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 : amide:sc=-0.00781 X(o=0.94,f=0.79) USER MOD Set 1.2: A 568 THR OG1 : rot 77:sc= 0.946 USER MOD Single : A 552 THR OG1 : rot 180:sc= 0.174 USER MOD Single : A 555 THR OG1 : rot -151:sc= -0.221 USER MOD Single : A 556 THR OG1 : rot 180:sc= 0 USER MOD Single : A 559 GLN :FLIP amide:sc= -0.129 F(o=-0.71,f=-0.13) 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 30:sc=-0.000462 USER MOD Single : A 572 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 573 THR OG1 : rot 180:sc= 0 USER MOD Single : A 578 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 579 LYS NZ :NH3+ -174:sc= -0.01 (180deg=-0.0753) USER MOD Single : A 588 THR OG1 : rot -179:sc= 0.00594 USER MOD Single : A 589 LYS NZ :NH3+ -128:sc= 1.26 (180deg=-0.0121) USER MOD Single : A 590 LYS NZ :NH3+ -117:sc= 0.452 (180deg=0.231) USER MOD Single : A 592 CYS SG : rot 71:sc= 1.29 USER MOD Single : A 593 MET CE :methyl -130:sc= 0 (180deg=-0.501) USER MOD Single : A 594 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.0038) USER MOD Single : A 596 TYR OH : rot 180:sc= 0.0926 USER MOD Single : A 597 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00489) USER MOD Single : A 602 MET CE :methyl -177:sc= -0.358 (180deg=-0.439) USER MOD Single : A 604 LYS NZ :NH3+ 142:sc= 0.452 (180deg=-0.0602) USER MOD Single : A 606 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0339) USER MOD Single : A 607 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0705) USER MOD Single : A 610 GLN : amide:sc= -0.0588 X(o=-0.059,f=-0.14) USER MOD Single : A 612 GLN : amide:sc= -0.536 X(o=-0.54,f=-0.16) USER MOD Single : A 615 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 617 SER OG : rot -80:sc= 1.13 USER MOD Single : A 620 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 621 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 551 1.861 -5.949 2.028 1.00 0.00 N ATOM 2 CA PHE A 551 1.030 -6.821 2.884 1.00 0.00 C ATOM 3 C PHE A 551 -0.434 -6.731 2.423 1.00 0.00 C ATOM 4 O PHE A 551 -1.070 -5.677 2.535 1.00 0.00 O ATOM 5 CB PHE A 551 1.166 -6.450 4.388 1.00 0.00 C ATOM 6 CG PHE A 551 0.466 -7.439 5.340 1.00 0.00 C ATOM 7 CD1 PHE A 551 0.988 -8.720 5.550 1.00 0.00 C ATOM 8 CD2 PHE A 551 -0.718 -7.101 6.014 1.00 0.00 C ATOM 9 CE1 PHE A 551 0.363 -9.621 6.401 1.00 0.00 C ATOM 10 CE2 PHE A 551 -1.342 -8.007 6.862 1.00 0.00 C ATOM 11 CZ PHE A 551 -0.802 -9.266 7.053 1.00 0.00 C ATOM 0 HA PHE A 551 1.380 -7.848 2.782 1.00 0.00 H new ATOM 0 HB2 PHE A 551 2.224 -6.400 4.646 1.00 0.00 H new ATOM 0 HB3 PHE A 551 0.752 -5.454 4.546 1.00 0.00 H new ATOM 0 HD1 PHE A 551 1.894 -9.013 5.041 1.00 0.00 H new ATOM 0 HD2 PHE A 551 -1.150 -6.122 5.871 1.00 0.00 H new ATOM 0 HE1 PHE A 551 0.788 -10.602 6.554 1.00 0.00 H new ATOM 0 HE2 PHE A 551 -2.251 -7.728 7.374 1.00 0.00 H new ATOM 0 HZ PHE A 551 -1.290 -9.970 7.711 1.00 0.00 H new ATOM 21 N THR A 552 -0.938 -7.840 1.873 1.00 0.00 N ATOM 22 CA THR A 552 -2.323 -7.977 1.418 1.00 0.00 C ATOM 23 C THR A 552 -3.267 -8.185 2.632 1.00 0.00 C ATOM 24 O THR A 552 -2.816 -8.667 3.679 1.00 0.00 O ATOM 25 CB THR A 552 -2.425 -9.187 0.421 1.00 0.00 C ATOM 26 OG1 THR A 552 -1.923 -10.379 1.054 1.00 0.00 O ATOM 27 CG2 THR A 552 -1.627 -8.938 -0.874 1.00 0.00 C ATOM 0 H THR A 552 -0.383 -8.684 1.729 1.00 0.00 H new ATOM 0 HA THR A 552 -2.629 -7.066 0.903 1.00 0.00 H new ATOM 0 HB THR A 552 -3.476 -9.304 0.157 1.00 0.00 H new ATOM 0 HG1 THR A 552 -1.989 -11.133 0.431 1.00 0.00 H new ATOM 0 HG21 THR A 552 -1.726 -9.800 -1.534 1.00 0.00 H new ATOM 0 HG22 THR A 552 -2.014 -8.051 -1.375 1.00 0.00 H new ATOM 0 HG23 THR A 552 -0.576 -8.787 -0.630 1.00 0.00 H new ATOM 35 N PRO A 553 -4.580 -7.802 2.535 1.00 0.00 N ATOM 36 CA PRO A 553 -5.581 -8.070 3.604 1.00 0.00 C ATOM 37 C PRO A 553 -5.924 -9.569 3.711 1.00 0.00 C ATOM 38 O PRO A 553 -5.407 -10.393 2.938 1.00 0.00 O ATOM 39 CB PRO A 553 -6.808 -7.245 3.146 1.00 0.00 C ATOM 40 CG PRO A 553 -6.680 -7.209 1.655 1.00 0.00 C ATOM 41 CD PRO A 553 -5.199 -7.069 1.392 1.00 0.00 C ATOM 0 HA PRO A 553 -5.221 -7.797 4.596 1.00 0.00 H new ATOM 0 HB2 PRO A 553 -7.742 -7.713 3.456 1.00 0.00 H new ATOM 0 HB3 PRO A 553 -6.797 -6.242 3.572 1.00 0.00 H new ATOM 0 HG2 PRO A 553 -7.077 -8.118 1.203 1.00 0.00 H new ATOM 0 HG3 PRO A 553 -7.237 -6.373 1.231 1.00 0.00 H new ATOM 0 HD2 PRO A 553 -4.917 -7.505 0.434 1.00 0.00 H new ATOM 0 HD3 PRO A 553 -4.891 -6.024 1.369 1.00 0.00 H new ATOM 49 N TRP A 554 -6.777 -9.919 4.685 1.00 0.00 N ATOM 50 CA TRP A 554 -7.281 -11.291 4.847 1.00 0.00 C ATOM 51 C TRP A 554 -8.283 -11.622 3.729 1.00 0.00 C ATOM 52 O TRP A 554 -9.499 -11.436 3.871 1.00 0.00 O ATOM 53 CB TRP A 554 -7.889 -11.495 6.259 1.00 0.00 C ATOM 54 CG TRP A 554 -6.843 -11.606 7.349 1.00 0.00 C ATOM 55 CD1 TRP A 554 -6.330 -10.606 8.132 1.00 0.00 C ATOM 56 CD2 TRP A 554 -6.171 -12.803 7.748 1.00 0.00 C ATOM 57 NE1 TRP A 554 -5.398 -11.117 8.996 1.00 0.00 N ATOM 58 CE2 TRP A 554 -5.278 -12.462 8.777 1.00 0.00 C ATOM 59 CE3 TRP A 554 -6.242 -14.131 7.327 1.00 0.00 C ATOM 60 CZ2 TRP A 554 -4.465 -13.407 9.396 1.00 0.00 C ATOM 61 CZ3 TRP A 554 -5.440 -15.064 7.942 1.00 0.00 C ATOM 62 CH2 TRP A 554 -4.556 -14.700 8.968 1.00 0.00 C ATOM 0 H TRP A 554 -7.135 -9.263 5.379 1.00 0.00 H new ATOM 0 HA TRP A 554 -6.447 -11.988 4.760 1.00 0.00 H new ATOM 0 HB2 TRP A 554 -8.553 -10.661 6.485 1.00 0.00 H new ATOM 0 HB3 TRP A 554 -8.500 -12.398 6.257 1.00 0.00 H new ATOM 0 HD1 TRP A 554 -6.618 -9.567 8.076 1.00 0.00 H new ATOM 0 HE1 TRP A 554 -4.877 -10.581 9.691 1.00 0.00 H new ATOM 0 HE3 TRP A 554 -6.914 -14.421 6.533 1.00 0.00 H new ATOM 0 HZ2 TRP A 554 -3.786 -13.127 10.188 1.00 0.00 H new ATOM 0 HZ3 TRP A 554 -5.492 -16.096 7.629 1.00 0.00 H new ATOM 0 HH2 TRP A 554 -3.936 -15.456 9.428 1.00 0.00 H new ATOM 73 N THR A 555 -7.719 -12.049 2.591 1.00 0.00 N ATOM 74 CA THR A 555 -8.470 -12.498 1.414 1.00 0.00 C ATOM 75 C THR A 555 -9.253 -13.795 1.734 1.00 0.00 C ATOM 76 O THR A 555 -8.969 -14.456 2.740 1.00 0.00 O ATOM 77 CB THR A 555 -7.487 -12.752 0.229 1.00 0.00 C ATOM 78 OG1 THR A 555 -6.531 -13.750 0.621 1.00 0.00 O ATOM 79 CG2 THR A 555 -6.749 -11.463 -0.205 1.00 0.00 C ATOM 0 H THR A 555 -6.708 -12.092 2.462 1.00 0.00 H new ATOM 0 HA THR A 555 -9.182 -11.721 1.135 1.00 0.00 H new ATOM 0 HB THR A 555 -8.070 -13.094 -0.626 1.00 0.00 H new ATOM 0 HG1 THR A 555 -5.689 -13.603 0.141 1.00 0.00 H new ATOM 0 HG21 THR A 555 -6.076 -11.690 -1.032 1.00 0.00 H new ATOM 0 HG22 THR A 555 -7.477 -10.717 -0.523 1.00 0.00 H new ATOM 0 HG23 THR A 555 -6.173 -11.073 0.634 1.00 0.00 H new ATOM 87 N THR A 556 -10.210 -14.155 0.858 1.00 0.00 N ATOM 88 CA THR A 556 -11.064 -15.347 1.035 1.00 0.00 C ATOM 89 C THR A 556 -10.211 -16.622 1.219 1.00 0.00 C ATOM 90 O THR A 556 -10.461 -17.423 2.121 1.00 0.00 O ATOM 91 CB THR A 556 -12.022 -15.524 -0.187 1.00 0.00 C ATOM 92 OG1 THR A 556 -12.698 -14.287 -0.452 1.00 0.00 O ATOM 93 CG2 THR A 556 -13.065 -16.635 0.038 1.00 0.00 C ATOM 0 H THR A 556 -10.414 -13.629 0.008 1.00 0.00 H new ATOM 0 HA THR A 556 -11.659 -15.196 1.936 1.00 0.00 H new ATOM 0 HB THR A 556 -11.408 -15.816 -1.039 1.00 0.00 H new ATOM 0 HG1 THR A 556 -13.297 -14.399 -1.220 1.00 0.00 H new ATOM 0 HG21 THR A 556 -13.705 -16.717 -0.841 1.00 0.00 H new ATOM 0 HG22 THR A 556 -12.555 -17.584 0.205 1.00 0.00 H new ATOM 0 HG23 THR A 556 -13.674 -16.392 0.909 1.00 0.00 H new ATOM 101 N GLU A 557 -9.165 -16.735 0.387 1.00 0.00 N ATOM 102 CA GLU A 557 -8.230 -17.870 0.388 1.00 0.00 C ATOM 103 C GLU A 557 -7.389 -17.921 1.687 1.00 0.00 C ATOM 104 O GLU A 557 -7.437 -18.922 2.402 1.00 0.00 O ATOM 105 CB GLU A 557 -7.321 -17.865 -0.886 1.00 0.00 C ATOM 106 CG GLU A 557 -6.688 -16.501 -1.283 1.00 0.00 C ATOM 107 CD GLU A 557 -7.502 -15.711 -2.343 1.00 0.00 C ATOM 108 OE1 GLU A 557 -8.562 -15.142 -2.012 1.00 0.00 O ATOM 109 OE2 GLU A 557 -7.091 -15.675 -3.519 1.00 0.00 O ATOM 0 H GLU A 557 -8.942 -16.030 -0.316 1.00 0.00 H new ATOM 0 HA GLU A 557 -8.829 -18.780 0.358 1.00 0.00 H new ATOM 0 HB2 GLU A 557 -6.515 -18.583 -0.733 1.00 0.00 H new ATOM 0 HB3 GLU A 557 -7.912 -18.224 -1.728 1.00 0.00 H new ATOM 0 HG2 GLU A 557 -6.583 -15.887 -0.389 1.00 0.00 H new ATOM 0 HG3 GLU A 557 -5.684 -16.677 -1.668 1.00 0.00 H new ATOM 116 N GLU A 558 -6.666 -16.825 2.008 1.00 0.00 N ATOM 117 CA GLU A 558 -5.784 -16.763 3.211 1.00 0.00 C ATOM 118 C GLU A 558 -6.568 -17.033 4.510 1.00 0.00 C ATOM 119 O GLU A 558 -6.060 -17.674 5.435 1.00 0.00 O ATOM 120 CB GLU A 558 -5.050 -15.378 3.304 1.00 0.00 C ATOM 121 CG GLU A 558 -3.658 -15.322 2.629 1.00 0.00 C ATOM 122 CD GLU A 558 -3.661 -15.673 1.130 1.00 0.00 C ATOM 123 OE1 GLU A 558 -3.859 -14.765 0.294 1.00 0.00 O ATOM 124 OE2 GLU A 558 -3.447 -16.854 0.779 1.00 0.00 O ATOM 0 H GLU A 558 -6.671 -15.968 1.455 1.00 0.00 H new ATOM 0 HA GLU A 558 -5.037 -17.549 3.097 1.00 0.00 H new ATOM 0 HB2 GLU A 558 -5.686 -14.617 2.852 1.00 0.00 H new ATOM 0 HB3 GLU A 558 -4.937 -15.115 4.356 1.00 0.00 H new ATOM 0 HG2 GLU A 558 -3.248 -14.320 2.754 1.00 0.00 H new ATOM 0 HG3 GLU A 558 -2.988 -16.008 3.148 1.00 0.00 H new ATOM 131 N GLN A 559 -7.813 -16.551 4.551 1.00 0.00 N ATOM 132 CA GLN A 559 -8.649 -16.605 5.757 1.00 0.00 C ATOM 133 C GLN A 559 -9.237 -18.026 5.956 1.00 0.00 C ATOM 134 O GLN A 559 -9.285 -18.526 7.086 1.00 0.00 O ATOM 135 CB GLN A 559 -9.760 -15.506 5.679 1.00 0.00 C ATOM 136 CG GLN A 559 -10.108 -14.805 7.011 1.00 0.00 C ATOM 137 CD GLN A 559 -10.609 -15.746 8.102 1.00 0.00 C ATOM 138 OE1 GLN A 559 -11.907 -15.994 8.112 1.00 0.00 O flip ATOM 139 NE2 GLN A 559 -9.832 -16.252 8.918 1.00 0.00 N flip ATOM 0 H GLN A 559 -8.271 -16.113 3.752 1.00 0.00 H new ATOM 0 HA GLN A 559 -8.036 -16.396 6.633 1.00 0.00 H new ATOM 0 HB2 GLN A 559 -9.444 -14.747 4.963 1.00 0.00 H new ATOM 0 HB3 GLN A 559 -10.667 -15.961 5.282 1.00 0.00 H new ATOM 0 HG2 GLN A 559 -9.223 -14.283 7.376 1.00 0.00 H new ATOM 0 HG3 GLN A 559 -10.869 -14.048 6.822 1.00 0.00 H new ATOM 0 HE21 GLN A 559 -8.836 -16.035 8.876 1.00 0.00 H new ATOM 0 HE22 GLN A 559 -10.186 -16.887 9.633 1.00 0.00 H new ATOM 148 N LYS A 560 -9.656 -18.688 4.853 1.00 0.00 N ATOM 149 CA LYS A 560 -10.234 -20.054 4.936 1.00 0.00 C ATOM 150 C LYS A 560 -9.135 -21.106 5.189 1.00 0.00 C ATOM 151 O LYS A 560 -9.405 -22.152 5.781 1.00 0.00 O ATOM 152 CB LYS A 560 -11.069 -20.414 3.670 1.00 0.00 C ATOM 153 CG LYS A 560 -10.274 -20.565 2.349 1.00 0.00 C ATOM 154 CD LYS A 560 -11.187 -20.824 1.120 1.00 0.00 C ATOM 155 CE LYS A 560 -11.898 -22.191 1.174 1.00 0.00 C ATOM 156 NZ LYS A 560 -12.869 -22.368 0.064 1.00 0.00 N ATOM 0 H LYS A 560 -9.607 -18.308 3.908 1.00 0.00 H new ATOM 0 HA LYS A 560 -10.917 -20.062 5.786 1.00 0.00 H new ATOM 0 HB2 LYS A 560 -11.597 -21.348 3.861 1.00 0.00 H new ATOM 0 HB3 LYS A 560 -11.827 -19.643 3.528 1.00 0.00 H new ATOM 0 HG2 LYS A 560 -9.690 -19.661 2.177 1.00 0.00 H new ATOM 0 HG3 LYS A 560 -9.566 -21.388 2.449 1.00 0.00 H new ATOM 0 HD2 LYS A 560 -11.935 -20.034 1.058 1.00 0.00 H new ATOM 0 HD3 LYS A 560 -10.588 -20.768 0.211 1.00 0.00 H new ATOM 0 HE2 LYS A 560 -11.154 -22.986 1.133 1.00 0.00 H new ATOM 0 HE3 LYS A 560 -12.418 -22.290 2.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 560 -13.321 -23.301 0.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 560 -13.596 -21.626 0.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 560 -12.371 -22.301 -0.847 1.00 0.00 H new ATOM 170 N LEU A 561 -7.896 -20.803 4.739 1.00 0.00 N ATOM 171 CA LEU A 561 -6.701 -21.631 5.016 1.00 0.00 C ATOM 172 C LEU A 561 -6.296 -21.497 6.493 1.00 0.00 C ATOM 173 O LEU A 561 -5.794 -22.452 7.087 1.00 0.00 O ATOM 174 CB LEU A 561 -5.516 -21.211 4.099 1.00 0.00 C ATOM 175 CG LEU A 561 -5.695 -21.504 2.577 1.00 0.00 C ATOM 176 CD1 LEU A 561 -4.548 -20.886 1.741 1.00 0.00 C ATOM 177 CD2 LEU A 561 -5.836 -23.021 2.318 1.00 0.00 C ATOM 0 H LEU A 561 -7.697 -19.978 4.174 1.00 0.00 H new ATOM 0 HA LEU A 561 -6.948 -22.672 4.807 1.00 0.00 H new ATOM 0 HB2 LEU A 561 -5.345 -20.142 4.226 1.00 0.00 H new ATOM 0 HB3 LEU A 561 -4.616 -21.721 4.444 1.00 0.00 H new ATOM 0 HG LEU A 561 -6.620 -21.027 2.253 1.00 0.00 H new ATOM 0 HD11 LEU A 561 -4.705 -21.110 0.686 1.00 0.00 H new ATOM 0 HD12 LEU A 561 -4.534 -19.806 1.885 1.00 0.00 H new ATOM 0 HD13 LEU A 561 -3.595 -21.307 2.063 1.00 0.00 H new ATOM 0 HD21 LEU A 561 -5.960 -23.198 1.250 1.00 0.00 H new ATOM 0 HD22 LEU A 561 -4.941 -23.535 2.670 1.00 0.00 H new ATOM 0 HD23 LEU A 561 -6.707 -23.402 2.852 1.00 0.00 H new ATOM 189 N LEU A 562 -6.506 -20.288 7.058 1.00 0.00 N ATOM 190 CA LEU A 562 -6.222 -19.990 8.476 1.00 0.00 C ATOM 191 C LEU A 562 -7.142 -20.826 9.378 1.00 0.00 C ATOM 192 O LEU A 562 -6.659 -21.557 10.243 1.00 0.00 O ATOM 193 CB LEU A 562 -6.361 -18.450 8.715 1.00 0.00 C ATOM 194 CG LEU A 562 -6.039 -17.850 10.138 1.00 0.00 C ATOM 195 CD1 LEU A 562 -7.261 -17.868 11.076 1.00 0.00 C ATOM 196 CD2 LEU A 562 -4.811 -18.525 10.787 1.00 0.00 C ATOM 0 H LEU A 562 -6.878 -19.491 6.541 1.00 0.00 H new ATOM 0 HA LEU A 562 -5.199 -20.267 8.732 1.00 0.00 H new ATOM 0 HB2 LEU A 562 -5.714 -17.949 7.996 1.00 0.00 H new ATOM 0 HB3 LEU A 562 -7.386 -18.173 8.469 1.00 0.00 H new ATOM 0 HG LEU A 562 -5.784 -16.803 9.977 1.00 0.00 H new ATOM 0 HD11 LEU A 562 -6.985 -17.444 12.042 1.00 0.00 H new ATOM 0 HD12 LEU A 562 -8.065 -17.277 10.637 1.00 0.00 H new ATOM 0 HD13 LEU A 562 -7.599 -18.895 11.214 1.00 0.00 H new ATOM 0 HD21 LEU A 562 -4.626 -18.081 11.765 1.00 0.00 H new ATOM 0 HD22 LEU A 562 -5.001 -19.592 10.903 1.00 0.00 H new ATOM 0 HD23 LEU A 562 -3.938 -18.379 10.151 1.00 0.00 H new ATOM 208 N GLU A 563 -8.455 -20.741 9.120 1.00 0.00 N ATOM 209 CA GLU A 563 -9.485 -21.502 9.865 1.00 0.00 C ATOM 210 C GLU A 563 -9.276 -23.022 9.719 1.00 0.00 C ATOM 211 O GLU A 563 -9.444 -23.777 10.685 1.00 0.00 O ATOM 212 CB GLU A 563 -10.885 -21.117 9.358 1.00 0.00 C ATOM 213 CG GLU A 563 -11.263 -19.645 9.569 1.00 0.00 C ATOM 214 CD GLU A 563 -12.657 -19.321 9.013 1.00 0.00 C ATOM 215 OE1 GLU A 563 -13.662 -19.663 9.678 1.00 0.00 O ATOM 216 OE2 GLU A 563 -12.753 -18.773 7.893 1.00 0.00 O ATOM 0 H GLU A 563 -8.840 -20.143 8.389 1.00 0.00 H new ATOM 0 HA GLU A 563 -9.394 -21.249 10.921 1.00 0.00 H new ATOM 0 HB2 GLU A 563 -10.946 -21.344 8.294 1.00 0.00 H new ATOM 0 HB3 GLU A 563 -11.623 -21.743 9.860 1.00 0.00 H new ATOM 0 HG2 GLU A 563 -11.235 -19.413 10.634 1.00 0.00 H new ATOM 0 HG3 GLU A 563 -10.523 -19.008 9.084 1.00 0.00 H new ATOM 223 N GLN A 564 -8.898 -23.441 8.498 1.00 0.00 N ATOM 224 CA GLN A 564 -8.529 -24.836 8.190 1.00 0.00 C ATOM 225 C GLN A 564 -7.381 -25.278 9.110 1.00 0.00 C ATOM 226 O GLN A 564 -7.480 -26.298 9.790 1.00 0.00 O ATOM 227 CB GLN A 564 -8.164 -24.958 6.674 1.00 0.00 C ATOM 228 CG GLN A 564 -7.605 -26.322 6.182 1.00 0.00 C ATOM 229 CD GLN A 564 -6.071 -26.428 6.219 1.00 0.00 C ATOM 230 OE1 GLN A 564 -5.489 -26.878 7.204 1.00 0.00 O ATOM 231 NE2 GLN A 564 -5.413 -25.960 5.163 1.00 0.00 N ATOM 0 H GLN A 564 -8.839 -22.818 7.692 1.00 0.00 H new ATOM 0 HA GLN A 564 -9.370 -25.504 8.376 1.00 0.00 H new ATOM 0 HB2 GLN A 564 -9.058 -24.730 6.093 1.00 0.00 H new ATOM 0 HB3 GLN A 564 -7.428 -24.188 6.441 1.00 0.00 H new ATOM 0 HG2 GLN A 564 -8.027 -27.117 6.796 1.00 0.00 H new ATOM 0 HG3 GLN A 564 -7.945 -26.494 5.161 1.00 0.00 H new ATOM 0 HE21 GLN A 564 -5.928 -25.594 4.362 1.00 0.00 H new ATOM 0 HE22 GLN A 564 -4.393 -25.967 5.153 1.00 0.00 H new ATOM 240 N ALA A 565 -6.345 -24.437 9.184 1.00 0.00 N ATOM 241 CA ALA A 565 -5.114 -24.725 9.934 1.00 0.00 C ATOM 242 C ALA A 565 -5.354 -24.715 11.466 1.00 0.00 C ATOM 243 O ALA A 565 -4.678 -25.429 12.210 1.00 0.00 O ATOM 244 CB ALA A 565 -4.035 -23.715 9.530 1.00 0.00 C ATOM 0 H ALA A 565 -6.335 -23.528 8.721 1.00 0.00 H new ATOM 0 HA ALA A 565 -4.778 -25.731 9.684 1.00 0.00 H new ATOM 0 HB1 ALA A 565 -3.118 -23.922 10.082 1.00 0.00 H new ATOM 0 HB2 ALA A 565 -3.841 -23.798 8.461 1.00 0.00 H new ATOM 0 HB3 ALA A 565 -4.377 -22.706 9.760 1.00 0.00 H new ATOM 250 N LEU A 566 -6.337 -23.914 11.926 1.00 0.00 N ATOM 251 CA LEU A 566 -6.703 -23.833 13.361 1.00 0.00 C ATOM 252 C LEU A 566 -7.256 -25.173 13.884 1.00 0.00 C ATOM 253 O LEU A 566 -7.015 -25.549 15.031 1.00 0.00 O ATOM 254 CB LEU A 566 -7.760 -22.725 13.598 1.00 0.00 C ATOM 255 CG LEU A 566 -7.312 -21.260 13.316 1.00 0.00 C ATOM 256 CD1 LEU A 566 -8.501 -20.288 13.451 1.00 0.00 C ATOM 257 CD2 LEU A 566 -6.134 -20.849 14.222 1.00 0.00 C ATOM 0 H LEU A 566 -6.896 -23.310 11.323 1.00 0.00 H new ATOM 0 HA LEU A 566 -5.791 -23.593 13.907 1.00 0.00 H new ATOM 0 HB2 LEU A 566 -8.627 -22.942 12.974 1.00 0.00 H new ATOM 0 HB3 LEU A 566 -8.091 -22.786 14.635 1.00 0.00 H new ATOM 0 HG LEU A 566 -6.957 -21.208 12.287 1.00 0.00 H new ATOM 0 HD11 LEU A 566 -8.164 -19.271 13.250 1.00 0.00 H new ATOM 0 HD12 LEU A 566 -9.277 -20.561 12.736 1.00 0.00 H new ATOM 0 HD13 LEU A 566 -8.903 -20.343 14.463 1.00 0.00 H new ATOM 0 HD21 LEU A 566 -5.846 -19.822 14.000 1.00 0.00 H new ATOM 0 HD22 LEU A 566 -6.435 -20.924 15.267 1.00 0.00 H new ATOM 0 HD23 LEU A 566 -5.287 -21.511 14.040 1.00 0.00 H new ATOM 269 N LYS A 567 -8.041 -25.857 13.035 1.00 0.00 N ATOM 270 CA LYS A 567 -8.732 -27.112 13.408 1.00 0.00 C ATOM 271 C LYS A 567 -7.897 -28.351 13.013 1.00 0.00 C ATOM 272 O LYS A 567 -8.049 -29.415 13.625 1.00 0.00 O ATOM 273 CB LYS A 567 -10.172 -27.169 12.796 1.00 0.00 C ATOM 274 CG LYS A 567 -11.232 -26.262 13.504 1.00 0.00 C ATOM 275 CD LYS A 567 -10.966 -24.744 13.350 1.00 0.00 C ATOM 276 CE LYS A 567 -11.933 -23.863 14.171 1.00 0.00 C ATOM 277 NZ LYS A 567 -13.350 -24.012 13.742 1.00 0.00 N ATOM 0 H LYS A 567 -8.217 -25.561 12.075 1.00 0.00 H new ATOM 0 HA LYS A 567 -8.837 -27.124 14.493 1.00 0.00 H new ATOM 0 HB2 LYS A 567 -10.115 -26.882 11.746 1.00 0.00 H new ATOM 0 HB3 LYS A 567 -10.522 -28.201 12.826 1.00 0.00 H new ATOM 0 HG2 LYS A 567 -12.218 -26.490 13.100 1.00 0.00 H new ATOM 0 HG3 LYS A 567 -11.257 -26.510 14.565 1.00 0.00 H new ATOM 0 HD2 LYS A 567 -9.942 -24.530 13.657 1.00 0.00 H new ATOM 0 HD3 LYS A 567 -11.046 -24.474 12.297 1.00 0.00 H new ATOM 0 HE2 LYS A 567 -11.848 -24.123 15.226 1.00 0.00 H new ATOM 0 HE3 LYS A 567 -11.637 -22.818 14.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 567 -13.955 -23.400 14.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 567 -13.441 -23.738 12.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 567 -13.646 -25.002 13.858 1.00 0.00 H new ATOM 291 N THR A 568 -7.024 -28.208 11.994 1.00 0.00 N ATOM 292 CA THR A 568 -6.083 -29.282 11.587 1.00 0.00 C ATOM 293 C THR A 568 -4.982 -29.462 12.656 1.00 0.00 C ATOM 294 O THR A 568 -4.625 -30.590 13.021 1.00 0.00 O ATOM 295 CB THR A 568 -5.444 -28.975 10.186 1.00 0.00 C ATOM 296 OG1 THR A 568 -6.485 -28.873 9.200 1.00 0.00 O ATOM 297 CG2 THR A 568 -4.428 -30.050 9.737 1.00 0.00 C ATOM 0 H THR A 568 -6.948 -27.358 11.435 1.00 0.00 H new ATOM 0 HA THR A 568 -6.646 -30.212 11.502 1.00 0.00 H new ATOM 0 HB THR A 568 -4.901 -28.035 10.282 1.00 0.00 H new ATOM 0 HG1 THR A 568 -6.934 -28.006 9.287 1.00 0.00 H new ATOM 0 HG21 THR A 568 -4.021 -29.782 8.762 1.00 0.00 H new ATOM 0 HG22 THR A 568 -3.618 -30.111 10.464 1.00 0.00 H new ATOM 0 HG23 THR A 568 -4.927 -31.016 9.668 1.00 0.00 H new ATOM 305 N TYR A 569 -4.457 -28.323 13.151 1.00 0.00 N ATOM 306 CA TYR A 569 -3.474 -28.289 14.246 1.00 0.00 C ATOM 307 C TYR A 569 -4.209 -27.790 15.506 1.00 0.00 C ATOM 308 O TYR A 569 -4.501 -26.589 15.593 1.00 0.00 O ATOM 309 CB TYR A 569 -2.274 -27.352 13.888 1.00 0.00 C ATOM 310 CG TYR A 569 -1.811 -27.465 12.426 1.00 0.00 C ATOM 311 CD1 TYR A 569 -1.335 -28.675 11.904 1.00 0.00 C ATOM 312 CD2 TYR A 569 -1.888 -26.375 11.557 1.00 0.00 C ATOM 313 CE1 TYR A 569 -0.948 -28.784 10.582 1.00 0.00 C ATOM 314 CE2 TYR A 569 -1.509 -26.486 10.233 1.00 0.00 C ATOM 315 CZ TYR A 569 -1.037 -27.690 9.752 1.00 0.00 C ATOM 316 OH TYR A 569 -0.651 -27.800 8.436 1.00 0.00 O ATOM 0 H TYR A 569 -4.706 -27.399 12.799 1.00 0.00 H new ATOM 0 HA TYR A 569 -3.058 -29.282 14.418 1.00 0.00 H new ATOM 0 HB2 TYR A 569 -2.559 -26.319 14.090 1.00 0.00 H new ATOM 0 HB3 TYR A 569 -1.435 -27.585 14.544 1.00 0.00 H new ATOM 0 HD1 TYR A 569 -1.269 -29.540 12.548 1.00 0.00 H new ATOM 0 HD2 TYR A 569 -2.251 -25.427 11.927 1.00 0.00 H new ATOM 0 HE1 TYR A 569 -0.577 -29.724 10.202 1.00 0.00 H new ATOM 0 HE2 TYR A 569 -1.582 -25.632 9.576 1.00 0.00 H new ATOM 0 HH TYR A 569 -0.801 -28.718 8.127 1.00 0.00 H new ATOM 326 N PRO A 570 -4.566 -28.697 16.477 1.00 0.00 N ATOM 327 CA PRO A 570 -5.335 -28.320 17.693 1.00 0.00 C ATOM 328 C PRO A 570 -4.577 -27.327 18.603 1.00 0.00 C ATOM 329 O PRO A 570 -3.365 -27.118 18.451 1.00 0.00 O ATOM 330 CB PRO A 570 -5.583 -29.682 18.403 1.00 0.00 C ATOM 331 CG PRO A 570 -4.488 -30.568 17.902 1.00 0.00 C ATOM 332 CD PRO A 570 -4.255 -30.152 16.466 1.00 0.00 C ATOM 0 HA PRO A 570 -6.256 -27.792 17.446 1.00 0.00 H new ATOM 0 HB2 PRO A 570 -5.545 -29.578 19.487 1.00 0.00 H new ATOM 0 HB3 PRO A 570 -6.565 -30.086 18.156 1.00 0.00 H new ATOM 0 HG2 PRO A 570 -3.583 -30.448 18.497 1.00 0.00 H new ATOM 0 HG3 PRO A 570 -4.773 -31.618 17.965 1.00 0.00 H new ATOM 0 HD2 PRO A 570 -3.228 -30.342 16.154 1.00 0.00 H new ATOM 0 HD3 PRO A 570 -4.903 -30.697 15.779 1.00 0.00 H new ATOM 340 N VAL A 571 -5.314 -26.745 19.561 1.00 0.00 N ATOM 341 CA VAL A 571 -4.809 -25.675 20.446 1.00 0.00 C ATOM 342 C VAL A 571 -3.676 -26.174 21.385 1.00 0.00 C ATOM 343 O VAL A 571 -2.807 -25.389 21.796 1.00 0.00 O ATOM 344 CB VAL A 571 -5.990 -25.040 21.284 1.00 0.00 C ATOM 345 CG1 VAL A 571 -6.613 -26.061 22.285 1.00 0.00 C ATOM 346 CG2 VAL A 571 -5.536 -23.729 21.989 1.00 0.00 C ATOM 0 H VAL A 571 -6.283 -27.002 19.748 1.00 0.00 H new ATOM 0 HA VAL A 571 -4.379 -24.905 19.806 1.00 0.00 H new ATOM 0 HB VAL A 571 -6.782 -24.775 20.584 1.00 0.00 H new ATOM 0 HG11 VAL A 571 -7.420 -25.581 22.839 1.00 0.00 H new ATOM 0 HG12 VAL A 571 -7.008 -26.915 21.735 1.00 0.00 H new ATOM 0 HG13 VAL A 571 -5.847 -26.401 22.982 1.00 0.00 H new ATOM 0 HG21 VAL A 571 -6.368 -23.315 22.558 1.00 0.00 H new ATOM 0 HG22 VAL A 571 -4.708 -23.947 22.664 1.00 0.00 H new ATOM 0 HG23 VAL A 571 -5.213 -23.006 21.240 1.00 0.00 H new ATOM 356 N ASN A 572 -3.691 -27.489 21.684 1.00 0.00 N ATOM 357 CA ASN A 572 -2.697 -28.143 22.569 1.00 0.00 C ATOM 358 C ASN A 572 -1.315 -28.243 21.891 1.00 0.00 C ATOM 359 O ASN A 572 -0.297 -28.372 22.579 1.00 0.00 O ATOM 360 CB ASN A 572 -3.198 -29.548 22.982 1.00 0.00 C ATOM 361 CG ASN A 572 -4.553 -29.511 23.685 1.00 0.00 C ATOM 362 OD1 ASN A 572 -5.597 -29.564 23.039 1.00 0.00 O ATOM 363 ND2 ASN A 572 -4.551 -29.389 25.006 1.00 0.00 N ATOM 0 H ASN A 572 -4.394 -28.132 21.319 1.00 0.00 H new ATOM 0 HA ASN A 572 -2.583 -27.527 23.461 1.00 0.00 H new ATOM 0 HB2 ASN A 572 -3.271 -30.178 22.095 1.00 0.00 H new ATOM 0 HB3 ASN A 572 -2.464 -30.011 23.642 1.00 0.00 H new ATOM 0 HD21 ASN A 572 -5.434 -29.336 25.515 1.00 0.00 H new ATOM 0 HD22 ASN A 572 -3.667 -29.348 25.513 1.00 0.00 H new ATOM 370 N THR A 573 -1.296 -28.184 20.547 1.00 0.00 N ATOM 371 CA THR A 573 -0.054 -28.194 19.755 1.00 0.00 C ATOM 372 C THR A 573 0.694 -26.846 19.941 1.00 0.00 C ATOM 373 O THR A 573 0.140 -25.800 19.599 1.00 0.00 O ATOM 374 CB THR A 573 -0.379 -28.433 18.236 1.00 0.00 C ATOM 375 OG1 THR A 573 -1.149 -29.642 18.091 1.00 0.00 O ATOM 376 CG2 THR A 573 0.892 -28.523 17.356 1.00 0.00 C ATOM 0 H THR A 573 -2.142 -28.128 19.980 1.00 0.00 H new ATOM 0 HA THR A 573 0.585 -29.006 20.102 1.00 0.00 H new ATOM 0 HB THR A 573 -0.950 -27.571 17.892 1.00 0.00 H new ATOM 0 HG1 THR A 573 -1.352 -29.789 17.144 1.00 0.00 H new ATOM 0 HG21 THR A 573 0.605 -28.689 16.318 1.00 0.00 H new ATOM 0 HG22 THR A 573 1.454 -27.592 17.433 1.00 0.00 H new ATOM 0 HG23 THR A 573 1.513 -29.351 17.697 1.00 0.00 H new ATOM 384 N PRO A 574 1.954 -26.837 20.510 1.00 0.00 N ATOM 385 CA PRO A 574 2.754 -25.588 20.647 1.00 0.00 C ATOM 386 C PRO A 574 3.289 -25.107 19.277 1.00 0.00 C ATOM 387 O PRO A 574 3.530 -23.914 19.058 1.00 0.00 O ATOM 388 CB PRO A 574 3.895 -26.002 21.609 1.00 0.00 C ATOM 389 CG PRO A 574 4.076 -27.470 21.361 1.00 0.00 C ATOM 390 CD PRO A 574 2.689 -28.013 21.061 1.00 0.00 C ATOM 0 HA PRO A 574 2.176 -24.745 21.025 1.00 0.00 H new ATOM 0 HB2 PRO A 574 4.810 -25.448 21.402 1.00 0.00 H new ATOM 0 HB3 PRO A 574 3.631 -25.804 22.648 1.00 0.00 H new ATOM 0 HG2 PRO A 574 4.754 -27.645 20.525 1.00 0.00 H new ATOM 0 HG3 PRO A 574 4.509 -27.963 22.231 1.00 0.00 H new ATOM 0 HD2 PRO A 574 2.727 -28.832 20.343 1.00 0.00 H new ATOM 0 HD3 PRO A 574 2.208 -28.399 21.960 1.00 0.00 H new ATOM 398 N GLU A 575 3.428 -26.067 18.342 1.00 0.00 N ATOM 399 CA GLU A 575 3.839 -25.806 16.956 1.00 0.00 C ATOM 400 C GLU A 575 2.639 -25.398 16.081 1.00 0.00 C ATOM 401 O GLU A 575 2.784 -25.347 14.864 1.00 0.00 O ATOM 402 CB GLU A 575 4.509 -27.064 16.341 1.00 0.00 C ATOM 403 CG GLU A 575 5.796 -27.540 17.032 1.00 0.00 C ATOM 404 CD GLU A 575 6.455 -28.715 16.283 1.00 0.00 C ATOM 405 OE1 GLU A 575 5.965 -29.857 16.404 1.00 0.00 O ATOM 406 OE2 GLU A 575 7.450 -28.494 15.554 1.00 0.00 O ATOM 0 H GLU A 575 3.255 -27.054 18.533 1.00 0.00 H new ATOM 0 HA GLU A 575 4.553 -24.983 16.980 1.00 0.00 H new ATOM 0 HB2 GLU A 575 3.787 -27.881 16.356 1.00 0.00 H new ATOM 0 HB3 GLU A 575 4.735 -26.857 15.295 1.00 0.00 H new ATOM 0 HG2 GLU A 575 6.501 -26.711 17.096 1.00 0.00 H new ATOM 0 HG3 GLU A 575 5.567 -27.844 18.053 1.00 0.00 H new ATOM 413 N ARG A 576 1.464 -25.110 16.702 1.00 0.00 N ATOM 414 CA ARG A 576 0.208 -24.799 15.971 1.00 0.00 C ATOM 415 C ARG A 576 0.453 -23.707 14.911 1.00 0.00 C ATOM 416 O ARG A 576 0.335 -23.956 13.715 1.00 0.00 O ATOM 417 CB ARG A 576 -0.905 -24.319 16.950 1.00 0.00 C ATOM 418 CG ARG A 576 -2.316 -24.243 16.325 1.00 0.00 C ATOM 419 CD ARG A 576 -3.325 -23.563 17.256 1.00 0.00 C ATOM 420 NE ARG A 576 -4.727 -23.760 16.844 1.00 0.00 N ATOM 421 CZ ARG A 576 -5.782 -23.343 17.557 1.00 0.00 C ATOM 422 NH1 ARG A 576 -5.615 -22.679 18.700 1.00 0.00 N ATOM 423 NH2 ARG A 576 -7.005 -23.610 17.144 1.00 0.00 N ATOM 0 H ARG A 576 1.362 -25.087 17.717 1.00 0.00 H new ATOM 0 HA ARG A 576 -0.121 -25.715 15.480 1.00 0.00 H new ATOM 0 HB2 ARG A 576 -0.936 -24.994 17.805 1.00 0.00 H new ATOM 0 HB3 ARG A 576 -0.636 -23.334 17.331 1.00 0.00 H new ATOM 0 HG2 ARG A 576 -2.266 -23.695 15.384 1.00 0.00 H new ATOM 0 HG3 ARG A 576 -2.662 -25.249 16.090 1.00 0.00 H new ATOM 0 HD2 ARG A 576 -3.193 -23.949 18.267 1.00 0.00 H new ATOM 0 HD3 ARG A 576 -3.112 -22.495 17.293 1.00 0.00 H new ATOM 0 HE ARG A 576 -4.904 -24.243 15.963 1.00 0.00 H new ATOM 0 HH11 ARG A 576 -4.675 -22.482 19.043 1.00 0.00 H new ATOM 0 HH12 ARG A 576 -6.427 -22.368 19.232 1.00 0.00 H new ATOM 0 HH21 ARG A 576 -7.149 -24.134 16.281 1.00 0.00 H new ATOM 0 HH22 ARG A 576 -7.808 -23.292 17.687 1.00 0.00 H new ATOM 437 N TRP A 577 0.923 -22.549 15.395 1.00 0.00 N ATOM 438 CA TRP A 577 1.127 -21.333 14.583 1.00 0.00 C ATOM 439 C TRP A 577 2.318 -21.487 13.618 1.00 0.00 C ATOM 440 O TRP A 577 2.364 -20.848 12.561 1.00 0.00 O ATOM 441 CB TRP A 577 1.316 -20.121 15.535 1.00 0.00 C ATOM 442 CG TRP A 577 0.246 -20.057 16.602 1.00 0.00 C ATOM 443 CD1 TRP A 577 0.367 -20.409 17.923 1.00 0.00 C ATOM 444 CD2 TRP A 577 -1.119 -19.672 16.417 1.00 0.00 C ATOM 445 NE1 TRP A 577 -0.840 -20.266 18.559 1.00 0.00 N ATOM 446 CE2 TRP A 577 -1.767 -19.817 17.657 1.00 0.00 C ATOM 447 CE3 TRP A 577 -1.851 -19.220 15.318 1.00 0.00 C ATOM 448 CZ2 TRP A 577 -3.116 -19.524 17.822 1.00 0.00 C ATOM 449 CZ3 TRP A 577 -3.184 -18.933 15.486 1.00 0.00 C ATOM 450 CH2 TRP A 577 -3.803 -19.091 16.726 1.00 0.00 C ATOM 0 H TRP A 577 1.177 -22.425 16.375 1.00 0.00 H new ATOM 0 HA TRP A 577 0.248 -21.167 13.960 1.00 0.00 H new ATOM 0 HB2 TRP A 577 2.295 -20.184 16.009 1.00 0.00 H new ATOM 0 HB3 TRP A 577 1.302 -19.199 14.953 1.00 0.00 H new ATOM 0 HD1 TRP A 577 1.278 -20.749 18.393 1.00 0.00 H new ATOM 0 HE1 TRP A 577 -1.018 -20.462 19.544 1.00 0.00 H new ATOM 0 HE3 TRP A 577 -1.379 -19.098 14.354 1.00 0.00 H new ATOM 0 HZ2 TRP A 577 -3.601 -19.635 18.781 1.00 0.00 H new ATOM 0 HZ3 TRP A 577 -3.762 -18.579 14.645 1.00 0.00 H new ATOM 0 HH2 TRP A 577 -4.855 -18.864 16.821 1.00 0.00 H new ATOM 461 N LYS A 578 3.251 -22.380 13.987 1.00 0.00 N ATOM 462 CA LYS A 578 4.431 -22.706 13.164 1.00 0.00 C ATOM 463 C LYS A 578 3.992 -23.484 11.908 1.00 0.00 C ATOM 464 O LYS A 578 4.506 -23.266 10.812 1.00 0.00 O ATOM 465 CB LYS A 578 5.442 -23.560 13.973 1.00 0.00 C ATOM 466 CG LYS A 578 5.820 -23.007 15.369 1.00 0.00 C ATOM 467 CD LYS A 578 6.356 -21.553 15.347 1.00 0.00 C ATOM 468 CE LYS A 578 6.826 -21.083 16.736 1.00 0.00 C ATOM 469 NZ LYS A 578 7.256 -19.666 16.724 1.00 0.00 N ATOM 0 H LYS A 578 3.210 -22.898 14.865 1.00 0.00 H new ATOM 0 HA LYS A 578 4.914 -21.775 12.869 1.00 0.00 H new ATOM 0 HB2 LYS A 578 5.027 -24.560 14.099 1.00 0.00 H new ATOM 0 HB3 LYS A 578 6.354 -23.665 13.385 1.00 0.00 H new ATOM 0 HG2 LYS A 578 4.943 -23.050 16.015 1.00 0.00 H new ATOM 0 HG3 LYS A 578 6.576 -23.655 15.813 1.00 0.00 H new ATOM 0 HD2 LYS A 578 7.185 -21.484 14.643 1.00 0.00 H new ATOM 0 HD3 LYS A 578 5.574 -20.885 14.985 1.00 0.00 H new ATOM 0 HE2 LYS A 578 6.017 -21.211 17.455 1.00 0.00 H new ATOM 0 HE3 LYS A 578 7.652 -21.710 17.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 578 7.565 -19.389 17.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 578 8.045 -19.548 16.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 578 6.461 -19.064 16.429 1.00 0.00 H new ATOM 483 N LYS A 579 3.030 -24.401 12.108 1.00 0.00 N ATOM 484 CA LYS A 579 2.448 -25.218 11.033 1.00 0.00 C ATOM 485 C LYS A 579 1.396 -24.418 10.249 1.00 0.00 C ATOM 486 O LYS A 579 1.077 -24.753 9.109 1.00 0.00 O ATOM 487 CB LYS A 579 1.838 -26.512 11.625 1.00 0.00 C ATOM 488 CG LYS A 579 2.833 -27.378 12.424 1.00 0.00 C ATOM 489 CD LYS A 579 2.248 -28.740 12.864 1.00 0.00 C ATOM 490 CE LYS A 579 3.225 -29.550 13.739 1.00 0.00 C ATOM 491 NZ LYS A 579 4.551 -29.744 13.088 1.00 0.00 N ATOM 0 H LYS A 579 2.633 -24.596 13.027 1.00 0.00 H new ATOM 0 HA LYS A 579 3.238 -25.496 10.335 1.00 0.00 H new ATOM 0 HB2 LYS A 579 1.006 -26.242 12.276 1.00 0.00 H new ATOM 0 HB3 LYS A 579 1.426 -27.110 10.812 1.00 0.00 H new ATOM 0 HG2 LYS A 579 3.721 -27.552 11.816 1.00 0.00 H new ATOM 0 HG3 LYS A 579 3.154 -26.827 13.308 1.00 0.00 H new ATOM 0 HD2 LYS A 579 1.324 -28.573 13.417 1.00 0.00 H new ATOM 0 HD3 LYS A 579 1.989 -29.323 11.980 1.00 0.00 H new ATOM 0 HE2 LYS A 579 3.363 -29.039 14.692 1.00 0.00 H new ATOM 0 HE3 LYS A 579 2.787 -30.523 13.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 579 5.134 -30.378 13.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 579 4.417 -30.164 12.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 579 5.029 -28.825 12.992 1.00 0.00 H new ATOM 505 N ILE A 580 0.834 -23.376 10.891 1.00 0.00 N ATOM 506 CA ILE A 580 -0.066 -22.395 10.245 1.00 0.00 C ATOM 507 C ILE A 580 0.739 -21.490 9.284 1.00 0.00 C ATOM 508 O ILE A 580 0.212 -21.002 8.285 1.00 0.00 O ATOM 509 CB ILE A 580 -0.852 -21.562 11.343 1.00 0.00 C ATOM 510 CG1 ILE A 580 -1.863 -22.503 12.082 1.00 0.00 C ATOM 511 CG2 ILE A 580 -1.563 -20.307 10.774 1.00 0.00 C ATOM 512 CD1 ILE A 580 -2.677 -21.877 13.195 1.00 0.00 C ATOM 0 H ILE A 580 0.992 -23.188 11.881 1.00 0.00 H new ATOM 0 HA ILE A 580 -0.811 -22.921 9.649 1.00 0.00 H new ATOM 0 HB ILE A 580 -0.117 -21.180 12.052 1.00 0.00 H new ATOM 0 HG12 ILE A 580 -2.552 -22.911 11.343 1.00 0.00 H new ATOM 0 HG13 ILE A 580 -1.306 -23.343 12.497 1.00 0.00 H new ATOM 0 HG21 ILE A 580 -2.080 -19.785 11.579 1.00 0.00 H new ATOM 0 HG22 ILE A 580 -0.824 -19.642 10.326 1.00 0.00 H new ATOM 0 HG23 ILE A 580 -2.285 -20.610 10.016 1.00 0.00 H new ATOM 0 HD11 ILE A 580 -3.339 -22.627 13.628 1.00 0.00 H new ATOM 0 HD12 ILE A 580 -2.007 -21.496 13.966 1.00 0.00 H new ATOM 0 HD13 ILE A 580 -3.272 -21.057 12.793 1.00 0.00 H new ATOM 524 N ALA A 581 2.036 -21.299 9.586 1.00 0.00 N ATOM 525 CA ALA A 581 2.992 -20.654 8.655 1.00 0.00 C ATOM 526 C ALA A 581 3.159 -21.486 7.367 1.00 0.00 C ATOM 527 O ALA A 581 3.338 -20.932 6.277 1.00 0.00 O ATOM 528 CB ALA A 581 4.355 -20.436 9.335 1.00 0.00 C ATOM 0 H ALA A 581 2.452 -21.583 10.473 1.00 0.00 H new ATOM 0 HA ALA A 581 2.584 -19.681 8.380 1.00 0.00 H new ATOM 0 HB1 ALA A 581 5.040 -19.961 8.633 1.00 0.00 H new ATOM 0 HB2 ALA A 581 4.228 -19.795 10.207 1.00 0.00 H new ATOM 0 HB3 ALA A 581 4.764 -21.397 9.647 1.00 0.00 H new ATOM 534 N GLU A 582 3.091 -22.818 7.524 1.00 0.00 N ATOM 535 CA GLU A 582 3.202 -23.775 6.408 1.00 0.00 C ATOM 536 C GLU A 582 1.871 -23.856 5.628 1.00 0.00 C ATOM 537 O GLU A 582 1.860 -23.925 4.393 1.00 0.00 O ATOM 538 CB GLU A 582 3.588 -25.180 6.955 1.00 0.00 C ATOM 539 CG GLU A 582 4.821 -25.205 7.884 1.00 0.00 C ATOM 540 CD GLU A 582 6.096 -24.639 7.238 1.00 0.00 C ATOM 541 OE1 GLU A 582 6.635 -25.278 6.310 1.00 0.00 O ATOM 542 OE2 GLU A 582 6.560 -23.545 7.639 1.00 0.00 O ATOM 0 H GLU A 582 2.957 -23.264 8.431 1.00 0.00 H new ATOM 0 HA GLU A 582 3.980 -23.430 5.727 1.00 0.00 H new ATOM 0 HB2 GLU A 582 2.735 -25.588 7.498 1.00 0.00 H new ATOM 0 HB3 GLU A 582 3.775 -25.843 6.110 1.00 0.00 H new ATOM 0 HG2 GLU A 582 4.597 -24.634 8.785 1.00 0.00 H new ATOM 0 HG3 GLU A 582 5.008 -26.232 8.196 1.00 0.00 H new ATOM 549 N ALA A 583 0.755 -23.841 6.377 1.00 0.00 N ATOM 550 CA ALA A 583 -0.603 -24.072 5.839 1.00 0.00 C ATOM 551 C ALA A 583 -1.201 -22.813 5.182 1.00 0.00 C ATOM 552 O ALA A 583 -2.013 -22.916 4.253 1.00 0.00 O ATOM 553 CB ALA A 583 -1.519 -24.583 6.967 1.00 0.00 C ATOM 0 H ALA A 583 0.767 -23.667 7.382 1.00 0.00 H new ATOM 0 HA ALA A 583 -0.527 -24.824 5.054 1.00 0.00 H new ATOM 0 HB1 ALA A 583 -2.521 -24.754 6.573 1.00 0.00 H new ATOM 0 HB2 ALA A 583 -1.121 -25.517 7.364 1.00 0.00 H new ATOM 0 HB3 ALA A 583 -1.564 -23.840 7.763 1.00 0.00 H new ATOM 559 N VAL A 584 -0.803 -21.630 5.680 1.00 0.00 N ATOM 560 CA VAL A 584 -1.363 -20.335 5.253 1.00 0.00 C ATOM 561 C VAL A 584 -0.217 -19.448 4.714 1.00 0.00 C ATOM 562 O VAL A 584 0.590 -18.938 5.507 1.00 0.00 O ATOM 563 CB VAL A 584 -2.103 -19.589 6.429 1.00 0.00 C ATOM 564 CG1 VAL A 584 -2.994 -18.452 5.891 1.00 0.00 C ATOM 565 CG2 VAL A 584 -2.915 -20.565 7.304 1.00 0.00 C ATOM 0 H VAL A 584 -0.080 -21.544 6.394 1.00 0.00 H new ATOM 0 HA VAL A 584 -2.102 -20.526 4.475 1.00 0.00 H new ATOM 0 HB VAL A 584 -1.337 -19.145 7.065 1.00 0.00 H new ATOM 0 HG11 VAL A 584 -3.492 -17.955 6.724 1.00 0.00 H new ATOM 0 HG12 VAL A 584 -2.378 -17.731 5.354 1.00 0.00 H new ATOM 0 HG13 VAL A 584 -3.743 -18.865 5.215 1.00 0.00 H new ATOM 0 HG21 VAL A 584 -3.410 -20.012 8.103 1.00 0.00 H new ATOM 0 HG22 VAL A 584 -3.664 -21.066 6.691 1.00 0.00 H new ATOM 0 HG23 VAL A 584 -2.246 -21.308 7.738 1.00 0.00 H new ATOM 575 N PRO A 585 -0.102 -19.278 3.358 1.00 0.00 N ATOM 576 CA PRO A 585 0.965 -18.460 2.737 1.00 0.00 C ATOM 577 C PRO A 585 0.752 -16.941 2.941 1.00 0.00 C ATOM 578 O PRO A 585 -0.388 -16.459 3.002 1.00 0.00 O ATOM 579 CB PRO A 585 0.899 -18.842 1.223 1.00 0.00 C ATOM 580 CG PRO A 585 -0.103 -19.965 1.116 1.00 0.00 C ATOM 581 CD PRO A 585 -0.993 -19.865 2.331 1.00 0.00 C ATOM 0 HA PRO A 585 1.937 -18.660 3.188 1.00 0.00 H new ATOM 0 HB2 PRO A 585 0.593 -17.988 0.619 1.00 0.00 H new ATOM 0 HB3 PRO A 585 1.877 -19.156 0.858 1.00 0.00 H new ATOM 0 HG2 PRO A 585 -0.687 -19.878 0.200 1.00 0.00 H new ATOM 0 HG3 PRO A 585 0.400 -20.931 1.082 1.00 0.00 H new ATOM 0 HD2 PRO A 585 -1.861 -19.233 2.143 1.00 0.00 H new ATOM 0 HD3 PRO A 585 -1.369 -20.842 2.636 1.00 0.00 H new ATOM 589 N GLY A 586 1.870 -16.203 3.059 1.00 0.00 N ATOM 590 CA GLY A 586 1.866 -14.731 3.069 1.00 0.00 C ATOM 591 C GLY A 586 1.406 -14.086 4.382 1.00 0.00 C ATOM 592 O GLY A 586 1.318 -12.850 4.468 1.00 0.00 O ATOM 0 H GLY A 586 2.801 -16.611 3.150 1.00 0.00 H new ATOM 0 HA2 GLY A 586 2.873 -14.380 2.844 1.00 0.00 H new ATOM 0 HA3 GLY A 586 1.219 -14.380 2.265 1.00 0.00 H new ATOM 596 N ARG A 587 1.106 -14.911 5.406 1.00 0.00 N ATOM 597 CA ARG A 587 0.571 -14.424 6.698 1.00 0.00 C ATOM 598 C ARG A 587 1.618 -14.463 7.804 1.00 0.00 C ATOM 599 O ARG A 587 2.571 -15.244 7.756 1.00 0.00 O ATOM 600 CB ARG A 587 -0.687 -15.235 7.111 1.00 0.00 C ATOM 601 CG ARG A 587 -1.920 -15.071 6.183 1.00 0.00 C ATOM 602 CD ARG A 587 -2.431 -13.612 6.072 1.00 0.00 C ATOM 603 NE ARG A 587 -1.615 -12.792 5.154 1.00 0.00 N ATOM 604 CZ ARG A 587 -2.040 -11.752 4.440 1.00 0.00 C ATOM 605 NH1 ARG A 587 -3.300 -11.349 4.507 1.00 0.00 N ATOM 606 NH2 ARG A 587 -1.187 -11.110 3.660 1.00 0.00 N ATOM 0 H ARG A 587 1.225 -15.923 5.364 1.00 0.00 H new ATOM 0 HA ARG A 587 0.288 -13.381 6.556 1.00 0.00 H new ATOM 0 HB2 ARG A 587 -0.421 -16.291 7.150 1.00 0.00 H new ATOM 0 HB3 ARG A 587 -0.972 -14.941 8.121 1.00 0.00 H new ATOM 0 HG2 ARG A 587 -1.664 -15.433 5.187 1.00 0.00 H new ATOM 0 HG3 ARG A 587 -2.728 -15.702 6.553 1.00 0.00 H new ATOM 0 HD2 ARG A 587 -3.465 -13.618 5.726 1.00 0.00 H new ATOM 0 HD3 ARG A 587 -2.429 -13.154 7.061 1.00 0.00 H new ATOM 0 HE ARG A 587 -0.632 -13.047 5.058 1.00 0.00 H new ATOM 0 HH11 ARG A 587 -3.960 -11.837 5.112 1.00 0.00 H new ATOM 0 HH12 ARG A 587 -3.610 -10.550 3.954 1.00 0.00 H new ATOM 0 HH21 ARG A 587 -0.214 -11.413 3.610 1.00 0.00 H new ATOM 0 HH22 ARG A 587 -1.502 -10.312 3.108 1.00 0.00 H new ATOM 620 N THR A 588 1.427 -13.586 8.791 1.00 0.00 N ATOM 621 CA THR A 588 2.255 -13.539 9.999 1.00 0.00 C ATOM 622 C THR A 588 1.498 -14.224 11.150 1.00 0.00 C ATOM 623 O THR A 588 0.260 -14.196 11.188 1.00 0.00 O ATOM 624 CB THR A 588 2.582 -12.055 10.385 1.00 0.00 C ATOM 625 OG1 THR A 588 1.358 -11.350 10.616 1.00 0.00 O ATOM 626 CG2 THR A 588 3.409 -11.326 9.302 1.00 0.00 C ATOM 0 H THR A 588 0.688 -12.883 8.775 1.00 0.00 H new ATOM 0 HA THR A 588 3.195 -14.059 9.811 1.00 0.00 H new ATOM 0 HB THR A 588 3.190 -12.075 11.289 1.00 0.00 H new ATOM 0 HG1 THR A 588 1.556 -10.418 10.844 1.00 0.00 H new ATOM 0 HG21 THR A 588 3.606 -10.303 9.622 1.00 0.00 H new ATOM 0 HG22 THR A 588 4.354 -11.848 9.153 1.00 0.00 H new ATOM 0 HG23 THR A 588 2.851 -11.312 8.366 1.00 0.00 H new ATOM 634 N LYS A 589 2.246 -14.809 12.101 1.00 0.00 N ATOM 635 CA LYS A 589 1.663 -15.603 13.204 1.00 0.00 C ATOM 636 C LYS A 589 0.914 -14.704 14.194 1.00 0.00 C ATOM 637 O LYS A 589 -0.082 -15.126 14.765 1.00 0.00 O ATOM 638 CB LYS A 589 2.754 -16.453 13.922 1.00 0.00 C ATOM 639 CG LYS A 589 3.218 -17.757 13.184 1.00 0.00 C ATOM 640 CD LYS A 589 3.966 -17.534 11.834 1.00 0.00 C ATOM 641 CE LYS A 589 3.040 -17.440 10.592 1.00 0.00 C ATOM 642 NZ LYS A 589 3.806 -17.120 9.357 1.00 0.00 N ATOM 0 H LYS A 589 3.264 -14.748 12.130 1.00 0.00 H new ATOM 0 HA LYS A 589 0.939 -16.294 12.773 1.00 0.00 H new ATOM 0 HB2 LYS A 589 3.628 -15.822 14.083 1.00 0.00 H new ATOM 0 HB3 LYS A 589 2.377 -16.733 14.906 1.00 0.00 H new ATOM 0 HG2 LYS A 589 3.870 -18.319 13.852 1.00 0.00 H new ATOM 0 HG3 LYS A 589 2.342 -18.378 12.996 1.00 0.00 H new ATOM 0 HD2 LYS A 589 4.551 -16.617 11.905 1.00 0.00 H new ATOM 0 HD3 LYS A 589 4.671 -18.352 11.685 1.00 0.00 H new ATOM 0 HE2 LYS A 589 2.513 -18.385 10.459 1.00 0.00 H new ATOM 0 HE3 LYS A 589 2.283 -16.674 10.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 589 3.372 -16.303 8.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 589 4.789 -16.892 9.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 589 3.793 -17.940 8.718 1.00 0.00 H new ATOM 656 N LYS A 590 1.398 -13.462 14.359 1.00 0.00 N ATOM 657 CA LYS A 590 0.728 -12.437 15.180 1.00 0.00 C ATOM 658 C LYS A 590 -0.686 -12.104 14.640 1.00 0.00 C ATOM 659 O LYS A 590 -1.625 -11.934 15.420 1.00 0.00 O ATOM 660 CB LYS A 590 1.602 -11.155 15.267 1.00 0.00 C ATOM 661 CG LYS A 590 2.069 -10.587 13.902 1.00 0.00 C ATOM 662 CD LYS A 590 2.815 -9.235 14.029 1.00 0.00 C ATOM 663 CE LYS A 590 1.896 -8.093 14.504 1.00 0.00 C ATOM 664 NZ LYS A 590 0.811 -7.809 13.524 1.00 0.00 N ATOM 0 H LYS A 590 2.264 -13.139 13.928 1.00 0.00 H new ATOM 0 HA LYS A 590 0.605 -12.844 16.184 1.00 0.00 H new ATOM 0 HB2 LYS A 590 1.038 -10.383 15.791 1.00 0.00 H new ATOM 0 HB3 LYS A 590 2.481 -11.373 15.873 1.00 0.00 H new ATOM 0 HG2 LYS A 590 2.723 -11.312 13.418 1.00 0.00 H new ATOM 0 HG3 LYS A 590 1.202 -10.457 13.254 1.00 0.00 H new ATOM 0 HD2 LYS A 590 3.643 -9.345 14.730 1.00 0.00 H new ATOM 0 HD3 LYS A 590 3.247 -8.971 13.064 1.00 0.00 H new ATOM 0 HE2 LYS A 590 1.456 -8.357 15.466 1.00 0.00 H new ATOM 0 HE3 LYS A 590 2.488 -7.192 14.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 590 0.917 -6.841 13.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 590 0.870 -8.484 12.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 590 -0.113 -7.904 13.992 1.00 0.00 H new ATOM 678 N ASP A 591 -0.818 -12.020 13.296 1.00 0.00 N ATOM 679 CA ASP A 591 -2.114 -11.768 12.623 1.00 0.00 C ATOM 680 C ASP A 591 -3.004 -13.016 12.682 1.00 0.00 C ATOM 681 O ASP A 591 -4.227 -12.900 12.712 1.00 0.00 O ATOM 682 CB ASP A 591 -1.909 -11.325 11.142 1.00 0.00 C ATOM 683 CG ASP A 591 -1.469 -9.854 10.995 1.00 0.00 C ATOM 684 OD1 ASP A 591 -0.456 -9.459 11.618 1.00 0.00 O ATOM 685 OD2 ASP A 591 -2.143 -9.089 10.269 1.00 0.00 O ATOM 0 H ASP A 591 -0.035 -12.124 12.651 1.00 0.00 H new ATOM 0 HA ASP A 591 -2.609 -10.955 13.154 1.00 0.00 H new ATOM 0 HB2 ASP A 591 -1.160 -11.968 10.679 1.00 0.00 H new ATOM 0 HB3 ASP A 591 -2.840 -11.474 10.594 1.00 0.00 H new ATOM 690 N CYS A 592 -2.370 -14.201 12.674 1.00 0.00 N ATOM 691 CA CYS A 592 -3.077 -15.495 12.781 1.00 0.00 C ATOM 692 C CYS A 592 -3.687 -15.674 14.189 1.00 0.00 C ATOM 693 O CYS A 592 -4.800 -16.192 14.327 1.00 0.00 O ATOM 694 CB CYS A 592 -2.105 -16.653 12.457 1.00 0.00 C ATOM 695 SG CYS A 592 -1.434 -16.595 10.781 1.00 0.00 S ATOM 0 H CYS A 592 -1.357 -14.292 12.594 1.00 0.00 H new ATOM 0 HA CYS A 592 -3.894 -15.507 12.059 1.00 0.00 H new ATOM 0 HB2 CYS A 592 -1.280 -16.633 13.169 1.00 0.00 H new ATOM 0 HB3 CYS A 592 -2.624 -17.601 12.598 1.00 0.00 H new ATOM 0 HG CYS A 592 -0.589 -15.612 10.686 1.00 0.00 H new ATOM 701 N MET A 593 -2.936 -15.226 15.220 1.00 0.00 N ATOM 702 CA MET A 593 -3.370 -15.272 16.640 1.00 0.00 C ATOM 703 C MET A 593 -4.480 -14.242 16.890 1.00 0.00 C ATOM 704 O MET A 593 -5.446 -14.523 17.599 1.00 0.00 O ATOM 705 CB MET A 593 -2.174 -14.988 17.590 1.00 0.00 C ATOM 706 CG MET A 593 -1.061 -16.035 17.572 1.00 0.00 C ATOM 707 SD MET A 593 0.361 -15.526 18.569 1.00 0.00 S ATOM 708 CE MET A 593 1.632 -16.635 17.966 1.00 0.00 C ATOM 0 H MET A 593 -2.009 -14.821 15.093 1.00 0.00 H new ATOM 0 HA MET A 593 -3.753 -16.272 16.845 1.00 0.00 H new ATOM 0 HB2 MET A 593 -1.745 -14.021 17.327 1.00 0.00 H new ATOM 0 HB3 MET A 593 -2.553 -14.902 18.608 1.00 0.00 H new ATOM 0 HG2 MET A 593 -1.448 -16.982 17.948 1.00 0.00 H new ATOM 0 HG3 MET A 593 -0.741 -16.207 16.544 1.00 0.00 H new ATOM 0 HE1 MET A 593 2.127 -17.115 18.810 1.00 0.00 H new ATOM 0 HE2 MET A 593 1.179 -17.396 17.331 1.00 0.00 H new ATOM 0 HE3 MET A 593 2.364 -16.070 17.389 1.00 0.00 H new ATOM 718 N LYS A 594 -4.302 -13.047 16.294 1.00 0.00 N ATOM 719 CA LYS A 594 -5.289 -11.951 16.347 1.00 0.00 C ATOM 720 C LYS A 594 -6.618 -12.401 15.720 1.00 0.00 C ATOM 721 O LYS A 594 -7.673 -12.259 16.334 1.00 0.00 O ATOM 722 CB LYS A 594 -4.752 -10.682 15.612 1.00 0.00 C ATOM 723 CG LYS A 594 -5.753 -9.500 15.530 1.00 0.00 C ATOM 724 CD LYS A 594 -6.177 -8.956 16.920 1.00 0.00 C ATOM 725 CE LYS A 594 -7.296 -7.896 16.835 1.00 0.00 C ATOM 726 NZ LYS A 594 -6.930 -6.736 15.974 1.00 0.00 N ATOM 0 H LYS A 594 -3.465 -12.814 15.760 1.00 0.00 H new ATOM 0 HA LYS A 594 -5.458 -11.696 17.393 1.00 0.00 H new ATOM 0 HB2 LYS A 594 -3.850 -10.340 16.120 1.00 0.00 H new ATOM 0 HB3 LYS A 594 -4.461 -10.963 14.600 1.00 0.00 H new ATOM 0 HG2 LYS A 594 -5.303 -8.692 14.953 1.00 0.00 H new ATOM 0 HG3 LYS A 594 -6.642 -9.823 14.988 1.00 0.00 H new ATOM 0 HD2 LYS A 594 -6.516 -9.785 17.541 1.00 0.00 H new ATOM 0 HD3 LYS A 594 -5.308 -8.521 17.415 1.00 0.00 H new ATOM 0 HE2 LYS A 594 -8.201 -8.361 16.444 1.00 0.00 H new ATOM 0 HE3 LYS A 594 -7.528 -7.539 17.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 594 -7.711 -6.049 15.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 594 -6.073 -6.282 16.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 594 -6.751 -7.066 15.004 1.00 0.00 H new ATOM 740 N ARG A 595 -6.529 -12.970 14.505 1.00 0.00 N ATOM 741 CA ARG A 595 -7.707 -13.415 13.740 1.00 0.00 C ATOM 742 C ARG A 595 -8.474 -14.493 14.528 1.00 0.00 C ATOM 743 O ARG A 595 -9.669 -14.354 14.759 1.00 0.00 O ATOM 744 CB ARG A 595 -7.298 -13.952 12.338 1.00 0.00 C ATOM 745 CG ARG A 595 -8.492 -14.377 11.448 1.00 0.00 C ATOM 746 CD ARG A 595 -9.456 -13.212 11.158 1.00 0.00 C ATOM 747 NE ARG A 595 -10.704 -13.676 10.525 1.00 0.00 N ATOM 748 CZ ARG A 595 -11.648 -12.886 9.986 1.00 0.00 C ATOM 749 NH1 ARG A 595 -11.490 -11.569 9.916 1.00 0.00 N ATOM 750 NH2 ARG A 595 -12.739 -13.436 9.474 1.00 0.00 N ATOM 0 H ARG A 595 -5.643 -13.134 14.028 1.00 0.00 H new ATOM 0 HA ARG A 595 -8.360 -12.555 13.590 1.00 0.00 H new ATOM 0 HB2 ARG A 595 -6.728 -13.182 11.818 1.00 0.00 H new ATOM 0 HB3 ARG A 595 -6.634 -14.807 12.468 1.00 0.00 H new ATOM 0 HG2 ARG A 595 -8.115 -14.775 10.506 1.00 0.00 H new ATOM 0 HG3 ARG A 595 -9.038 -15.183 11.939 1.00 0.00 H new ATOM 0 HD2 ARG A 595 -9.691 -12.695 12.088 1.00 0.00 H new ATOM 0 HD3 ARG A 595 -8.966 -12.489 10.507 1.00 0.00 H new ATOM 0 HE ARG A 595 -10.865 -14.683 10.493 1.00 0.00 H new ATOM 0 HH11 ARG A 595 -10.639 -11.138 10.276 1.00 0.00 H new ATOM 0 HH12 ARG A 595 -12.220 -10.989 9.503 1.00 0.00 H new ATOM 0 HH21 ARG A 595 -12.856 -14.449 9.492 1.00 0.00 H new ATOM 0 HH22 ARG A 595 -13.462 -12.846 9.062 1.00 0.00 H new ATOM 764 N TYR A 596 -7.733 -15.531 14.967 1.00 0.00 N ATOM 765 CA TYR A 596 -8.261 -16.638 15.795 1.00 0.00 C ATOM 766 C TYR A 596 -8.948 -16.118 17.063 1.00 0.00 C ATOM 767 O TYR A 596 -10.026 -16.595 17.419 1.00 0.00 O ATOM 768 CB TYR A 596 -7.114 -17.611 16.168 1.00 0.00 C ATOM 769 CG TYR A 596 -7.440 -18.666 17.245 1.00 0.00 C ATOM 770 CD1 TYR A 596 -8.304 -19.729 16.987 1.00 0.00 C ATOM 771 CD2 TYR A 596 -6.857 -18.610 18.517 1.00 0.00 C ATOM 772 CE1 TYR A 596 -8.577 -20.687 17.943 1.00 0.00 C ATOM 773 CE2 TYR A 596 -7.123 -19.570 19.472 1.00 0.00 C ATOM 774 CZ TYR A 596 -7.985 -20.607 19.181 1.00 0.00 C ATOM 775 OH TYR A 596 -8.237 -21.583 20.126 1.00 0.00 O ATOM 0 H TYR A 596 -6.740 -15.626 14.755 1.00 0.00 H new ATOM 0 HA TYR A 596 -9.011 -17.169 15.208 1.00 0.00 H new ATOM 0 HB2 TYR A 596 -6.798 -18.131 15.264 1.00 0.00 H new ATOM 0 HB3 TYR A 596 -6.263 -17.022 16.511 1.00 0.00 H new ATOM 0 HD1 TYR A 596 -8.771 -19.805 16.016 1.00 0.00 H new ATOM 0 HD2 TYR A 596 -6.185 -17.799 18.756 1.00 0.00 H new ATOM 0 HE1 TYR A 596 -9.254 -21.498 17.719 1.00 0.00 H new ATOM 0 HE2 TYR A 596 -6.658 -19.510 20.445 1.00 0.00 H new ATOM 0 HH TYR A 596 -7.741 -21.380 20.946 1.00 0.00 H new ATOM 785 N LYS A 597 -8.314 -15.132 17.720 1.00 0.00 N ATOM 786 CA LYS A 597 -8.854 -14.498 18.941 1.00 0.00 C ATOM 787 C LYS A 597 -10.248 -13.927 18.658 1.00 0.00 C ATOM 788 O LYS A 597 -11.201 -14.229 19.368 1.00 0.00 O ATOM 789 CB LYS A 597 -7.906 -13.373 19.442 1.00 0.00 C ATOM 790 CG LYS A 597 -8.403 -12.601 20.690 1.00 0.00 C ATOM 791 CD LYS A 597 -7.470 -11.431 21.077 1.00 0.00 C ATOM 792 CE LYS A 597 -8.016 -10.602 22.258 1.00 0.00 C ATOM 793 NZ LYS A 597 -8.205 -11.409 23.496 1.00 0.00 N ATOM 0 H LYS A 597 -7.416 -14.751 17.423 1.00 0.00 H new ATOM 0 HA LYS A 597 -8.929 -15.255 19.722 1.00 0.00 H new ATOM 0 HB2 LYS A 597 -6.935 -13.812 19.669 1.00 0.00 H new ATOM 0 HB3 LYS A 597 -7.752 -12.661 18.631 1.00 0.00 H new ATOM 0 HG2 LYS A 597 -9.404 -12.214 20.498 1.00 0.00 H new ATOM 0 HG3 LYS A 597 -8.483 -13.290 21.531 1.00 0.00 H new ATOM 0 HD2 LYS A 597 -6.488 -11.825 21.338 1.00 0.00 H new ATOM 0 HD3 LYS A 597 -7.333 -10.780 20.214 1.00 0.00 H new ATOM 0 HE2 LYS A 597 -7.330 -9.781 22.467 1.00 0.00 H new ATOM 0 HE3 LYS A 597 -8.969 -10.156 21.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 597 -8.557 -10.797 24.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 597 -8.894 -12.167 23.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 597 -7.296 -11.828 23.780 1.00 0.00 H new ATOM 807 N GLU A 598 -10.353 -13.160 17.559 1.00 0.00 N ATOM 808 CA GLU A 598 -11.608 -12.514 17.157 1.00 0.00 C ATOM 809 C GLU A 598 -12.669 -13.561 16.776 1.00 0.00 C ATOM 810 O GLU A 598 -13.833 -13.399 17.116 1.00 0.00 O ATOM 811 CB GLU A 598 -11.375 -11.524 15.986 1.00 0.00 C ATOM 812 CG GLU A 598 -10.272 -10.468 16.237 1.00 0.00 C ATOM 813 CD GLU A 598 -10.348 -9.789 17.624 1.00 0.00 C ATOM 814 OE1 GLU A 598 -11.208 -8.906 17.819 1.00 0.00 O ATOM 815 OE2 GLU A 598 -9.536 -10.122 18.514 1.00 0.00 O ATOM 0 H GLU A 598 -9.573 -12.973 16.929 1.00 0.00 H new ATOM 0 HA GLU A 598 -11.978 -11.948 18.012 1.00 0.00 H new ATOM 0 HB2 GLU A 598 -11.116 -12.094 15.094 1.00 0.00 H new ATOM 0 HB3 GLU A 598 -12.311 -11.007 15.774 1.00 0.00 H new ATOM 0 HG2 GLU A 598 -9.298 -10.945 16.131 1.00 0.00 H new ATOM 0 HG3 GLU A 598 -10.337 -9.701 15.465 1.00 0.00 H new ATOM 822 N LEU A 599 -12.239 -14.651 16.097 1.00 0.00 N ATOM 823 CA LEU A 599 -13.145 -15.746 15.679 1.00 0.00 C ATOM 824 C LEU A 599 -13.815 -16.383 16.909 1.00 0.00 C ATOM 825 O LEU A 599 -15.037 -16.516 16.958 1.00 0.00 O ATOM 826 CB LEU A 599 -12.387 -16.834 14.855 1.00 0.00 C ATOM 827 CG LEU A 599 -11.725 -16.361 13.518 1.00 0.00 C ATOM 828 CD1 LEU A 599 -11.057 -17.528 12.760 1.00 0.00 C ATOM 829 CD2 LEU A 599 -12.728 -15.608 12.622 1.00 0.00 C ATOM 0 H LEU A 599 -11.266 -14.795 15.826 1.00 0.00 H new ATOM 0 HA LEU A 599 -13.913 -15.315 15.037 1.00 0.00 H new ATOM 0 HB2 LEU A 599 -11.610 -17.262 15.488 1.00 0.00 H new ATOM 0 HB3 LEU A 599 -13.087 -17.637 14.624 1.00 0.00 H new ATOM 0 HG LEU A 599 -10.935 -15.659 13.787 1.00 0.00 H new ATOM 0 HD11 LEU A 599 -10.610 -17.155 11.838 1.00 0.00 H new ATOM 0 HD12 LEU A 599 -10.282 -17.972 13.385 1.00 0.00 H new ATOM 0 HD13 LEU A 599 -11.806 -18.283 12.520 1.00 0.00 H new ATOM 0 HD21 LEU A 599 -12.232 -15.295 11.703 1.00 0.00 H new ATOM 0 HD22 LEU A 599 -13.563 -16.265 12.378 1.00 0.00 H new ATOM 0 HD23 LEU A 599 -13.100 -14.730 13.150 1.00 0.00 H new ATOM 841 N VAL A 600 -12.988 -16.707 17.917 1.00 0.00 N ATOM 842 CA VAL A 600 -13.443 -17.354 19.159 1.00 0.00 C ATOM 843 C VAL A 600 -14.342 -16.398 19.972 1.00 0.00 C ATOM 844 O VAL A 600 -15.436 -16.771 20.357 1.00 0.00 O ATOM 845 CB VAL A 600 -12.224 -17.853 20.031 1.00 0.00 C ATOM 846 CG1 VAL A 600 -12.686 -18.529 21.343 1.00 0.00 C ATOM 847 CG2 VAL A 600 -11.324 -18.817 19.225 1.00 0.00 C ATOM 0 H VAL A 600 -11.984 -16.527 17.894 1.00 0.00 H new ATOM 0 HA VAL A 600 -14.030 -18.229 18.882 1.00 0.00 H new ATOM 0 HB VAL A 600 -11.645 -16.969 20.298 1.00 0.00 H new ATOM 0 HG11 VAL A 600 -11.815 -18.856 21.910 1.00 0.00 H new ATOM 0 HG12 VAL A 600 -13.259 -17.817 21.937 1.00 0.00 H new ATOM 0 HG13 VAL A 600 -13.310 -19.391 21.108 1.00 0.00 H new ATOM 0 HG21 VAL A 600 -10.493 -19.145 19.849 1.00 0.00 H new ATOM 0 HG22 VAL A 600 -11.907 -19.683 18.912 1.00 0.00 H new ATOM 0 HG23 VAL A 600 -10.937 -18.303 18.345 1.00 0.00 H new ATOM 857 N GLU A 601 -13.896 -15.151 20.169 1.00 0.00 N ATOM 858 CA GLU A 601 -14.607 -14.183 21.034 1.00 0.00 C ATOM 859 C GLU A 601 -15.938 -13.703 20.410 1.00 0.00 C ATOM 860 O GLU A 601 -16.878 -13.380 21.146 1.00 0.00 O ATOM 861 CB GLU A 601 -13.699 -12.981 21.387 1.00 0.00 C ATOM 862 CG GLU A 601 -12.387 -13.350 22.123 1.00 0.00 C ATOM 863 CD GLU A 601 -12.593 -14.182 23.405 1.00 0.00 C ATOM 864 OE1 GLU A 601 -13.196 -13.662 24.367 1.00 0.00 O ATOM 865 OE2 GLU A 601 -12.153 -15.354 23.460 1.00 0.00 O ATOM 0 H GLU A 601 -13.046 -14.782 19.743 1.00 0.00 H new ATOM 0 HA GLU A 601 -14.857 -14.709 21.956 1.00 0.00 H new ATOM 0 HB2 GLU A 601 -13.447 -12.452 20.468 1.00 0.00 H new ATOM 0 HB3 GLU A 601 -14.265 -12.287 22.009 1.00 0.00 H new ATOM 0 HG2 GLU A 601 -11.746 -13.908 21.441 1.00 0.00 H new ATOM 0 HG3 GLU A 601 -11.858 -12.433 22.380 1.00 0.00 H new ATOM 872 N MET A 602 -16.021 -13.666 19.061 1.00 0.00 N ATOM 873 CA MET A 602 -17.280 -13.330 18.355 1.00 0.00 C ATOM 874 C MET A 602 -18.306 -14.453 18.543 1.00 0.00 C ATOM 875 O MET A 602 -19.461 -14.187 18.879 1.00 0.00 O ATOM 876 CB MET A 602 -17.058 -13.072 16.834 1.00 0.00 C ATOM 877 CG MET A 602 -16.442 -11.707 16.480 1.00 0.00 C ATOM 878 SD MET A 602 -16.327 -11.437 14.690 1.00 0.00 S ATOM 879 CE MET A 602 -15.254 -12.782 14.165 1.00 0.00 C ATOM 0 H MET A 602 -15.235 -13.864 18.441 1.00 0.00 H new ATOM 0 HA MET A 602 -17.656 -12.406 18.794 1.00 0.00 H new ATOM 0 HB2 MET A 602 -16.412 -13.856 16.440 1.00 0.00 H new ATOM 0 HB3 MET A 602 -18.017 -13.162 16.324 1.00 0.00 H new ATOM 0 HG2 MET A 602 -17.044 -10.915 16.925 1.00 0.00 H new ATOM 0 HG3 MET A 602 -15.447 -11.637 16.919 1.00 0.00 H new ATOM 0 HE1 MET A 602 -15.062 -12.698 13.095 1.00 0.00 H new ATOM 0 HE2 MET A 602 -14.311 -12.728 14.709 1.00 0.00 H new ATOM 0 HE3 MET A 602 -15.739 -13.736 14.372 1.00 0.00 H new ATOM 889 N VAL A 603 -17.870 -15.713 18.340 1.00 0.00 N ATOM 890 CA VAL A 603 -18.770 -16.877 18.422 1.00 0.00 C ATOM 891 C VAL A 603 -19.175 -17.165 19.887 1.00 0.00 C ATOM 892 O VAL A 603 -20.245 -17.718 20.133 1.00 0.00 O ATOM 893 CB VAL A 603 -18.159 -18.159 17.733 1.00 0.00 C ATOM 894 CG1 VAL A 603 -17.769 -17.871 16.261 1.00 0.00 C ATOM 895 CG2 VAL A 603 -16.968 -18.765 18.522 1.00 0.00 C ATOM 0 H VAL A 603 -16.902 -15.948 18.119 1.00 0.00 H new ATOM 0 HA VAL A 603 -19.671 -16.622 17.865 1.00 0.00 H new ATOM 0 HB VAL A 603 -18.945 -18.914 17.739 1.00 0.00 H new ATOM 0 HG11 VAL A 603 -17.351 -18.772 15.812 1.00 0.00 H new ATOM 0 HG12 VAL A 603 -18.654 -17.565 15.703 1.00 0.00 H new ATOM 0 HG13 VAL A 603 -17.027 -17.073 16.231 1.00 0.00 H new ATOM 0 HG21 VAL A 603 -16.593 -19.643 17.997 1.00 0.00 H new ATOM 0 HG22 VAL A 603 -16.172 -18.025 18.605 1.00 0.00 H new ATOM 0 HG23 VAL A 603 -17.301 -19.053 19.519 1.00 0.00 H new ATOM 905 N LYS A 604 -18.311 -16.762 20.845 1.00 0.00 N ATOM 906 CA LYS A 604 -18.602 -16.848 22.293 1.00 0.00 C ATOM 907 C LYS A 604 -19.709 -15.856 22.672 1.00 0.00 C ATOM 908 O LYS A 604 -20.709 -16.239 23.276 1.00 0.00 O ATOM 909 CB LYS A 604 -17.320 -16.565 23.131 1.00 0.00 C ATOM 910 CG LYS A 604 -16.298 -17.716 23.167 1.00 0.00 C ATOM 911 CD LYS A 604 -14.964 -17.308 23.823 1.00 0.00 C ATOM 912 CE LYS A 604 -15.096 -16.837 25.277 1.00 0.00 C ATOM 913 NZ LYS A 604 -13.795 -16.373 25.822 1.00 0.00 N ATOM 0 H LYS A 604 -17.393 -16.368 20.636 1.00 0.00 H new ATOM 0 HA LYS A 604 -18.942 -17.860 22.514 1.00 0.00 H new ATOM 0 HB2 LYS A 604 -16.831 -15.677 22.730 1.00 0.00 H new ATOM 0 HB3 LYS A 604 -17.617 -16.331 24.153 1.00 0.00 H new ATOM 0 HG2 LYS A 604 -16.724 -18.558 23.713 1.00 0.00 H new ATOM 0 HG3 LYS A 604 -16.108 -18.059 22.150 1.00 0.00 H new ATOM 0 HD2 LYS A 604 -14.281 -18.156 23.788 1.00 0.00 H new ATOM 0 HD3 LYS A 604 -14.512 -16.510 23.234 1.00 0.00 H new ATOM 0 HE2 LYS A 604 -15.824 -16.028 25.333 1.00 0.00 H new ATOM 0 HE3 LYS A 604 -15.478 -17.653 25.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 604 -13.950 -15.545 26.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 604 -13.359 -17.137 26.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 604 -13.164 -16.112 25.038 1.00 0.00 H new ATOM 927 N ALA A 605 -19.516 -14.579 22.287 1.00 0.00 N ATOM 928 CA ALA A 605 -20.479 -13.492 22.582 1.00 0.00 C ATOM 929 C ALA A 605 -21.831 -13.740 21.891 1.00 0.00 C ATOM 930 O ALA A 605 -22.886 -13.405 22.431 1.00 0.00 O ATOM 931 CB ALA A 605 -19.901 -12.134 22.155 1.00 0.00 C ATOM 0 H ALA A 605 -18.695 -14.270 21.766 1.00 0.00 H new ATOM 0 HA ALA A 605 -20.650 -13.479 23.658 1.00 0.00 H new ATOM 0 HB1 ALA A 605 -20.620 -11.346 22.378 1.00 0.00 H new ATOM 0 HB2 ALA A 605 -18.975 -11.945 22.699 1.00 0.00 H new ATOM 0 HB3 ALA A 605 -19.697 -12.146 21.084 1.00 0.00 H new ATOM 937 N LYS A 606 -21.763 -14.352 20.702 1.00 0.00 N ATOM 938 CA LYS A 606 -22.935 -14.685 19.878 1.00 0.00 C ATOM 939 C LYS A 606 -23.771 -15.787 20.559 1.00 0.00 C ATOM 940 O LYS A 606 -24.963 -15.605 20.812 1.00 0.00 O ATOM 941 CB LYS A 606 -22.451 -15.139 18.476 1.00 0.00 C ATOM 942 CG LYS A 606 -23.559 -15.371 17.426 1.00 0.00 C ATOM 943 CD LYS A 606 -22.995 -15.822 16.056 1.00 0.00 C ATOM 944 CE LYS A 606 -22.026 -14.791 15.441 1.00 0.00 C ATOM 945 NZ LYS A 606 -22.686 -13.482 15.200 1.00 0.00 N ATOM 0 H LYS A 606 -20.879 -14.635 20.278 1.00 0.00 H new ATOM 0 HA LYS A 606 -23.572 -13.807 19.768 1.00 0.00 H new ATOM 0 HB2 LYS A 606 -21.762 -14.388 18.090 1.00 0.00 H new ATOM 0 HB3 LYS A 606 -21.885 -16.063 18.589 1.00 0.00 H new ATOM 0 HG2 LYS A 606 -24.253 -16.126 17.796 1.00 0.00 H new ATOM 0 HG3 LYS A 606 -24.129 -14.451 17.295 1.00 0.00 H new ATOM 0 HD2 LYS A 606 -22.477 -16.774 16.177 1.00 0.00 H new ATOM 0 HD3 LYS A 606 -23.822 -15.994 15.366 1.00 0.00 H new ATOM 0 HE2 LYS A 606 -21.175 -14.651 16.107 1.00 0.00 H new ATOM 0 HE3 LYS A 606 -21.634 -15.178 14.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 606 -22.020 -12.840 14.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 606 -23.523 -13.621 14.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 606 -22.978 -13.068 16.108 1.00 0.00 H new ATOM 959 N LYS A 607 -23.109 -16.923 20.875 1.00 0.00 N ATOM 960 CA LYS A 607 -23.753 -18.063 21.558 1.00 0.00 C ATOM 961 C LYS A 607 -24.276 -17.666 22.946 1.00 0.00 C ATOM 962 O LYS A 607 -25.319 -18.146 23.355 1.00 0.00 O ATOM 963 CB LYS A 607 -22.783 -19.269 21.680 1.00 0.00 C ATOM 964 CG LYS A 607 -22.532 -20.021 20.357 1.00 0.00 C ATOM 965 CD LYS A 607 -23.802 -20.715 19.805 1.00 0.00 C ATOM 966 CE LYS A 607 -23.540 -21.487 18.502 1.00 0.00 C ATOM 967 NZ LYS A 607 -23.050 -20.599 17.416 1.00 0.00 N ATOM 0 H LYS A 607 -22.122 -17.073 20.665 1.00 0.00 H new ATOM 0 HA LYS A 607 -24.603 -18.362 20.944 1.00 0.00 H new ATOM 0 HB2 LYS A 607 -21.829 -18.914 22.069 1.00 0.00 H new ATOM 0 HB3 LYS A 607 -23.184 -19.970 22.412 1.00 0.00 H new ATOM 0 HG2 LYS A 607 -22.155 -19.320 19.613 1.00 0.00 H new ATOM 0 HG3 LYS A 607 -21.754 -20.769 20.512 1.00 0.00 H new ATOM 0 HD2 LYS A 607 -24.191 -21.402 20.557 1.00 0.00 H new ATOM 0 HD3 LYS A 607 -24.573 -19.965 19.629 1.00 0.00 H new ATOM 0 HE2 LYS A 607 -22.806 -22.272 18.687 1.00 0.00 H new ATOM 0 HE3 LYS A 607 -24.458 -21.979 18.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 607 -23.015 -21.130 16.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 607 -23.694 -19.789 17.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 607 -22.097 -20.256 17.652 1.00 0.00 H new ATOM 981 N ALA A 608 -23.544 -16.781 23.643 1.00 0.00 N ATOM 982 CA ALA A 608 -23.929 -16.291 24.982 1.00 0.00 C ATOM 983 C ALA A 608 -25.186 -15.408 24.896 1.00 0.00 C ATOM 984 O ALA A 608 -26.084 -15.519 25.726 1.00 0.00 O ATOM 985 CB ALA A 608 -22.761 -15.524 25.637 1.00 0.00 C ATOM 0 H ALA A 608 -22.670 -16.384 23.297 1.00 0.00 H new ATOM 0 HA ALA A 608 -24.163 -17.152 25.609 1.00 0.00 H new ATOM 0 HB1 ALA A 608 -23.065 -15.171 26.623 1.00 0.00 H new ATOM 0 HB2 ALA A 608 -21.902 -16.187 25.738 1.00 0.00 H new ATOM 0 HB3 ALA A 608 -22.491 -14.671 25.014 1.00 0.00 H new ATOM 991 N ALA A 609 -25.242 -14.562 23.851 1.00 0.00 N ATOM 992 CA ALA A 609 -26.353 -13.612 23.640 1.00 0.00 C ATOM 993 C ALA A 609 -27.661 -14.358 23.347 1.00 0.00 C ATOM 994 O ALA A 609 -28.686 -14.134 24.007 1.00 0.00 O ATOM 995 CB ALA A 609 -26.014 -12.643 22.498 1.00 0.00 C ATOM 0 H ALA A 609 -24.521 -14.517 23.130 1.00 0.00 H new ATOM 0 HA ALA A 609 -26.492 -13.036 24.555 1.00 0.00 H new ATOM 0 HB1 ALA A 609 -26.841 -11.948 22.353 1.00 0.00 H new ATOM 0 HB2 ALA A 609 -25.112 -12.086 22.750 1.00 0.00 H new ATOM 0 HB3 ALA A 609 -25.848 -13.207 21.580 1.00 0.00 H new ATOM 1001 N GLN A 610 -27.596 -15.268 22.362 1.00 0.00 N ATOM 1002 CA GLN A 610 -28.740 -16.114 21.959 1.00 0.00 C ATOM 1003 C GLN A 610 -29.106 -17.117 23.068 1.00 0.00 C ATOM 1004 O GLN A 610 -30.274 -17.501 23.190 1.00 0.00 O ATOM 1005 CB GLN A 610 -28.445 -16.844 20.612 1.00 0.00 C ATOM 1006 CG GLN A 610 -28.638 -15.983 19.340 1.00 0.00 C ATOM 1007 CD GLN A 610 -27.672 -14.801 19.202 1.00 0.00 C ATOM 1008 OE1 GLN A 610 -26.612 -14.918 18.590 1.00 0.00 O ATOM 1009 NE2 GLN A 610 -28.020 -13.662 19.792 1.00 0.00 N ATOM 0 H GLN A 610 -26.750 -15.441 21.820 1.00 0.00 H new ATOM 0 HA GLN A 610 -29.601 -15.464 21.805 1.00 0.00 H new ATOM 0 HB2 GLN A 610 -27.418 -17.209 20.632 1.00 0.00 H new ATOM 0 HB3 GLN A 610 -29.092 -17.718 20.541 1.00 0.00 H new ATOM 0 HG2 GLN A 610 -28.529 -16.625 18.466 1.00 0.00 H new ATOM 0 HG3 GLN A 610 -29.659 -15.601 19.330 1.00 0.00 H new ATOM 0 HE21 GLN A 610 -28.907 -13.597 20.292 1.00 0.00 H new ATOM 0 HE22 GLN A 610 -27.401 -12.853 19.744 1.00 0.00 H new ATOM 1018 N GLU A 611 -28.110 -17.518 23.890 1.00 0.00 N ATOM 1019 CA GLU A 611 -28.347 -18.417 25.037 1.00 0.00 C ATOM 1020 C GLU A 611 -29.198 -17.701 26.080 1.00 0.00 C ATOM 1021 O GLU A 611 -30.111 -18.287 26.618 1.00 0.00 O ATOM 1022 CB GLU A 611 -27.030 -18.904 25.693 1.00 0.00 C ATOM 1023 CG GLU A 611 -27.199 -19.992 26.777 1.00 0.00 C ATOM 1024 CD GLU A 611 -27.732 -21.324 26.213 1.00 0.00 C ATOM 1025 OE1 GLU A 611 -26.923 -22.129 25.703 1.00 0.00 O ATOM 1026 OE2 GLU A 611 -28.962 -21.566 26.263 1.00 0.00 O ATOM 0 H GLU A 611 -27.137 -17.233 23.779 1.00 0.00 H new ATOM 0 HA GLU A 611 -28.867 -19.296 24.657 1.00 0.00 H new ATOM 0 HB2 GLU A 611 -26.375 -19.290 24.912 1.00 0.00 H new ATOM 0 HB3 GLU A 611 -26.525 -18.046 26.137 1.00 0.00 H new ATOM 0 HG2 GLU A 611 -26.238 -20.167 27.262 1.00 0.00 H new ATOM 0 HG3 GLU A 611 -27.882 -19.629 27.545 1.00 0.00 H new ATOM 1033 N GLN A 612 -28.899 -16.407 26.326 1.00 0.00 N ATOM 1034 CA GLN A 612 -29.617 -15.609 27.340 1.00 0.00 C ATOM 1035 C GLN A 612 -31.070 -15.334 26.925 1.00 0.00 C ATOM 1036 O GLN A 612 -31.917 -15.124 27.790 1.00 0.00 O ATOM 1037 CB GLN A 612 -28.879 -14.280 27.673 1.00 0.00 C ATOM 1038 CG GLN A 612 -27.501 -14.460 28.354 1.00 0.00 C ATOM 1039 CD GLN A 612 -27.505 -15.366 29.606 1.00 0.00 C ATOM 1040 OE1 GLN A 612 -26.517 -16.044 29.891 1.00 0.00 O ATOM 1041 NE2 GLN A 612 -28.585 -15.364 30.378 1.00 0.00 N ATOM 0 H GLN A 612 -28.166 -15.894 25.836 1.00 0.00 H new ATOM 0 HA GLN A 612 -29.635 -16.211 28.248 1.00 0.00 H new ATOM 0 HB2 GLN A 612 -28.743 -13.715 26.751 1.00 0.00 H new ATOM 0 HB3 GLN A 612 -29.515 -13.680 28.324 1.00 0.00 H new ATOM 0 HG2 GLN A 612 -26.804 -14.875 27.626 1.00 0.00 H new ATOM 0 HG3 GLN A 612 -27.121 -13.478 28.636 1.00 0.00 H new ATOM 0 HE21 GLN A 612 -29.393 -14.795 30.124 1.00 0.00 H new ATOM 0 HE22 GLN A 612 -28.607 -15.931 31.225 1.00 0.00 H new ATOM 1050 N VAL A 613 -31.355 -15.339 25.609 1.00 0.00 N ATOM 1051 CA VAL A 613 -32.736 -15.208 25.110 1.00 0.00 C ATOM 1052 C VAL A 613 -33.499 -16.523 25.368 1.00 0.00 C ATOM 1053 O VAL A 613 -34.530 -16.526 26.052 1.00 0.00 O ATOM 1054 CB VAL A 613 -32.796 -14.844 23.583 1.00 0.00 C ATOM 1055 CG1 VAL A 613 -34.261 -14.642 23.114 1.00 0.00 C ATOM 1056 CG2 VAL A 613 -31.937 -13.595 23.270 1.00 0.00 C ATOM 0 H VAL A 613 -30.651 -15.432 24.876 1.00 0.00 H new ATOM 0 HA VAL A 613 -33.204 -14.385 25.650 1.00 0.00 H new ATOM 0 HB VAL A 613 -32.378 -15.683 23.027 1.00 0.00 H new ATOM 0 HG11 VAL A 613 -34.272 -14.391 22.053 1.00 0.00 H new ATOM 0 HG12 VAL A 613 -34.825 -15.561 23.275 1.00 0.00 H new ATOM 0 HG13 VAL A 613 -34.717 -13.832 23.683 1.00 0.00 H new ATOM 0 HG21 VAL A 613 -31.999 -13.368 22.206 1.00 0.00 H new ATOM 0 HG22 VAL A 613 -32.307 -12.746 23.844 1.00 0.00 H new ATOM 0 HG23 VAL A 613 -30.899 -13.790 23.540 1.00 0.00 H new ATOM 1066 N LEU A 614 -32.938 -17.633 24.849 1.00 0.00 N ATOM 1067 CA LEU A 614 -33.534 -18.984 24.962 1.00 0.00 C ATOM 1068 C LEU A 614 -33.660 -19.431 26.430 1.00 0.00 C ATOM 1069 O LEU A 614 -34.597 -20.138 26.778 1.00 0.00 O ATOM 1070 CB LEU A 614 -32.704 -20.029 24.135 1.00 0.00 C ATOM 1071 CG LEU A 614 -33.071 -20.189 22.624 1.00 0.00 C ATOM 1072 CD1 LEU A 614 -34.524 -20.658 22.459 1.00 0.00 C ATOM 1073 CD2 LEU A 614 -32.803 -18.898 21.825 1.00 0.00 C ATOM 0 H LEU A 614 -32.056 -17.620 24.337 1.00 0.00 H new ATOM 0 HA LEU A 614 -34.540 -18.932 24.547 1.00 0.00 H new ATOM 0 HB2 LEU A 614 -31.651 -19.754 24.201 1.00 0.00 H new ATOM 0 HB3 LEU A 614 -32.810 -21.002 24.615 1.00 0.00 H new ATOM 0 HG LEU A 614 -32.419 -20.958 22.210 1.00 0.00 H new ATOM 0 HD11 LEU A 614 -34.755 -20.762 21.399 1.00 0.00 H new ATOM 0 HD12 LEU A 614 -34.654 -21.620 22.954 1.00 0.00 H new ATOM 0 HD13 LEU A 614 -35.196 -19.926 22.907 1.00 0.00 H new ATOM 0 HD21 LEU A 614 -33.072 -19.054 20.780 1.00 0.00 H new ATOM 0 HD22 LEU A 614 -33.401 -18.085 22.236 1.00 0.00 H new ATOM 0 HD23 LEU A 614 -31.746 -18.641 21.893 1.00 0.00 H new ATOM 1085 N ASN A 615 -32.716 -19.000 27.278 1.00 0.00 N ATOM 1086 CA ASN A 615 -32.688 -19.364 28.703 1.00 0.00 C ATOM 1087 C ASN A 615 -33.740 -18.563 29.473 1.00 0.00 C ATOM 1088 O ASN A 615 -34.544 -19.147 30.188 1.00 0.00 O ATOM 1089 CB ASN A 615 -31.281 -19.141 29.313 1.00 0.00 C ATOM 1090 CG ASN A 615 -31.200 -19.425 30.819 1.00 0.00 C ATOM 1091 OD1 ASN A 615 -31.346 -18.523 31.643 1.00 0.00 O ATOM 1092 ND2 ASN A 615 -30.990 -20.682 31.188 1.00 0.00 N ATOM 0 H ASN A 615 -31.950 -18.389 26.996 1.00 0.00 H new ATOM 0 HA ASN A 615 -32.922 -20.425 28.786 1.00 0.00 H new ATOM 0 HB2 ASN A 615 -30.566 -19.780 28.794 1.00 0.00 H new ATOM 0 HB3 ASN A 615 -30.977 -18.110 29.131 1.00 0.00 H new ATOM 0 HD21 ASN A 615 -30.946 -20.922 32.178 1.00 0.00 H new ATOM 0 HD22 ASN A 615 -30.873 -21.408 30.481 1.00 0.00 H new ATOM 1099 N ALA A 616 -33.726 -17.227 29.297 1.00 0.00 N ATOM 1100 CA ALA A 616 -34.593 -16.307 30.068 1.00 0.00 C ATOM 1101 C ALA A 616 -36.081 -16.582 29.820 1.00 0.00 C ATOM 1102 O ALA A 616 -36.864 -16.719 30.765 1.00 0.00 O ATOM 1103 CB ALA A 616 -34.254 -14.848 29.738 1.00 0.00 C ATOM 0 H ALA A 616 -33.121 -16.757 28.624 1.00 0.00 H new ATOM 0 HA ALA A 616 -34.400 -16.484 31.126 1.00 0.00 H new ATOM 0 HB1 ALA A 616 -34.900 -14.185 30.313 1.00 0.00 H new ATOM 0 HB2 ALA A 616 -33.213 -14.650 29.992 1.00 0.00 H new ATOM 0 HB3 ALA A 616 -34.408 -14.671 28.674 1.00 0.00 H new ATOM 1109 N SER A 617 -36.445 -16.695 28.532 1.00 0.00 N ATOM 1110 CA SER A 617 -37.841 -16.903 28.099 1.00 0.00 C ATOM 1111 C SER A 617 -38.367 -18.298 28.524 1.00 0.00 C ATOM 1112 O SER A 617 -39.560 -18.465 28.797 1.00 0.00 O ATOM 1113 CB SER A 617 -37.932 -16.710 26.567 1.00 0.00 C ATOM 1114 OG SER A 617 -37.090 -17.621 25.876 1.00 0.00 O ATOM 0 H SER A 617 -35.781 -16.645 27.759 1.00 0.00 H new ATOM 0 HA SER A 617 -38.477 -16.166 28.590 1.00 0.00 H new ATOM 0 HB2 SER A 617 -38.963 -16.849 26.243 1.00 0.00 H new ATOM 0 HB3 SER A 617 -37.652 -15.688 26.311 1.00 0.00 H new ATOM 0 HG SER A 617 -36.166 -17.294 25.898 1.00 0.00 H new ATOM 1120 N ARG A 618 -37.452 -19.287 28.582 1.00 0.00 N ATOM 1121 CA ARG A 618 -37.772 -20.674 28.987 1.00 0.00 C ATOM 1122 C ARG A 618 -37.757 -20.825 30.526 1.00 0.00 C ATOM 1123 O ARG A 618 -38.441 -21.697 31.075 1.00 0.00 O ATOM 1124 CB ARG A 618 -36.762 -21.647 28.325 1.00 0.00 C ATOM 1125 CG ARG A 618 -37.000 -23.155 28.578 1.00 0.00 C ATOM 1126 CD ARG A 618 -35.961 -24.036 27.858 1.00 0.00 C ATOM 1127 NE ARG A 618 -34.579 -23.733 28.292 1.00 0.00 N ATOM 1128 CZ ARG A 618 -33.517 -23.592 27.486 1.00 0.00 C ATOM 1129 NH1 ARG A 618 -33.641 -23.687 26.165 1.00 0.00 N ATOM 1130 NH2 ARG A 618 -32.331 -23.341 28.015 1.00 0.00 N ATOM 0 H ARG A 618 -36.469 -19.148 28.349 1.00 0.00 H new ATOM 0 HA ARG A 618 -38.779 -20.918 28.649 1.00 0.00 H new ATOM 0 HB2 ARG A 618 -36.775 -21.474 27.249 1.00 0.00 H new ATOM 0 HB3 ARG A 618 -35.762 -21.394 28.677 1.00 0.00 H new ATOM 0 HG2 ARG A 618 -36.962 -23.353 29.649 1.00 0.00 H new ATOM 0 HG3 ARG A 618 -38.000 -23.425 28.240 1.00 0.00 H new ATOM 0 HD2 ARG A 618 -36.180 -25.086 28.052 1.00 0.00 H new ATOM 0 HD3 ARG A 618 -36.043 -23.887 26.781 1.00 0.00 H new ATOM 0 HE ARG A 618 -34.420 -23.622 29.293 1.00 0.00 H new ATOM 0 HH11 ARG A 618 -34.555 -23.870 25.750 1.00 0.00 H new ATOM 0 HH12 ARG A 618 -32.822 -23.577 25.567 1.00 0.00 H new ATOM 0 HH21 ARG A 618 -32.231 -23.257 29.027 1.00 0.00 H new ATOM 0 HH22 ARG A 618 -31.516 -23.232 27.411 1.00 0.00 H new ATOM 1144 N ALA A 619 -36.981 -19.957 31.217 1.00 0.00 N ATOM 1145 CA ALA A 619 -36.826 -19.995 32.687 1.00 0.00 C ATOM 1146 C ALA A 619 -38.064 -19.379 33.352 1.00 0.00 C ATOM 1147 O ALA A 619 -38.101 -18.181 33.660 1.00 0.00 O ATOM 1148 CB ALA A 619 -35.529 -19.281 33.130 1.00 0.00 C ATOM 0 H ALA A 619 -36.446 -19.212 30.770 1.00 0.00 H new ATOM 0 HA ALA A 619 -36.741 -21.033 33.007 1.00 0.00 H new ATOM 0 HB1 ALA A 619 -35.442 -19.325 34.216 1.00 0.00 H new ATOM 0 HB2 ALA A 619 -34.669 -19.774 32.677 1.00 0.00 H new ATOM 0 HB3 ALA A 619 -35.560 -18.239 32.810 1.00 0.00 H new ATOM 1154 N LYS A 620 -39.091 -20.223 33.522 1.00 0.00 N ATOM 1155 CA LYS A 620 -40.389 -19.816 34.070 1.00 0.00 C ATOM 1156 C LYS A 620 -40.315 -19.801 35.610 1.00 0.00 C ATOM 1157 O LYS A 620 -40.110 -18.742 36.212 1.00 0.00 O ATOM 1158 CB LYS A 620 -41.489 -20.776 33.531 1.00 0.00 C ATOM 1159 CG LYS A 620 -41.575 -20.807 31.982 1.00 0.00 C ATOM 1160 CD LYS A 620 -42.490 -21.933 31.445 1.00 0.00 C ATOM 1161 CE LYS A 620 -42.444 -22.046 29.907 1.00 0.00 C ATOM 1162 NZ LYS A 620 -43.242 -23.194 29.409 1.00 0.00 N ATOM 0 H LYS A 620 -39.043 -21.213 33.281 1.00 0.00 H new ATOM 0 HA LYS A 620 -40.647 -18.806 33.752 1.00 0.00 H new ATOM 0 HB2 LYS A 620 -41.292 -21.784 33.897 1.00 0.00 H new ATOM 0 HB3 LYS A 620 -42.455 -20.473 33.935 1.00 0.00 H new ATOM 0 HG2 LYS A 620 -41.945 -19.846 31.626 1.00 0.00 H new ATOM 0 HG3 LYS A 620 -40.573 -20.935 31.571 1.00 0.00 H new ATOM 0 HD2 LYS A 620 -42.188 -22.883 31.885 1.00 0.00 H new ATOM 0 HD3 LYS A 620 -43.516 -21.746 31.762 1.00 0.00 H new ATOM 0 HE2 LYS A 620 -42.821 -21.124 29.464 1.00 0.00 H new ATOM 0 HE3 LYS A 620 -41.409 -22.156 29.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 620 -43.184 -23.233 28.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 620 -42.867 -24.077 29.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 620 -44.235 -23.077 29.696 1.00 0.00 H new ATOM 1176 N LYS A 621 -40.426 -20.994 36.237 1.00 0.00 N ATOM 1177 CA LYS A 621 -40.344 -21.164 37.706 1.00 0.00 C ATOM 1178 C LYS A 621 -39.533 -22.451 38.025 1.00 0.00 C ATOM 1179 CB LYS A 621 -41.774 -21.200 38.354 1.00 0.00 C ATOM 1180 CG LYS A 621 -42.532 -19.846 38.340 1.00 0.00 C ATOM 1181 CD LYS A 621 -41.744 -18.731 39.082 1.00 0.00 C ATOM 1182 CE LYS A 621 -42.426 -17.357 39.017 1.00 0.00 C ATOM 1183 NZ LYS A 621 -41.602 -16.301 39.665 1.00 0.00 N ATOM 0 H LYS A 621 -40.576 -21.870 35.736 1.00 0.00 H new ATOM 0 HA LYS A 621 -39.828 -20.308 38.141 1.00 0.00 H new ATOM 0 HB2 LYS A 621 -42.376 -21.942 37.830 1.00 0.00 H new ATOM 0 HB3 LYS A 621 -41.681 -21.537 39.386 1.00 0.00 H new ATOM 0 HG2 LYS A 621 -42.709 -19.540 37.309 1.00 0.00 H new ATOM 0 HG3 LYS A 621 -43.509 -19.972 38.807 1.00 0.00 H new ATOM 0 HD2 LYS A 621 -41.619 -19.018 40.126 1.00 0.00 H new ATOM 0 HD3 LYS A 621 -40.746 -18.654 38.651 1.00 0.00 H new ATOM 0 HE2 LYS A 621 -42.607 -17.090 37.976 1.00 0.00 H new ATOM 0 HE3 LYS A 621 -43.399 -17.410 39.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 621 -42.095 -15.388 39.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 621 -41.451 -16.544 40.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 621 -40.683 -16.233 39.182 1.00 0.00 H new TER 1197 LYS A 621