USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 486 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+ -111:sc= -0.871 (180deg=-3.91!) USER MOD Set 1.2: A 592 CYS SG : rot 73:sc= -3.09! USER MOD Set 2.1: A 588 THR OG1 : rot -33:sc= -0.0505 USER MOD Set 2.2: A 590 LYS NZ :NH3+ -108:sc= 0.239 (180deg=-0.605) USER MOD Set 3.1: A 564 GLN : amide:sc= 0.153 K(o=0.81,f=0.23) USER MOD Set 3.2: A 568 THR OG1 : rot 75:sc= 0.653 USER MOD Single : A 555 THR OG1 : rot 110:sc= -0.947 USER MOD Single : A 556 THR OG1 : rot 180:sc= 0 USER MOD Single : A 559 GLN : amide:sc= -0.878 K(o=-0.88,f=-4.1!) USER MOD Single : A 560 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0107) USER MOD Single : A 567 LYS NZ :NH3+ -169:sc= -0.005 (180deg=-0.131) USER MOD Single : A 569 TYR OH : rot 30:sc= 0 USER MOD Single : A 572 ASN : amide:sc= -0.0142 K(o=-0.014,f=-2.9!) USER MOD Single : A 573 THR OG1 : rot -170:sc= -0.0653 USER MOD Single : A 578 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 579 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 593 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 594 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0666) USER MOD Single : A 596 TYR OH : rot 30:sc= 0 USER MOD Single : A 597 LYS NZ :NH3+ 169:sc=-0.00471 (180deg=-0.107) USER MOD Single : A 602 MET CE :methyl 140:sc= -0.244 (180deg=-0.579) USER MOD Single : A 604 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 606 LYS NZ :NH3+ 169:sc=-0.00275 (180deg=-0.112) USER MOD Single : A 607 LYS NZ :NH3+ -166:sc= -0.0124 (180deg=-0.251) USER MOD ----------------------------------------------------------------- ATOM 49 N TRP A 554 -6.983 -10.173 5.080 1.00 0.00 N ATOM 50 CA TRP A 554 -7.446 -11.550 4.860 1.00 0.00 C ATOM 51 C TRP A 554 -8.417 -11.623 3.668 1.00 0.00 C ATOM 52 O TRP A 554 -9.538 -11.099 3.736 1.00 0.00 O ATOM 53 CB TRP A 554 -8.127 -12.080 6.153 1.00 0.00 C ATOM 54 CG TRP A 554 -7.185 -12.183 7.330 1.00 0.00 C ATOM 55 CD1 TRP A 554 -7.046 -11.299 8.371 1.00 0.00 C ATOM 56 CD2 TRP A 554 -6.240 -13.231 7.565 1.00 0.00 C ATOM 57 NE1 TRP A 554 -6.078 -11.744 9.233 1.00 0.00 N ATOM 58 CE2 TRP A 554 -5.559 -12.920 8.752 1.00 0.00 C ATOM 59 CE3 TRP A 554 -5.899 -14.397 6.875 1.00 0.00 C ATOM 60 CZ2 TRP A 554 -4.564 -13.740 9.267 1.00 0.00 C ATOM 61 CZ3 TRP A 554 -4.913 -15.211 7.389 1.00 0.00 C ATOM 62 CH2 TRP A 554 -4.246 -14.873 8.572 1.00 0.00 C ATOM 0 HA TRP A 554 -6.586 -12.176 4.624 1.00 0.00 H new ATOM 0 HB2 TRP A 554 -8.954 -11.420 6.416 1.00 0.00 H new ATOM 0 HB3 TRP A 554 -8.555 -13.062 5.953 1.00 0.00 H new ATOM 0 HD1 TRP A 554 -7.615 -10.389 8.493 1.00 0.00 H new ATOM 0 HE1 TRP A 554 -5.790 -11.277 10.093 1.00 0.00 H new ATOM 0 HE3 TRP A 554 -6.400 -14.656 5.954 1.00 0.00 H new ATOM 0 HZ2 TRP A 554 -4.057 -13.490 10.188 1.00 0.00 H new ATOM 0 HZ3 TRP A 554 -4.651 -16.122 6.872 1.00 0.00 H new ATOM 0 HH2 TRP A 554 -3.465 -15.520 8.943 1.00 0.00 H new ATOM 73 N THR A 555 -7.941 -12.204 2.554 1.00 0.00 N ATOM 74 CA THR A 555 -8.775 -12.496 1.378 1.00 0.00 C ATOM 75 C THR A 555 -9.443 -13.875 1.562 1.00 0.00 C ATOM 76 O THR A 555 -9.156 -14.565 2.548 1.00 0.00 O ATOM 77 CB THR A 555 -7.925 -12.455 0.068 1.00 0.00 C ATOM 78 OG1 THR A 555 -6.852 -13.397 0.148 1.00 0.00 O ATOM 79 CG2 THR A 555 -7.352 -11.056 -0.205 1.00 0.00 C ATOM 0 H THR A 555 -6.966 -12.484 2.444 1.00 0.00 H new ATOM 0 HA THR A 555 -9.548 -11.733 1.287 1.00 0.00 H new ATOM 0 HB THR A 555 -8.590 -12.714 -0.756 1.00 0.00 H new ATOM 0 HG1 THR A 555 -7.023 -14.141 -0.466 1.00 0.00 H new ATOM 0 HG21 THR A 555 -6.768 -11.075 -1.125 1.00 0.00 H new ATOM 0 HG22 THR A 555 -8.169 -10.342 -0.308 1.00 0.00 H new ATOM 0 HG23 THR A 555 -6.711 -10.757 0.625 1.00 0.00 H new ATOM 87 N THR A 556 -10.306 -14.278 0.607 1.00 0.00 N ATOM 88 CA THR A 556 -11.156 -15.483 0.740 1.00 0.00 C ATOM 89 C THR A 556 -10.330 -16.762 1.034 1.00 0.00 C ATOM 90 O THR A 556 -10.615 -17.486 2.001 1.00 0.00 O ATOM 91 CB THR A 556 -12.024 -15.699 -0.539 1.00 0.00 C ATOM 92 OG1 THR A 556 -12.743 -14.493 -0.839 1.00 0.00 O ATOM 93 CG2 THR A 556 -13.021 -16.871 -0.377 1.00 0.00 C ATOM 0 H THR A 556 -10.434 -13.781 -0.275 1.00 0.00 H new ATOM 0 HA THR A 556 -11.809 -15.306 1.594 1.00 0.00 H new ATOM 0 HB THR A 556 -11.350 -15.952 -1.357 1.00 0.00 H new ATOM 0 HG1 THR A 556 -13.287 -14.628 -1.643 1.00 0.00 H new ATOM 0 HG21 THR A 556 -13.603 -16.983 -1.292 1.00 0.00 H new ATOM 0 HG22 THR A 556 -12.471 -17.792 -0.181 1.00 0.00 H new ATOM 0 HG23 THR A 556 -13.692 -16.665 0.457 1.00 0.00 H new ATOM 101 N GLU A 557 -9.287 -16.996 0.210 1.00 0.00 N ATOM 102 CA GLU A 557 -8.391 -18.169 0.350 1.00 0.00 C ATOM 103 C GLU A 557 -7.594 -18.084 1.670 1.00 0.00 C ATOM 104 O GLU A 557 -7.592 -19.037 2.437 1.00 0.00 O ATOM 105 CB GLU A 557 -7.426 -18.370 -0.877 1.00 0.00 C ATOM 106 CG GLU A 557 -6.680 -17.109 -1.381 1.00 0.00 C ATOM 107 CD GLU A 557 -7.538 -16.236 -2.319 1.00 0.00 C ATOM 108 OE1 GLU A 557 -7.724 -16.621 -3.491 1.00 0.00 O ATOM 109 OE2 GLU A 557 -8.070 -15.195 -1.878 1.00 0.00 O ATOM 0 H GLU A 557 -9.041 -16.383 -0.567 1.00 0.00 H new ATOM 0 HA GLU A 557 -9.034 -19.049 0.374 1.00 0.00 H new ATOM 0 HB2 GLU A 557 -6.684 -19.121 -0.608 1.00 0.00 H new ATOM 0 HB3 GLU A 557 -8.006 -18.777 -1.705 1.00 0.00 H new ATOM 0 HG2 GLU A 557 -6.366 -16.512 -0.524 1.00 0.00 H new ATOM 0 HG3 GLU A 557 -5.775 -17.415 -1.905 1.00 0.00 H new ATOM 116 N GLU A 558 -6.994 -16.906 1.953 1.00 0.00 N ATOM 117 CA GLU A 558 -6.138 -16.704 3.154 1.00 0.00 C ATOM 118 C GLU A 558 -6.907 -16.977 4.455 1.00 0.00 C ATOM 119 O GLU A 558 -6.377 -17.576 5.399 1.00 0.00 O ATOM 120 CB GLU A 558 -5.584 -15.256 3.181 1.00 0.00 C ATOM 121 CG GLU A 558 -4.818 -14.870 1.914 1.00 0.00 C ATOM 122 CD GLU A 558 -3.674 -15.832 1.582 1.00 0.00 C ATOM 123 OE1 GLU A 558 -2.636 -15.787 2.277 1.00 0.00 O ATOM 124 OE2 GLU A 558 -3.797 -16.619 0.612 1.00 0.00 O ATOM 0 H GLU A 558 -7.084 -16.076 1.367 1.00 0.00 H new ATOM 0 HA GLU A 558 -5.315 -17.415 3.088 1.00 0.00 H new ATOM 0 HB2 GLU A 558 -6.412 -14.561 3.321 1.00 0.00 H new ATOM 0 HB3 GLU A 558 -4.925 -15.144 4.042 1.00 0.00 H new ATOM 0 HG2 GLU A 558 -5.512 -14.838 1.074 1.00 0.00 H new ATOM 0 HG3 GLU A 558 -4.415 -13.864 2.034 1.00 0.00 H new ATOM 131 N GLN A 559 -8.168 -16.538 4.455 1.00 0.00 N ATOM 132 CA GLN A 559 -9.059 -16.604 5.614 1.00 0.00 C ATOM 133 C GLN A 559 -9.487 -18.052 5.895 1.00 0.00 C ATOM 134 O GLN A 559 -9.475 -18.497 7.051 1.00 0.00 O ATOM 135 CB GLN A 559 -10.295 -15.699 5.367 1.00 0.00 C ATOM 136 CG GLN A 559 -11.263 -15.569 6.553 1.00 0.00 C ATOM 137 CD GLN A 559 -10.571 -15.120 7.837 1.00 0.00 C ATOM 138 OE1 GLN A 559 -10.397 -13.927 8.072 1.00 0.00 O ATOM 139 NE2 GLN A 559 -10.185 -16.071 8.685 1.00 0.00 N ATOM 0 H GLN A 559 -8.605 -16.119 3.634 1.00 0.00 H new ATOM 0 HA GLN A 559 -8.525 -16.244 6.493 1.00 0.00 H new ATOM 0 HB2 GLN A 559 -9.946 -14.703 5.093 1.00 0.00 H new ATOM 0 HB3 GLN A 559 -10.846 -16.090 4.511 1.00 0.00 H new ATOM 0 HG2 GLN A 559 -12.047 -14.855 6.300 1.00 0.00 H new ATOM 0 HG3 GLN A 559 -11.750 -16.529 6.725 1.00 0.00 H new ATOM 0 HE21 GLN A 559 -10.345 -17.052 8.458 1.00 0.00 H new ATOM 0 HE22 GLN A 559 -9.729 -15.818 9.562 1.00 0.00 H new ATOM 148 N LYS A 560 -9.835 -18.787 4.821 1.00 0.00 N ATOM 149 CA LYS A 560 -10.303 -20.178 4.938 1.00 0.00 C ATOM 150 C LYS A 560 -9.126 -21.139 5.220 1.00 0.00 C ATOM 151 O LYS A 560 -9.326 -22.185 5.824 1.00 0.00 O ATOM 152 CB LYS A 560 -11.094 -20.609 3.669 1.00 0.00 C ATOM 153 CG LYS A 560 -10.246 -20.815 2.398 1.00 0.00 C ATOM 154 CD LYS A 560 -11.097 -21.015 1.122 1.00 0.00 C ATOM 155 CE LYS A 560 -12.057 -22.214 1.209 1.00 0.00 C ATOM 156 NZ LYS A 560 -11.348 -23.493 1.465 1.00 0.00 N ATOM 0 H LYS A 560 -9.800 -18.439 3.863 1.00 0.00 H new ATOM 0 HA LYS A 560 -10.984 -20.233 5.787 1.00 0.00 H new ATOM 0 HB2 LYS A 560 -11.621 -21.538 3.888 1.00 0.00 H new ATOM 0 HB3 LYS A 560 -11.852 -19.854 3.461 1.00 0.00 H new ATOM 0 HG2 LYS A 560 -9.594 -19.952 2.260 1.00 0.00 H new ATOM 0 HG3 LYS A 560 -9.601 -21.683 2.536 1.00 0.00 H new ATOM 0 HD2 LYS A 560 -11.674 -20.110 0.934 1.00 0.00 H new ATOM 0 HD3 LYS A 560 -10.432 -21.152 0.269 1.00 0.00 H new ATOM 0 HE2 LYS A 560 -12.781 -22.038 2.004 1.00 0.00 H new ATOM 0 HE3 LYS A 560 -12.619 -22.294 0.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 560 -12.035 -24.274 1.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 560 -10.651 -23.660 0.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 560 -10.860 -23.442 2.382 1.00 0.00 H new ATOM 170 N LEU A 561 -7.897 -20.755 4.781 1.00 0.00 N ATOM 171 CA LEU A 561 -6.652 -21.512 5.062 1.00 0.00 C ATOM 172 C LEU A 561 -6.273 -21.355 6.538 1.00 0.00 C ATOM 173 O LEU A 561 -5.772 -22.298 7.158 1.00 0.00 O ATOM 174 CB LEU A 561 -5.471 -21.023 4.168 1.00 0.00 C ATOM 175 CG LEU A 561 -5.579 -21.337 2.642 1.00 0.00 C ATOM 176 CD1 LEU A 561 -4.383 -20.734 1.857 1.00 0.00 C ATOM 177 CD2 LEU A 561 -5.730 -22.855 2.395 1.00 0.00 C ATOM 0 H LEU A 561 -7.745 -19.914 4.224 1.00 0.00 H new ATOM 0 HA LEU A 561 -6.840 -22.561 4.834 1.00 0.00 H new ATOM 0 HB2 LEU A 561 -5.375 -19.944 4.289 1.00 0.00 H new ATOM 0 HB3 LEU A 561 -4.550 -21.469 4.544 1.00 0.00 H new ATOM 0 HG LEU A 561 -6.482 -20.859 2.263 1.00 0.00 H new ATOM 0 HD11 LEU A 561 -4.487 -20.970 0.798 1.00 0.00 H new ATOM 0 HD12 LEU A 561 -4.370 -19.652 1.988 1.00 0.00 H new ATOM 0 HD13 LEU A 561 -3.451 -21.156 2.233 1.00 0.00 H new ATOM 0 HD21 LEU A 561 -5.803 -23.044 1.324 1.00 0.00 H new ATOM 0 HD22 LEU A 561 -4.862 -23.377 2.797 1.00 0.00 H new ATOM 0 HD23 LEU A 561 -6.632 -23.216 2.889 1.00 0.00 H new ATOM 189 N LEU A 562 -6.515 -20.142 7.078 1.00 0.00 N ATOM 190 CA LEU A 562 -6.255 -19.822 8.491 1.00 0.00 C ATOM 191 C LEU A 562 -7.151 -20.690 9.387 1.00 0.00 C ATOM 192 O LEU A 562 -6.657 -21.410 10.254 1.00 0.00 O ATOM 193 CB LEU A 562 -6.464 -18.285 8.740 1.00 0.00 C ATOM 194 CG LEU A 562 -6.110 -17.696 10.162 1.00 0.00 C ATOM 195 CD1 LEU A 562 -7.318 -17.726 11.121 1.00 0.00 C ATOM 196 CD2 LEU A 562 -4.877 -18.398 10.782 1.00 0.00 C ATOM 0 H LEU A 562 -6.896 -19.360 6.545 1.00 0.00 H new ATOM 0 HA LEU A 562 -5.219 -20.049 8.744 1.00 0.00 H new ATOM 0 HB2 LEU A 562 -5.871 -17.746 8.001 1.00 0.00 H new ATOM 0 HB3 LEU A 562 -7.510 -18.056 8.538 1.00 0.00 H new ATOM 0 HG LEU A 562 -5.849 -16.649 10.011 1.00 0.00 H new ATOM 0 HD11 LEU A 562 -7.027 -17.311 12.086 1.00 0.00 H new ATOM 0 HD12 LEU A 562 -8.131 -17.133 10.701 1.00 0.00 H new ATOM 0 HD13 LEU A 562 -7.651 -18.755 11.254 1.00 0.00 H new ATOM 0 HD21 LEU A 562 -4.665 -17.965 11.760 1.00 0.00 H new ATOM 0 HD22 LEU A 562 -5.082 -19.463 10.893 1.00 0.00 H new ATOM 0 HD23 LEU A 562 -4.014 -18.261 10.130 1.00 0.00 H new ATOM 208 N GLU A 563 -8.461 -20.652 9.108 1.00 0.00 N ATOM 209 CA GLU A 563 -9.478 -21.396 9.873 1.00 0.00 C ATOM 210 C GLU A 563 -9.344 -22.920 9.674 1.00 0.00 C ATOM 211 O GLU A 563 -9.663 -23.706 10.584 1.00 0.00 O ATOM 212 CB GLU A 563 -10.876 -20.891 9.474 1.00 0.00 C ATOM 213 CG GLU A 563 -11.109 -19.410 9.820 1.00 0.00 C ATOM 214 CD GLU A 563 -12.501 -18.905 9.434 1.00 0.00 C ATOM 215 OE1 GLU A 563 -13.483 -19.338 10.069 1.00 0.00 O ATOM 216 OE2 GLU A 563 -12.616 -18.078 8.508 1.00 0.00 O ATOM 0 H GLU A 563 -8.850 -20.102 8.342 1.00 0.00 H new ATOM 0 HA GLU A 563 -9.324 -21.214 10.937 1.00 0.00 H new ATOM 0 HB2 GLU A 563 -11.014 -21.033 8.402 1.00 0.00 H new ATOM 0 HB3 GLU A 563 -11.631 -21.497 9.975 1.00 0.00 H new ATOM 0 HG2 GLU A 563 -10.964 -19.268 10.891 1.00 0.00 H new ATOM 0 HG3 GLU A 563 -10.358 -18.804 9.313 1.00 0.00 H new ATOM 223 N GLN A 564 -8.844 -23.318 8.486 1.00 0.00 N ATOM 224 CA GLN A 564 -8.502 -24.723 8.185 1.00 0.00 C ATOM 225 C GLN A 564 -7.379 -25.191 9.119 1.00 0.00 C ATOM 226 O GLN A 564 -7.465 -26.255 9.717 1.00 0.00 O ATOM 227 CB GLN A 564 -8.051 -24.893 6.700 1.00 0.00 C ATOM 228 CG GLN A 564 -7.600 -26.323 6.314 1.00 0.00 C ATOM 229 CD GLN A 564 -8.721 -27.366 6.391 1.00 0.00 C ATOM 230 OE1 GLN A 564 -9.889 -27.071 6.126 1.00 0.00 O ATOM 231 NE2 GLN A 564 -8.377 -28.592 6.761 1.00 0.00 N ATOM 0 H GLN A 564 -8.667 -22.678 7.712 1.00 0.00 H new ATOM 0 HA GLN A 564 -9.394 -25.330 8.341 1.00 0.00 H new ATOM 0 HB2 GLN A 564 -8.875 -24.600 6.050 1.00 0.00 H new ATOM 0 HB3 GLN A 564 -7.230 -24.204 6.504 1.00 0.00 H new ATOM 0 HG2 GLN A 564 -7.200 -26.307 5.300 1.00 0.00 H new ATOM 0 HG3 GLN A 564 -6.787 -26.628 6.973 1.00 0.00 H new ATOM 0 HE21 GLN A 564 -7.403 -28.806 6.974 1.00 0.00 H new ATOM 0 HE22 GLN A 564 -9.087 -29.321 6.833 1.00 0.00 H new ATOM 240 N ALA A 565 -6.347 -24.342 9.249 1.00 0.00 N ATOM 241 CA ALA A 565 -5.149 -24.618 10.065 1.00 0.00 C ATOM 242 C ALA A 565 -5.479 -24.646 11.577 1.00 0.00 C ATOM 243 O ALA A 565 -4.798 -25.317 12.362 1.00 0.00 O ATOM 244 CB ALA A 565 -4.071 -23.568 9.754 1.00 0.00 C ATOM 0 H ALA A 565 -6.319 -23.434 8.786 1.00 0.00 H new ATOM 0 HA ALA A 565 -4.773 -25.608 9.808 1.00 0.00 H new ATOM 0 HB1 ALA A 565 -3.184 -23.768 10.355 1.00 0.00 H new ATOM 0 HB2 ALA A 565 -3.811 -23.615 8.696 1.00 0.00 H new ATOM 0 HB3 ALA A 565 -4.452 -22.574 9.990 1.00 0.00 H new ATOM 250 N LEU A 566 -6.527 -23.897 11.974 1.00 0.00 N ATOM 251 CA LEU A 566 -7.023 -23.875 13.367 1.00 0.00 C ATOM 252 C LEU A 566 -7.694 -25.203 13.752 1.00 0.00 C ATOM 253 O LEU A 566 -7.688 -25.592 14.924 1.00 0.00 O ATOM 254 CB LEU A 566 -8.010 -22.700 13.582 1.00 0.00 C ATOM 255 CG LEU A 566 -7.437 -21.269 13.332 1.00 0.00 C ATOM 256 CD1 LEU A 566 -8.532 -20.204 13.487 1.00 0.00 C ATOM 257 CD2 LEU A 566 -6.216 -20.972 14.232 1.00 0.00 C ATOM 0 H LEU A 566 -7.052 -23.292 11.342 1.00 0.00 H new ATOM 0 HA LEU A 566 -6.158 -23.734 14.015 1.00 0.00 H new ATOM 0 HB2 LEU A 566 -8.867 -22.847 12.924 1.00 0.00 H new ATOM 0 HB3 LEU A 566 -8.382 -22.747 14.605 1.00 0.00 H new ATOM 0 HG LEU A 566 -7.083 -21.232 12.302 1.00 0.00 H new ATOM 0 HD11 LEU A 566 -8.107 -19.216 13.308 1.00 0.00 H new ATOM 0 HD12 LEU A 566 -9.328 -20.393 12.766 1.00 0.00 H new ATOM 0 HD13 LEU A 566 -8.940 -20.246 14.497 1.00 0.00 H new ATOM 0 HD21 LEU A 566 -5.848 -19.967 14.026 1.00 0.00 H new ATOM 0 HD22 LEU A 566 -6.510 -21.044 15.279 1.00 0.00 H new ATOM 0 HD23 LEU A 566 -5.428 -21.696 14.026 1.00 0.00 H new ATOM 269 N LYS A 567 -8.272 -25.885 12.751 1.00 0.00 N ATOM 270 CA LYS A 567 -8.976 -27.163 12.942 1.00 0.00 C ATOM 271 C LYS A 567 -8.004 -28.354 12.785 1.00 0.00 C ATOM 272 O LYS A 567 -7.999 -29.271 13.615 1.00 0.00 O ATOM 273 CB LYS A 567 -10.148 -27.275 11.931 1.00 0.00 C ATOM 274 CG LYS A 567 -10.930 -28.607 12.000 1.00 0.00 C ATOM 275 CD LYS A 567 -12.137 -28.655 11.033 1.00 0.00 C ATOM 276 CE LYS A 567 -13.251 -27.656 11.411 1.00 0.00 C ATOM 277 NZ LYS A 567 -13.798 -27.909 12.772 1.00 0.00 N ATOM 0 H LYS A 567 -8.264 -25.564 11.783 1.00 0.00 H new ATOM 0 HA LYS A 567 -9.380 -27.192 13.954 1.00 0.00 H new ATOM 0 HB2 LYS A 567 -10.841 -26.452 12.105 1.00 0.00 H new ATOM 0 HB3 LYS A 567 -9.754 -27.152 10.922 1.00 0.00 H new ATOM 0 HG2 LYS A 567 -10.254 -29.430 11.769 1.00 0.00 H new ATOM 0 HG3 LYS A 567 -11.283 -28.761 13.020 1.00 0.00 H new ATOM 0 HD2 LYS A 567 -11.793 -28.442 10.021 1.00 0.00 H new ATOM 0 HD3 LYS A 567 -12.549 -29.664 11.024 1.00 0.00 H new ATOM 0 HE2 LYS A 567 -12.857 -26.641 11.363 1.00 0.00 H new ATOM 0 HE3 LYS A 567 -14.057 -27.720 10.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 567 -14.659 -27.343 12.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 567 -14.027 -28.919 12.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 567 -13.090 -27.642 13.486 1.00 0.00 H new ATOM 291 N THR A 568 -7.196 -28.320 11.703 1.00 0.00 N ATOM 292 CA THR A 568 -6.221 -29.379 11.359 1.00 0.00 C ATOM 293 C THR A 568 -5.167 -29.531 12.467 1.00 0.00 C ATOM 294 O THR A 568 -4.884 -30.642 12.934 1.00 0.00 O ATOM 295 CB THR A 568 -5.527 -29.063 9.988 1.00 0.00 C ATOM 296 OG1 THR A 568 -6.518 -28.943 8.953 1.00 0.00 O ATOM 297 CG2 THR A 568 -4.499 -30.136 9.579 1.00 0.00 C ATOM 0 H THR A 568 -7.202 -27.548 11.036 1.00 0.00 H new ATOM 0 HA THR A 568 -6.762 -30.321 11.267 1.00 0.00 H new ATOM 0 HB THR A 568 -4.991 -28.123 10.116 1.00 0.00 H new ATOM 0 HG1 THR A 568 -6.983 -28.085 9.043 1.00 0.00 H new ATOM 0 HG21 THR A 568 -4.051 -29.865 8.623 1.00 0.00 H new ATOM 0 HG22 THR A 568 -3.720 -30.202 10.339 1.00 0.00 H new ATOM 0 HG23 THR A 568 -4.998 -31.101 9.485 1.00 0.00 H new ATOM 305 N TYR A 569 -4.605 -28.391 12.887 1.00 0.00 N ATOM 306 CA TYR A 569 -3.660 -28.318 14.005 1.00 0.00 C ATOM 307 C TYR A 569 -4.454 -27.830 15.226 1.00 0.00 C ATOM 308 O TYR A 569 -4.975 -26.715 15.183 1.00 0.00 O ATOM 309 CB TYR A 569 -2.490 -27.344 13.667 1.00 0.00 C ATOM 310 CG TYR A 569 -1.938 -27.518 12.243 1.00 0.00 C ATOM 311 CD1 TYR A 569 -1.349 -28.723 11.827 1.00 0.00 C ATOM 312 CD2 TYR A 569 -2.036 -26.492 11.300 1.00 0.00 C ATOM 313 CE1 TYR A 569 -0.871 -28.877 10.536 1.00 0.00 C ATOM 314 CE2 TYR A 569 -1.563 -26.649 10.016 1.00 0.00 C ATOM 315 CZ TYR A 569 -0.986 -27.839 9.637 1.00 0.00 C ATOM 316 OH TYR A 569 -0.502 -27.977 8.355 1.00 0.00 O ATOM 0 H TYR A 569 -4.796 -27.486 12.456 1.00 0.00 H new ATOM 0 HA TYR A 569 -3.212 -29.291 14.206 1.00 0.00 H new ATOM 0 HB2 TYR A 569 -2.835 -26.318 13.791 1.00 0.00 H new ATOM 0 HB3 TYR A 569 -1.682 -27.497 14.382 1.00 0.00 H new ATOM 0 HD1 TYR A 569 -1.267 -29.543 12.525 1.00 0.00 H new ATOM 0 HD2 TYR A 569 -2.493 -25.555 11.584 1.00 0.00 H new ATOM 0 HE1 TYR A 569 -0.410 -29.806 10.235 1.00 0.00 H new ATOM 0 HE2 TYR A 569 -1.645 -25.838 9.307 1.00 0.00 H new ATOM 0 HH TYR A 569 -0.555 -28.918 8.085 1.00 0.00 H new ATOM 326 N PRO A 570 -4.644 -28.666 16.292 1.00 0.00 N ATOM 327 CA PRO A 570 -5.345 -28.223 17.521 1.00 0.00 C ATOM 328 C PRO A 570 -4.502 -27.205 18.319 1.00 0.00 C ATOM 329 O PRO A 570 -3.272 -27.182 18.203 1.00 0.00 O ATOM 330 CB PRO A 570 -5.559 -29.541 18.313 1.00 0.00 C ATOM 331 CG PRO A 570 -4.449 -30.440 17.850 1.00 0.00 C ATOM 332 CD PRO A 570 -4.214 -30.091 16.390 1.00 0.00 C ATOM 0 HA PRO A 570 -6.280 -27.704 17.311 1.00 0.00 H new ATOM 0 HB2 PRO A 570 -5.510 -29.371 19.388 1.00 0.00 H new ATOM 0 HB3 PRO A 570 -6.536 -29.976 18.104 1.00 0.00 H new ATOM 0 HG2 PRO A 570 -3.546 -30.282 18.440 1.00 0.00 H new ATOM 0 HG3 PRO A 570 -4.723 -31.489 17.962 1.00 0.00 H new ATOM 0 HD2 PRO A 570 -3.167 -30.213 16.113 1.00 0.00 H new ATOM 0 HD3 PRO A 570 -4.796 -30.731 15.727 1.00 0.00 H new ATOM 340 N VAL A 571 -5.183 -26.389 19.147 1.00 0.00 N ATOM 341 CA VAL A 571 -4.545 -25.365 20.012 1.00 0.00 C ATOM 342 C VAL A 571 -3.593 -26.025 21.064 1.00 0.00 C ATOM 343 O VAL A 571 -2.674 -25.382 21.588 1.00 0.00 O ATOM 344 CB VAL A 571 -5.650 -24.471 20.707 1.00 0.00 C ATOM 345 CG1 VAL A 571 -6.613 -25.339 21.574 1.00 0.00 C ATOM 346 CG2 VAL A 571 -5.017 -23.299 21.519 1.00 0.00 C ATOM 0 H VAL A 571 -6.198 -26.418 19.238 1.00 0.00 H new ATOM 0 HA VAL A 571 -3.930 -24.718 19.386 1.00 0.00 H new ATOM 0 HB VAL A 571 -6.251 -24.014 19.921 1.00 0.00 H new ATOM 0 HG11 VAL A 571 -7.362 -24.698 22.039 1.00 0.00 H new ATOM 0 HG12 VAL A 571 -7.109 -26.075 20.941 1.00 0.00 H new ATOM 0 HG13 VAL A 571 -6.043 -25.852 22.349 1.00 0.00 H new ATOM 0 HG21 VAL A 571 -5.808 -22.708 21.981 1.00 0.00 H new ATOM 0 HG22 VAL A 571 -4.366 -23.703 22.294 1.00 0.00 H new ATOM 0 HG23 VAL A 571 -4.435 -22.666 20.850 1.00 0.00 H new ATOM 356 N ASN A 572 -3.799 -27.339 21.295 1.00 0.00 N ATOM 357 CA ASN A 572 -3.028 -28.158 22.260 1.00 0.00 C ATOM 358 C ASN A 572 -1.568 -28.374 21.790 1.00 0.00 C ATOM 359 O ASN A 572 -0.676 -28.596 22.615 1.00 0.00 O ATOM 360 CB ASN A 572 -3.733 -29.531 22.448 1.00 0.00 C ATOM 361 CG ASN A 572 -5.217 -29.391 22.790 1.00 0.00 C ATOM 362 OD1 ASN A 572 -6.064 -29.328 21.897 1.00 0.00 O ATOM 363 ND2 ASN A 572 -5.543 -29.320 24.070 1.00 0.00 N ATOM 0 H ASN A 572 -4.519 -27.872 20.808 1.00 0.00 H new ATOM 0 HA ASN A 572 -2.993 -27.623 23.209 1.00 0.00 H new ATOM 0 HB2 ASN A 572 -3.629 -30.116 21.534 1.00 0.00 H new ATOM 0 HB3 ASN A 572 -3.232 -30.086 23.241 1.00 0.00 H new ATOM 0 HD21 ASN A 572 -6.520 -29.210 24.342 1.00 0.00 H new ATOM 0 HD22 ASN A 572 -4.818 -29.375 24.785 1.00 0.00 H new ATOM 370 N THR A 573 -1.342 -28.301 20.465 1.00 0.00 N ATOM 371 CA THR A 573 -0.018 -28.518 19.836 1.00 0.00 C ATOM 372 C THR A 573 0.993 -27.389 20.207 1.00 0.00 C ATOM 373 O THR A 573 0.620 -26.217 20.190 1.00 0.00 O ATOM 374 CB THR A 573 -0.185 -28.610 18.272 1.00 0.00 C ATOM 375 OG1 THR A 573 -1.212 -29.561 17.964 1.00 0.00 O ATOM 376 CG2 THR A 573 1.108 -29.029 17.544 1.00 0.00 C ATOM 0 H THR A 573 -2.078 -28.088 19.791 1.00 0.00 H new ATOM 0 HA THR A 573 0.388 -29.455 20.217 1.00 0.00 H new ATOM 0 HB THR A 573 -0.445 -27.610 17.924 1.00 0.00 H new ATOM 0 HG1 THR A 573 -1.214 -29.740 17.001 1.00 0.00 H new ATOM 0 HG21 THR A 573 0.923 -29.073 16.471 1.00 0.00 H new ATOM 0 HG22 THR A 573 1.893 -28.300 17.748 1.00 0.00 H new ATOM 0 HG23 THR A 573 1.423 -30.010 17.898 1.00 0.00 H new ATOM 384 N PRO A 574 2.281 -27.722 20.592 1.00 0.00 N ATOM 385 CA PRO A 574 3.340 -26.696 20.831 1.00 0.00 C ATOM 386 C PRO A 574 3.814 -26.034 19.510 1.00 0.00 C ATOM 387 O PRO A 574 4.261 -24.887 19.494 1.00 0.00 O ATOM 388 CB PRO A 574 4.476 -27.510 21.507 1.00 0.00 C ATOM 389 CG PRO A 574 4.300 -28.905 20.980 1.00 0.00 C ATOM 390 CD PRO A 574 2.799 -29.100 20.859 1.00 0.00 C ATOM 0 HA PRO A 574 2.992 -25.863 21.442 1.00 0.00 H new ATOM 0 HB2 PRO A 574 5.457 -27.110 21.252 1.00 0.00 H new ATOM 0 HB3 PRO A 574 4.393 -27.482 22.593 1.00 0.00 H new ATOM 0 HG2 PRO A 574 4.792 -29.026 20.015 1.00 0.00 H new ATOM 0 HG3 PRO A 574 4.739 -29.639 21.656 1.00 0.00 H new ATOM 0 HD2 PRO A 574 2.549 -29.785 20.049 1.00 0.00 H new ATOM 0 HD3 PRO A 574 2.375 -29.517 21.772 1.00 0.00 H new ATOM 398 N GLU A 575 3.676 -26.780 18.398 1.00 0.00 N ATOM 399 CA GLU A 575 4.058 -26.339 17.038 1.00 0.00 C ATOM 400 C GLU A 575 2.831 -25.777 16.293 1.00 0.00 C ATOM 401 O GLU A 575 2.829 -25.711 15.064 1.00 0.00 O ATOM 402 CB GLU A 575 4.639 -27.553 16.268 1.00 0.00 C ATOM 403 CG GLU A 575 5.817 -28.253 16.965 1.00 0.00 C ATOM 404 CD GLU A 575 6.232 -29.547 16.244 1.00 0.00 C ATOM 405 OE1 GLU A 575 5.601 -30.597 16.489 1.00 0.00 O ATOM 406 OE2 GLU A 575 7.164 -29.520 15.414 1.00 0.00 O ATOM 0 H GLU A 575 3.289 -27.724 18.417 1.00 0.00 H new ATOM 0 HA GLU A 575 4.807 -25.550 17.105 1.00 0.00 H new ATOM 0 HB2 GLU A 575 3.843 -28.281 16.111 1.00 0.00 H new ATOM 0 HB3 GLU A 575 4.964 -27.219 15.283 1.00 0.00 H new ATOM 0 HG2 GLU A 575 6.668 -27.573 17.007 1.00 0.00 H new ATOM 0 HG3 GLU A 575 5.543 -28.484 17.994 1.00 0.00 H new ATOM 413 N ARG A 576 1.824 -25.334 17.067 1.00 0.00 N ATOM 414 CA ARG A 576 0.490 -24.942 16.568 1.00 0.00 C ATOM 415 C ARG A 576 0.603 -23.874 15.466 1.00 0.00 C ATOM 416 O ARG A 576 0.249 -24.122 14.315 1.00 0.00 O ATOM 417 CB ARG A 576 -0.361 -24.432 17.775 1.00 0.00 C ATOM 418 CG ARG A 576 -1.900 -24.350 17.561 1.00 0.00 C ATOM 419 CD ARG A 576 -2.429 -22.955 17.164 1.00 0.00 C ATOM 420 NE ARG A 576 -3.900 -22.881 17.265 1.00 0.00 N ATOM 421 CZ ARG A 576 -4.759 -23.534 16.469 1.00 0.00 C ATOM 422 NH1 ARG A 576 -4.332 -24.167 15.383 1.00 0.00 N ATOM 423 NH2 ARG A 576 -6.057 -23.521 16.743 1.00 0.00 N ATOM 0 H ARG A 576 1.915 -25.236 18.078 1.00 0.00 H new ATOM 0 HA ARG A 576 -0.003 -25.804 16.118 1.00 0.00 H new ATOM 0 HB2 ARG A 576 -0.170 -25.086 18.626 1.00 0.00 H new ATOM 0 HB3 ARG A 576 -0.002 -23.440 18.049 1.00 0.00 H new ATOM 0 HG2 ARG A 576 -2.183 -25.063 16.787 1.00 0.00 H new ATOM 0 HG3 ARG A 576 -2.397 -24.663 18.479 1.00 0.00 H new ATOM 0 HD2 ARG A 576 -1.981 -22.199 17.809 1.00 0.00 H new ATOM 0 HD3 ARG A 576 -2.122 -22.726 16.143 1.00 0.00 H new ATOM 0 HE ARG A 576 -4.293 -22.288 17.996 1.00 0.00 H new ATOM 0 HH11 ARG A 576 -3.340 -24.160 15.146 1.00 0.00 H new ATOM 0 HH12 ARG A 576 -4.996 -24.660 14.786 1.00 0.00 H new ATOM 0 HH21 ARG A 576 -6.401 -23.014 17.559 1.00 0.00 H new ATOM 0 HH22 ARG A 576 -6.711 -24.018 16.138 1.00 0.00 H new ATOM 437 N TRP A 577 1.179 -22.721 15.833 1.00 0.00 N ATOM 438 CA TRP A 577 1.333 -21.562 14.938 1.00 0.00 C ATOM 439 C TRP A 577 2.446 -21.781 13.899 1.00 0.00 C ATOM 440 O TRP A 577 2.410 -21.189 12.818 1.00 0.00 O ATOM 441 CB TRP A 577 1.602 -20.291 15.783 1.00 0.00 C ATOM 442 CG TRP A 577 0.457 -19.975 16.714 1.00 0.00 C ATOM 443 CD1 TRP A 577 0.395 -20.185 18.066 1.00 0.00 C ATOM 444 CD2 TRP A 577 -0.810 -19.432 16.331 1.00 0.00 C ATOM 445 NE1 TRP A 577 -0.830 -19.788 18.541 1.00 0.00 N ATOM 446 CE2 TRP A 577 -1.584 -19.328 17.496 1.00 0.00 C ATOM 447 CE3 TRP A 577 -1.355 -19.017 15.107 1.00 0.00 C ATOM 448 CZ2 TRP A 577 -2.881 -18.834 17.475 1.00 0.00 C ATOM 449 CZ3 TRP A 577 -2.643 -18.529 15.089 1.00 0.00 C ATOM 450 CH2 TRP A 577 -3.391 -18.440 16.265 1.00 0.00 C ATOM 0 H TRP A 577 1.555 -22.564 16.768 1.00 0.00 H new ATOM 0 HA TRP A 577 0.406 -21.434 14.379 1.00 0.00 H new ATOM 0 HB2 TRP A 577 2.514 -20.429 16.364 1.00 0.00 H new ATOM 0 HB3 TRP A 577 1.773 -19.444 15.119 1.00 0.00 H new ATOM 0 HD1 TRP A 577 1.190 -20.600 18.668 1.00 0.00 H new ATOM 0 HE1 TRP A 577 -1.130 -19.829 19.515 1.00 0.00 H new ATOM 0 HE3 TRP A 577 -0.776 -19.079 14.197 1.00 0.00 H new ATOM 0 HZ2 TRP A 577 -3.467 -18.763 18.379 1.00 0.00 H new ATOM 0 HZ3 TRP A 577 -3.080 -18.211 14.154 1.00 0.00 H new ATOM 0 HH2 TRP A 577 -4.397 -18.051 16.220 1.00 0.00 H new ATOM 461 N LYS A 578 3.409 -22.656 14.228 1.00 0.00 N ATOM 462 CA LYS A 578 4.539 -22.976 13.331 1.00 0.00 C ATOM 463 C LYS A 578 4.047 -23.728 12.085 1.00 0.00 C ATOM 464 O LYS A 578 4.538 -23.516 10.974 1.00 0.00 O ATOM 465 CB LYS A 578 5.614 -23.813 14.074 1.00 0.00 C ATOM 466 CG LYS A 578 6.153 -23.162 15.374 1.00 0.00 C ATOM 467 CD LYS A 578 6.665 -21.709 15.169 1.00 0.00 C ATOM 468 CE LYS A 578 7.815 -21.599 14.147 1.00 0.00 C ATOM 469 NZ LYS A 578 8.182 -20.191 13.880 1.00 0.00 N ATOM 0 H LYS A 578 3.430 -23.160 15.115 1.00 0.00 H new ATOM 0 HA LYS A 578 4.992 -22.037 13.013 1.00 0.00 H new ATOM 0 HB2 LYS A 578 5.192 -24.787 14.319 1.00 0.00 H new ATOM 0 HB3 LYS A 578 6.450 -23.989 13.397 1.00 0.00 H new ATOM 0 HG2 LYS A 578 5.363 -23.159 16.125 1.00 0.00 H new ATOM 0 HG3 LYS A 578 6.965 -23.773 15.768 1.00 0.00 H new ATOM 0 HD2 LYS A 578 5.836 -21.083 14.839 1.00 0.00 H new ATOM 0 HD3 LYS A 578 7.002 -21.313 16.127 1.00 0.00 H new ATOM 0 HE2 LYS A 578 8.686 -22.137 14.521 1.00 0.00 H new ATOM 0 HE3 LYS A 578 7.520 -22.080 13.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 578 8.958 -20.160 13.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 578 7.358 -19.684 13.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 578 8.488 -19.738 14.765 1.00 0.00 H new ATOM 483 N LYS A 579 3.071 -24.617 12.299 1.00 0.00 N ATOM 484 CA LYS A 579 2.429 -25.386 11.225 1.00 0.00 C ATOM 485 C LYS A 579 1.366 -24.550 10.498 1.00 0.00 C ATOM 486 O LYS A 579 1.058 -24.820 9.334 1.00 0.00 O ATOM 487 CB LYS A 579 1.841 -26.697 11.795 1.00 0.00 C ATOM 488 CG LYS A 579 2.914 -27.629 12.395 1.00 0.00 C ATOM 489 CD LYS A 579 2.366 -28.999 12.850 1.00 0.00 C ATOM 490 CE LYS A 579 3.488 -29.939 13.326 1.00 0.00 C ATOM 491 NZ LYS A 579 3.004 -31.317 13.566 1.00 0.00 N ATOM 0 H LYS A 579 2.702 -24.825 13.227 1.00 0.00 H new ATOM 0 HA LYS A 579 3.183 -25.647 10.482 1.00 0.00 H new ATOM 0 HB2 LYS A 579 1.107 -26.455 12.564 1.00 0.00 H new ATOM 0 HB3 LYS A 579 1.311 -27.225 11.003 1.00 0.00 H new ATOM 0 HG2 LYS A 579 3.698 -27.789 11.655 1.00 0.00 H new ATOM 0 HG3 LYS A 579 3.378 -27.132 13.247 1.00 0.00 H new ATOM 0 HD2 LYS A 579 1.649 -28.853 13.658 1.00 0.00 H new ATOM 0 HD3 LYS A 579 1.827 -29.466 12.026 1.00 0.00 H new ATOM 0 HE2 LYS A 579 4.282 -29.960 12.579 1.00 0.00 H new ATOM 0 HE3 LYS A 579 3.924 -29.545 14.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 579 3.795 -31.912 13.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 579 2.265 -31.303 14.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 579 2.612 -31.706 12.685 1.00 0.00 H new ATOM 505 N ILE A 580 0.799 -23.541 11.194 1.00 0.00 N ATOM 506 CA ILE A 580 -0.122 -22.552 10.573 1.00 0.00 C ATOM 507 C ILE A 580 0.660 -21.626 9.616 1.00 0.00 C ATOM 508 O ILE A 580 0.107 -21.121 8.643 1.00 0.00 O ATOM 509 CB ILE A 580 -0.906 -21.717 11.665 1.00 0.00 C ATOM 510 CG1 ILE A 580 -1.834 -22.665 12.493 1.00 0.00 C ATOM 511 CG2 ILE A 580 -1.722 -20.542 11.052 1.00 0.00 C ATOM 512 CD1 ILE A 580 -2.673 -21.982 13.552 1.00 0.00 C ATOM 0 H ILE A 580 0.961 -23.386 12.189 1.00 0.00 H new ATOM 0 HA ILE A 580 -0.868 -23.099 9.996 1.00 0.00 H new ATOM 0 HB ILE A 580 -0.165 -21.266 12.325 1.00 0.00 H new ATOM 0 HG12 ILE A 580 -2.500 -23.187 11.806 1.00 0.00 H new ATOM 0 HG13 ILE A 580 -1.216 -23.423 12.975 1.00 0.00 H new ATOM 0 HG21 ILE A 580 -2.239 -20.004 11.847 1.00 0.00 H new ATOM 0 HG22 ILE A 580 -1.047 -19.862 10.534 1.00 0.00 H new ATOM 0 HG23 ILE A 580 -2.453 -20.936 10.346 1.00 0.00 H new ATOM 0 HD11 ILE A 580 -3.281 -22.724 14.070 1.00 0.00 H new ATOM 0 HD12 ILE A 580 -2.020 -21.484 14.269 1.00 0.00 H new ATOM 0 HD13 ILE A 580 -3.324 -21.245 13.081 1.00 0.00 H new ATOM 524 N ALA A 581 1.954 -21.400 9.915 1.00 0.00 N ATOM 525 CA ALA A 581 2.902 -20.737 8.985 1.00 0.00 C ATOM 526 C ALA A 581 3.000 -21.487 7.646 1.00 0.00 C ATOM 527 O ALA A 581 3.025 -20.873 6.571 1.00 0.00 O ATOM 528 CB ALA A 581 4.289 -20.594 9.633 1.00 0.00 C ATOM 0 H ALA A 581 2.375 -21.669 10.804 1.00 0.00 H new ATOM 0 HA ALA A 581 2.514 -19.740 8.775 1.00 0.00 H new ATOM 0 HB1 ALA A 581 4.968 -20.106 8.934 1.00 0.00 H new ATOM 0 HB2 ALA A 581 4.207 -19.994 10.539 1.00 0.00 H new ATOM 0 HB3 ALA A 581 4.676 -21.581 9.886 1.00 0.00 H new ATOM 534 N GLU A 582 3.033 -22.824 7.737 1.00 0.00 N ATOM 535 CA GLU A 582 3.145 -23.716 6.569 1.00 0.00 C ATOM 536 C GLU A 582 1.807 -23.767 5.799 1.00 0.00 C ATOM 537 O GLU A 582 1.784 -23.838 4.567 1.00 0.00 O ATOM 538 CB GLU A 582 3.582 -25.132 7.036 1.00 0.00 C ATOM 539 CG GLU A 582 4.863 -25.144 7.888 1.00 0.00 C ATOM 540 CD GLU A 582 5.294 -26.562 8.293 1.00 0.00 C ATOM 541 OE1 GLU A 582 4.694 -27.127 9.231 1.00 0.00 O ATOM 542 OE2 GLU A 582 6.222 -27.120 7.669 1.00 0.00 O ATOM 0 H GLU A 582 2.983 -23.322 8.626 1.00 0.00 H new ATOM 0 HA GLU A 582 3.902 -23.327 5.888 1.00 0.00 H new ATOM 0 HB2 GLU A 582 2.771 -25.580 7.611 1.00 0.00 H new ATOM 0 HB3 GLU A 582 3.736 -25.761 6.159 1.00 0.00 H new ATOM 0 HG2 GLU A 582 5.670 -24.669 7.330 1.00 0.00 H new ATOM 0 HG3 GLU A 582 4.703 -24.547 8.786 1.00 0.00 H new ATOM 549 N ALA A 583 0.696 -23.716 6.551 1.00 0.00 N ATOM 550 CA ALA A 583 -0.674 -23.795 5.988 1.00 0.00 C ATOM 551 C ALA A 583 -1.163 -22.434 5.444 1.00 0.00 C ATOM 552 O ALA A 583 -2.023 -22.386 4.556 1.00 0.00 O ATOM 553 CB ALA A 583 -1.640 -24.329 7.055 1.00 0.00 C ATOM 0 H ALA A 583 0.715 -23.619 7.566 1.00 0.00 H new ATOM 0 HA ALA A 583 -0.648 -24.482 5.142 1.00 0.00 H new ATOM 0 HB1 ALA A 583 -2.646 -24.386 6.639 1.00 0.00 H new ATOM 0 HB2 ALA A 583 -1.321 -25.322 7.370 1.00 0.00 H new ATOM 0 HB3 ALA A 583 -1.640 -23.658 7.914 1.00 0.00 H new ATOM 559 N VAL A 584 -0.617 -21.328 5.997 1.00 0.00 N ATOM 560 CA VAL A 584 -0.994 -19.947 5.627 1.00 0.00 C ATOM 561 C VAL A 584 0.299 -19.162 5.305 1.00 0.00 C ATOM 562 O VAL A 584 0.888 -18.533 6.201 1.00 0.00 O ATOM 563 CB VAL A 584 -1.800 -19.199 6.770 1.00 0.00 C ATOM 564 CG1 VAL A 584 -2.425 -17.885 6.239 1.00 0.00 C ATOM 565 CG2 VAL A 584 -2.872 -20.117 7.393 1.00 0.00 C ATOM 0 H VAL A 584 0.103 -21.370 6.718 1.00 0.00 H new ATOM 0 HA VAL A 584 -1.655 -19.998 4.762 1.00 0.00 H new ATOM 0 HB VAL A 584 -1.094 -18.938 7.559 1.00 0.00 H new ATOM 0 HG11 VAL A 584 -2.972 -17.392 7.042 1.00 0.00 H new ATOM 0 HG12 VAL A 584 -1.635 -17.226 5.880 1.00 0.00 H new ATOM 0 HG13 VAL A 584 -3.108 -18.112 5.421 1.00 0.00 H new ATOM 0 HG21 VAL A 584 -3.407 -19.575 8.173 1.00 0.00 H new ATOM 0 HG22 VAL A 584 -3.575 -20.431 6.622 1.00 0.00 H new ATOM 0 HG23 VAL A 584 -2.392 -20.995 7.825 1.00 0.00 H new ATOM 575 N PRO A 585 0.817 -19.264 4.038 1.00 0.00 N ATOM 576 CA PRO A 585 2.007 -18.501 3.593 1.00 0.00 C ATOM 577 C PRO A 585 1.663 -17.023 3.298 1.00 0.00 C ATOM 578 O PRO A 585 0.515 -16.693 2.957 1.00 0.00 O ATOM 579 CB PRO A 585 2.451 -19.258 2.311 1.00 0.00 C ATOM 580 CG PRO A 585 1.181 -19.823 1.749 1.00 0.00 C ATOM 581 CD PRO A 585 0.294 -20.137 2.943 1.00 0.00 C ATOM 0 HA PRO A 585 2.790 -18.452 4.350 1.00 0.00 H new ATOM 0 HB2 PRO A 585 2.935 -18.587 1.601 1.00 0.00 H new ATOM 0 HB3 PRO A 585 3.167 -20.046 2.544 1.00 0.00 H new ATOM 0 HG2 PRO A 585 0.698 -19.109 1.082 1.00 0.00 H new ATOM 0 HG3 PRO A 585 1.379 -20.721 1.164 1.00 0.00 H new ATOM 0 HD2 PRO A 585 -0.752 -19.920 2.728 1.00 0.00 H new ATOM 0 HD3 PRO A 585 0.352 -21.191 3.214 1.00 0.00 H new ATOM 589 N GLY A 586 2.661 -16.142 3.476 1.00 0.00 N ATOM 590 CA GLY A 586 2.530 -14.705 3.202 1.00 0.00 C ATOM 591 C GLY A 586 1.964 -13.906 4.380 1.00 0.00 C ATOM 592 O GLY A 586 2.414 -12.788 4.650 1.00 0.00 O ATOM 0 H GLY A 586 3.585 -16.410 3.816 1.00 0.00 H new ATOM 0 HA2 GLY A 586 3.508 -14.303 2.938 1.00 0.00 H new ATOM 0 HA3 GLY A 586 1.884 -14.566 2.335 1.00 0.00 H new ATOM 596 N ARG A 587 0.976 -14.485 5.088 1.00 0.00 N ATOM 597 CA ARG A 587 0.382 -13.881 6.302 1.00 0.00 C ATOM 598 C ARG A 587 1.197 -14.321 7.520 1.00 0.00 C ATOM 599 O ARG A 587 1.512 -15.505 7.641 1.00 0.00 O ATOM 600 CB ARG A 587 -1.099 -14.330 6.472 1.00 0.00 C ATOM 601 CG ARG A 587 -1.994 -14.126 5.228 1.00 0.00 C ATOM 602 CD ARG A 587 -2.092 -12.663 4.770 1.00 0.00 C ATOM 603 NE ARG A 587 -2.947 -12.526 3.579 1.00 0.00 N ATOM 604 CZ ARG A 587 -2.872 -11.542 2.675 1.00 0.00 C ATOM 605 NH1 ARG A 587 -1.957 -10.591 2.776 1.00 0.00 N ATOM 606 NH2 ARG A 587 -3.712 -11.520 1.660 1.00 0.00 N ATOM 0 H ARG A 587 0.565 -15.384 4.837 1.00 0.00 H new ATOM 0 HA ARG A 587 0.401 -12.795 6.208 1.00 0.00 H new ATOM 0 HB2 ARG A 587 -1.113 -15.386 6.741 1.00 0.00 H new ATOM 0 HB3 ARG A 587 -1.535 -13.782 7.307 1.00 0.00 H new ATOM 0 HG2 ARG A 587 -1.604 -14.729 4.408 1.00 0.00 H new ATOM 0 HG3 ARG A 587 -2.995 -14.497 5.447 1.00 0.00 H new ATOM 0 HD2 ARG A 587 -2.494 -12.053 5.579 1.00 0.00 H new ATOM 0 HD3 ARG A 587 -1.095 -12.282 4.549 1.00 0.00 H new ATOM 0 HE ARG A 587 -3.657 -13.243 3.430 1.00 0.00 H new ATOM 0 HH11 ARG A 587 -1.295 -10.601 3.552 1.00 0.00 H new ATOM 0 HH12 ARG A 587 -1.914 -9.848 2.078 1.00 0.00 H new ATOM 0 HH21 ARG A 587 -4.417 -12.251 1.565 1.00 0.00 H new ATOM 0 HH22 ARG A 587 -3.658 -10.772 0.969 1.00 0.00 H new ATOM 620 N THR A 588 1.517 -13.379 8.419 1.00 0.00 N ATOM 621 CA THR A 588 2.337 -13.664 9.609 1.00 0.00 C ATOM 622 C THR A 588 1.457 -14.131 10.776 1.00 0.00 C ATOM 623 O THR A 588 0.245 -13.879 10.800 1.00 0.00 O ATOM 624 CB THR A 588 3.184 -12.415 10.017 1.00 0.00 C ATOM 625 OG1 THR A 588 2.324 -11.340 10.367 1.00 0.00 O ATOM 626 CG2 THR A 588 4.110 -11.944 8.883 1.00 0.00 C ATOM 0 H THR A 588 1.219 -12.406 8.345 1.00 0.00 H new ATOM 0 HA THR A 588 3.026 -14.470 9.359 1.00 0.00 H new ATOM 0 HB THR A 588 3.799 -12.713 10.866 1.00 0.00 H new ATOM 0 HG1 THR A 588 1.511 -11.380 9.821 1.00 0.00 H new ATOM 0 HG21 THR A 588 4.678 -11.074 9.214 1.00 0.00 H new ATOM 0 HG22 THR A 588 4.798 -12.747 8.618 1.00 0.00 H new ATOM 0 HG23 THR A 588 3.512 -11.677 8.012 1.00 0.00 H new ATOM 634 N LYS A 589 2.089 -14.822 11.733 1.00 0.00 N ATOM 635 CA LYS A 589 1.387 -15.498 12.843 1.00 0.00 C ATOM 636 C LYS A 589 0.807 -14.515 13.851 1.00 0.00 C ATOM 637 O LYS A 589 -0.153 -14.861 14.534 1.00 0.00 O ATOM 638 CB LYS A 589 2.310 -16.547 13.530 1.00 0.00 C ATOM 639 CG LYS A 589 2.327 -17.958 12.863 1.00 0.00 C ATOM 640 CD LYS A 589 2.457 -17.938 11.307 1.00 0.00 C ATOM 641 CE LYS A 589 1.093 -17.967 10.555 1.00 0.00 C ATOM 642 NZ LYS A 589 1.238 -17.820 9.088 1.00 0.00 N ATOM 0 H LYS A 589 3.103 -14.931 11.764 1.00 0.00 H new ATOM 0 HA LYS A 589 0.539 -16.028 12.409 1.00 0.00 H new ATOM 0 HB2 LYS A 589 3.328 -16.157 13.544 1.00 0.00 H new ATOM 0 HB3 LYS A 589 1.997 -16.658 14.568 1.00 0.00 H new ATOM 0 HG2 LYS A 589 3.157 -18.531 13.277 1.00 0.00 H new ATOM 0 HG3 LYS A 589 1.411 -18.484 13.132 1.00 0.00 H new ATOM 0 HD2 LYS A 589 3.004 -17.043 11.010 1.00 0.00 H new ATOM 0 HD3 LYS A 589 3.052 -18.795 10.992 1.00 0.00 H new ATOM 0 HE2 LYS A 589 0.585 -18.906 10.772 1.00 0.00 H new ATOM 0 HE3 LYS A 589 0.458 -17.166 10.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 589 0.857 -16.898 8.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 589 2.244 -17.878 8.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 589 0.714 -18.581 8.609 1.00 0.00 H new ATOM 656 N LYS A 590 1.372 -13.298 13.928 1.00 0.00 N ATOM 657 CA LYS A 590 0.800 -12.216 14.747 1.00 0.00 C ATOM 658 C LYS A 590 -0.627 -11.877 14.253 1.00 0.00 C ATOM 659 O LYS A 590 -1.548 -11.770 15.062 1.00 0.00 O ATOM 660 CB LYS A 590 1.709 -10.953 14.728 1.00 0.00 C ATOM 661 CG LYS A 590 2.018 -10.404 13.318 1.00 0.00 C ATOM 662 CD LYS A 590 2.873 -9.122 13.338 1.00 0.00 C ATOM 663 CE LYS A 590 3.180 -8.598 11.921 1.00 0.00 C ATOM 664 NZ LYS A 590 1.941 -8.334 11.133 1.00 0.00 N ATOM 0 H LYS A 590 2.225 -13.039 13.432 1.00 0.00 H new ATOM 0 HA LYS A 590 0.741 -12.560 15.780 1.00 0.00 H new ATOM 0 HB2 LYS A 590 1.229 -10.168 15.312 1.00 0.00 H new ATOM 0 HB3 LYS A 590 2.649 -11.191 15.225 1.00 0.00 H new ATOM 0 HG2 LYS A 590 2.538 -11.170 12.743 1.00 0.00 H new ATOM 0 HG3 LYS A 590 1.080 -10.199 12.802 1.00 0.00 H new ATOM 0 HD2 LYS A 590 2.351 -8.349 13.903 1.00 0.00 H new ATOM 0 HD3 LYS A 590 3.809 -9.321 13.860 1.00 0.00 H new ATOM 0 HE2 LYS A 590 3.764 -7.680 11.994 1.00 0.00 H new ATOM 0 HE3 LYS A 590 3.796 -9.326 11.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 590 1.838 -9.059 10.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 590 1.115 -8.364 11.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 590 2.005 -7.395 10.690 1.00 0.00 H new ATOM 678 N ASP A 591 -0.789 -11.793 12.904 1.00 0.00 N ATOM 679 CA ASP A 591 -2.082 -11.473 12.240 1.00 0.00 C ATOM 680 C ASP A 591 -3.055 -12.649 12.377 1.00 0.00 C ATOM 681 O ASP A 591 -4.270 -12.462 12.510 1.00 0.00 O ATOM 682 CB ASP A 591 -1.878 -11.144 10.730 1.00 0.00 C ATOM 683 CG ASP A 591 -0.845 -10.036 10.456 1.00 0.00 C ATOM 684 OD1 ASP A 591 -0.771 -9.069 11.244 1.00 0.00 O ATOM 685 OD2 ASP A 591 -0.069 -10.151 9.477 1.00 0.00 O ATOM 0 H ASP A 591 -0.025 -11.946 12.246 1.00 0.00 H new ATOM 0 HA ASP A 591 -2.497 -10.594 12.733 1.00 0.00 H new ATOM 0 HB2 ASP A 591 -1.567 -12.051 10.212 1.00 0.00 H new ATOM 0 HB3 ASP A 591 -2.835 -10.845 10.303 1.00 0.00 H new ATOM 690 N CYS A 592 -2.485 -13.867 12.321 1.00 0.00 N ATOM 691 CA CYS A 592 -3.229 -15.127 12.475 1.00 0.00 C ATOM 692 C CYS A 592 -3.801 -15.257 13.896 1.00 0.00 C ATOM 693 O CYS A 592 -4.894 -15.794 14.087 1.00 0.00 O ATOM 694 CB CYS A 592 -2.302 -16.310 12.126 1.00 0.00 C ATOM 695 SG CYS A 592 -1.693 -16.240 10.430 1.00 0.00 S ATOM 0 H CYS A 592 -1.486 -14.003 12.166 1.00 0.00 H new ATOM 0 HA CYS A 592 -4.077 -15.133 11.790 1.00 0.00 H new ATOM 0 HB2 CYS A 592 -1.455 -16.317 12.812 1.00 0.00 H new ATOM 0 HB3 CYS A 592 -2.841 -17.245 12.276 1.00 0.00 H new ATOM 0 HG CYS A 592 -0.808 -15.294 10.325 1.00 0.00 H new ATOM 701 N MET A 593 -3.047 -14.732 14.885 1.00 0.00 N ATOM 702 CA MET A 593 -3.478 -14.682 16.299 1.00 0.00 C ATOM 703 C MET A 593 -4.597 -13.654 16.492 1.00 0.00 C ATOM 704 O MET A 593 -5.498 -13.876 17.297 1.00 0.00 O ATOM 705 CB MET A 593 -2.286 -14.350 17.236 1.00 0.00 C ATOM 706 CG MET A 593 -1.250 -15.464 17.352 1.00 0.00 C ATOM 707 SD MET A 593 0.172 -14.986 18.346 1.00 0.00 S ATOM 708 CE MET A 593 1.333 -16.287 17.936 1.00 0.00 C ATOM 0 H MET A 593 -2.123 -14.331 14.726 1.00 0.00 H new ATOM 0 HA MET A 593 -3.859 -15.669 16.561 1.00 0.00 H new ATOM 0 HB2 MET A 593 -1.794 -13.448 16.873 1.00 0.00 H new ATOM 0 HB3 MET A 593 -2.672 -14.124 18.230 1.00 0.00 H new ATOM 0 HG2 MET A 593 -1.717 -16.345 17.793 1.00 0.00 H new ATOM 0 HG3 MET A 593 -0.913 -15.747 16.355 1.00 0.00 H new ATOM 0 HE1 MET A 593 2.265 -16.126 18.477 1.00 0.00 H new ATOM 0 HE2 MET A 593 0.912 -17.252 18.217 1.00 0.00 H new ATOM 0 HE3 MET A 593 1.529 -16.275 16.864 1.00 0.00 H new ATOM 718 N LYS A 594 -4.513 -12.527 15.748 1.00 0.00 N ATOM 719 CA LYS A 594 -5.558 -11.472 15.762 1.00 0.00 C ATOM 720 C LYS A 594 -6.906 -12.063 15.328 1.00 0.00 C ATOM 721 O LYS A 594 -7.900 -11.946 16.048 1.00 0.00 O ATOM 722 CB LYS A 594 -5.193 -10.270 14.835 1.00 0.00 C ATOM 723 CG LYS A 594 -3.834 -9.605 15.133 1.00 0.00 C ATOM 724 CD LYS A 594 -3.686 -9.142 16.604 1.00 0.00 C ATOM 725 CE LYS A 594 -2.311 -8.521 16.898 1.00 0.00 C ATOM 726 NZ LYS A 594 -2.059 -7.317 16.070 1.00 0.00 N ATOM 0 H LYS A 594 -3.730 -12.323 15.127 1.00 0.00 H new ATOM 0 HA LYS A 594 -5.626 -11.097 16.783 1.00 0.00 H new ATOM 0 HB2 LYS A 594 -5.192 -10.615 13.801 1.00 0.00 H new ATOM 0 HB3 LYS A 594 -5.975 -9.516 14.919 1.00 0.00 H new ATOM 0 HG2 LYS A 594 -3.035 -10.308 14.899 1.00 0.00 H new ATOM 0 HG3 LYS A 594 -3.706 -8.746 14.475 1.00 0.00 H new ATOM 0 HD2 LYS A 594 -4.464 -8.414 16.831 1.00 0.00 H new ATOM 0 HD3 LYS A 594 -3.844 -9.994 17.266 1.00 0.00 H new ATOM 0 HE2 LYS A 594 -2.251 -8.255 17.953 1.00 0.00 H new ATOM 0 HE3 LYS A 594 -1.532 -9.260 16.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 594 -1.186 -6.851 16.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 594 -1.956 -7.596 15.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 594 -2.858 -6.658 16.164 1.00 0.00 H new ATOM 740 N ARG A 595 -6.895 -12.754 14.173 1.00 0.00 N ATOM 741 CA ARG A 595 -8.115 -13.320 13.572 1.00 0.00 C ATOM 742 C ARG A 595 -8.679 -14.446 14.470 1.00 0.00 C ATOM 743 O ARG A 595 -9.874 -14.471 14.745 1.00 0.00 O ATOM 744 CB ARG A 595 -7.870 -13.827 12.103 1.00 0.00 C ATOM 745 CG ARG A 595 -9.040 -13.527 11.113 1.00 0.00 C ATOM 746 CD ARG A 595 -10.408 -14.067 11.590 1.00 0.00 C ATOM 747 NE ARG A 595 -11.519 -13.715 10.694 1.00 0.00 N ATOM 748 CZ ARG A 595 -12.409 -12.729 10.898 1.00 0.00 C ATOM 749 NH1 ARG A 595 -12.329 -11.936 11.963 1.00 0.00 N ATOM 750 NH2 ARG A 595 -13.371 -12.542 10.014 1.00 0.00 N ATOM 0 H ARG A 595 -6.048 -12.934 13.635 1.00 0.00 H new ATOM 0 HA ARG A 595 -8.856 -12.523 13.506 1.00 0.00 H new ATOM 0 HB2 ARG A 595 -6.959 -13.367 11.720 1.00 0.00 H new ATOM 0 HB3 ARG A 595 -7.698 -14.903 12.127 1.00 0.00 H new ATOM 0 HG2 ARG A 595 -9.115 -12.449 10.968 1.00 0.00 H new ATOM 0 HG3 ARG A 595 -8.805 -13.964 10.142 1.00 0.00 H new ATOM 0 HD2 ARG A 595 -10.351 -15.152 11.678 1.00 0.00 H new ATOM 0 HD3 ARG A 595 -10.617 -13.677 12.586 1.00 0.00 H new ATOM 0 HE ARG A 595 -11.623 -14.268 9.843 1.00 0.00 H new ATOM 0 HH11 ARG A 595 -11.582 -12.070 12.644 1.00 0.00 H new ATOM 0 HH12 ARG A 595 -13.015 -11.193 12.099 1.00 0.00 H new ATOM 0 HH21 ARG A 595 -13.431 -13.141 9.191 1.00 0.00 H new ATOM 0 HH22 ARG A 595 -14.055 -11.798 10.154 1.00 0.00 H new ATOM 764 N TYR A 596 -7.797 -15.345 14.944 1.00 0.00 N ATOM 765 CA TYR A 596 -8.190 -16.464 15.834 1.00 0.00 C ATOM 766 C TYR A 596 -8.781 -15.949 17.156 1.00 0.00 C ATOM 767 O TYR A 596 -9.732 -16.532 17.675 1.00 0.00 O ATOM 768 CB TYR A 596 -6.976 -17.380 16.086 1.00 0.00 C ATOM 769 CG TYR A 596 -7.174 -18.519 17.110 1.00 0.00 C ATOM 770 CD1 TYR A 596 -8.156 -19.500 16.936 1.00 0.00 C ATOM 771 CD2 TYR A 596 -6.347 -18.636 18.234 1.00 0.00 C ATOM 772 CE1 TYR A 596 -8.308 -20.539 17.839 1.00 0.00 C ATOM 773 CE2 TYR A 596 -6.491 -19.675 19.135 1.00 0.00 C ATOM 774 CZ TYR A 596 -7.470 -20.626 18.934 1.00 0.00 C ATOM 775 OH TYR A 596 -7.608 -21.671 19.827 1.00 0.00 O ATOM 0 H TYR A 596 -6.801 -15.321 14.726 1.00 0.00 H new ATOM 0 HA TYR A 596 -8.970 -17.043 15.340 1.00 0.00 H new ATOM 0 HB2 TYR A 596 -6.680 -17.823 15.135 1.00 0.00 H new ATOM 0 HB3 TYR A 596 -6.145 -16.760 16.421 1.00 0.00 H new ATOM 0 HD1 TYR A 596 -8.810 -19.446 16.078 1.00 0.00 H new ATOM 0 HD2 TYR A 596 -5.578 -17.897 18.401 1.00 0.00 H new ATOM 0 HE1 TYR A 596 -9.080 -21.279 17.688 1.00 0.00 H new ATOM 0 HE2 TYR A 596 -5.839 -19.742 19.993 1.00 0.00 H new ATOM 0 HH TYR A 596 -7.950 -22.460 19.357 1.00 0.00 H new ATOM 785 N LYS A 597 -8.229 -14.833 17.666 1.00 0.00 N ATOM 786 CA LYS A 597 -8.740 -14.172 18.886 1.00 0.00 C ATOM 787 C LYS A 597 -10.184 -13.693 18.649 1.00 0.00 C ATOM 788 O LYS A 597 -11.067 -13.937 19.472 1.00 0.00 O ATOM 789 CB LYS A 597 -7.849 -12.966 19.280 1.00 0.00 C ATOM 790 CG LYS A 597 -8.255 -12.273 20.602 1.00 0.00 C ATOM 791 CD LYS A 597 -7.446 -10.983 20.874 1.00 0.00 C ATOM 792 CE LYS A 597 -7.799 -10.338 22.225 1.00 0.00 C ATOM 793 NZ LYS A 597 -7.428 -11.212 23.363 1.00 0.00 N ATOM 0 H LYS A 597 -7.423 -14.366 17.250 1.00 0.00 H new ATOM 0 HA LYS A 597 -8.720 -14.895 19.702 1.00 0.00 H new ATOM 0 HB2 LYS A 597 -6.817 -13.306 19.365 1.00 0.00 H new ATOM 0 HB3 LYS A 597 -7.878 -12.231 18.476 1.00 0.00 H new ATOM 0 HG2 LYS A 597 -9.317 -12.030 20.569 1.00 0.00 H new ATOM 0 HG3 LYS A 597 -8.112 -12.967 21.430 1.00 0.00 H new ATOM 0 HD2 LYS A 597 -6.381 -11.215 20.853 1.00 0.00 H new ATOM 0 HD3 LYS A 597 -7.632 -10.266 20.074 1.00 0.00 H new ATOM 0 HE2 LYS A 597 -7.284 -9.382 22.317 1.00 0.00 H new ATOM 0 HE3 LYS A 597 -8.868 -10.129 22.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 597 -7.506 -10.677 24.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 597 -8.068 -12.031 23.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 597 -6.449 -11.542 23.242 1.00 0.00 H new ATOM 807 N GLU A 598 -10.398 -13.036 17.478 1.00 0.00 N ATOM 808 CA GLU A 598 -11.729 -12.570 17.033 1.00 0.00 C ATOM 809 C GLU A 598 -12.725 -13.744 16.980 1.00 0.00 C ATOM 810 O GLU A 598 -13.844 -13.632 17.477 1.00 0.00 O ATOM 811 CB GLU A 598 -11.655 -11.895 15.628 1.00 0.00 C ATOM 812 CG GLU A 598 -10.770 -10.643 15.558 1.00 0.00 C ATOM 813 CD GLU A 598 -10.728 -10.003 14.157 1.00 0.00 C ATOM 814 OE1 GLU A 598 -10.059 -10.553 13.255 1.00 0.00 O ATOM 815 OE2 GLU A 598 -11.390 -8.965 13.940 1.00 0.00 O ATOM 0 H GLU A 598 -9.650 -12.817 16.820 1.00 0.00 H new ATOM 0 HA GLU A 598 -12.073 -11.833 17.758 1.00 0.00 H new ATOM 0 HB2 GLU A 598 -11.283 -12.625 14.909 1.00 0.00 H new ATOM 0 HB3 GLU A 598 -12.664 -11.626 15.316 1.00 0.00 H new ATOM 0 HG2 GLU A 598 -11.136 -9.908 16.275 1.00 0.00 H new ATOM 0 HG3 GLU A 598 -9.756 -10.906 15.860 1.00 0.00 H new ATOM 822 N LEU A 599 -12.270 -14.882 16.403 1.00 0.00 N ATOM 823 CA LEU A 599 -13.110 -16.079 16.180 1.00 0.00 C ATOM 824 C LEU A 599 -13.583 -16.694 17.507 1.00 0.00 C ATOM 825 O LEU A 599 -14.771 -16.967 17.668 1.00 0.00 O ATOM 826 CB LEU A 599 -12.350 -17.139 15.331 1.00 0.00 C ATOM 827 CG LEU A 599 -11.975 -16.690 13.885 1.00 0.00 C ATOM 828 CD1 LEU A 599 -11.150 -17.761 13.156 1.00 0.00 C ATOM 829 CD2 LEU A 599 -13.229 -16.285 13.073 1.00 0.00 C ATOM 0 H LEU A 599 -11.309 -14.994 16.080 1.00 0.00 H new ATOM 0 HA LEU A 599 -13.993 -15.758 15.627 1.00 0.00 H new ATOM 0 HB2 LEU A 599 -11.436 -17.414 15.857 1.00 0.00 H new ATOM 0 HB3 LEU A 599 -12.964 -18.037 15.267 1.00 0.00 H new ATOM 0 HG LEU A 599 -11.346 -15.804 13.973 1.00 0.00 H new ATOM 0 HD11 LEU A 599 -10.908 -17.413 12.152 1.00 0.00 H new ATOM 0 HD12 LEU A 599 -10.229 -17.948 13.707 1.00 0.00 H new ATOM 0 HD13 LEU A 599 -11.728 -18.683 13.091 1.00 0.00 H new ATOM 0 HD21 LEU A 599 -12.930 -15.978 12.071 1.00 0.00 H new ATOM 0 HD22 LEU A 599 -13.908 -17.135 13.005 1.00 0.00 H new ATOM 0 HD23 LEU A 599 -13.733 -15.457 13.571 1.00 0.00 H new ATOM 841 N VAL A 600 -12.640 -16.872 18.461 1.00 0.00 N ATOM 842 CA VAL A 600 -12.942 -17.449 19.790 1.00 0.00 C ATOM 843 C VAL A 600 -14.034 -16.621 20.505 1.00 0.00 C ATOM 844 O VAL A 600 -15.073 -17.157 20.907 1.00 0.00 O ATOM 845 CB VAL A 600 -11.649 -17.543 20.700 1.00 0.00 C ATOM 846 CG1 VAL A 600 -12.001 -18.026 22.136 1.00 0.00 C ATOM 847 CG2 VAL A 600 -10.579 -18.466 20.054 1.00 0.00 C ATOM 0 H VAL A 600 -11.659 -16.623 18.333 1.00 0.00 H new ATOM 0 HA VAL A 600 -13.309 -18.462 19.627 1.00 0.00 H new ATOM 0 HB VAL A 600 -11.229 -16.540 20.780 1.00 0.00 H new ATOM 0 HG11 VAL A 600 -11.092 -18.080 22.735 1.00 0.00 H new ATOM 0 HG12 VAL A 600 -12.697 -17.324 22.595 1.00 0.00 H new ATOM 0 HG13 VAL A 600 -12.461 -19.013 22.085 1.00 0.00 H new ATOM 0 HG21 VAL A 600 -9.702 -18.513 20.699 1.00 0.00 H new ATOM 0 HG22 VAL A 600 -10.991 -19.467 19.928 1.00 0.00 H new ATOM 0 HG23 VAL A 600 -10.293 -18.066 19.081 1.00 0.00 H new ATOM 857 N GLU A 601 -13.812 -15.299 20.570 1.00 0.00 N ATOM 858 CA GLU A 601 -14.684 -14.368 21.306 1.00 0.00 C ATOM 859 C GLU A 601 -16.073 -14.267 20.663 1.00 0.00 C ATOM 860 O GLU A 601 -17.089 -14.343 21.365 1.00 0.00 O ATOM 861 CB GLU A 601 -14.028 -12.966 21.385 1.00 0.00 C ATOM 862 CG GLU A 601 -12.636 -12.969 22.026 1.00 0.00 C ATOM 863 CD GLU A 601 -12.020 -11.566 22.128 1.00 0.00 C ATOM 864 OE1 GLU A 601 -11.579 -11.023 21.099 1.00 0.00 O ATOM 865 OE2 GLU A 601 -12.006 -10.989 23.234 1.00 0.00 O ATOM 0 H GLU A 601 -13.022 -14.844 20.113 1.00 0.00 H new ATOM 0 HA GLU A 601 -14.812 -14.761 22.315 1.00 0.00 H new ATOM 0 HB2 GLU A 601 -13.954 -12.553 20.379 1.00 0.00 H new ATOM 0 HB3 GLU A 601 -14.679 -12.302 21.955 1.00 0.00 H new ATOM 0 HG2 GLU A 601 -12.702 -13.404 23.023 1.00 0.00 H new ATOM 0 HG3 GLU A 601 -11.974 -13.609 21.442 1.00 0.00 H new ATOM 872 N MET A 602 -16.110 -14.133 19.316 1.00 0.00 N ATOM 873 CA MET A 602 -17.370 -13.882 18.586 1.00 0.00 C ATOM 874 C MET A 602 -18.303 -15.107 18.626 1.00 0.00 C ATOM 875 O MET A 602 -19.511 -14.941 18.736 1.00 0.00 O ATOM 876 CB MET A 602 -17.127 -13.432 17.109 1.00 0.00 C ATOM 877 CG MET A 602 -16.601 -14.513 16.146 1.00 0.00 C ATOM 878 SD MET A 602 -16.479 -13.958 14.427 1.00 0.00 S ATOM 879 CE MET A 602 -15.373 -12.553 14.546 1.00 0.00 C ATOM 0 H MET A 602 -15.286 -14.194 18.718 1.00 0.00 H new ATOM 0 HA MET A 602 -17.860 -13.057 19.103 1.00 0.00 H new ATOM 0 HB2 MET A 602 -18.065 -13.045 16.710 1.00 0.00 H new ATOM 0 HB3 MET A 602 -16.418 -12.604 17.115 1.00 0.00 H new ATOM 0 HG2 MET A 602 -15.618 -14.841 16.484 1.00 0.00 H new ATOM 0 HG3 MET A 602 -17.259 -15.380 16.193 1.00 0.00 H new ATOM 0 HE1 MET A 602 -14.685 -12.559 13.700 1.00 0.00 H new ATOM 0 HE2 MET A 602 -15.954 -11.631 14.535 1.00 0.00 H new ATOM 0 HE3 MET A 602 -14.806 -12.614 15.475 1.00 0.00 H new ATOM 889 N VAL A 603 -17.730 -16.332 18.556 1.00 0.00 N ATOM 890 CA VAL A 603 -18.510 -17.594 18.550 1.00 0.00 C ATOM 891 C VAL A 603 -19.116 -17.864 19.945 1.00 0.00 C ATOM 892 O VAL A 603 -20.301 -18.217 20.058 1.00 0.00 O ATOM 893 CB VAL A 603 -17.625 -18.815 18.068 1.00 0.00 C ATOM 894 CG1 VAL A 603 -18.366 -20.168 18.225 1.00 0.00 C ATOM 895 CG2 VAL A 603 -17.160 -18.610 16.598 1.00 0.00 C ATOM 0 H VAL A 603 -16.721 -16.474 18.502 1.00 0.00 H new ATOM 0 HA VAL A 603 -19.328 -17.481 17.838 1.00 0.00 H new ATOM 0 HB VAL A 603 -16.746 -18.851 18.711 1.00 0.00 H new ATOM 0 HG11 VAL A 603 -17.722 -20.978 17.882 1.00 0.00 H new ATOM 0 HG12 VAL A 603 -18.619 -20.325 19.274 1.00 0.00 H new ATOM 0 HG13 VAL A 603 -19.279 -20.154 17.630 1.00 0.00 H new ATOM 0 HG21 VAL A 603 -16.553 -19.460 16.286 1.00 0.00 H new ATOM 0 HG22 VAL A 603 -18.032 -18.529 15.949 1.00 0.00 H new ATOM 0 HG23 VAL A 603 -16.569 -17.697 16.527 1.00 0.00 H new ATOM 905 N LYS A 604 -18.305 -17.665 21.000 1.00 0.00 N ATOM 906 CA LYS A 604 -18.750 -17.846 22.401 1.00 0.00 C ATOM 907 C LYS A 604 -19.878 -16.854 22.747 1.00 0.00 C ATOM 908 O LYS A 604 -20.902 -17.237 23.317 1.00 0.00 O ATOM 909 CB LYS A 604 -17.554 -17.674 23.381 1.00 0.00 C ATOM 910 CG LYS A 604 -16.472 -18.772 23.268 1.00 0.00 C ATOM 911 CD LYS A 604 -15.241 -18.508 24.169 1.00 0.00 C ATOM 912 CE LYS A 604 -15.585 -18.448 25.674 1.00 0.00 C ATOM 913 NZ LYS A 604 -14.390 -18.162 26.506 1.00 0.00 N ATOM 0 H LYS A 604 -17.331 -17.377 20.911 1.00 0.00 H new ATOM 0 HA LYS A 604 -19.140 -18.858 22.507 1.00 0.00 H new ATOM 0 HB2 LYS A 604 -17.090 -16.704 23.202 1.00 0.00 H new ATOM 0 HB3 LYS A 604 -17.936 -17.661 24.402 1.00 0.00 H new ATOM 0 HG2 LYS A 604 -16.910 -19.734 23.535 1.00 0.00 H new ATOM 0 HG3 LYS A 604 -16.146 -18.847 22.231 1.00 0.00 H new ATOM 0 HD2 LYS A 604 -14.503 -19.293 24.003 1.00 0.00 H new ATOM 0 HD3 LYS A 604 -14.777 -17.567 23.872 1.00 0.00 H new ATOM 0 HE2 LYS A 604 -16.338 -17.678 25.844 1.00 0.00 H new ATOM 0 HE3 LYS A 604 -16.024 -19.396 25.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 604 -14.665 -18.130 27.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 604 -13.681 -18.910 26.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 604 -13.985 -17.245 26.229 1.00 0.00 H new ATOM 927 N ALA A 605 -19.677 -15.585 22.347 1.00 0.00 N ATOM 928 CA ALA A 605 -20.638 -14.488 22.596 1.00 0.00 C ATOM 929 C ALA A 605 -21.924 -14.650 21.761 1.00 0.00 C ATOM 930 O ALA A 605 -23.013 -14.289 22.218 1.00 0.00 O ATOM 931 CB ALA A 605 -19.989 -13.125 22.301 1.00 0.00 C ATOM 0 H ALA A 605 -18.843 -15.288 21.841 1.00 0.00 H new ATOM 0 HA ALA A 605 -20.915 -14.534 23.649 1.00 0.00 H new ATOM 0 HB1 ALA A 605 -20.710 -12.330 22.490 1.00 0.00 H new ATOM 0 HB2 ALA A 605 -19.121 -12.988 22.946 1.00 0.00 H new ATOM 0 HB3 ALA A 605 -19.675 -13.090 21.258 1.00 0.00 H new ATOM 937 N LYS A 606 -21.774 -15.192 20.534 1.00 0.00 N ATOM 938 CA LYS A 606 -22.891 -15.415 19.593 1.00 0.00 C ATOM 939 C LYS A 606 -23.895 -16.423 20.175 1.00 0.00 C ATOM 940 O LYS A 606 -25.097 -16.154 20.232 1.00 0.00 O ATOM 941 CB LYS A 606 -22.333 -15.940 18.247 1.00 0.00 C ATOM 942 CG LYS A 606 -23.364 -16.138 17.119 1.00 0.00 C ATOM 943 CD LYS A 606 -22.714 -16.744 15.852 1.00 0.00 C ATOM 944 CE LYS A 606 -23.691 -16.870 14.679 1.00 0.00 C ATOM 945 NZ LYS A 606 -24.191 -15.549 14.233 1.00 0.00 N ATOM 0 H LYS A 606 -20.870 -15.489 20.167 1.00 0.00 H new ATOM 0 HA LYS A 606 -23.410 -14.470 19.429 1.00 0.00 H new ATOM 0 HB2 LYS A 606 -21.570 -15.245 17.897 1.00 0.00 H new ATOM 0 HB3 LYS A 606 -21.836 -16.893 18.429 1.00 0.00 H new ATOM 0 HG2 LYS A 606 -24.163 -16.792 17.467 1.00 0.00 H new ATOM 0 HG3 LYS A 606 -23.821 -15.180 16.871 1.00 0.00 H new ATOM 0 HD2 LYS A 606 -21.871 -16.122 15.550 1.00 0.00 H new ATOM 0 HD3 LYS A 606 -22.314 -17.729 16.092 1.00 0.00 H new ATOM 0 HE2 LYS A 606 -23.197 -17.371 13.847 1.00 0.00 H new ATOM 0 HE3 LYS A 606 -24.533 -17.497 14.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 606 -24.697 -15.656 13.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 606 -24.839 -15.163 14.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 606 -23.389 -14.899 14.106 1.00 0.00 H new ATOM 959 N LYS A 607 -23.361 -17.583 20.618 1.00 0.00 N ATOM 960 CA LYS A 607 -24.160 -18.680 21.212 1.00 0.00 C ATOM 961 C LYS A 607 -24.669 -18.318 22.619 1.00 0.00 C ATOM 962 O LYS A 607 -25.684 -18.858 23.063 1.00 0.00 O ATOM 963 CB LYS A 607 -23.340 -20.009 21.253 1.00 0.00 C ATOM 964 CG LYS A 607 -23.338 -20.824 19.933 1.00 0.00 C ATOM 965 CD LYS A 607 -22.631 -20.106 18.755 1.00 0.00 C ATOM 966 CE LYS A 607 -22.553 -20.978 17.493 1.00 0.00 C ATOM 967 NZ LYS A 607 -21.761 -22.211 17.741 1.00 0.00 N ATOM 0 H LYS A 607 -22.362 -17.786 20.574 1.00 0.00 H new ATOM 0 HA LYS A 607 -25.030 -18.828 20.572 1.00 0.00 H new ATOM 0 HB2 LYS A 607 -22.309 -19.773 21.517 1.00 0.00 H new ATOM 0 HB3 LYS A 607 -23.738 -20.638 22.049 1.00 0.00 H new ATOM 0 HG2 LYS A 607 -22.848 -21.782 20.109 1.00 0.00 H new ATOM 0 HG3 LYS A 607 -24.368 -21.040 19.649 1.00 0.00 H new ATOM 0 HD2 LYS A 607 -23.165 -19.185 18.523 1.00 0.00 H new ATOM 0 HD3 LYS A 607 -21.623 -19.823 19.059 1.00 0.00 H new ATOM 0 HE2 LYS A 607 -23.559 -21.247 17.171 1.00 0.00 H new ATOM 0 HE3 LYS A 607 -22.100 -20.409 16.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 607 -21.523 -22.659 16.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 607 -20.886 -21.966 18.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 607 -22.320 -22.872 18.317 1.00 0.00 H new ATOM 981 N ALA A 608 -23.946 -17.414 23.312 1.00 0.00 N ATOM 982 CA ALA A 608 -24.348 -16.898 24.639 1.00 0.00 C ATOM 983 C ALA A 608 -25.623 -16.057 24.503 1.00 0.00 C ATOM 984 O ALA A 608 -26.627 -16.313 25.177 1.00 0.00 O ATOM 985 CB ALA A 608 -23.209 -16.064 25.270 1.00 0.00 C ATOM 0 H ALA A 608 -23.069 -17.021 22.969 1.00 0.00 H new ATOM 0 HA ALA A 608 -24.550 -17.742 25.299 1.00 0.00 H new ATOM 0 HB1 ALA A 608 -23.526 -15.694 26.245 1.00 0.00 H new ATOM 0 HB2 ALA A 608 -22.324 -16.689 25.389 1.00 0.00 H new ATOM 0 HB3 ALA A 608 -22.973 -15.220 24.621 1.00 0.00 H new