 555 -5.352 -13.509 -0.063 1.00 0.00 H new ATOM 0 HG21 THR A 555 -5.587 -11.093 -0.637 1.00 0.00 H new ATOM 0 HG22 THR A 555 -7.008 -10.269 0.048 1.00 0.00 H new ATOM 0 HG23 THR A 555 -5.623 -10.670 1.091 1.00 0.00 H new ATOM 87 N THR A 556 -9.677 -13.767 1.286 1.00 0.00 N ATOM 88 CA THR A 556 -10.630 -14.877 1.463 1.00 0.00 C ATOM 89 C THR A 556 -9.951 -16.269 1.325 1.00 0.00 C ATOM 90 O THR A 556 -10.302 -17.213 2.045 1.00 0.00 O ATOM 91 CB THR A 556 -11.792 -14.729 0.427 1.00 0.00 C ATOM 92 OG1 THR A 556 -12.338 -13.403 0.526 1.00 0.00 O ATOM 93 CG2 THR A 556 -12.922 -15.757 0.630 1.00 0.00 C ATOM 0 H THR A 556 -9.964 -13.100 0.570 1.00 0.00 H new ATOM 0 HA THR A 556 -11.026 -14.822 2.477 1.00 0.00 H new ATOM 0 HB THR A 556 -11.369 -14.913 -0.560 1.00 0.00 H new ATOM 0 HG1 THR A 556 -13.067 -13.300 -0.121 1.00 0.00 H new ATOM 0 HG21 THR A 556 -13.696 -15.600 -0.121 1.00 0.00 H new ATOM 0 HG22 THR A 556 -12.519 -16.765 0.530 1.00 0.00 H new ATOM 0 HG23 THR A 556 -13.351 -15.635 1.625 1.00 0.00 H new ATOM 101 N GLU A 557 -8.956 -16.358 0.423 1.00 0.00 N ATOM 102 CA GLU A 557 -8.175 -17.588 0.187 1.00 0.00 C ATOM 103 C GLU A 557 -7.310 -17.961 1.419 1.00 0.00 C ATOM 104 O GLU A 557 -7.444 -19.061 1.951 1.00 0.00 O ATOM 105 CB GLU A 557 -7.311 -17.480 -1.116 1.00 0.00 C ATOM 106 CG GLU A 557 -6.571 -16.135 -1.348 1.00 0.00 C ATOM 107 CD GLU A 557 -7.355 -15.148 -2.244 1.00 0.00 C ATOM 108 OE1 GLU A 557 -8.238 -14.426 -1.731 1.00 0.00 O ATOM 109 OE2 GLU A 557 -7.110 -15.104 -3.467 1.00 0.00 O ATOM 0 H GLU A 557 -8.669 -15.576 -0.165 1.00 0.00 H new ATOM 0 HA GLU A 557 -8.887 -18.400 0.036 1.00 0.00 H new ATOM 0 HB2 GLU A 557 -6.570 -18.279 -1.101 1.00 0.00 H new ATOM 0 HB3 GLU A 557 -7.960 -17.664 -1.972 1.00 0.00 H new ATOM 0 HG2 GLU A 557 -6.378 -15.664 -0.384 1.00 0.00 H new ATOM 0 HG3 GLU A 557 -5.602 -16.336 -1.804 1.00 0.00 H new ATOM 116 N GLU A 558 -6.461 -17.028 1.889 1.00 0.00 N ATOM 117 CA GLU A 558 -5.587 -17.263 3.068 1.00 0.00 C ATOM 118 C GLU A 558 -6.407 -17.412 4.367 1.00 0.00 C ATOM 119 O GLU A 558 -5.975 -18.082 5.307 1.00 0.00 O ATOM 120 CB GLU A 558 -4.533 -16.127 3.222 1.00 0.00 C ATOM 121 CG GLU A 558 -3.279 -16.270 2.330 1.00 0.00 C ATOM 122 CD GLU A 558 -3.566 -16.238 0.820 1.00 0.00 C ATOM 123 OE1 GLU A 558 -3.661 -15.124 0.254 1.00 0.00 O ATOM 124 OE2 GLU A 558 -3.682 -17.320 0.194 1.00 0.00 O ATOM 0 H GLU A 558 -6.357 -16.102 1.474 1.00 0.00 H new ATOM 0 HA GLU A 558 -5.062 -18.202 2.893 1.00 0.00 H new ATOM 0 HB2 GLU A 558 -5.013 -15.175 2.997 1.00 0.00 H new ATOM 0 HB3 GLU A 558 -4.216 -16.086 4.264 1.00 0.00 H new ATOM 0 HG2 GLU A 558 -2.583 -15.467 2.572 1.00 0.00 H new ATOM 0 HG3 GLU A 558 -2.781 -17.208 2.573 1.00 0.00 H new ATOM 131 N GLN A 559 -7.590 -16.787 4.391 1.00 0.00 N ATOM 132 CA GLN A 559 -8.484 -16.781 5.559 1.00 0.00 C ATOM 133 C GLN A 559 -9.136 -18.164 5.767 1.00 0.00 C ATOM 134 O GLN A 559 -9.265 -18.622 6.911 1.00 0.00 O ATOM 135 CB GLN A 559 -9.529 -15.626 5.401 1.00 0.00 C ATOM 136 CG GLN A 559 -10.649 -15.564 6.474 1.00 0.00 C ATOM 137 CD GLN A 559 -11.867 -16.441 6.140 1.00 0.00 C ATOM 138 OE1 GLN A 559 -12.446 -17.064 7.146 1.00 0.00 O flip ATOM 139 NE2 GLN A 559 -12.236 -16.600 4.979 1.00 0.00 N flip ATOM 0 H GLN A 559 -7.958 -16.267 3.595 1.00 0.00 H new ATOM 0 HA GLN A 559 -7.909 -16.587 6.465 1.00 0.00 H new ATOM 0 HB2 GLN A 559 -8.994 -14.676 5.409 1.00 0.00 H new ATOM 0 HB3 GLN A 559 -9.998 -15.720 4.421 1.00 0.00 H new ATOM 0 HG2 GLN A 559 -10.239 -15.876 7.434 1.00 0.00 H new ATOM 0 HG3 GLN A 559 -10.976 -14.530 6.588 1.00 0.00 H new ATOM 0 HE21 GLN A 559 -11.767 -16.103 4.222 1.00 0.00 H new ATOM 0 HE22 GLN A 559 -13.012 -17.229 4.772 1.00 0.00 H new ATOM 148 N LYS A 560 -9.547 -18.826 4.662 1.00 0.00 N ATOM 149 CA LYS A 560 -10.115 -20.194 4.733 1.00 0.00 C ATOM 150 C LYS A 560 -8.996 -21.226 5.004 1.00 0.00 C ATOM 151 O LYS A 560 -9.250 -22.274 5.599 1.00 0.00 O ATOM 152 CB LYS A 560 -10.908 -20.575 3.447 1.00 0.00 C ATOM 153 CG LYS A 560 -10.055 -20.735 2.169 1.00 0.00 C ATOM 154 CD LYS A 560 -10.845 -21.303 0.962 1.00 0.00 C ATOM 155 CE LYS A 560 -12.038 -20.428 0.540 1.00 0.00 C ATOM 156 NZ LYS A 560 -11.640 -19.031 0.244 1.00 0.00 N ATOM 0 H LYS A 560 -9.497 -18.441 3.719 1.00 0.00 H new ATOM 0 HA LYS A 560 -10.824 -20.206 5.561 1.00 0.00 H new ATOM 0 HB2 LYS A 560 -11.437 -21.510 3.630 1.00 0.00 H new ATOM 0 HB3 LYS A 560 -11.664 -19.811 3.266 1.00 0.00 H new ATOM 0 HG2 LYS A 560 -9.639 -19.765 1.896 1.00 0.00 H new ATOM 0 HG3 LYS A 560 -9.214 -21.394 2.384 1.00 0.00 H new ATOM 0 HD2 LYS A 560 -10.168 -21.413 0.115 1.00 0.00 H new ATOM 0 HD3 LYS A 560 -11.207 -22.300 1.212 1.00 0.00 H new ATOM 0 HE2 LYS A 560 -12.510 -20.863 -0.341 1.00 0.00 H new ATOM 0 HE3 LYS A 560 -12.784 -20.429 1.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 560 -12.438 -18.528 -0.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 560 -11.373 -18.552 1.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 560 -10.830 -19.032 -0.408 1.00 0.00 H new ATOM 170 N LEU A 561 -7.754 -20.903 4.548 1.00 0.00 N ATOM 171 CA LEU A 561 -6.546 -21.706 4.847 1.00 0.00 C ATOM 172 C LEU A 561 -6.201 -21.617 6.340 1.00 0.00 C ATOM 173 O LEU A 561 -5.640 -22.560 6.908 1.00 0.00 O ATOM 174 CB LEU A 561 -5.320 -21.231 4.008 1.00 0.00 C ATOM 175 CG LEU A 561 -5.394 -21.445 2.466 1.00 0.00 C ATOM 176 CD1 LEU A 561 -4.103 -20.941 1.775 1.00 0.00 C ATOM 177 CD2 LEU A 561 -5.686 -22.920 2.121 1.00 0.00 C ATOM 0 H LEU A 561 -7.568 -20.085 3.968 1.00 0.00 H new ATOM 0 HA LEU A 561 -6.769 -22.739 4.581 1.00 0.00 H new ATOM 0 HB2 LEU A 561 -5.172 -20.168 4.196 1.00 0.00 H new ATOM 0 HB3 LEU A 561 -4.435 -21.747 4.380 1.00 0.00 H new ATOM 0 HG LEU A 561 -6.225 -20.853 2.082 1.00 0.00 H new ATOM 0 HD11 LEU A 561 -4.179 -21.102 0.700 1.00 0.00 H new ATOM 0 HD12 LEU A 561 -3.975 -19.877 1.975 1.00 0.00 H new ATOM 0 HD13 LEU A 561 -3.245 -21.489 2.163 1.00 0.00 H new ATOM 0 HD21 LEU A 561 -5.732 -23.038 1.038 1.00 0.00 H new ATOM 0 HD22 LEU A 561 -4.893 -23.551 2.522 1.00 0.00 H new ATOM 0 HD23 LEU A 561 -6.640 -23.214 2.559 1.00 0.00 H new ATOM 189 N LEU A 562 -6.512 -20.459 6.954 1.00 0.00 N ATOM 190 CA LEU A 562 -6.314 -20.259 8.394 1.00 0.00 C ATOM 191 C LEU A 562 -7.234 -21.195 9.186 1.00 0.00 C ATOM 192 O LEU A 562 -6.774 -21.884 10.072 1.00 0.00 O ATOM 193 CB LEU A 562 -6.557 -18.784 8.806 1.00 0.00 C ATOM 194 CG LEU A 562 -6.348 -18.462 10.322 1.00 0.00 C ATOM 195 CD1 LEU A 562 -4.922 -18.795 10.798 1.00 0.00 C ATOM 196 CD2 LEU A 562 -6.704 -17.004 10.642 1.00 0.00 C ATOM 0 H LEU A 562 -6.902 -19.650 6.470 1.00 0.00 H new ATOM 0 HA LEU A 562 -5.276 -20.497 8.626 1.00 0.00 H new ATOM 0 HB2 LEU A 562 -5.891 -18.148 8.223 1.00 0.00 H new ATOM 0 HB3 LEU A 562 -7.577 -18.513 8.533 1.00 0.00 H new ATOM 0 HG LEU A 562 -7.032 -19.107 10.874 1.00 0.00 H new ATOM 0 HD11 LEU A 562 -4.826 -18.554 11.857 1.00 0.00 H new ATOM 0 HD12 LEU A 562 -4.727 -19.857 10.648 1.00 0.00 H new ATOM 0 HD13 LEU A 562 -4.202 -18.210 10.226 1.00 0.00 H new ATOM 0 HD21 LEU A 562 -6.547 -16.816 11.704 1.00 0.00 H new ATOM 0 HD22 LEU A 562 -6.069 -16.338 10.058 1.00 0.00 H new ATOM 0 HD23 LEU A 562 -7.749 -16.821 10.392 1.00 0.00 H new ATOM 208 N GLU A 563 -8.522 -21.232 8.813 1.00 0.00 N ATOM 209 CA GLU A 563 -9.546 -22.063 9.498 1.00 0.00 C ATOM 210 C GLU A 563 -9.282 -23.561 9.277 1.00 0.00 C ATOM 211 O GLU A 563 -9.549 -24.385 10.161 1.00 0.00 O ATOM 212 CB GLU A 563 -10.956 -21.676 8.992 1.00 0.00 C ATOM 213 CG GLU A 563 -11.270 -20.186 9.150 1.00 0.00 C ATOM 214 CD GLU A 563 -12.677 -19.767 8.687 1.00 0.00 C ATOM 215 OE1 GLU A 563 -13.115 -20.215 7.611 1.00 0.00 O ATOM 216 OE2 GLU A 563 -13.324 -18.947 9.385 1.00 0.00 O ATOM 0 H GLU A 563 -8.891 -20.691 8.031 1.00 0.00 H new ATOM 0 HA GLU A 563 -9.488 -21.873 10.570 1.00 0.00 H new ATOM 0 HB2 GLU A 563 -11.044 -21.949 7.940 1.00 0.00 H new ATOM 0 HB3 GLU A 563 -11.701 -22.257 9.536 1.00 0.00 H new ATOM 0 HG2 GLU A 563 -11.153 -19.914 10.199 1.00 0.00 H new ATOM 0 HG3 GLU A 563 -10.533 -19.613 8.588 1.00 0.00 H new ATOM 223 N GLN A 564 -8.754 -23.879 8.078 1.00 0.00 N ATOM 224 CA GLN A 564 -8.213 -25.209 7.740 1.00 0.00 C ATOM 225 C GLN A 564 -7.151 -25.610 8.780 1.00 0.00 C ATOM 226 O GLN A 564 -7.206 -26.689 9.365 1.00 0.00 O ATOM 227 CB GLN A 564 -7.600 -25.164 6.307 1.00 0.00 C ATOM 228 CG GLN A 564 -6.725 -26.369 5.878 1.00 0.00 C ATOM 229 CD GLN A 564 -7.493 -27.681 5.737 1.00 0.00 C ATOM 230 OE1 GLN A 564 -7.547 -28.470 6.803 1.00 0.00 O flip ATOM 231 NE2 GLN A 564 -8.020 -27.991 4.670 1.00 0.00 N flip ATOM 0 H GLN A 564 -8.691 -23.212 7.309 1.00 0.00 H new ATOM 0 HA GLN A 564 -9.009 -25.954 7.756 1.00 0.00 H new ATOM 0 HB2 GLN A 564 -8.417 -25.067 5.592 1.00 0.00 H new ATOM 0 HB3 GLN A 564 -6.996 -24.260 6.225 1.00 0.00 H new ATOM 0 HG2 GLN A 564 -6.248 -26.136 4.926 1.00 0.00 H new ATOM 0 HG3 GLN A 564 -5.928 -26.504 6.610 1.00 0.00 H new ATOM 0 HE21 GLN A 564 -7.960 -27.362 3.870 1.00 0.00 H new ATOM 0 HE22 GLN A 564 -8.517 -28.878 4.585 1.00 0.00 H new ATOM 240 N ALA A 565 -6.234 -24.681 9.030 1.00 0.00 N ATOM 241 CA ALA A 565 -5.079 -24.893 9.904 1.00 0.00 C ATOM 242 C ALA A 565 -5.445 -24.791 11.409 1.00 0.00 C ATOM 243 O ALA A 565 -4.793 -25.404 12.249 1.00 0.00 O ATOM 244 CB ALA A 565 -3.989 -23.889 9.505 1.00 0.00 C ATOM 0 H ALA A 565 -6.270 -23.745 8.627 1.00 0.00 H new ATOM 0 HA ALA A 565 -4.709 -25.910 9.772 1.00 0.00 H new ATOM 0 HB1 ALA A 565 -3.116 -24.027 10.143 1.00 0.00 H new ATOM 0 HB2 ALA A 565 -3.708 -24.052 8.465 1.00 0.00 H new ATOM 0 HB3 ALA A 565 -4.368 -22.874 9.624 1.00 0.00 H new ATOM 250 N LEU A 566 -6.494 -24.016 11.741 1.00 0.00 N ATOM 251 CA LEU A 566 -6.940 -23.804 13.140 1.00 0.00 C ATOM 252 C LEU A 566 -7.616 -25.065 13.684 1.00 0.00 C ATOM 253 O LEU A 566 -7.414 -25.451 14.838 1.00 0.00 O ATOM 254 CB LEU A 566 -7.931 -22.600 13.233 1.00 0.00 C ATOM 255 CG LEU A 566 -7.311 -21.179 13.052 1.00 0.00 C ATOM 256 CD1 LEU A 566 -8.406 -20.088 12.956 1.00 0.00 C ATOM 257 CD2 LEU A 566 -6.307 -20.870 14.179 1.00 0.00 C ATOM 0 H LEU A 566 -7.058 -23.518 11.052 1.00 0.00 H new ATOM 0 HA LEU A 566 -6.058 -23.581 13.741 1.00 0.00 H new ATOM 0 HB2 LEU A 566 -8.705 -22.735 12.477 1.00 0.00 H new ATOM 0 HB3 LEU A 566 -8.424 -22.637 14.204 1.00 0.00 H new ATOM 0 HG LEU A 566 -6.767 -21.173 12.108 1.00 0.00 H new ATOM 0 HD11 LEU A 566 -7.937 -19.112 12.831 1.00 0.00 H new ATOM 0 HD12 LEU A 566 -9.050 -20.294 12.101 1.00 0.00 H new ATOM 0 HD13 LEU A 566 -9.002 -20.090 13.869 1.00 0.00 H new ATOM 0 HD21 LEU A 566 -5.889 -19.874 14.031 1.00 0.00 H new ATOM 0 HD22 LEU A 566 -6.817 -20.910 15.142 1.00 0.00 H new ATOM 0 HD23 LEU A 566 -5.504 -21.607 14.163 1.00 0.00 H new ATOM 269 N LYS A 567 -8.428 -25.688 12.826 1.00 0.00 N ATOM 270 CA LYS A 567 -9.280 -26.824 13.201 1.00 0.00 C ATOM 271 C LYS A 567 -8.517 -28.161 13.062 1.00 0.00 C ATOM 272 O LYS A 567 -8.844 -29.136 13.750 1.00 0.00 O ATOM 273 CB LYS A 567 -10.568 -26.782 12.326 1.00 0.00 C ATOM 274 CG LYS A 567 -11.721 -27.686 12.809 1.00 0.00 C ATOM 275 CD LYS A 567 -13.044 -27.445 12.033 1.00 0.00 C ATOM 276 CE LYS A 567 -12.930 -27.770 10.535 1.00 0.00 C ATOM 277 NZ LYS A 567 -12.526 -29.176 10.300 1.00 0.00 N ATOM 0 H LYS A 567 -8.515 -25.419 11.846 1.00 0.00 H new ATOM 0 HA LYS A 567 -9.566 -26.749 14.250 1.00 0.00 H new ATOM 0 HB2 LYS A 567 -10.927 -25.754 12.285 1.00 0.00 H new ATOM 0 HB3 LYS A 567 -10.305 -27.068 11.308 1.00 0.00 H new ATOM 0 HG2 LYS A 567 -11.427 -28.730 12.700 1.00 0.00 H new ATOM 0 HG3 LYS A 567 -11.892 -27.512 13.871 1.00 0.00 H new ATOM 0 HD2 LYS A 567 -13.833 -28.056 12.472 1.00 0.00 H new ATOM 0 HD3 LYS A 567 -13.344 -26.404 12.151 1.00 0.00 H new ATOM 0 HE2 LYS A 567 -13.888 -27.582 10.050 1.00 0.00 H new ATOM 0 HE3 LYS A 567 -12.203 -27.102 10.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 567 -12.592 -29.391 9.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 567 -11.546 -29.314 10.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 567 -13.156 -29.811 10.830 1.00 0.00 H new ATOM 291 N THR A 568 -7.491 -28.192 12.181 1.00 0.00 N ATOM 292 CA THR A 568 -6.638 -29.385 11.993 1.00 0.00 C ATOM 293 C THR A 568 -5.532 -29.446 13.072 1.00 0.00 C ATOM 294 O THR A 568 -5.318 -30.499 13.689 1.00 0.00 O ATOM 295 CB THR A 568 -6.010 -29.420 10.557 1.00 0.00 C ATOM 296 OG1 THR A 568 -7.064 -29.438 9.575 1.00 0.00 O ATOM 297 CG2 THR A 568 -5.100 -30.643 10.331 1.00 0.00 C ATOM 0 H THR A 568 -7.235 -27.402 11.589 1.00 0.00 H new ATOM 0 HA THR A 568 -7.274 -30.264 12.100 1.00 0.00 H new ATOM 0 HB THR A 568 -5.393 -28.527 10.457 1.00 0.00 H new ATOM 0 HG1 THR A 568 -7.311 -28.518 9.343 1.00 0.00 H new ATOM 0 HG21 THR A 568 -4.694 -30.613 9.320 1.00 0.00 H new ATOM 0 HG22 THR A 568 -4.282 -30.626 11.051 1.00 0.00 H new ATOM 0 HG23 THR A 568 -5.679 -31.557 10.462 1.00 0.00 H new ATOM 305 N TYR A 569 -4.833 -28.315 13.297 1.00 0.00 N ATOM 306 CA TYR A 569 -3.750 -28.234 14.301 1.00 0.00 C ATOM 307 C TYR A 569 -4.344 -27.755 15.641 1.00 0.00 C ATOM 308 O TYR A 569 -4.843 -26.621 15.706 1.00 0.00 O ATOM 309 CB TYR A 569 -2.621 -27.271 13.827 1.00 0.00 C ATOM 310 CG TYR A 569 -2.109 -27.559 12.408 1.00 0.00 C ATOM 311 CD1 TYR A 569 -1.698 -28.844 12.034 1.00 0.00 C ATOM 312 CD2 TYR A 569 -2.062 -26.562 11.435 1.00 0.00 C ATOM 313 CE1 TYR A 569 -1.266 -29.117 10.752 1.00 0.00 C ATOM 314 CE2 TYR A 569 -1.636 -26.836 10.143 1.00 0.00 C ATOM 315 CZ TYR A 569 -1.235 -28.113 9.812 1.00 0.00 C ATOM 316 OH TYR A 569 -0.810 -28.389 8.536 1.00 0.00 O ATOM 0 H TYR A 569 -4.999 -27.442 12.796 1.00 0.00 H new ATOM 0 HA TYR A 569 -3.306 -29.221 14.430 1.00 0.00 H new ATOM 0 HB2 TYR A 569 -2.991 -26.246 13.868 1.00 0.00 H new ATOM 0 HB3 TYR A 569 -1.785 -27.336 14.524 1.00 0.00 H new ATOM 0 HD1 TYR A 569 -1.719 -29.639 12.765 1.00 0.00 H new ATOM 0 HD2 TYR A 569 -2.363 -25.557 11.692 1.00 0.00 H new ATOM 0 HE1 TYR A 569 -0.953 -30.116 10.487 1.00 0.00 H new ATOM 0 HE2 TYR A 569 -1.619 -26.052 9.400 1.00 0.00 H new ATOM 0 HH TYR A 569 -0.849 -27.573 7.995 1.00 0.00 H new ATOM 326 N PRO A 570 -4.335 -28.612 16.722 1.00 0.00 N ATOM 327 CA PRO A 570 -4.882 -28.242 18.054 1.00 0.00 C ATOM 328 C PRO A 570 -4.049 -27.149 18.764 1.00 0.00 C ATOM 329 O PRO A 570 -2.864 -26.969 18.467 1.00 0.00 O ATOM 330 CB PRO A 570 -4.847 -29.587 18.858 1.00 0.00 C ATOM 331 CG PRO A 570 -4.641 -30.659 17.824 1.00 0.00 C ATOM 332 CD PRO A 570 -3.820 -30.012 16.732 1.00 0.00 C ATOM 0 HA PRO A 570 -5.880 -27.812 17.972 1.00 0.00 H new ATOM 0 HB2 PRO A 570 -4.040 -29.587 19.591 1.00 0.00 H new ATOM 0 HB3 PRO A 570 -5.776 -29.742 19.406 1.00 0.00 H new ATOM 0 HG2 PRO A 570 -4.123 -31.519 18.248 1.00 0.00 H new ATOM 0 HG3 PRO A 570 -5.594 -31.020 17.437 1.00 0.00 H new ATOM 0 HD2 PRO A 570 -2.753 -30.050 16.951 1.00 0.00 H new ATOM 0 HD3 PRO A 570 -3.965 -30.504 15.770 1.00 0.00 H new ATOM 340 N VAL A 571 -4.689 -26.444 19.720 1.00 0.00 N ATOM 341 CA VAL A 571 -4.016 -25.463 20.612 1.00 0.00 C ATOM 342 C VAL A 571 -2.968 -26.173 21.510 1.00 0.00 C ATOM 343 O VAL A 571 -1.973 -25.572 21.931 1.00 0.00 O ATOM 344 CB VAL A 571 -5.078 -24.689 21.498 1.00 0.00 C ATOM 345 CG1 VAL A 571 -5.916 -25.662 22.371 1.00 0.00 C ATOM 346 CG2 VAL A 571 -4.417 -23.583 22.372 1.00 0.00 C ATOM 0 H VAL A 571 -5.689 -26.536 19.899 1.00 0.00 H new ATOM 0 HA VAL A 571 -3.498 -24.734 19.989 1.00 0.00 H new ATOM 0 HB VAL A 571 -5.758 -24.193 20.806 1.00 0.00 H new ATOM 0 HG11 VAL A 571 -6.633 -25.094 22.964 1.00 0.00 H new ATOM 0 HG12 VAL A 571 -6.451 -26.360 21.727 1.00 0.00 H new ATOM 0 HG13 VAL A 571 -5.254 -26.216 23.036 1.00 0.00 H new ATOM 0 HG21 VAL A 571 -5.183 -23.079 22.962 1.00 0.00 H new ATOM 0 HG22 VAL A 571 -3.684 -24.036 23.040 1.00 0.00 H new ATOM 0 HG23 VAL A 571 -3.921 -22.858 21.727 1.00 0.00 H new ATOM 356 N ASN A 572 -3.209 -27.476 21.757 1.00 0.00 N ATOM 357 CA ASN A 572 -2.322 -28.359 22.543 1.00 0.00 C ATOM 358 C ASN A 572 -0.939 -28.523 21.861 1.00 0.00 C ATOM 359 O ASN A 572 0.037 -28.887 22.525 1.00 0.00 O ATOM 360 CB ASN A 572 -2.994 -29.749 22.729 1.00 0.00 C ATOM 361 CG ASN A 572 -4.406 -29.655 23.312 1.00 0.00 C ATOM 362 OD1 ASN A 572 -5.382 -29.511 22.575 1.00 0.00 O ATOM 363 ND2 ASN A 572 -4.528 -29.714 24.632 1.00 0.00 N ATOM 0 H ASN A 572 -4.041 -27.954 21.410 1.00 0.00 H new ATOM 0 HA ASN A 572 -2.161 -27.899 23.518 1.00 0.00 H new ATOM 0 HB2 ASN A 572 -3.037 -30.258 21.766 1.00 0.00 H new ATOM 0 HB3 ASN A 572 -2.375 -30.361 23.385 1.00 0.00 H new ATOM 0 HD21 ASN A 572 -5.450 -29.639 25.063 1.00 0.00 H new ATOM 0 HD22 ASN A 572 -3.700 -29.834 25.216 1.00 0.00 H new ATOM 370 N THR A 573 -0.878 -28.280 20.534 1.00 0.00 N ATOM 371 CA THR A 573 0.380 -28.284 19.768 1.00 0.00 C ATOM 372 C THR A 573 1.160 -26.961 20.022 1.00 0.00 C ATOM 373 O THR A 573 0.650 -25.883 19.697 1.00 0.00 O ATOM 374 CB THR A 573 0.101 -28.440 18.231 1.00 0.00 C ATOM 375 OG1 THR A 573 -0.718 -29.596 17.999 1.00 0.00 O ATOM 376 CG2 THR A 573 1.399 -28.573 17.412 1.00 0.00 C ATOM 0 H THR A 573 -1.701 -28.076 19.967 1.00 0.00 H new ATOM 0 HA THR A 573 0.978 -29.132 20.101 1.00 0.00 H new ATOM 0 HB THR A 573 -0.412 -27.536 17.905 1.00 0.00 H new ATOM 0 HG1 THR A 573 -0.632 -29.876 17.064 1.00 0.00 H new ATOM 0 HG21 THR A 573 1.153 -28.678 16.355 1.00 0.00 H new ATOM 0 HG22 THR A 573 2.012 -27.683 17.555 1.00 0.00 H new ATOM 0 HG23 THR A 573 1.951 -29.452 17.745 1.00 0.00 H new ATOM 384 N PRO A 574 2.397 -27.016 20.627 1.00 0.00 N ATOM 385 CA PRO A 574 3.274 -25.818 20.801 1.00 0.00 C ATOM 386 C PRO A 574 3.766 -25.228 19.455 1.00 0.00 C ATOM 387 O PRO A 574 4.235 -24.085 19.390 1.00 0.00 O ATOM 388 CB PRO A 574 4.463 -26.355 21.654 1.00 0.00 C ATOM 389 CG PRO A 574 3.948 -27.621 22.268 1.00 0.00 C ATOM 390 CD PRO A 574 3.026 -28.220 21.235 1.00 0.00 C ATOM 0 HA PRO A 574 2.741 -24.992 21.273 1.00 0.00 H new ATOM 0 HB2 PRO A 574 5.341 -26.543 21.036 1.00 0.00 H new ATOM 0 HB3 PRO A 574 4.759 -25.636 22.418 1.00 0.00 H new ATOM 0 HG2 PRO A 574 4.765 -28.302 22.508 1.00 0.00 H new ATOM 0 HG3 PRO A 574 3.417 -27.419 23.198 1.00 0.00 H new ATOM 0 HD2 PRO A 574 3.571 -28.809 20.498 1.00 0.00 H new ATOM 0 HD3 PRO A 574 2.286 -28.880 21.686 1.00 0.00 H new ATOM 398 N GLU A 575 3.678 -26.037 18.385 1.00 0.00 N ATOM 399 CA GLU A 575 4.065 -25.638 17.016 1.00 0.00 C ATOM 400 C GLU A 575 2.824 -25.442 16.121 1.00 0.00 C ATOM 401 O GLU A 575 2.932 -25.535 14.894 1.00 0.00 O ATOM 402 CB GLU A 575 5.017 -26.707 16.414 1.00 0.00 C ATOM 403 CG GLU A 575 6.332 -26.890 17.195 1.00 0.00 C ATOM 404 CD GLU A 575 7.248 -27.970 16.596 1.00 0.00 C ATOM 405 OE1 GLU A 575 6.998 -29.171 16.834 1.00 0.00 O ATOM 406 OE2 GLU A 575 8.212 -27.624 15.880 1.00 0.00 O ATOM 0 H GLU A 575 3.333 -26.995 18.444 1.00 0.00 H new ATOM 0 HA GLU A 575 4.586 -24.682 17.064 1.00 0.00 H new ATOM 0 HB2 GLU A 575 4.494 -27.663 16.375 1.00 0.00 H new ATOM 0 HB3 GLU A 575 5.253 -26.430 15.386 1.00 0.00 H new ATOM 0 HG2 GLU A 575 6.868 -25.941 17.219 1.00 0.00 H new ATOM 0 HG3 GLU A 575 6.100 -27.151 18.228 1.00 0.00 H new ATOM 413 N ARG A 576 1.657 -25.147 16.744 1.00 0.00 N ATOM 414 CA ARG A 576 0.375 -24.945 16.020 1.00 0.00 C ATOM 415 C ARG A 576 0.527 -23.847 14.955 1.00 0.00 C ATOM 416 O ARG A 576 0.412 -24.110 13.763 1.00 0.00 O ATOM 417 CB ARG A 576 -0.766 -24.544 16.997 1.00 0.00 C ATOM 418 CG ARG A 576 -2.182 -24.478 16.356 1.00 0.00 C ATOM 419 CD ARG A 576 -3.179 -23.664 17.195 1.00 0.00 C ATOM 420 NE ARG A 576 -4.590 -23.876 16.799 1.00 0.00 N ATOM 421 CZ ARG A 576 -5.642 -23.294 17.396 1.00 0.00 C ATOM 422 NH1 ARG A 576 -5.467 -22.397 18.362 1.00 0.00 N ATOM 423 NH2 ARG A 576 -6.872 -23.614 17.026 1.00 0.00 N ATOM 0 H ARG A 576 1.576 -25.043 17.755 1.00 0.00 H new ATOM 0 HA ARG A 576 0.118 -25.890 15.542 1.00 0.00 H new ATOM 0 HB2 ARG A 576 -0.788 -25.258 17.820 1.00 0.00 H new ATOM 0 HB3 ARG A 576 -0.532 -23.570 17.427 1.00 0.00 H new ATOM 0 HG2 ARG A 576 -2.106 -24.037 15.362 1.00 0.00 H new ATOM 0 HG3 ARG A 576 -2.565 -25.490 16.227 1.00 0.00 H new ATOM 0 HD2 ARG A 576 -3.060 -23.929 18.246 1.00 0.00 H new ATOM 0 HD3 ARG A 576 -2.939 -22.605 17.105 1.00 0.00 H new ATOM 0 HE ARG A 576 -4.775 -24.507 16.019 1.00 0.00 H new ATOM 0 HH11 ARG A 576 -4.524 -22.143 18.658 1.00 0.00 H new ATOM 0 HH12 ARG A 576 -6.275 -21.963 18.807 1.00 0.00 H new ATOM 0 HH21 ARG A 576 -7.020 -24.302 16.288 1.00 0.00 H new ATOM 0 HH22 ARG A 576 -7.672 -23.172 17.479 1.00 0.00 H new ATOM 437 N TRP A 577 0.871 -22.634 15.425 1.00 0.00 N ATOM 438 CA TRP A 577 1.011 -21.429 14.583 1.00 0.00 C ATOM 439 C TRP A 577 2.171 -21.563 13.567 1.00 0.00 C ATOM 440 O TRP A 577 2.143 -20.935 12.502 1.00 0.00 O ATOM 441 CB TRP A 577 1.196 -20.177 15.488 1.00 0.00 C ATOM 442 CG TRP A 577 0.081 -19.987 16.503 1.00 0.00 C ATOM 443 CD1 TRP A 577 0.159 -20.139 17.864 1.00 0.00 C ATOM 444 CD2 TRP A 577 -1.284 -19.631 16.229 1.00 0.00 C ATOM 445 NE1 TRP A 577 -1.062 -19.901 18.441 1.00 0.00 N ATOM 446 CE2 TRP A 577 -1.966 -19.598 17.458 1.00 0.00 C ATOM 447 CE3 TRP A 577 -1.993 -19.352 15.065 1.00 0.00 C ATOM 448 CZ2 TRP A 577 -3.322 -19.285 17.548 1.00 0.00 C ATOM 449 CZ3 TRP A 577 -3.331 -19.039 15.159 1.00 0.00 C ATOM 450 CH2 TRP A 577 -3.988 -19.019 16.390 1.00 0.00 C ATOM 0 H TRP A 577 1.062 -22.460 16.412 1.00 0.00 H new ATOM 0 HA TRP A 577 0.098 -21.313 13.998 1.00 0.00 H new ATOM 0 HB2 TRP A 577 2.146 -20.259 16.016 1.00 0.00 H new ATOM 0 HB3 TRP A 577 1.257 -19.290 14.858 1.00 0.00 H new ATOM 0 HD1 TRP A 577 1.055 -20.408 18.404 1.00 0.00 H new ATOM 0 HE1 TRP A 577 -1.264 -19.943 19.440 1.00 0.00 H new ATOM 0 HE3 TRP A 577 -1.502 -19.380 14.103 1.00 0.00 H new ATOM 0 HZ2 TRP A 577 -3.826 -19.255 18.502 1.00 0.00 H new ATOM 0 HZ3 TRP A 577 -3.883 -18.804 14.261 1.00 0.00 H new ATOM 0 HH2 TRP A 577 -5.043 -18.789 16.425 1.00 0.00 H new ATOM 461 N LYS A 578 3.158 -22.417 13.902 1.00 0.00 N ATOM 462 CA LYS A 578 4.319 -22.720 13.034 1.00 0.00 C ATOM 463 C LYS A 578 3.860 -23.566 11.821 1.00 0.00 C ATOM 464 O LYS A 578 4.314 -23.354 10.695 1.00 0.00 O ATOM 465 CB LYS A 578 5.434 -23.476 13.826 1.00 0.00 C ATOM 466 CG LYS A 578 6.206 -22.648 14.897 1.00 0.00 C ATOM 467 CD LYS A 578 5.324 -22.143 16.068 1.00 0.00 C ATOM 468 CE LYS A 578 6.129 -21.462 17.191 1.00 0.00 C ATOM 469 NZ LYS A 578 6.891 -20.277 16.717 1.00 0.00 N ATOM 0 H LYS A 578 3.174 -22.921 14.789 1.00 0.00 H new ATOM 0 HA LYS A 578 4.738 -21.778 12.681 1.00 0.00 H new ATOM 0 HB2 LYS A 578 4.979 -24.335 14.320 1.00 0.00 H new ATOM 0 HB3 LYS A 578 6.157 -23.866 13.110 1.00 0.00 H new ATOM 0 HG2 LYS A 578 7.012 -23.260 15.302 1.00 0.00 H new ATOM 0 HG3 LYS A 578 6.671 -21.790 14.411 1.00 0.00 H new ATOM 0 HD2 LYS A 578 4.587 -21.439 15.681 1.00 0.00 H new ATOM 0 HD3 LYS A 578 4.772 -22.985 16.486 1.00 0.00 H new ATOM 0 HE2 LYS A 578 5.448 -21.156 17.986 1.00 0.00 H new ATOM 0 HE3 LYS A 578 6.821 -22.184 17.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 578 7.413 -19.859 17.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 578 7.562 -20.569 15.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 578 6.232 -19.573 16.328 1.00 0.00 H new ATOM 483 N LYS A 579 2.940 -24.513 12.080 1.00 0.00 N ATOM 484 CA LYS A 579 2.317 -25.356 11.035 1.00 0.00 C ATOM 485 C LYS A 579 1.265 -24.556 10.247 1.00 0.00 C ATOM 486 O LYS A 579 0.991 -24.851 9.079 1.00 0.00 O ATOM 487 CB LYS A 579 1.680 -26.612 11.685 1.00 0.00 C ATOM 488 CG LYS A 579 2.699 -27.604 12.285 1.00 0.00 C ATOM 489 CD LYS A 579 2.016 -28.774 13.036 1.00 0.00 C ATOM 490 CE LYS A 579 3.018 -29.861 13.477 1.00 0.00 C ATOM 491 NZ LYS A 579 3.665 -30.522 12.311 1.00 0.00 N ATOM 0 H LYS A 579 2.605 -24.718 13.021 1.00 0.00 H new ATOM 0 HA LYS A 579 3.088 -25.676 10.334 1.00 0.00 H new ATOM 0 HB2 LYS A 579 0.996 -26.292 12.471 1.00 0.00 H new ATOM 0 HB3 LYS A 579 1.083 -27.132 10.935 1.00 0.00 H new ATOM 0 HG2 LYS A 579 3.324 -28.004 11.487 1.00 0.00 H new ATOM 0 HG3 LYS A 579 3.359 -27.072 12.971 1.00 0.00 H new ATOM 0 HD2 LYS A 579 1.498 -28.385 13.913 1.00 0.00 H new ATOM 0 HD3 LYS A 579 1.260 -29.222 12.392 1.00 0.00 H new ATOM 0 HE2 LYS A 579 3.783 -29.414 14.112 1.00 0.00 H new ATOM 0 HE3 LYS A 579 2.501 -30.609 14.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 579 4.142 -31.391 12.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 579 2.942 -30.761 11.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 579 4.363 -29.877 11.889 1.00 0.00 H new ATOM 505 N ILE A 580 0.673 -23.549 10.912 1.00 0.00 N ATOM 506 CA ILE A 580 -0.278 -22.608 10.290 1.00 0.00 C ATOM 507 C ILE A 580 0.462 -21.662 9.312 1.00 0.00 C ATOM 508 O ILE A 580 -0.117 -21.206 8.334 1.00 0.00 O ATOM 509 CB ILE A 580 -1.079 -21.812 11.404 1.00 0.00 C ATOM 510 CG1 ILE A 580 -1.984 -22.804 12.220 1.00 0.00 C ATOM 511 CG2 ILE A 580 -1.908 -20.644 10.823 1.00 0.00 C ATOM 512 CD1 ILE A 580 -2.859 -22.193 13.297 1.00 0.00 C ATOM 0 H ILE A 580 0.841 -23.363 11.901 1.00 0.00 H new ATOM 0 HA ILE A 580 -1.008 -23.170 9.707 1.00 0.00 H new ATOM 0 HB ILE A 580 -0.350 -21.359 12.075 1.00 0.00 H new ATOM 0 HG12 ILE A 580 -2.628 -23.334 11.518 1.00 0.00 H new ATOM 0 HG13 ILE A 580 -1.339 -23.549 12.686 1.00 0.00 H new ATOM 0 HG21 ILE A 580 -2.435 -20.135 11.630 1.00 0.00 H new ATOM 0 HG22 ILE A 580 -1.243 -19.940 10.323 1.00 0.00 H new ATOM 0 HG23 ILE A 580 -2.631 -21.032 10.106 1.00 0.00 H new ATOM 0 HD11 ILE A 580 -3.434 -22.978 13.787 1.00 0.00 H new ATOM 0 HD12 ILE A 580 -2.232 -21.689 14.033 1.00 0.00 H new ATOM 0 HD13 ILE A 580 -3.541 -21.472 12.846 1.00 0.00 H new ATOM 524 N ALA A 581 1.756 -21.384 9.589 1.00 0.00 N ATOM 525 CA ALA A 581 2.650 -20.649 8.651 1.00 0.00 C ATOM 526 C ALA A 581 2.816 -21.398 7.315 1.00 0.00 C ATOM 527 O ALA A 581 2.969 -20.783 6.256 1.00 0.00 O ATOM 528 CB ALA A 581 4.028 -20.417 9.297 1.00 0.00 C ATOM 0 H ALA A 581 2.212 -21.658 10.460 1.00 0.00 H new ATOM 0 HA ALA A 581 2.183 -19.687 8.440 1.00 0.00 H new ATOM 0 HB1 ALA A 581 4.671 -19.879 8.600 1.00 0.00 H new ATOM 0 HB2 ALA A 581 3.909 -19.830 10.208 1.00 0.00 H new ATOM 0 HB3 ALA A 581 4.482 -21.378 9.541 1.00 0.00 H new ATOM 534 N GLU A 582 2.795 -22.731 7.394 1.00 0.00 N ATOM 535 CA GLU A 582 2.966 -23.619 6.235 1.00 0.00 C ATOM 536 C GLU A 582 1.651 -23.732 5.444 1.00 0.00 C ATOM 537 O GLU A 582 1.645 -23.657 4.214 1.00 0.00 O ATOM 538 CB GLU A 582 3.433 -25.010 6.729 1.00 0.00 C ATOM 539 CG GLU A 582 4.735 -24.988 7.552 1.00 0.00 C ATOM 540 CD GLU A 582 5.162 -26.384 8.028 1.00 0.00 C ATOM 541 OE1 GLU A 582 5.835 -27.111 7.261 1.00 0.00 O ATOM 542 OE2 GLU A 582 4.814 -26.761 9.161 1.00 0.00 O ATOM 0 H GLU A 582 2.658 -23.232 8.272 1.00 0.00 H new ATOM 0 HA GLU A 582 3.720 -23.204 5.566 1.00 0.00 H new ATOM 0 HB2 GLU A 582 2.642 -25.452 7.335 1.00 0.00 H new ATOM 0 HB3 GLU A 582 3.574 -25.660 5.866 1.00 0.00 H new ATOM 0 HG2 GLU A 582 5.533 -24.555 6.949 1.00 0.00 H new ATOM 0 HG3 GLU A 582 4.601 -24.339 8.418 1.00 0.00 H new ATOM 549 N ALA A 583 0.536 -23.903 6.181 1.00 0.00 N ATOM 550 CA ALA A 583 -0.814 -24.028 5.592 1.00 0.00 C ATOM 551 C ALA A 583 -1.325 -22.682 5.034 1.00 0.00 C ATOM 552 O ALA A 583 -2.191 -22.663 4.151 1.00 0.00 O ATOM 553 CB ALA A 583 -1.788 -24.600 6.637 1.00 0.00 C ATOM 0 H ALA A 583 0.544 -23.958 7.199 1.00 0.00 H new ATOM 0 HA ALA A 583 -0.754 -24.716 4.749 1.00 0.00 H new ATOM 0 HB1 ALA A 583 -2.781 -24.690 6.198 1.00 0.00 H new ATOM 0 HB2 ALA A 583 -1.442 -25.583 6.957 1.00 0.00 H new ATOM 0 HB3 ALA A 583 -1.831 -23.933 7.498 1.00 0.00 H new ATOM 559 N VAL A 584 -0.785 -21.561 5.555 1.00 0.00 N ATOM 560 CA VAL A 584 -1.171 -20.199 5.134 1.00 0.00 C ATOM 561 C VAL A 584 0.086 -19.413 4.680 1.00 0.00 C ATOM 562 O VAL A 584 0.880 -18.990 5.532 1.00 0.00 O ATOM 563 CB VAL A 584 -1.873 -19.396 6.294 1.00 0.00 C ATOM 564 CG1 VAL A 584 -2.456 -18.077 5.765 1.00 0.00 C ATOM 565 CG2 VAL A 584 -2.955 -20.230 7.010 1.00 0.00 C ATOM 0 H VAL A 584 -0.068 -21.575 6.280 1.00 0.00 H new ATOM 0 HA VAL A 584 -1.878 -20.305 4.312 1.00 0.00 H new ATOM 0 HB VAL A 584 -1.108 -19.165 7.036 1.00 0.00 H new ATOM 0 HG11 VAL A 584 -2.936 -17.538 6.582 1.00 0.00 H new ATOM 0 HG12 VAL A 584 -1.655 -17.466 5.349 1.00 0.00 H new ATOM 0 HG13 VAL A 584 -3.191 -18.290 4.989 1.00 0.00 H new ATOM 0 HG21 VAL A 584 -3.410 -19.634 7.801 1.00 0.00 H new ATOM 0 HG22 VAL A 584 -3.721 -20.526 6.293 1.00 0.00 H new ATOM 0 HG23 VAL A 584 -2.500 -21.121 7.443 1.00 0.00 H new ATOM 575 N PRO A 585 0.305 -19.220 3.343 1.00 0.00 N ATOM 576 CA PRO A 585 1.438 -18.416 2.826 1.00 0.00 C ATOM 577 C PRO A 585 1.166 -16.891 2.892 1.00 0.00 C ATOM 578 O PRO A 585 0.020 -16.436 2.764 1.00 0.00 O ATOM 579 CB PRO A 585 1.564 -18.913 1.362 1.00 0.00 C ATOM 580 CG PRO A 585 0.160 -19.273 0.964 1.00 0.00 C ATOM 581 CD PRO A 585 -0.516 -19.784 2.231 1.00 0.00 C ATOM 0 HA PRO A 585 2.348 -18.544 3.412 1.00 0.00 H new ATOM 0 HB2 PRO A 585 1.974 -18.138 0.714 1.00 0.00 H new ATOM 0 HB3 PRO A 585 2.230 -19.773 1.291 1.00 0.00 H new ATOM 0 HG2 PRO A 585 -0.366 -18.407 0.563 1.00 0.00 H new ATOM 0 HG3 PRO A 585 0.158 -20.036 0.186 1.00 0.00 H new ATOM 0 HD2 PRO A 585 -1.551 -19.449 2.292 1.00 0.00 H new ATOM 0 HD3 PRO A 585 -0.531 -20.873 2.261 1.00 0.00 H new ATOM 589 N GLY A 586 2.236 -16.115 3.147 1.00 0.00 N ATOM 590 CA GLY A 586 2.194 -14.649 3.055 1.00 0.00 C ATOM 591 C GLY A 586 1.726 -13.933 4.323 1.00 0.00 C ATOM 592 O GLY A 586 1.993 -12.737 4.487 1.00 0.00 O ATOM 0 H GLY A 586 3.146 -16.486 3.420 1.00 0.00 H new ATOM 0 HA2 GLY A 586 3.190 -14.288 2.799 1.00 0.00 H new ATOM 0 HA3 GLY A 586 1.533 -14.371 2.234 1.00 0.00 H new ATOM 596 N ARG A 587 1.028 -14.649 5.220 1.00 0.00 N ATOM 597 CA ARG A 587 0.445 -14.057 6.452 1.00 0.00 C ATOM 598 C ARG A 587 1.338 -14.353 7.664 1.00 0.00 C ATOM 599 O ARG A 587 1.873 -15.463 7.777 1.00 0.00 O ATOM 600 CB ARG A 587 -0.981 -14.623 6.688 1.00 0.00 C ATOM 601 CG ARG A 587 -1.920 -14.508 5.469 1.00 0.00 C ATOM 602 CD ARG A 587 -2.227 -13.064 5.042 1.00 0.00 C ATOM 603 NE ARG A 587 -2.938 -13.045 3.749 1.00 0.00 N ATOM 604 CZ ARG A 587 -2.679 -12.222 2.725 1.00 0.00 C ATOM 605 NH1 ARG A 587 -1.825 -11.208 2.849 1.00 0.00 N ATOM 606 NH2 ARG A 587 -3.294 -12.416 1.572 1.00 0.00 N ATOM 0 H ARG A 587 0.849 -15.648 5.120 1.00 0.00 H new ATOM 0 HA ARG A 587 0.382 -12.976 6.324 1.00 0.00 H new ATOM 0 HB2 ARG A 587 -0.900 -15.672 6.972 1.00 0.00 H new ATOM 0 HB3 ARG A 587 -1.432 -14.099 7.530 1.00 0.00 H new ATOM 0 HG2 ARG A 587 -1.471 -15.036 4.628 1.00 0.00 H new ATOM 0 HG3 ARG A 587 -2.858 -15.014 5.698 1.00 0.00 H new ATOM 0 HD2 ARG A 587 -2.834 -12.575 5.804 1.00 0.00 H new ATOM 0 HD3 ARG A 587 -1.299 -12.498 4.961 1.00 0.00 H new ATOM 0 HE ARG A 587 -3.694 -13.719 3.624 1.00 0.00 H new ATOM 0 HH11 ARG A 587 -1.352 -11.045 3.738 1.00 0.00 H new ATOM 0 HH12 ARG A 587 -1.643 -10.594 2.055 1.00 0.00 H new ATOM 0 HH21 ARG A 587 -3.956 -13.185 1.470 1.00 0.00 H new ATOM 0 HH22 ARG A 587 -3.106 -11.797 0.783 1.00 0.00 H new ATOM 620 N THR A 588 1.482 -13.368 8.580 1.00 0.00 N ATOM 621 CA THR A 588 2.316 -13.527 9.781 1.00 0.00 C ATOM 622 C THR A 588 1.475 -14.069 10.948 1.00 0.00 C ATOM 623 O THR A 588 0.238 -13.962 10.951 1.00 0.00 O ATOM 624 CB THR A 588 3.043 -12.201 10.195 1.00 0.00 C ATOM 625 OG1 THR A 588 2.102 -11.226 10.611 1.00 0.00 O ATOM 626 CG2 THR A 588 3.898 -11.619 9.054 1.00 0.00 C ATOM 0 H THR A 588 1.029 -12.457 8.505 1.00 0.00 H new ATOM 0 HA THR A 588 3.095 -14.248 9.533 1.00 0.00 H new ATOM 0 HB THR A 588 3.707 -12.456 11.021 1.00 0.00 H new ATOM 0 HG1 THR A 588 1.255 -11.366 10.138 1.00 0.00 H new ATOM 0 HG21 THR A 588 4.380 -10.702 9.392 1.00 0.00 H new ATOM 0 HG22 THR A 588 4.659 -12.343 8.764 1.00 0.00 H new ATOM 0 HG23 THR A 588 3.261 -11.400 8.197 1.00 0.00 H new ATOM 634 N LYS A 589 2.160 -14.679 11.925 1.00 0.00 N ATOM 635 CA LYS A 589 1.515 -15.401 13.039 1.00 0.00 C ATOM 636 C LYS A 589 0.750 -14.483 13.999 1.00 0.00 C ATOM 637 O LYS A 589 -0.206 -14.938 14.624 1.00 0.00 O ATOM 638 CB LYS A 589 2.565 -16.266 13.787 1.00 0.00 C ATOM 639 CG LYS A 589 2.768 -17.706 13.235 1.00 0.00 C ATOM 640 CD LYS A 589 3.161 -17.805 11.730 1.00 0.00 C ATOM 641 CE LYS A 589 1.962 -17.756 10.742 1.00 0.00 C ATOM 642 NZ LYS A 589 0.927 -18.779 11.051 1.00 0.00 N ATOM 0 H LYS A 589 3.179 -14.688 11.968 1.00 0.00 H new ATOM 0 HA LYS A 589 0.759 -16.055 12.604 1.00 0.00 H new ATOM 0 HB2 LYS A 589 3.523 -15.747 13.758 1.00 0.00 H new ATOM 0 HB3 LYS A 589 2.272 -16.336 14.834 1.00 0.00 H new ATOM 0 HG2 LYS A 589 3.542 -18.196 13.826 1.00 0.00 H new ATOM 0 HG3 LYS A 589 1.846 -18.267 13.388 1.00 0.00 H new ATOM 0 HD2 LYS A 589 3.844 -16.989 11.492 1.00 0.00 H new ATOM 0 HD3 LYS A 589 3.707 -18.735 11.571 1.00 0.00 H new ATOM 0 HE2 LYS A 589 1.509 -16.765 10.774 1.00 0.00 H new ATOM 0 HE3 LYS A 589 2.326 -17.908 9.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 589 0.703 -19.318 10.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 589 1.286 -19.427 11.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 589 0.067 -18.309 11.398 1.00 0.00 H new ATOM 656 N LYS A 590 1.152 -13.205 14.092 1.00 0.00 N ATOM 657 CA LYS A 590 0.442 -12.209 14.915 1.00 0.00 C ATOM 658 C LYS A 590 -0.992 -11.998 14.389 1.00 0.00 C ATOM 659 O LYS A 590 -1.934 -11.843 15.171 1.00 0.00 O ATOM 660 CB LYS A 590 1.210 -10.858 14.945 1.00 0.00 C ATOM 661 CG LYS A 590 1.450 -10.213 13.558 1.00 0.00 C ATOM 662 CD LYS A 590 2.249 -8.880 13.605 1.00 0.00 C ATOM 663 CE LYS A 590 3.700 -9.027 14.126 1.00 0.00 C ATOM 664 NZ LYS A 590 3.770 -9.220 15.606 1.00 0.00 N ATOM 0 H LYS A 590 1.969 -12.835 13.605 1.00 0.00 H new ATOM 0 HA LYS A 590 0.389 -12.592 15.934 1.00 0.00 H new ATOM 0 HB2 LYS A 590 0.654 -10.155 15.565 1.00 0.00 H new ATOM 0 HB3 LYS A 590 2.174 -11.016 15.428 1.00 0.00 H new ATOM 0 HG2 LYS A 590 1.986 -10.923 12.927 1.00 0.00 H new ATOM 0 HG3 LYS A 590 0.486 -10.029 13.083 1.00 0.00 H new ATOM 0 HD2 LYS A 590 2.276 -8.450 12.604 1.00 0.00 H new ATOM 0 HD3 LYS A 590 1.717 -8.173 14.241 1.00 0.00 H new ATOM 0 HE2 LYS A 590 4.174 -9.875 13.631 1.00 0.00 H new ATOM 0 HE3 LYS A 590 4.270 -8.139 13.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 590 4.456 -8.552 16.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 590 2.833 -9.050 16.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 590 4.070 -10.193 15.815 1.00 0.00 H new ATOM 678 N ASP A 591 -1.131 -12.036 13.049 1.00 0.00 N ATOM 679 CA ASP A 591 -2.424 -11.908 12.357 1.00 0.00 C ATOM 680 C ASP A 591 -3.254 -13.180 12.522 1.00 0.00 C ATOM 681 O ASP A 591 -4.473 -13.111 12.629 1.00 0.00 O ATOM 682 CB ASP A 591 -2.206 -11.615 10.856 1.00 0.00 C ATOM 683 CG ASP A 591 -1.618 -10.227 10.607 1.00 0.00 C ATOM 684 OD1 ASP A 591 -2.380 -9.246 10.630 1.00 0.00 O ATOM 685 OD2 ASP A 591 -0.404 -10.115 10.383 1.00 0.00 O ATOM 0 H ASP A 591 -0.342 -12.157 12.414 1.00 0.00 H new ATOM 0 HA ASP A 591 -2.967 -11.076 12.806 1.00 0.00 H new ATOM 0 HB2 ASP A 591 -1.540 -12.368 10.436 1.00 0.00 H new ATOM 0 HB3 ASP A 591 -3.157 -11.702 10.331 1.00 0.00 H new ATOM 690 N CYS A 592 -2.569 -14.338 12.517 1.00 0.00 N ATOM 691 CA CYS A 592 -3.207 -15.660 12.692 1.00 0.00 C ATOM 692 C CYS A 592 -3.844 -15.781 14.088 1.00 0.00 C ATOM 693 O CYS A 592 -4.967 -16.284 14.237 1.00 0.00 O ATOM 694 CB CYS A 592 -2.165 -16.779 12.462 1.00 0.00 C ATOM 695 SG CYS A 592 -1.360 -16.720 10.844 1.00 0.00 S ATOM 0 H CYS A 592 -1.558 -14.386 12.392 1.00 0.00 H new ATOM 0 HA CYS A 592 -4.003 -15.766 11.955 1.00 0.00 H new ATOM 0 HB2 CYS A 592 -1.402 -16.715 13.238 1.00 0.00 H new ATOM 0 HB3 CYS A 592 -2.655 -17.746 12.577 1.00 0.00 H new ATOM 0 HG CYS A 592 -0.663 -15.627 10.746 1.00 0.00 H new ATOM 701 N MET A 593 -3.101 -15.289 15.101 1.00 0.00 N ATOM 702 CA MET A 593 -3.527 -15.306 16.511 1.00 0.00 C ATOM 703 C MET A 593 -4.680 -14.319 16.729 1.00 0.00 C ATOM 704 O MET A 593 -5.695 -14.678 17.317 1.00 0.00 O ATOM 705 CB MET A 593 -2.335 -14.964 17.444 1.00 0.00 C ATOM 706 CG MET A 593 -1.179 -15.968 17.385 1.00 0.00 C ATOM 707 SD MET A 593 0.272 -15.407 18.299 1.00 0.00 S ATOM 708 CE MET A 593 1.550 -16.464 17.622 1.00 0.00 C ATOM 0 H MET A 593 -2.183 -14.867 14.960 1.00 0.00 H new ATOM 0 HA MET A 593 -3.877 -16.309 16.756 1.00 0.00 H new ATOM 0 HB2 MET A 593 -1.956 -13.976 17.183 1.00 0.00 H new ATOM 0 HB3 MET A 593 -2.697 -14.905 18.470 1.00 0.00 H new ATOM 0 HG2 MET A 593 -1.512 -16.924 17.789 1.00 0.00 H new ATOM 0 HG3 MET A 593 -0.904 -16.140 16.344 1.00 0.00 H new ATOM 0 HE1 MET A 593 2.028 -17.019 18.429 1.00 0.00 H new ATOM 0 HE2 MET A 593 1.106 -17.163 16.914 1.00 0.00 H new ATOM 0 HE3 MET A 593 2.294 -15.853 17.111 1.00 0.00 H new ATOM 718 N LYS A 594 -4.508 -13.088 16.210 1.00 0.00 N ATOM 719 CA LYS A 594 -5.500 -12.002 16.345 1.00 0.00 C ATOM 720 C LYS A 594 -6.840 -12.384 15.696 1.00 0.00 C ATOM 721 O LYS A 594 -7.896 -12.154 16.276 1.00 0.00 O ATOM 722 CB LYS A 594 -4.964 -10.679 15.724 1.00 0.00 C ATOM 723 CG LYS A 594 -5.981 -9.507 15.736 1.00 0.00 C ATOM 724 CD LYS A 594 -5.386 -8.166 15.244 1.00 0.00 C ATOM 725 CE LYS A 594 -4.294 -7.615 16.180 1.00 0.00 C ATOM 726 NZ LYS A 594 -4.812 -7.324 17.548 1.00 0.00 N ATOM 0 H LYS A 594 -3.677 -12.818 15.685 1.00 0.00 H new ATOM 0 HA LYS A 594 -5.668 -11.846 17.411 1.00 0.00 H new ATOM 0 HB2 LYS A 594 -4.070 -10.373 16.267 1.00 0.00 H new ATOM 0 HB3 LYS A 594 -4.662 -10.871 14.695 1.00 0.00 H new ATOM 0 HG2 LYS A 594 -6.832 -9.769 15.108 1.00 0.00 H new ATOM 0 HG3 LYS A 594 -6.361 -9.377 16.749 1.00 0.00 H new ATOM 0 HD2 LYS A 594 -4.967 -8.304 14.247 1.00 0.00 H new ATOM 0 HD3 LYS A 594 -6.186 -7.431 15.155 1.00 0.00 H new ATOM 0 HE2 LYS A 594 -3.480 -8.337 16.249 1.00 0.00 H new ATOM 0 HE3 LYS A 594 -3.877 -6.704 15.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 594 -4.086 -6.816 18.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 594 -5.667 -6.736 17.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 594 -5.045 -8.217 18.028 1.00 0.00 H new ATOM 740 N ARG A 595 -6.772 -12.988 14.503 1.00 0.00 N ATOM 741 CA ARG A 595 -7.966 -13.346 13.727 1.00 0.00 C ATOM 742 C ARG A 595 -8.779 -14.439 14.475 1.00 0.00 C ATOM 743 O ARG A 595 -9.999 -14.306 14.636 1.00 0.00 O ATOM 744 CB ARG A 595 -7.544 -13.774 12.283 1.00 0.00 C ATOM 745 CG ARG A 595 -8.677 -13.810 11.219 1.00 0.00 C ATOM 746 CD ARG A 595 -9.592 -15.028 11.343 1.00 0.00 C ATOM 747 NE ARG A 595 -10.802 -14.929 10.523 1.00 0.00 N ATOM 748 CZ ARG A 595 -11.523 -15.980 10.133 1.00 0.00 C ATOM 749 NH1 ARG A 595 -11.013 -17.198 10.183 1.00 0.00 N ATOM 750 NH2 ARG A 595 -12.740 -15.815 9.653 1.00 0.00 N ATOM 0 H ARG A 595 -5.893 -13.241 14.051 1.00 0.00 H new ATOM 0 HA ARG A 595 -8.625 -12.483 13.625 1.00 0.00 H new ATOM 0 HB2 ARG A 595 -6.769 -13.090 11.936 1.00 0.00 H new ATOM 0 HB3 ARG A 595 -7.093 -14.765 12.337 1.00 0.00 H new ATOM 0 HG2 ARG A 595 -9.277 -12.904 11.308 1.00 0.00 H new ATOM 0 HG3 ARG A 595 -8.231 -13.800 10.224 1.00 0.00 H new ATOM 0 HD2 ARG A 595 -9.038 -15.921 11.054 1.00 0.00 H new ATOM 0 HD3 ARG A 595 -9.878 -15.154 12.387 1.00 0.00 H new ATOM 0 HE ARG A 595 -11.111 -14.001 10.233 1.00 0.00 H new ATOM 0 HH11 ARG A 595 -10.061 -17.339 10.522 1.00 0.00 H new ATOM 0 HH12 ARG A 595 -11.571 -17.997 9.883 1.00 0.00 H new ATOM 0 HH21 ARG A 595 -13.136 -14.878 9.578 1.00 0.00 H new ATOM 0 HH22 ARG A 595 -13.285 -16.624 9.357 1.00 0.00 H new ATOM 764 N TYR A 596 -8.084 -15.494 14.947 1.00 0.00 N ATOM 765 CA TYR A 596 -8.714 -16.596 15.719 1.00 0.00 C ATOM 766 C TYR A 596 -9.277 -16.084 17.062 1.00 0.00 C ATOM 767 O TYR A 596 -10.337 -16.529 17.514 1.00 0.00 O ATOM 768 CB TYR A 596 -7.694 -17.734 15.957 1.00 0.00 C ATOM 769 CG TYR A 596 -8.220 -18.917 16.799 1.00 0.00 C ATOM 770 CD1 TYR A 596 -9.326 -19.669 16.383 1.00 0.00 C ATOM 771 CD2 TYR A 596 -7.624 -19.278 18.013 1.00 0.00 C ATOM 772 CE1 TYR A 596 -9.807 -20.728 17.136 1.00 0.00 C ATOM 773 CE2 TYR A 596 -8.105 -20.337 18.769 1.00 0.00 C ATOM 774 CZ TYR A 596 -9.193 -21.057 18.327 1.00 0.00 C ATOM 775 OH TYR A 596 -9.672 -22.111 19.084 1.00 0.00 O ATOM 0 H TYR A 596 -7.080 -15.610 14.808 1.00 0.00 H new ATOM 0 HA TYR A 596 -9.547 -16.987 15.135 1.00 0.00 H new ATOM 0 HB2 TYR A 596 -7.364 -18.114 14.990 1.00 0.00 H new ATOM 0 HB3 TYR A 596 -6.817 -17.317 16.452 1.00 0.00 H new ATOM 0 HD1 TYR A 596 -9.815 -19.418 15.454 1.00 0.00 H new ATOM 0 HD2 TYR A 596 -6.771 -18.720 18.369 1.00 0.00 H new ATOM 0 HE1 TYR A 596 -10.660 -21.294 16.792 1.00 0.00 H new ATOM 0 HE2 TYR A 596 -7.627 -20.596 19.702 1.00 0.00 H new ATOM 0 HH TYR A 596 -9.125 -22.209 19.891 1.00 0.00 H new ATOM 785 N LYS A 597 -8.547 -15.140 17.666 1.00 0.00 N ATOM 786 CA LYS A 597 -8.939 -14.445 18.913 1.00 0.00 C ATOM 787 C LYS A 597 -10.322 -13.789 18.764 1.00 0.00 C ATOM 788 O LYS A 597 -11.203 -13.961 19.626 1.00 0.00 O ATOM 789 CB LYS A 597 -7.838 -13.386 19.264 1.00 0.00 C ATOM 790 CG LYS A 597 -8.280 -12.200 20.152 1.00 0.00 C ATOM 791 CD LYS A 597 -7.185 -11.123 20.322 1.00 0.00 C ATOM 792 CE LYS A 597 -7.688 -9.889 21.094 1.00 0.00 C ATOM 793 NZ LYS A 597 -8.190 -10.227 22.450 1.00 0.00 N ATOM 0 H LYS A 597 -7.648 -14.826 17.300 1.00 0.00 H new ATOM 0 HA LYS A 597 -9.016 -15.165 19.727 1.00 0.00 H new ATOM 0 HB2 LYS A 597 -7.018 -13.900 19.765 1.00 0.00 H new ATOM 0 HB3 LYS A 597 -7.441 -12.985 18.332 1.00 0.00 H new ATOM 0 HG2 LYS A 597 -9.168 -11.740 19.717 1.00 0.00 H new ATOM 0 HG3 LYS A 597 -8.565 -12.577 21.134 1.00 0.00 H new ATOM 0 HD2 LYS A 597 -6.334 -11.555 20.848 1.00 0.00 H new ATOM 0 HD3 LYS A 597 -6.829 -10.813 19.340 1.00 0.00 H new ATOM 0 HE2 LYS A 597 -6.878 -9.165 21.181 1.00 0.00 H new ATOM 0 HE3 LYS A 597 -8.485 -9.409 20.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 597 -8.244 -9.363 23.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 597 -9.136 -10.652 22.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 597 -7.542 -10.904 22.901 1.00 0.00 H new ATOM 807 N GLU A 598 -10.499 -13.063 17.641 1.00 0.00 N ATOM 808 CA GLU A 598 -11.758 -12.380 17.321 1.00 0.00 C ATOM 809 C GLU A 598 -12.904 -13.397 17.165 1.00 0.00 C ATOM 810 O GLU A 598 -13.966 -13.212 17.758 1.00 0.00 O ATOM 811 CB GLU A 598 -11.621 -11.527 16.032 1.00 0.00 C ATOM 812 CG GLU A 598 -10.520 -10.441 16.068 1.00 0.00 C ATOM 813 CD GLU A 598 -10.640 -9.450 17.245 1.00 0.00 C ATOM 814 OE1 GLU A 598 -11.364 -8.440 17.115 1.00 0.00 O ATOM 815 OE2 GLU A 598 -10.000 -9.674 18.299 1.00 0.00 O ATOM 0 H GLU A 598 -9.773 -12.937 16.936 1.00 0.00 H new ATOM 0 HA GLU A 598 -11.992 -11.712 18.149 1.00 0.00 H new ATOM 0 HB2 GLU A 598 -11.421 -12.195 15.194 1.00 0.00 H new ATOM 0 HB3 GLU A 598 -12.578 -11.044 15.833 1.00 0.00 H new ATOM 0 HG2 GLU A 598 -9.547 -10.929 16.118 1.00 0.00 H new ATOM 0 HG3 GLU A 598 -10.548 -9.881 15.133 1.00 0.00 H new ATOM 822 N LEU A 599 -12.651 -14.491 16.394 1.00 0.00 N ATOM 823 CA LEU A 599 -13.659 -15.555 16.114 1.00 0.00 C ATOM 824 C LEU A 599 -14.330 -16.058 17.402 1.00 0.00 C ATOM 825 O LEU A 599 -15.564 -16.059 17.517 1.00 0.00 O ATOM 826 CB LEU A 599 -13.014 -16.769 15.373 1.00 0.00 C ATOM 827 CG LEU A 599 -12.503 -16.510 13.924 1.00 0.00 C ATOM 828 CD1 LEU A 599 -11.965 -17.815 13.285 1.00 0.00 C ATOM 829 CD2 LEU A 599 -13.606 -15.865 13.054 1.00 0.00 C ATOM 0 H LEU A 599 -11.748 -14.660 15.951 1.00 0.00 H new ATOM 0 HA LEU A 599 -14.416 -15.101 15.474 1.00 0.00 H new ATOM 0 HB2 LEU A 599 -12.176 -17.127 15.971 1.00 0.00 H new ATOM 0 HB3 LEU A 599 -13.747 -17.575 15.337 1.00 0.00 H new ATOM 0 HG LEU A 599 -11.674 -15.804 13.978 1.00 0.00 H new ATOM 0 HD11 LEU A 599 -11.614 -17.607 12.274 1.00 0.00 H new ATOM 0 HD12 LEU A 599 -11.139 -18.200 13.884 1.00 0.00 H new ATOM 0 HD13 LEU A 599 -12.762 -18.557 13.247 1.00 0.00 H new ATOM 0 HD21 LEU A 599 -13.223 -15.695 12.048 1.00 0.00 H new ATOM 0 HD22 LEU A 599 -14.468 -16.531 13.006 1.00 0.00 H new ATOM 0 HD23 LEU A 599 -13.906 -14.914 13.493 1.00 0.00 H new ATOM 841 N VAL A 600 -13.486 -16.433 18.375 1.00 0.00 N ATOM 842 CA VAL A 600 -13.937 -17.005 19.647 1.00 0.00 C ATOM 843 C VAL A 600 -14.761 -15.974 20.443 1.00 0.00 C ATOM 844 O VAL A 600 -15.904 -16.239 20.780 1.00 0.00 O ATOM 845 CB VAL A 600 -12.727 -17.529 20.506 1.00 0.00 C ATOM 846 CG1 VAL A 600 -13.206 -18.178 21.833 1.00 0.00 C ATOM 847 CG2 VAL A 600 -11.860 -18.520 19.689 1.00 0.00 C ATOM 0 H VAL A 600 -12.472 -16.347 18.300 1.00 0.00 H new ATOM 0 HA VAL A 600 -14.574 -17.859 19.418 1.00 0.00 H new ATOM 0 HB VAL A 600 -12.111 -16.668 20.766 1.00 0.00 H new ATOM 0 HG11 VAL A 600 -12.343 -18.528 22.399 1.00 0.00 H new ATOM 0 HG12 VAL A 600 -13.752 -17.441 22.422 1.00 0.00 H new ATOM 0 HG13 VAL A 600 -13.860 -19.021 21.610 1.00 0.00 H new ATOM 0 HG21 VAL A 600 -11.030 -18.869 20.303 1.00 0.00 H new ATOM 0 HG22 VAL A 600 -12.469 -19.371 19.385 1.00 0.00 H new ATOM 0 HG23 VAL A 600 -11.470 -18.018 18.803 1.00 0.00 H new ATOM 857 N GLU A 601 -14.199 -14.776 20.669 1.00 0.00 N ATOM 858 CA GLU A 601 -14.842 -13.736 21.507 1.00 0.00 C ATOM 859 C GLU A 601 -16.185 -13.238 20.919 1.00 0.00 C ATOM 860 O GLU A 601 -17.096 -12.885 21.674 1.00 0.00 O ATOM 861 CB GLU A 601 -13.866 -12.556 21.745 1.00 0.00 C ATOM 862 CG GLU A 601 -12.607 -12.939 22.551 1.00 0.00 C ATOM 863 CD GLU A 601 -11.684 -11.745 22.827 1.00 0.00 C ATOM 864 OE1 GLU A 601 -10.836 -11.434 21.976 1.00 0.00 O ATOM 865 OE2 GLU A 601 -11.810 -11.103 23.896 1.00 0.00 O ATOM 0 H GLU A 601 -13.297 -14.497 20.284 1.00 0.00 H new ATOM 0 HA GLU A 601 -15.080 -14.198 22.465 1.00 0.00 H new ATOM 0 HB2 GLU A 601 -13.559 -12.151 20.781 1.00 0.00 H new ATOM 0 HB3 GLU A 601 -14.394 -11.761 22.271 1.00 0.00 H new ATOM 0 HG2 GLU A 601 -12.911 -13.383 23.499 1.00 0.00 H new ATOM 0 HG3 GLU A 601 -12.051 -13.702 22.005 1.00 0.00 H new ATOM 872 N MET A 602 -16.314 -13.249 19.576 1.00 0.00 N ATOM 873 CA MET A 602 -17.559 -12.838 18.890 1.00 0.00 C ATOM 874 C MET A 602 -18.652 -13.904 19.052 1.00 0.00 C ATOM 875 O MET A 602 -19.805 -13.568 19.329 1.00 0.00 O ATOM 876 CB MET A 602 -17.317 -12.568 17.385 1.00 0.00 C ATOM 877 CG MET A 602 -16.396 -11.378 17.073 1.00 0.00 C ATOM 878 SD MET A 602 -16.213 -11.083 15.297 1.00 0.00 S ATOM 879 CE MET A 602 -15.735 -12.704 14.685 1.00 0.00 C ATOM 0 H MET A 602 -15.569 -13.539 18.942 1.00 0.00 H new ATOM 0 HA MET A 602 -17.891 -11.911 19.358 1.00 0.00 H new ATOM 0 HB2 MET A 602 -16.890 -13.465 16.936 1.00 0.00 H new ATOM 0 HB3 MET A 602 -18.280 -12.397 16.904 1.00 0.00 H new ATOM 0 HG2 MET A 602 -16.795 -10.481 17.547 1.00 0.00 H new ATOM 0 HG3 MET A 602 -15.414 -11.559 17.510 1.00 0.00 H new ATOM 0 HE1 MET A 602 -15.437 -12.625 13.639 1.00 0.00 H new ATOM 0 HE2 MET A 602 -14.899 -13.083 15.273 1.00 0.00 H new ATOM 0 HE3 MET A 602 -16.579 -13.389 14.771 1.00 0.00 H new ATOM 889 N VAL A 603 -18.286 -15.196 18.878 1.00 0.00 N ATOM 890 CA VAL A 603 -19.253 -16.307 19.022 1.00 0.00 C ATOM 891 C VAL A 603 -19.618 -16.524 20.508 1.00 0.00 C ATOM 892 O VAL A 603 -20.670 -17.086 20.803 1.00 0.00 O ATOM 893 CB VAL A 603 -18.768 -17.659 18.356 1.00 0.00 C ATOM 894 CG1 VAL A 603 -18.499 -17.467 16.843 1.00 0.00 C ATOM 895 CG2 VAL A 603 -17.532 -18.264 19.067 1.00 0.00 C ATOM 0 H VAL A 603 -17.339 -15.491 18.640 1.00 0.00 H new ATOM 0 HA VAL A 603 -20.146 -16.006 18.474 1.00 0.00 H new ATOM 0 HB VAL A 603 -19.580 -18.376 18.475 1.00 0.00 H new ATOM 0 HG11 VAL A 603 -18.167 -18.411 16.410 1.00 0.00 H new ATOM 0 HG12 VAL A 603 -19.415 -17.143 16.349 1.00 0.00 H new ATOM 0 HG13 VAL A 603 -17.725 -16.712 16.704 1.00 0.00 H new ATOM 0 HG21 VAL A 603 -17.243 -19.189 18.569 1.00 0.00 H new ATOM 0 HG22 VAL A 603 -16.705 -17.555 19.025 1.00 0.00 H new ATOM 0 HG23 VAL A 603 -17.778 -18.474 20.108 1.00 0.00 H new ATOM 905 N LYS A 604 -18.746 -16.065 21.441 1.00 0.00 N ATOM 906 CA LYS A 604 -19.066 -16.051 22.885 1.00 0.00 C ATOM 907 C LYS A 604 -20.082 -14.941 23.183 1.00 0.00 C ATOM 908 O LYS A 604 -20.993 -15.137 23.978 1.00 0.00 O ATOM 909 CB LYS A 604 -17.804 -15.852 23.776 1.00 0.00 C ATOM 910 CG LYS A 604 -16.735 -16.964 23.668 1.00 0.00 C ATOM 911 CD LYS A 604 -17.299 -18.387 23.885 1.00 0.00 C ATOM 912 CE LYS A 604 -16.238 -19.481 23.684 1.00 0.00 C ATOM 913 NZ LYS A 604 -16.816 -20.840 23.809 1.00 0.00 N ATOM 0 H LYS A 604 -17.820 -15.702 21.217 1.00 0.00 H new ATOM 0 HA LYS A 604 -19.488 -17.026 23.128 1.00 0.00 H new ATOM 0 HB2 LYS A 604 -17.342 -14.900 23.515 1.00 0.00 H new ATOM 0 HB3 LYS A 604 -18.122 -15.777 24.816 1.00 0.00 H new ATOM 0 HG2 LYS A 604 -16.268 -16.913 22.684 1.00 0.00 H new ATOM 0 HG3 LYS A 604 -15.952 -16.776 24.403 1.00 0.00 H new ATOM 0 HD2 LYS A 604 -17.707 -18.462 24.893 1.00 0.00 H new ATOM 0 HD3 LYS A 604 -18.125 -18.556 23.194 1.00 0.00 H new ATOM 0 HE2 LYS A 604 -15.783 -19.369 22.700 1.00 0.00 H new ATOM 0 HE3 LYS A 604 -15.443 -19.355 24.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 604 -16.069 -21.549 23.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 604 -17.228 -20.956 24.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 604 -17.557 -20.969 23.091 1.00 0.00 H new ATOM 927 N ALA A 605 -19.910 -13.780 22.518 1.00 0.00 N ATOM 928 CA ALA A 605 -20.788 -12.608 22.704 1.00 0.00 C ATOM 929 C ALA A 605 -22.226 -12.911 22.230 1.00 0.00 C ATOM 930 O ALA A 605 -23.195 -12.722 22.982 1.00 0.00 O ATOM 931 CB ALA A 605 -20.211 -11.381 21.966 1.00 0.00 C ATOM 0 H ALA A 605 -19.162 -13.630 21.841 1.00 0.00 H new ATOM 0 HA ALA A 605 -20.832 -12.380 23.769 1.00 0.00 H new ATOM 0 HB1 ALA A 605 -20.870 -10.525 22.113 1.00 0.00 H new ATOM 0 HB2 ALA A 605 -19.222 -11.150 22.362 1.00 0.00 H new ATOM 0 HB3 ALA A 605 -20.133 -11.600 20.901 1.00 0.00 H new ATOM 937 N LYS A 606 -22.332 -13.417 20.990 1.00 0.00 N ATOM 938 CA LYS A 606 -23.620 -13.718 20.339 1.00 0.00 C ATOM 939 C LYS A 606 -24.337 -14.876 21.046 1.00 0.00 C ATOM 940 O LYS A 606 -25.442 -14.700 21.555 1.00 0.00 O ATOM 941 CB LYS A 606 -23.406 -14.074 18.843 1.00 0.00 C ATOM 942 CG LYS A 606 -22.795 -12.944 17.986 1.00 0.00 C ATOM 943 CD LYS A 606 -22.537 -13.396 16.533 1.00 0.00 C ATOM 944 CE LYS A 606 -21.950 -12.284 15.649 1.00 0.00 C ATOM 945 NZ LYS A 606 -21.672 -12.764 14.271 1.00 0.00 N ATOM 0 H LYS A 606 -21.523 -13.630 20.407 1.00 0.00 H new ATOM 0 HA LYS A 606 -24.243 -12.826 20.409 1.00 0.00 H new ATOM 0 HB2 LYS A 606 -22.757 -14.948 18.782 1.00 0.00 H new ATOM 0 HB3 LYS A 606 -24.366 -14.359 18.412 1.00 0.00 H new ATOM 0 HG2 LYS A 606 -23.467 -12.086 17.985 1.00 0.00 H new ATOM 0 HG3 LYS A 606 -21.858 -12.614 18.435 1.00 0.00 H new ATOM 0 HD2 LYS A 606 -21.854 -14.245 16.539 1.00 0.00 H new ATOM 0 HD3 LYS A 606 -23.473 -13.743 16.096 1.00 0.00 H new ATOM 0 HE2 LYS A 606 -22.646 -11.446 15.609 1.00 0.00 H new ATOM 0 HE3 LYS A 606 -21.029 -11.912 16.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 606 -21.277 -11.986 13.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 606 -20.988 -13.547 14.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 606 -22.556 -13.096 13.834 1.00 0.00 H new ATOM 959 N LYS A 607 -23.669 -16.049 21.094 1.00 0.00 N ATOM 960 CA LYS A 607 -24.289 -17.305 21.573 1.00 0.00 C ATOM 961 C LYS A 607 -24.662 -17.232 23.066 1.00 0.00 C ATOM 962 O LYS A 607 -25.632 -17.869 23.479 1.00 0.00 O ATOM 963 CB LYS A 607 -23.371 -18.527 21.286 1.00 0.00 C ATOM 964 CG LYS A 607 -23.944 -19.897 21.731 1.00 0.00 C ATOM 965 CD LYS A 607 -25.277 -20.268 21.030 1.00 0.00 C ATOM 966 CE LYS A 607 -25.986 -21.456 21.704 1.00 0.00 C ATOM 967 NZ LYS A 607 -25.105 -22.653 21.817 1.00 0.00 N ATOM 0 H LYS A 607 -22.696 -16.153 20.806 1.00 0.00 H new ATOM 0 HA LYS A 607 -25.216 -17.438 21.016 1.00 0.00 H new ATOM 0 HB2 LYS A 607 -23.167 -18.566 20.216 1.00 0.00 H new ATOM 0 HB3 LYS A 607 -22.416 -18.370 21.787 1.00 0.00 H new ATOM 0 HG2 LYS A 607 -23.207 -20.674 21.527 1.00 0.00 H new ATOM 0 HG3 LYS A 607 -24.102 -19.883 22.809 1.00 0.00 H new ATOM 0 HD2 LYS A 607 -25.940 -19.403 21.035 1.00 0.00 H new ATOM 0 HD3 LYS A 607 -25.079 -20.512 19.986 1.00 0.00 H new ATOM 0 HE2 LYS A 607 -26.321 -21.159 22.698 1.00 0.00 H new ATOM 0 HE3 LYS A 607 -26.877 -21.716 21.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 607 -25.659 -23.460 22.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 607 -24.710 -22.883 20.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 607 -24.330 -22.452 22.480 1.00 0.00 H new ATOM 981 N ALA A 608 -23.909 -16.447 23.868 1.00 0.00 N ATOM 982 CA ALA A 608 -24.258 -16.228 25.290 1.00 0.00 C ATOM 983 C ALA A 608 -25.630 -15.559 25.401 1.00 0.00 C ATOM 984 O ALA A 608 -26.498 -16.039 26.129 1.00 0.00 O ATOM 985 CB ALA A 608 -23.197 -15.390 26.009 1.00 0.00 C ATOM 0 H ALA A 608 -23.067 -15.960 23.561 1.00 0.00 H new ATOM 0 HA ALA A 608 -24.295 -17.202 25.777 1.00 0.00 H new ATOM 0 HB1 ALA A 608 -23.488 -15.250 27.050 1.00 0.00 H new ATOM 0 HB2 ALA A 608 -22.237 -15.904 25.966 1.00 0.00 H new ATOM 0 HB3 ALA A 608 -23.110 -14.418 25.523 1.00 0.00 H new ATOM 991 N ALA A 609 -25.822 -14.488 24.614 1.00 0.00 N ATOM 992 CA ALA A 609 -27.093 -13.737 24.567 1.00 0.00 C ATOM 993 C ALA A 609 -28.240 -14.644 24.084 1.00 0.00 C ATOM 994 O ALA A 609 -29.307 -14.687 24.692 1.00 0.00 O ATOM 995 CB ALA A 609 -26.951 -12.503 23.658 1.00 0.00 C ATOM 0 H ALA A 609 -25.104 -14.117 23.992 1.00 0.00 H new ATOM 0 HA ALA A 609 -27.333 -13.396 25.574 1.00 0.00 H new ATOM 0 HB1 ALA A 609 -27.895 -11.959 23.633 1.00 0.00 H new ATOM 0 HB2 ALA A 609 -26.168 -11.853 24.047 1.00 0.00 H new ATOM 0 HB3 ALA A 609 -26.689 -12.822 22.649 1.00 0.00 H new ATOM 1001 N GLN A 610 -27.959 -15.405 23.013 1.00 0.00 N ATOM 1002 CA GLN A 610 -28.916 -16.347 22.387 1.00 0.00 C ATOM 1003 C GLN A 610 -29.348 -17.454 23.363 1.00 0.00 C ATOM 1004 O GLN A 610 -30.511 -17.871 23.368 1.00 0.00 O ATOM 1005 CB GLN A 610 -28.285 -16.973 21.113 1.00 0.00 C ATOM 1006 CG GLN A 610 -28.002 -15.968 19.982 1.00 0.00 C ATOM 1007 CD GLN A 610 -27.269 -16.593 18.789 1.00 0.00 C ATOM 1008 OE1 GLN A 610 -26.040 -16.586 18.724 1.00 0.00 O ATOM 1009 NE2 GLN A 610 -28.015 -17.155 17.849 1.00 0.00 N ATOM 0 H GLN A 610 -27.051 -15.387 22.548 1.00 0.00 H new ATOM 0 HA GLN A 610 -29.808 -15.784 22.113 1.00 0.00 H new ATOM 0 HB2 GLN A 610 -27.351 -17.463 21.389 1.00 0.00 H new ATOM 0 HB3 GLN A 610 -28.952 -17.748 20.735 1.00 0.00 H new ATOM 0 HG2 GLN A 610 -28.945 -15.542 19.639 1.00 0.00 H new ATOM 0 HG3 GLN A 610 -27.406 -15.145 20.376 1.00 0.00 H new ATOM 0 HE21 GLN A 610 -29.032 -17.145 17.931 1.00 0.00 H new ATOM 0 HE22 GLN A 610 -27.573 -17.598 17.044 1.00 0.00 H new ATOM 1018 N GLU A 611 -28.400 -17.897 24.200 1.00 0.00 N ATOM 1019 CA GLU A 611 -28.626 -18.980 25.168 1.00 0.00 C ATOM 1020 C GLU A 611 -29.416 -18.452 26.383 1.00 0.00 C ATOM 1021 O GLU A 611 -30.223 -19.177 26.955 1.00 0.00 O ATOM 1022 CB GLU A 611 -27.271 -19.595 25.602 1.00 0.00 C ATOM 1023 CG GLU A 611 -27.375 -20.817 26.537 1.00 0.00 C ATOM 1024 CD GLU A 611 -26.006 -21.462 26.837 1.00 0.00 C ATOM 1025 OE1 GLU A 611 -25.548 -22.308 26.037 1.00 0.00 O ATOM 1026 OE2 GLU A 611 -25.376 -21.116 27.862 1.00 0.00 O ATOM 0 H GLU A 611 -27.455 -17.515 24.225 1.00 0.00 H new ATOM 0 HA GLU A 611 -29.219 -19.764 24.698 1.00 0.00 H new ATOM 0 HB2 GLU A 611 -26.720 -19.887 24.708 1.00 0.00 H new ATOM 0 HB3 GLU A 611 -26.684 -18.824 26.101 1.00 0.00 H new ATOM 0 HG2 GLU A 611 -27.841 -20.512 27.474 1.00 0.00 H new ATOM 0 HG3 GLU A 611 -28.030 -21.561 26.083 1.00 0.00 H new ATOM 1033 N GLN A 612 -29.176 -17.175 26.755 1.00 0.00 N ATOM 1034 CA GLN A 612 -29.898 -16.507 27.863 1.00 0.00 C ATOM 1035 C GLN A 612 -31.378 -16.263 27.480 1.00 0.00 C ATOM 1036 O GLN A 612 -32.271 -16.363 28.336 1.00 0.00 O ATOM 1037 CB GLN A 612 -29.207 -15.172 28.256 1.00 0.00 C ATOM 1038 CG GLN A 612 -27.784 -15.318 28.855 1.00 0.00 C ATOM 1039 CD GLN A 612 -27.729 -16.065 30.193 1.00 0.00 C ATOM 1040 OE1 GLN A 612 -28.666 -16.015 30.985 1.00 0.00 O ATOM 1041 NE2 GLN A 612 -26.621 -16.753 30.460 1.00 0.00 N ATOM 0 H GLN A 612 -28.482 -16.582 26.300 1.00 0.00 H new ATOM 0 HA GLN A 612 -29.870 -17.168 28.730 1.00 0.00 H new ATOM 0 HB2 GLN A 612 -29.149 -14.537 27.372 1.00 0.00 H new ATOM 0 HB3 GLN A 612 -29.837 -14.654 28.979 1.00 0.00 H new ATOM 0 HG2 GLN A 612 -27.153 -15.840 28.136 1.00 0.00 H new ATOM 0 HG3 GLN A 612 -27.357 -14.324 28.991 1.00 0.00 H new ATOM 0 HE21 GLN A 612 -25.859 -16.776 29.782 1.00 0.00 H new ATOM 0 HE22 GLN A 612 -26.534 -17.257 31.342 1.00 0.00 H new ATOM 1050 N VAL A 613 -31.621 -15.943 26.184 1.00 0.00 N ATOM 1051 CA VAL A 613 -32.990 -15.800 25.632 1.00 0.00 C ATOM 1052 C VAL A 613 -33.705 -17.158 25.686 1.00 0.00 C ATOM 1053 O VAL A 613 -34.776 -17.279 26.283 1.00 0.00 O ATOM 1054 CB VAL A 613 -33.003 -15.262 24.148 1.00 0.00 C ATOM 1055 CG1 VAL A 613 -34.450 -15.163 23.581 1.00 0.00 C ATOM 1056 CG2 VAL A 613 -32.287 -13.896 24.035 1.00 0.00 C ATOM 0 H VAL A 613 -30.882 -15.779 25.500 1.00 0.00 H new ATOM 0 HA VAL A 613 -33.508 -15.063 26.246 1.00 0.00 H new ATOM 0 HB VAL A 613 -32.455 -15.987 23.546 1.00 0.00 H new ATOM 0 HG11 VAL A 613 -34.415 -14.789 22.558 1.00 0.00 H new ATOM 0 HG12 VAL A 613 -34.913 -16.150 23.591 1.00 0.00 H new ATOM 0 HG13 VAL A 613 -35.036 -14.481 24.197 1.00 0.00 H new ATOM 0 HG21 VAL A 613 -32.315 -13.555 23.000 1.00 0.00 H new ATOM 0 HG22 VAL A 613 -32.791 -13.168 24.670 1.00 0.00 H new ATOM 0 HG23 VAL A 613 -31.250 -14.001 24.355 1.00 0.00 H new ATOM 1066 N LEU A 614 -33.059 -18.180 25.085 1.00 0.00 N ATOM 1067 CA LEU A 614 -33.582 -19.564 24.995 1.00 0.00 C ATOM 1068 C LEU A 614 -33.885 -20.133 26.397 1.00 0.00 C ATOM 1069 O LEU A 614 -34.887 -20.816 26.594 1.00 0.00 O ATOM 1070 CB LEU A 614 -32.551 -20.464 24.251 1.00 0.00 C ATOM 1071 CG LEU A 614 -32.975 -21.949 23.996 1.00 0.00 C ATOM 1072 CD1 LEU A 614 -34.247 -22.040 23.121 1.00 0.00 C ATOM 1073 CD2 LEU A 614 -31.809 -22.767 23.385 1.00 0.00 C ATOM 0 H LEU A 614 -32.147 -18.067 24.642 1.00 0.00 H new ATOM 0 HA LEU A 614 -34.516 -19.549 24.434 1.00 0.00 H new ATOM 0 HB2 LEU A 614 -32.328 -20.003 23.289 1.00 0.00 H new ATOM 0 HB3 LEU A 614 -31.625 -20.468 24.825 1.00 0.00 H new ATOM 0 HG LEU A 614 -33.219 -22.388 24.963 1.00 0.00 H new ATOM 0 HD11 LEU A 614 -34.509 -23.087 22.967 1.00 0.00 H new ATOM 0 HD12 LEU A 614 -35.070 -21.530 23.622 1.00 0.00 H new ATOM 0 HD13 LEU A 614 -34.060 -21.567 22.157 1.00 0.00 H new ATOM 0 HD21 LEU A 614 -32.133 -23.794 23.219 1.00 0.00 H new ATOM 0 HD22 LEU A 614 -31.511 -22.322 22.435 1.00 0.00 H new ATOM 0 HD23 LEU A 614 -30.961 -22.760 24.070 1.00 0.00 H new ATOM 1085 N ASN A 615 -33.013 -19.798 27.357 1.00 0.00 N ATOM 1086 CA ASN A 615 -33.137 -20.209 28.769 1.00 0.00 C ATOM 1087 C ASN A 615 -34.425 -19.647 29.403 1.00 0.00 C ATOM 1088 O ASN A 615 -35.165 -20.372 30.062 1.00 0.00 O ATOM 1089 CB ASN A 615 -31.884 -19.725 29.554 1.00 0.00 C ATOM 1090 CG ASN A 615 -31.976 -19.920 31.073 1.00 0.00 C ATOM 1091 OD1 ASN A 615 -31.640 -20.980 31.597 1.00 0.00 O ATOM 1092 ND2 ASN A 615 -32.410 -18.882 31.781 1.00 0.00 N ATOM 0 H ASN A 615 -32.188 -19.226 27.176 1.00 0.00 H new ATOM 0 HA ASN A 615 -33.198 -21.296 28.816 1.00 0.00 H new ATOM 0 HB2 ASN A 615 -31.009 -20.259 29.183 1.00 0.00 H new ATOM 0 HB3 ASN A 615 -31.725 -18.667 29.344 1.00 0.00 H new ATOM 0 HD21 ASN A 615 -32.473 -18.948 32.797 1.00 0.00 H new ATOM 0 HD22 ASN A 615 -32.680 -18.019 31.308 1.00 0.00 H new ATOM 1099 N ALA A 616 -34.684 -18.355 29.161 1.00 0.00 N ATOM 1100 CA ALA A 616 -35.767 -17.602 29.827 1.00 0.00 C ATOM 1101 C ALA A 616 -37.127 -17.717 29.098 1.00 0.00 C ATOM 1102 O ALA A 616 -38.184 -17.564 29.720 1.00 0.00 O ATOM 1103 CB ALA A 616 -35.345 -16.126 29.949 1.00 0.00 C ATOM 0 H ALA A 616 -34.149 -17.796 28.496 1.00 0.00 H new ATOM 0 HA ALA A 616 -35.917 -18.041 30.814 1.00 0.00 H new ATOM 0 HB1 ALA A 616 -36.137 -15.560 30.439 1.00 0.00 H new ATOM 0 HB2 ALA A 616 -34.431 -16.056 30.539 1.00 0.00 H new ATOM 0 HB3 ALA A 616 -35.168 -15.715 28.955 1.00 0.00 H new ATOM 1109 N SER A 617 -37.090 -17.992 27.780 1.00 0.00 N ATOM 1110 CA SER A 617 -38.280 -17.900 26.897 1.00 0.00 C ATOM 1111 C SER A 617 -39.218 -19.118 27.047 1.00 0.00 C ATOM 1112 O SER A 617 -40.446 -18.960 27.069 1.00 0.00 O ATOM 1113 CB SER A 617 -37.821 -17.726 25.433 1.00 0.00 C ATOM 1114 OG SER A 617 -36.931 -18.761 25.046 1.00 0.00 O ATOM 0 H SER A 617 -36.241 -18.283 27.295 1.00 0.00 H new ATOM 0 HA SER A 617 -38.861 -17.029 27.200 1.00 0.00 H new ATOM 0 HB2 SER A 617 -38.690 -17.725 24.775 1.00 0.00 H new ATOM 0 HB3 SER A 617 -37.331 -16.759 25.315 1.00 0.00 H new ATOM 0 HG SER A 617 -36.033 -18.565 25.386 1.00 0.00 H new ATOM 1120 N ARG A 618 -38.631 -20.331 27.151 1.00 0.00 N ATOM 1121 CA ARG A 618 -39.400 -21.587 27.309 1.00 0.00 C ATOM 1122 C ARG A 618 -39.506 -22.012 28.790 1.00 0.00 C ATOM 1123 O ARG A 618 -39.971 -23.115 29.084 1.00 0.00 O ATOM 1124 CB ARG A 618 -38.787 -22.730 26.423 1.00 0.00 C ATOM 1125 CG ARG A 618 -37.240 -22.907 26.472 1.00 0.00 C ATOM 1126 CD ARG A 618 -36.685 -23.406 27.820 1.00 0.00 C ATOM 1127 NE ARG A 618 -35.211 -23.506 27.812 1.00 0.00 N ATOM 1128 CZ ARG A 618 -34.452 -23.824 28.870 1.00 0.00 C ATOM 1129 NH1 ARG A 618 -34.991 -24.046 30.065 1.00 0.00 N ATOM 1130 NH2 ARG A 618 -33.136 -23.915 28.730 1.00 0.00 N ATOM 0 H ARG A 618 -37.620 -20.467 27.128 1.00 0.00 H new ATOM 0 HA ARG A 618 -40.416 -21.400 26.961 1.00 0.00 H new ATOM 0 HB2 ARG A 618 -39.246 -23.673 26.721 1.00 0.00 H new ATOM 0 HB3 ARG A 618 -39.075 -22.548 25.388 1.00 0.00 H new ATOM 0 HG2 ARG A 618 -36.945 -23.609 25.692 1.00 0.00 H new ATOM 0 HG3 ARG A 618 -36.772 -21.952 26.235 1.00 0.00 H new ATOM 0 HD2 ARG A 618 -36.997 -22.727 28.614 1.00 0.00 H new ATOM 0 HD3 ARG A 618 -37.113 -24.382 28.049 1.00 0.00 H new ATOM 0 HE ARG A 618 -34.733 -23.318 26.931 1.00 0.00 H new ATOM 0 HH11 ARG A 618 -36.001 -23.976 30.190 1.00 0.00 H new ATOM 0 HH12 ARG A 618 -34.395 -24.287 30.857 1.00 0.00 H new ATOM 0 HH21 ARG A 618 -32.707 -23.743 27.821 1.00 0.00 H new ATOM 0 HH22 ARG A 618 -32.553 -24.157 29.532 1.00 0.00 H new ATOM 1144 N ALA A 619 -39.083 -21.135 29.716 1.00 0.00 N ATOM 1145 CA ALA A 619 -38.962 -21.477 31.149 1.00 0.00 C ATOM 1146 C ALA A 619 -39.371 -20.303 32.057 1.00 0.00 C ATOM 1147 O ALA A 619 -39.688 -19.208 31.582 1.00 0.00 O ATOM 1148 CB ALA A 619 -37.528 -21.937 31.452 1.00 0.00 C ATOM 0 H ALA A 619 -38.816 -20.175 29.498 1.00 0.00 H new ATOM 0 HA ALA A 619 -39.651 -22.294 31.363 1.00 0.00 H new ATOM 0 HB1 ALA A 619 -37.442 -22.188 32.509 1.00 0.00 H new ATOM 0 HB2 ALA A 619 -37.293 -22.815 30.850 1.00 0.00 H new ATOM 0 HB3 ALA A 619 -36.830 -21.135 31.212 1.00 0.00 H new ATOM 1154 N LYS A 620 -39.354 -20.557 33.383 1.00 0.00 N ATOM 1155 CA LYS A 620 -39.849 -19.608 34.405 1.00 0.00 C ATOM 1156 C LYS A 620 -38.957 -19.622 35.667 1.00 0.00 C ATOM 1157 O LYS A 620 -39.346 -19.093 36.720 1.00 0.00 O ATOM 1158 CB LYS A 620 -41.352 -19.900 34.757 1.00 0.00 C ATOM 1159 CG LYS A 620 -41.692 -21.345 35.237 1.00 0.00 C ATOM 1160 CD LYS A 620 -41.699 -22.391 34.097 1.00 0.00 C ATOM 1161 CE LYS A 620 -42.076 -23.808 34.566 1.00 0.00 C ATOM 1162 NZ LYS A 620 -43.499 -23.909 34.980 1.00 0.00 N ATOM 0 H LYS A 620 -38.996 -21.427 33.776 1.00 0.00 H new ATOM 0 HA LYS A 620 -39.795 -18.604 33.985 1.00 0.00 H new ATOM 0 HB2 LYS A 620 -41.661 -19.202 35.535 1.00 0.00 H new ATOM 0 HB3 LYS A 620 -41.956 -19.683 33.876 1.00 0.00 H new ATOM 0 HG2 LYS A 620 -40.967 -21.648 35.992 1.00 0.00 H new ATOM 0 HG3 LYS A 620 -42.670 -21.338 35.719 1.00 0.00 H new ATOM 0 HD2 LYS A 620 -42.402 -22.073 33.327 1.00 0.00 H new ATOM 0 HD3 LYS A 620 -40.712 -22.420 33.635 1.00 0.00 H new ATOM 0 HE2 LYS A 620 -41.884 -24.517 33.761 1.00 0.00 H new ATOM 0 HE3 LYS A 620 -41.437 -24.093 35.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 620 -43.703 -24.881 35.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 620 -43.679 -23.253 35.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 620 -44.112 -23.664 34.177 1.00 0.00 H new ATOM 1176 N LYS A 621 -37.745 -20.209 35.550 1.00 0.00 N ATOM 1177 CA LYS A 621 -36.716 -20.159 36.616 1.00 0.00 C ATOM 1178 C LYS A 621 -36.135 -18.726 36.702 1.00 0.00 C ATOM 1179 CB LYS A 621 -35.585 -21.201 36.341 1.00 0.00 C ATOM 1180 CG LYS A 621 -36.022 -22.680 36.465 1.00 0.00 C ATOM 1181 CD LYS A 621 -36.400 -23.071 37.916 1.00 0.00 C ATOM 1182 CE LYS A 621 -36.927 -24.515 38.032 1.00 0.00 C ATOM 1183 NZ LYS A 621 -35.926 -25.536 37.613 1.00 0.00 N ATOM 0 H LYS A 621 -37.453 -20.727 34.721 1.00 0.00 H new ATOM 0 HA LYS A 621 -37.176 -20.414 37.570 1.00 0.00 H new ATOM 0 HB2 LYS A 621 -35.194 -21.035 35.337 1.00 0.00 H new ATOM 0 HB3 LYS A 621 -34.766 -21.019 37.037 1.00 0.00 H new ATOM 0 HG2 LYS A 621 -36.875 -22.859 35.811 1.00 0.00 H new ATOM 0 HG3 LYS A 621 -35.214 -23.324 36.118 1.00 0.00 H new ATOM 0 HD2 LYS A 621 -35.526 -22.956 38.557 1.00 0.00 H new ATOM 0 HD3 LYS A 621 -37.159 -22.382 38.286 1.00 0.00 H new ATOM 0 HE2 LYS A 621 -37.223 -24.706 39.064 1.00 0.00 H new ATOM 0 HE3 LYS A 621 -37.822 -24.619 37.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 621 -36.331 -26.487 37.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 621 -35.674 -25.386 36.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 621 -35.074 -25.449 38.202 1.00 0.00 H new TER 1197 LYS A 621