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 Single : A 555 THR OG1 : rot 180:sc= -0.0312 USER MOD Single : A 556 THR OG1 : rot 180:sc= 0 USER MOD Single : A 559 GLN : amide:sc= -1.3 K(o=-1.3,f=-3) USER MOD Single : A 560 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0595) USER MOD Single : A 564 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 567 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 568 THR OG1 : rot 65:sc= 1.06 USER MOD Single : A 569 TYR OH : rot 30:sc= 0 USER MOD Single : A 572 ASN : amide:sc= -0.0914 K(o=-0.091,f=-0.75) USER MOD Single : A 573 THR OG1 : rot 88:sc= -0.136 USER MOD Single : A 578 LYS NZ :NH3+ 141:sc= -1.14 (180deg=-3.29!) USER MOD Single : A 579 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.044) USER MOD Single : A 588 THR OG1 : rot -160:sc= 0.00146 USER MOD Single : A 589 LYS NZ :NH3+ -121:sc= -0.733 (180deg=-3.24!) USER MOD Single : A 590 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 592 CYS SG : rot 72:sc= -2.54! USER MOD Single : A 593 MET CE :methyl -153:sc= 0 (180deg=-0.375) USER MOD Single : A 594 LYS NZ :NH3+ -138:sc= 0.352 (180deg=-1.02) USER MOD Single : A 596 TYR OH : rot 30:sc= 0.225 USER MOD Single : A 597 LYS NZ :NH3+ 142:sc= 0.617 (180deg=-0.0296) USER MOD Single : A 602 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 604 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0289) USER MOD Single : A 606 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0384) USER MOD Single : A 607 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 49 N TRP A 554 -6.578 -10.200 4.982 1.00 0.00 N ATOM 50 CA TRP A 554 -7.193 -11.523 5.076 1.00 0.00 C ATOM 51 C TRP A 554 -8.167 -11.725 3.907 1.00 0.00 C ATOM 52 O TRP A 554 -9.358 -11.389 3.996 1.00 0.00 O ATOM 53 CB TRP A 554 -7.890 -11.709 6.454 1.00 0.00 C ATOM 54 CG TRP A 554 -6.906 -11.976 7.564 1.00 0.00 C ATOM 55 CD1 TRP A 554 -6.421 -11.094 8.489 1.00 0.00 C ATOM 56 CD2 TRP A 554 -6.255 -13.222 7.822 1.00 0.00 C ATOM 57 NE1 TRP A 554 -5.531 -11.726 9.312 1.00 0.00 N ATOM 58 CE2 TRP A 554 -5.411 -13.032 8.913 1.00 0.00 C ATOM 59 CE3 TRP A 554 -6.317 -14.483 7.229 1.00 0.00 C ATOM 60 CZ2 TRP A 554 -4.617 -14.050 9.426 1.00 0.00 C ATOM 61 CZ3 TRP A 554 -5.534 -15.494 7.742 1.00 0.00 C ATOM 62 CH2 TRP A 554 -4.692 -15.272 8.830 1.00 0.00 C ATOM 0 HA TRP A 554 -6.419 -12.287 5.006 1.00 0.00 H new ATOM 0 HB2 TRP A 554 -8.466 -10.814 6.690 1.00 0.00 H new ATOM 0 HB3 TRP A 554 -8.597 -12.536 6.392 1.00 0.00 H new ATOM 0 HD1 TRP A 554 -6.699 -10.053 8.559 1.00 0.00 H new ATOM 0 HE1 TRP A 554 -5.037 -11.296 10.094 1.00 0.00 H new ATOM 0 HE3 TRP A 554 -6.966 -14.663 6.385 1.00 0.00 H new ATOM 0 HZ2 TRP A 554 -3.963 -13.878 10.268 1.00 0.00 H new ATOM 0 HZ3 TRP A 554 -5.573 -16.476 7.293 1.00 0.00 H new ATOM 0 HH2 TRP A 554 -4.088 -16.084 9.207 1.00 0.00 H new ATOM 73 N THR A 555 -7.607 -12.206 2.782 1.00 0.00 N ATOM 74 CA THR A 555 -8.371 -12.578 1.593 1.00 0.00 C ATOM 75 C THR A 555 -9.029 -13.955 1.813 1.00 0.00 C ATOM 76 O THR A 555 -8.662 -14.669 2.754 1.00 0.00 O ATOM 77 CB THR A 555 -7.450 -12.602 0.328 1.00 0.00 C ATOM 78 OG1 THR A 555 -6.353 -13.512 0.529 1.00 0.00 O ATOM 79 CG2 THR A 555 -6.894 -11.202 -0.004 1.00 0.00 C ATOM 0 H THR A 555 -6.602 -12.346 2.679 1.00 0.00 H new ATOM 0 HA THR A 555 -9.150 -11.834 1.425 1.00 0.00 H new ATOM 0 HB THR A 555 -8.061 -12.935 -0.511 1.00 0.00 H new ATOM 0 HG1 THR A 555 -5.784 -13.520 -0.269 1.00 0.00 H new ATOM 0 HG21 THR A 555 -6.260 -11.263 -0.888 1.00 0.00 H new ATOM 0 HG22 THR A 555 -7.721 -10.518 -0.197 1.00 0.00 H new ATOM 0 HG23 THR A 555 -6.308 -10.834 0.838 1.00 0.00 H new ATOM 87 N THR A 556 -9.991 -14.312 0.942 1.00 0.00 N ATOM 88 CA THR A 556 -10.791 -15.547 1.069 1.00 0.00 C ATOM 89 C THR A 556 -9.896 -16.801 1.191 1.00 0.00 C ATOM 90 O THR A 556 -10.158 -17.668 2.032 1.00 0.00 O ATOM 91 CB THR A 556 -11.755 -15.696 -0.151 1.00 0.00 C ATOM 92 OG1 THR A 556 -12.593 -14.529 -0.254 1.00 0.00 O ATOM 93 CG2 THR A 556 -12.639 -16.955 -0.068 1.00 0.00 C ATOM 0 H THR A 556 -10.237 -13.751 0.127 1.00 0.00 H new ATOM 0 HA THR A 556 -11.376 -15.465 1.985 1.00 0.00 H new ATOM 0 HB THR A 556 -11.130 -15.799 -1.038 1.00 0.00 H new ATOM 0 HG1 THR A 556 -13.195 -14.625 -1.021 1.00 0.00 H new ATOM 0 HG21 THR A 556 -13.287 -17.003 -0.943 1.00 0.00 H new ATOM 0 HG22 THR A 556 -12.007 -17.842 -0.035 1.00 0.00 H new ATOM 0 HG23 THR A 556 -13.250 -16.912 0.834 1.00 0.00 H new ATOM 101 N GLU A 557 -8.821 -16.853 0.371 1.00 0.00 N ATOM 102 CA GLU A 557 -7.854 -17.973 0.376 1.00 0.00 C ATOM 103 C GLU A 557 -7.158 -18.084 1.753 1.00 0.00 C ATOM 104 O GLU A 557 -7.320 -19.094 2.431 1.00 0.00 O ATOM 105 CB GLU A 557 -6.840 -17.838 -0.809 1.00 0.00 C ATOM 106 CG GLU A 557 -6.003 -16.538 -0.829 1.00 0.00 C ATOM 107 CD GLU A 557 -5.201 -16.324 -2.124 1.00 0.00 C ATOM 108 OE1 GLU A 557 -4.358 -17.188 -2.466 1.00 0.00 O ATOM 109 OE2 GLU A 557 -5.406 -15.293 -2.810 1.00 0.00 O ATOM 0 H GLU A 557 -8.601 -16.124 -0.308 1.00 0.00 H new ATOM 0 HA GLU A 557 -8.392 -18.908 0.219 1.00 0.00 H new ATOM 0 HB2 GLU A 557 -6.158 -18.687 -0.778 1.00 0.00 H new ATOM 0 HB3 GLU A 557 -7.393 -17.907 -1.746 1.00 0.00 H new ATOM 0 HG2 GLU A 557 -6.669 -15.688 -0.683 1.00 0.00 H new ATOM 0 HG3 GLU A 557 -5.313 -16.551 0.015 1.00 0.00 H new ATOM 116 N GLU A 558 -6.504 -16.992 2.201 1.00 0.00 N ATOM 117 CA GLU A 558 -5.728 -16.954 3.465 1.00 0.00 C ATOM 118 C GLU A 558 -6.608 -17.265 4.682 1.00 0.00 C ATOM 119 O GLU A 558 -6.165 -17.919 5.633 1.00 0.00 O ATOM 120 CB GLU A 558 -5.074 -15.557 3.645 1.00 0.00 C ATOM 121 CG GLU A 558 -3.997 -15.218 2.599 1.00 0.00 C ATOM 122 CD GLU A 558 -2.711 -16.052 2.755 1.00 0.00 C ATOM 123 OE1 GLU A 558 -1.798 -15.610 3.488 1.00 0.00 O ATOM 124 OE2 GLU A 558 -2.607 -17.140 2.138 1.00 0.00 O ATOM 0 H GLU A 558 -6.497 -16.106 1.696 1.00 0.00 H new ATOM 0 HA GLU A 558 -4.956 -17.721 3.399 1.00 0.00 H new ATOM 0 HB2 GLU A 558 -5.854 -14.797 3.605 1.00 0.00 H new ATOM 0 HB3 GLU A 558 -4.628 -15.504 4.638 1.00 0.00 H new ATOM 0 HG2 GLU A 558 -4.406 -15.378 1.602 1.00 0.00 H new ATOM 0 HG3 GLU A 558 -3.747 -14.160 2.675 1.00 0.00 H new ATOM 131 N GLN A 559 -7.861 -16.792 4.615 1.00 0.00 N ATOM 132 CA GLN A 559 -8.813 -16.882 5.723 1.00 0.00 C ATOM 133 C GLN A 559 -9.282 -18.330 5.932 1.00 0.00 C ATOM 134 O GLN A 559 -9.255 -18.821 7.057 1.00 0.00 O ATOM 135 CB GLN A 559 -10.021 -15.940 5.484 1.00 0.00 C ATOM 136 CG GLN A 559 -11.007 -15.835 6.661 1.00 0.00 C ATOM 137 CD GLN A 559 -10.343 -15.373 7.960 1.00 0.00 C ATOM 138 OE1 GLN A 559 -10.212 -14.179 8.198 1.00 0.00 O ATOM 139 NE2 GLN A 559 -9.909 -16.314 8.794 1.00 0.00 N ATOM 0 H GLN A 559 -8.241 -16.335 3.786 1.00 0.00 H new ATOM 0 HA GLN A 559 -8.304 -16.561 6.632 1.00 0.00 H new ATOM 0 HB2 GLN A 559 -9.645 -14.943 5.255 1.00 0.00 H new ATOM 0 HB3 GLN A 559 -10.564 -16.286 4.605 1.00 0.00 H new ATOM 0 HG2 GLN A 559 -11.803 -15.138 6.399 1.00 0.00 H new ATOM 0 HG3 GLN A 559 -11.474 -16.806 6.824 1.00 0.00 H new ATOM 0 HE21 GLN A 559 -10.036 -17.299 8.562 1.00 0.00 H new ATOM 0 HE22 GLN A 559 -9.449 -16.050 9.666 1.00 0.00 H new ATOM 148 N LYS A 560 -9.690 -19.009 4.838 1.00 0.00 N ATOM 149 CA LYS A 560 -10.177 -20.410 4.908 1.00 0.00 C ATOM 150 C LYS A 560 -9.017 -21.379 5.209 1.00 0.00 C ATOM 151 O LYS A 560 -9.232 -22.448 5.793 1.00 0.00 O ATOM 152 CB LYS A 560 -10.926 -20.819 3.608 1.00 0.00 C ATOM 153 CG LYS A 560 -10.053 -20.926 2.340 1.00 0.00 C ATOM 154 CD LYS A 560 -10.878 -21.277 1.073 1.00 0.00 C ATOM 155 CE LYS A 560 -11.550 -22.663 1.150 1.00 0.00 C ATOM 156 NZ LYS A 560 -10.556 -23.759 1.284 1.00 0.00 N ATOM 0 H LYS A 560 -9.693 -18.614 3.898 1.00 0.00 H new ATOM 0 HA LYS A 560 -10.892 -20.472 5.729 1.00 0.00 H new ATOM 0 HB2 LYS A 560 -11.410 -21.781 3.776 1.00 0.00 H new ATOM 0 HB3 LYS A 560 -11.717 -20.093 3.422 1.00 0.00 H new ATOM 0 HG2 LYS A 560 -9.534 -19.981 2.180 1.00 0.00 H new ATOM 0 HG3 LYS A 560 -9.288 -21.688 2.493 1.00 0.00 H new ATOM 0 HD2 LYS A 560 -11.645 -20.517 0.924 1.00 0.00 H new ATOM 0 HD3 LYS A 560 -10.224 -21.245 0.201 1.00 0.00 H new ATOM 0 HE2 LYS A 560 -12.233 -22.688 1.999 1.00 0.00 H new ATOM 0 HE3 LYS A 560 -12.149 -22.825 0.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 560 -11.042 -24.677 1.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 560 -9.858 -23.691 0.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 560 -10.071 -23.678 2.200 1.00 0.00 H new ATOM 170 N LEU A 561 -7.785 -20.979 4.814 1.00 0.00 N ATOM 171 CA LEU A 561 -6.546 -21.695 5.178 1.00 0.00 C ATOM 172 C LEU A 561 -6.329 -21.628 6.700 1.00 0.00 C ATOM 173 O LEU A 561 -5.972 -22.631 7.318 1.00 0.00 O ATOM 174 CB LEU A 561 -5.316 -21.098 4.441 1.00 0.00 C ATOM 175 CG LEU A 561 -5.273 -21.280 2.888 1.00 0.00 C ATOM 176 CD1 LEU A 561 -4.094 -20.505 2.263 1.00 0.00 C ATOM 177 CD2 LEU A 561 -5.233 -22.766 2.491 1.00 0.00 C ATOM 0 H LEU A 561 -7.626 -20.154 4.236 1.00 0.00 H new ATOM 0 HA LEU A 561 -6.653 -22.736 4.872 1.00 0.00 H new ATOM 0 HB2 LEU A 561 -5.272 -20.031 4.660 1.00 0.00 H new ATOM 0 HB3 LEU A 561 -4.416 -21.547 4.862 1.00 0.00 H new ATOM 0 HG LEU A 561 -6.196 -20.860 2.489 1.00 0.00 H new ATOM 0 HD11 LEU A 561 -4.093 -20.653 1.183 1.00 0.00 H new ATOM 0 HD12 LEU A 561 -4.199 -19.443 2.484 1.00 0.00 H new ATOM 0 HD13 LEU A 561 -3.156 -20.871 2.680 1.00 0.00 H new ATOM 0 HD21 LEU A 561 -5.204 -22.852 1.405 1.00 0.00 H new ATOM 0 HD22 LEU A 561 -4.344 -23.232 2.916 1.00 0.00 H new ATOM 0 HD23 LEU A 561 -6.123 -23.268 2.871 1.00 0.00 H new ATOM 189 N LEU A 562 -6.566 -20.429 7.284 1.00 0.00 N ATOM 190 CA LEU A 562 -6.430 -20.194 8.737 1.00 0.00 C ATOM 191 C LEU A 562 -7.449 -21.034 9.516 1.00 0.00 C ATOM 192 O LEU A 562 -7.074 -21.825 10.371 1.00 0.00 O ATOM 193 CB LEU A 562 -6.627 -18.692 9.105 1.00 0.00 C ATOM 194 CG LEU A 562 -6.510 -18.356 10.635 1.00 0.00 C ATOM 195 CD1 LEU A 562 -5.068 -18.568 11.156 1.00 0.00 C ATOM 196 CD2 LEU A 562 -7.040 -16.939 10.957 1.00 0.00 C ATOM 0 H LEU A 562 -6.856 -19.602 6.761 1.00 0.00 H new ATOM 0 HA LEU A 562 -5.417 -20.488 9.011 1.00 0.00 H new ATOM 0 HB2 LEU A 562 -5.888 -18.102 8.563 1.00 0.00 H new ATOM 0 HB3 LEU A 562 -7.609 -18.374 8.754 1.00 0.00 H new ATOM 0 HG LEU A 562 -7.150 -19.059 11.169 1.00 0.00 H new ATOM 0 HD11 LEU A 562 -5.026 -18.326 12.218 1.00 0.00 H new ATOM 0 HD12 LEU A 562 -4.777 -19.608 11.009 1.00 0.00 H new ATOM 0 HD13 LEU A 562 -4.384 -17.919 10.608 1.00 0.00 H new ATOM 0 HD21 LEU A 562 -6.941 -16.747 12.025 1.00 0.00 H new ATOM 0 HD22 LEU A 562 -6.464 -16.200 10.401 1.00 0.00 H new ATOM 0 HD23 LEU A 562 -8.090 -16.870 10.672 1.00 0.00 H new ATOM 208 N GLU A 563 -8.732 -20.849 9.164 1.00 0.00 N ATOM 209 CA GLU A 563 -9.883 -21.495 9.827 1.00 0.00 C ATOM 210 C GLU A 563 -9.712 -23.022 9.861 1.00 0.00 C ATOM 211 O GLU A 563 -9.942 -23.654 10.894 1.00 0.00 O ATOM 212 CB GLU A 563 -11.192 -21.105 9.094 1.00 0.00 C ATOM 213 CG GLU A 563 -11.541 -19.604 9.169 1.00 0.00 C ATOM 214 CD GLU A 563 -12.742 -19.225 8.282 1.00 0.00 C ATOM 215 OE1 GLU A 563 -13.893 -19.305 8.756 1.00 0.00 O ATOM 216 OE2 GLU A 563 -12.538 -18.863 7.103 1.00 0.00 O ATOM 0 H GLU A 563 -9.006 -20.235 8.397 1.00 0.00 H new ATOM 0 HA GLU A 563 -9.936 -21.146 10.858 1.00 0.00 H new ATOM 0 HB2 GLU A 563 -11.108 -21.394 8.046 1.00 0.00 H new ATOM 0 HB3 GLU A 563 -12.016 -21.679 9.518 1.00 0.00 H new ATOM 0 HG2 GLU A 563 -11.761 -19.338 10.203 1.00 0.00 H new ATOM 0 HG3 GLU A 563 -10.673 -19.018 8.867 1.00 0.00 H new ATOM 223 N GLN A 564 -9.263 -23.587 8.726 1.00 0.00 N ATOM 224 CA GLN A 564 -8.971 -25.026 8.613 1.00 0.00 C ATOM 225 C GLN A 564 -7.783 -25.406 9.517 1.00 0.00 C ATOM 226 O GLN A 564 -7.869 -26.360 10.270 1.00 0.00 O ATOM 227 CB GLN A 564 -8.671 -25.413 7.140 1.00 0.00 C ATOM 228 CG GLN A 564 -8.371 -26.914 6.914 1.00 0.00 C ATOM 229 CD GLN A 564 -8.138 -27.303 5.450 1.00 0.00 C ATOM 230 OE1 GLN A 564 -8.669 -26.684 4.533 1.00 0.00 O ATOM 231 NE2 GLN A 564 -7.348 -28.340 5.232 1.00 0.00 N ATOM 0 H GLN A 564 -9.094 -23.063 7.868 1.00 0.00 H new ATOM 0 HA GLN A 564 -9.851 -25.579 8.941 1.00 0.00 H new ATOM 0 HB2 GLN A 564 -9.524 -25.130 6.523 1.00 0.00 H new ATOM 0 HB3 GLN A 564 -7.819 -24.830 6.792 1.00 0.00 H new ATOM 0 HG2 GLN A 564 -7.489 -27.186 7.494 1.00 0.00 H new ATOM 0 HG3 GLN A 564 -9.203 -27.500 7.304 1.00 0.00 H new ATOM 0 HE21 GLN A 564 -6.923 -28.832 6.018 1.00 0.00 H new ATOM 0 HE22 GLN A 564 -7.163 -28.649 4.278 1.00 0.00 H new ATOM 240 N ALA A 565 -6.700 -24.614 9.448 1.00 0.00 N ATOM 241 CA ALA A 565 -5.423 -24.893 10.148 1.00 0.00 C ATOM 242 C ALA A 565 -5.563 -24.837 11.689 1.00 0.00 C ATOM 243 O ALA A 565 -4.821 -25.497 12.413 1.00 0.00 O ATOM 244 CB ALA A 565 -4.341 -23.917 9.666 1.00 0.00 C ATOM 0 H ALA A 565 -6.680 -23.753 8.901 1.00 0.00 H new ATOM 0 HA ALA A 565 -5.130 -25.913 9.900 1.00 0.00 H new ATOM 0 HB1 ALA A 565 -3.405 -24.127 10.184 1.00 0.00 H new ATOM 0 HB2 ALA A 565 -4.196 -24.036 8.592 1.00 0.00 H new ATOM 0 HB3 ALA A 565 -4.652 -22.894 9.879 1.00 0.00 H new ATOM 250 N LEU A 566 -6.521 -24.040 12.176 1.00 0.00 N ATOM 251 CA LEU A 566 -6.832 -23.925 13.620 1.00 0.00 C ATOM 252 C LEU A 566 -7.461 -25.225 14.158 1.00 0.00 C ATOM 253 O LEU A 566 -7.348 -25.542 15.347 1.00 0.00 O ATOM 254 CB LEU A 566 -7.793 -22.729 13.844 1.00 0.00 C ATOM 255 CG LEU A 566 -7.210 -21.330 13.467 1.00 0.00 C ATOM 256 CD1 LEU A 566 -8.307 -20.246 13.422 1.00 0.00 C ATOM 257 CD2 LEU A 566 -6.061 -20.934 14.419 1.00 0.00 C ATOM 0 H LEU A 566 -7.108 -23.452 11.585 1.00 0.00 H new ATOM 0 HA LEU A 566 -5.904 -23.755 14.166 1.00 0.00 H new ATOM 0 HB2 LEU A 566 -8.699 -22.897 13.261 1.00 0.00 H new ATOM 0 HB3 LEU A 566 -8.088 -22.712 14.893 1.00 0.00 H new ATOM 0 HG LEU A 566 -6.797 -21.407 12.461 1.00 0.00 H new ATOM 0 HD11 LEU A 566 -7.861 -19.288 13.156 1.00 0.00 H new ATOM 0 HD12 LEU A 566 -9.056 -20.517 12.677 1.00 0.00 H new ATOM 0 HD13 LEU A 566 -8.781 -20.167 14.401 1.00 0.00 H new ATOM 0 HD21 LEU A 566 -5.673 -19.956 14.134 1.00 0.00 H new ATOM 0 HD22 LEU A 566 -6.434 -20.892 15.442 1.00 0.00 H new ATOM 0 HD23 LEU A 566 -5.263 -21.674 14.354 1.00 0.00 H new ATOM 269 N LYS A 567 -8.135 -25.953 13.255 1.00 0.00 N ATOM 270 CA LYS A 567 -8.842 -27.211 13.558 1.00 0.00 C ATOM 271 C LYS A 567 -7.954 -28.423 13.215 1.00 0.00 C ATOM 272 O LYS A 567 -8.065 -29.474 13.852 1.00 0.00 O ATOM 273 CB LYS A 567 -10.168 -27.242 12.747 1.00 0.00 C ATOM 274 CG LYS A 567 -11.041 -25.980 12.961 1.00 0.00 C ATOM 275 CD LYS A 567 -12.215 -25.871 11.964 1.00 0.00 C ATOM 276 CE LYS A 567 -12.976 -24.539 12.101 1.00 0.00 C ATOM 277 NZ LYS A 567 -14.073 -24.418 11.111 1.00 0.00 N ATOM 0 H LYS A 567 -8.207 -25.681 12.275 1.00 0.00 H new ATOM 0 HA LYS A 567 -9.069 -27.263 14.623 1.00 0.00 H new ATOM 0 HB2 LYS A 567 -9.936 -27.340 11.687 1.00 0.00 H new ATOM 0 HB3 LYS A 567 -10.740 -28.125 13.031 1.00 0.00 H new ATOM 0 HG2 LYS A 567 -11.436 -25.988 13.977 1.00 0.00 H new ATOM 0 HG3 LYS A 567 -10.413 -25.093 12.870 1.00 0.00 H new ATOM 0 HD2 LYS A 567 -11.835 -25.967 10.947 1.00 0.00 H new ATOM 0 HD3 LYS A 567 -12.905 -26.699 12.126 1.00 0.00 H new ATOM 0 HE2 LYS A 567 -13.386 -24.459 13.108 1.00 0.00 H new ATOM 0 HE3 LYS A 567 -12.280 -23.710 11.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 567 -14.558 -23.507 11.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 567 -13.680 -24.468 10.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 567 -14.752 -25.194 11.249 1.00 0.00 H new ATOM 291 N THR A 568 -7.072 -28.258 12.202 1.00 0.00 N ATOM 292 CA THR A 568 -6.104 -29.289 11.784 1.00 0.00 C ATOM 293 C THR A 568 -5.040 -29.451 12.879 1.00 0.00 C ATOM 294 O THR A 568 -4.741 -30.566 13.320 1.00 0.00 O ATOM 295 CB THR A 568 -5.416 -28.928 10.418 1.00 0.00 C ATOM 296 OG1 THR A 568 -6.410 -28.610 9.437 1.00 0.00 O ATOM 297 CG2 THR A 568 -4.546 -30.079 9.878 1.00 0.00 C ATOM 0 H THR A 568 -7.015 -27.401 11.652 1.00 0.00 H new ATOM 0 HA THR A 568 -6.643 -30.225 11.639 1.00 0.00 H new ATOM 0 HB THR A 568 -4.771 -28.070 10.607 1.00 0.00 H new ATOM 0 HG1 THR A 568 -6.888 -27.798 9.707 1.00 0.00 H new ATOM 0 HG21 THR A 568 -4.093 -29.780 8.933 1.00 0.00 H new ATOM 0 HG22 THR A 568 -3.762 -30.312 10.599 1.00 0.00 H new ATOM 0 HG23 THR A 568 -5.167 -30.961 9.720 1.00 0.00 H new ATOM 305 N TYR A 569 -4.493 -28.306 13.320 1.00 0.00 N ATOM 306 CA TYR A 569 -3.524 -28.228 14.422 1.00 0.00 C ATOM 307 C TYR A 569 -4.263 -27.624 15.637 1.00 0.00 C ATOM 308 O TYR A 569 -4.507 -26.409 15.649 1.00 0.00 O ATOM 309 CB TYR A 569 -2.286 -27.346 14.031 1.00 0.00 C ATOM 310 CG TYR A 569 -1.888 -27.429 12.544 1.00 0.00 C ATOM 311 CD1 TYR A 569 -1.473 -28.630 11.969 1.00 0.00 C ATOM 312 CD2 TYR A 569 -1.968 -26.310 11.711 1.00 0.00 C ATOM 313 CE1 TYR A 569 -1.146 -28.707 10.627 1.00 0.00 C ATOM 314 CE2 TYR A 569 -1.650 -26.387 10.369 1.00 0.00 C ATOM 315 CZ TYR A 569 -1.239 -27.586 9.833 1.00 0.00 C ATOM 316 OH TYR A 569 -0.922 -27.663 8.493 1.00 0.00 O ATOM 0 H TYR A 569 -4.716 -27.397 12.914 1.00 0.00 H new ATOM 0 HA TYR A 569 -3.139 -29.220 14.657 1.00 0.00 H new ATOM 0 HB2 TYR A 569 -2.503 -26.307 14.279 1.00 0.00 H new ATOM 0 HB3 TYR A 569 -1.434 -27.648 14.640 1.00 0.00 H new ATOM 0 HD1 TYR A 569 -1.406 -29.516 12.583 1.00 0.00 H new ATOM 0 HD2 TYR A 569 -2.285 -25.364 12.125 1.00 0.00 H new ATOM 0 HE1 TYR A 569 -0.818 -29.645 10.203 1.00 0.00 H new ATOM 0 HE2 TYR A 569 -1.724 -25.510 9.743 1.00 0.00 H new ATOM 0 HH TYR A 569 -1.116 -28.565 8.162 1.00 0.00 H new ATOM 326 N PRO A 570 -4.705 -28.465 16.634 1.00 0.00 N ATOM 327 CA PRO A 570 -5.347 -27.966 17.883 1.00 0.00 C ATOM 328 C PRO A 570 -4.452 -27.003 18.694 1.00 0.00 C ATOM 329 O PRO A 570 -3.240 -26.902 18.451 1.00 0.00 O ATOM 330 CB PRO A 570 -5.636 -29.268 18.681 1.00 0.00 C ATOM 331 CG PRO A 570 -5.713 -30.340 17.636 1.00 0.00 C ATOM 332 CD PRO A 570 -4.675 -29.958 16.607 1.00 0.00 C ATOM 0 HA PRO A 570 -6.236 -27.374 17.667 1.00 0.00 H new ATOM 0 HB2 PRO A 570 -4.846 -29.474 19.404 1.00 0.00 H new ATOM 0 HB3 PRO A 570 -6.568 -29.192 19.241 1.00 0.00 H new ATOM 0 HG2 PRO A 570 -5.504 -31.322 18.061 1.00 0.00 H new ATOM 0 HG3 PRO A 570 -6.708 -30.389 17.194 1.00 0.00 H new ATOM 0 HD2 PRO A 570 -3.690 -30.346 16.865 1.00 0.00 H new ATOM 0 HD3 PRO A 570 -4.923 -30.348 15.620 1.00 0.00 H new ATOM 340 N VAL A 571 -5.071 -26.313 19.672 1.00 0.00 N ATOM 341 CA VAL A 571 -4.385 -25.356 20.569 1.00 0.00 C ATOM 342 C VAL A 571 -3.200 -26.002 21.328 1.00 0.00 C ATOM 343 O VAL A 571 -2.152 -25.376 21.513 1.00 0.00 O ATOM 344 CB VAL A 571 -5.406 -24.703 21.588 1.00 0.00 C ATOM 345 CG1 VAL A 571 -6.179 -25.779 22.407 1.00 0.00 C ATOM 346 CG2 VAL A 571 -4.700 -23.679 22.521 1.00 0.00 C ATOM 0 H VAL A 571 -6.069 -26.403 19.865 1.00 0.00 H new ATOM 0 HA VAL A 571 -3.972 -24.572 19.934 1.00 0.00 H new ATOM 0 HB VAL A 571 -6.143 -24.159 20.998 1.00 0.00 H new ATOM 0 HG11 VAL A 571 -6.868 -25.288 23.094 1.00 0.00 H new ATOM 0 HG12 VAL A 571 -6.740 -26.421 21.727 1.00 0.00 H new ATOM 0 HG13 VAL A 571 -5.471 -26.383 22.974 1.00 0.00 H new ATOM 0 HG21 VAL A 571 -5.429 -23.250 23.208 1.00 0.00 H new ATOM 0 HG22 VAL A 571 -3.919 -24.183 23.090 1.00 0.00 H new ATOM 0 HG23 VAL A 571 -4.256 -22.885 21.920 1.00 0.00 H new ATOM 356 N ASN A 572 -3.372 -27.282 21.700 1.00 0.00 N ATOM 357 CA ASN A 572 -2.396 -28.042 22.512 1.00 0.00 C ATOM 358 C ASN A 572 -1.124 -28.402 21.710 1.00 0.00 C ATOM 359 O ASN A 572 -0.106 -28.759 22.305 1.00 0.00 O ATOM 360 CB ASN A 572 -3.068 -29.328 23.072 1.00 0.00 C ATOM 361 CG ASN A 572 -4.342 -29.049 23.877 1.00 0.00 C ATOM 362 OD1 ASN A 572 -4.472 -28.018 24.532 1.00 0.00 O ATOM 363 ND2 ASN A 572 -5.300 -29.957 23.816 1.00 0.00 N ATOM 0 H ASN A 572 -4.197 -27.825 21.446 1.00 0.00 H new ATOM 0 HA ASN A 572 -2.082 -27.404 23.338 1.00 0.00 H new ATOM 0 HB2 ASN A 572 -3.310 -29.993 22.243 1.00 0.00 H new ATOM 0 HB3 ASN A 572 -2.355 -29.855 23.706 1.00 0.00 H new ATOM 0 HD21 ASN A 572 -6.174 -29.811 24.321 1.00 0.00 H new ATOM 0 HD22 ASN A 572 -5.165 -30.804 23.264 1.00 0.00 H new ATOM 370 N THR A 573 -1.207 -28.318 20.365 1.00 0.00 N ATOM 371 CA THR A 573 -0.070 -28.592 19.465 1.00 0.00 C ATOM 372 C THR A 573 1.030 -27.524 19.670 1.00 0.00 C ATOM 373 O THR A 573 0.763 -26.333 19.456 1.00 0.00 O ATOM 374 CB THR A 573 -0.526 -28.605 17.964 1.00 0.00 C ATOM 375 OG1 THR A 573 -1.672 -29.455 17.822 1.00 0.00 O ATOM 376 CG2 THR A 573 0.599 -29.083 17.016 1.00 0.00 C ATOM 0 H THR A 573 -2.063 -28.059 19.875 1.00 0.00 H new ATOM 0 HA THR A 573 0.327 -29.577 19.708 1.00 0.00 H new ATOM 0 HB THR A 573 -0.776 -27.582 17.684 1.00 0.00 H new ATOM 0 HG1 THR A 573 -2.487 -28.936 17.988 1.00 0.00 H new ATOM 0 HG21 THR A 573 0.236 -29.075 15.988 1.00 0.00 H new ATOM 0 HG22 THR A 573 1.456 -28.416 17.103 1.00 0.00 H new ATOM 0 HG23 THR A 573 0.898 -30.095 17.288 1.00 0.00 H new ATOM 384 N PRO A 574 2.277 -27.919 20.120 1.00 0.00 N ATOM 385 CA PRO A 574 3.407 -26.969 20.309 1.00 0.00 C ATOM 386 C PRO A 574 3.827 -26.273 18.993 1.00 0.00 C ATOM 387 O PRO A 574 4.369 -25.163 19.004 1.00 0.00 O ATOM 388 CB PRO A 574 4.551 -27.866 20.872 1.00 0.00 C ATOM 389 CG PRO A 574 3.846 -29.058 21.442 1.00 0.00 C ATOM 390 CD PRO A 574 2.675 -29.305 20.519 1.00 0.00 C ATOM 0 HA PRO A 574 3.142 -26.146 20.973 1.00 0.00 H new ATOM 0 HB2 PRO A 574 5.251 -28.156 20.088 1.00 0.00 H new ATOM 0 HB3 PRO A 574 5.127 -27.343 21.635 1.00 0.00 H new ATOM 0 HG2 PRO A 574 4.506 -29.924 21.481 1.00 0.00 H new ATOM 0 HG3 PRO A 574 3.510 -28.867 22.461 1.00 0.00 H new ATOM 0 HD2 PRO A 574 2.958 -29.909 19.657 1.00 0.00 H new ATOM 0 HD3 PRO A 574 1.864 -29.830 21.024 1.00 0.00 H new ATOM 398 N GLU A 575 3.563 -26.959 17.866 1.00 0.00 N ATOM 399 CA GLU A 575 3.852 -26.457 16.514 1.00 0.00 C ATOM 400 C GLU A 575 2.585 -25.913 15.828 1.00 0.00 C ATOM 401 O GLU A 575 2.566 -25.859 14.596 1.00 0.00 O ATOM 402 CB GLU A 575 4.449 -27.598 15.634 1.00 0.00 C ATOM 403 CG GLU A 575 5.836 -28.110 16.045 1.00 0.00 C ATOM 404 CD GLU A 575 6.359 -29.199 15.093 1.00 0.00 C ATOM 405 OE1 GLU A 575 6.913 -28.852 14.023 1.00 0.00 O ATOM 406 OE2 GLU A 575 6.185 -30.401 15.387 1.00 0.00 O ATOM 0 H GLU A 575 3.139 -27.887 17.871 1.00 0.00 H new ATOM 0 HA GLU A 575 4.571 -25.644 16.616 1.00 0.00 H new ATOM 0 HB2 GLU A 575 3.755 -28.439 15.645 1.00 0.00 H new ATOM 0 HB3 GLU A 575 4.505 -27.244 14.605 1.00 0.00 H new ATOM 0 HG2 GLU A 575 6.539 -27.277 16.062 1.00 0.00 H new ATOM 0 HG3 GLU A 575 5.789 -28.508 17.059 1.00 0.00 H new ATOM 413 N ARG A 576 1.543 -25.490 16.601 1.00 0.00 N ATOM 414 CA ARG A 576 0.245 -25.057 16.003 1.00 0.00 C ATOM 415 C ARG A 576 0.484 -23.966 14.945 1.00 0.00 C ATOM 416 O ARG A 576 0.260 -24.178 13.753 1.00 0.00 O ATOM 417 CB ARG A 576 -0.766 -24.511 17.062 1.00 0.00 C ATOM 418 CG ARG A 576 -2.180 -24.243 16.468 1.00 0.00 C ATOM 419 CD ARG A 576 -3.131 -23.483 17.408 1.00 0.00 C ATOM 420 NE ARG A 576 -4.545 -23.599 16.974 1.00 0.00 N ATOM 421 CZ ARG A 576 -5.603 -23.179 17.678 1.00 0.00 C ATOM 422 NH1 ARG A 576 -5.452 -22.554 18.836 1.00 0.00 N ATOM 423 NH2 ARG A 576 -6.823 -23.393 17.229 1.00 0.00 N ATOM 0 H ARG A 576 1.574 -25.440 17.619 1.00 0.00 H new ATOM 0 HA ARG A 576 -0.192 -25.947 15.551 1.00 0.00 H new ATOM 0 HB2 ARG A 576 -0.851 -25.227 17.879 1.00 0.00 H new ATOM 0 HB3 ARG A 576 -0.375 -23.587 17.487 1.00 0.00 H new ATOM 0 HG2 ARG A 576 -2.071 -23.675 15.544 1.00 0.00 H new ATOM 0 HG3 ARG A 576 -2.636 -25.197 16.203 1.00 0.00 H new ATOM 0 HD2 ARG A 576 -3.029 -23.873 18.421 1.00 0.00 H new ATOM 0 HD3 ARG A 576 -2.846 -22.431 17.441 1.00 0.00 H new ATOM 0 HE ARG A 576 -4.725 -24.033 16.068 1.00 0.00 H new ATOM 0 HH11 ARG A 576 -4.517 -22.385 19.206 1.00 0.00 H new ATOM 0 HH12 ARG A 576 -6.271 -22.242 19.358 1.00 0.00 H new ATOM 0 HH21 ARG A 576 -6.962 -23.880 16.343 1.00 0.00 H new ATOM 0 HH22 ARG A 576 -7.628 -23.072 17.767 1.00 0.00 H new ATOM 437 N TRP A 577 1.054 -22.853 15.409 1.00 0.00 N ATOM 438 CA TRP A 577 1.270 -21.641 14.609 1.00 0.00 C ATOM 439 C TRP A 577 2.457 -21.802 13.647 1.00 0.00 C ATOM 440 O TRP A 577 2.474 -21.194 12.579 1.00 0.00 O ATOM 441 CB TRP A 577 1.452 -20.437 15.561 1.00 0.00 C ATOM 442 CG TRP A 577 0.265 -20.265 16.477 1.00 0.00 C ATOM 443 CD1 TRP A 577 0.163 -20.658 17.786 1.00 0.00 C ATOM 444 CD2 TRP A 577 -1.009 -19.715 16.127 1.00 0.00 C ATOM 445 NE1 TRP A 577 -1.084 -20.369 18.267 1.00 0.00 N ATOM 446 CE2 TRP A 577 -1.824 -19.796 17.268 1.00 0.00 C ATOM 447 CE3 TRP A 577 -1.535 -19.152 14.961 1.00 0.00 C ATOM 448 CZ2 TRP A 577 -3.133 -19.344 17.280 1.00 0.00 C ATOM 449 CZ3 TRP A 577 -2.842 -18.713 14.970 1.00 0.00 C ATOM 450 CH2 TRP A 577 -3.626 -18.810 16.126 1.00 0.00 C ATOM 0 H TRP A 577 1.386 -22.764 16.369 1.00 0.00 H new ATOM 0 HA TRP A 577 0.397 -21.463 13.981 1.00 0.00 H new ATOM 0 HB2 TRP A 577 2.354 -20.577 16.157 1.00 0.00 H new ATOM 0 HB3 TRP A 577 1.595 -19.529 14.976 1.00 0.00 H new ATOM 0 HD1 TRP A 577 0.952 -21.127 18.355 1.00 0.00 H new ATOM 0 HE1 TRP A 577 -1.410 -20.551 19.216 1.00 0.00 H new ATOM 0 HE3 TRP A 577 -0.930 -19.063 14.071 1.00 0.00 H new ATOM 0 HZ2 TRP A 577 -3.741 -19.412 18.170 1.00 0.00 H new ATOM 0 HZ3 TRP A 577 -3.267 -18.288 14.073 1.00 0.00 H new ATOM 0 HH2 TRP A 577 -4.645 -18.454 16.103 1.00 0.00 H new ATOM 461 N LYS A 578 3.431 -22.639 14.032 1.00 0.00 N ATOM 462 CA LYS A 578 4.569 -23.003 13.161 1.00 0.00 C ATOM 463 C LYS A 578 4.082 -23.682 11.860 1.00 0.00 C ATOM 464 O LYS A 578 4.599 -23.416 10.768 1.00 0.00 O ATOM 465 CB LYS A 578 5.529 -23.947 13.929 1.00 0.00 C ATOM 466 CG LYS A 578 6.192 -23.320 15.178 1.00 0.00 C ATOM 467 CD LYS A 578 7.122 -22.118 14.856 1.00 0.00 C ATOM 468 CE LYS A 578 8.446 -22.512 14.155 1.00 0.00 C ATOM 469 NZ LYS A 578 8.274 -23.022 12.770 1.00 0.00 N ATOM 0 H LYS A 578 3.457 -23.083 14.950 1.00 0.00 H new ATOM 0 HA LYS A 578 5.098 -22.091 12.884 1.00 0.00 H new ATOM 0 HB2 LYS A 578 4.975 -24.835 14.236 1.00 0.00 H new ATOM 0 HB3 LYS A 578 6.312 -24.279 13.247 1.00 0.00 H new ATOM 0 HG2 LYS A 578 5.413 -22.991 15.865 1.00 0.00 H new ATOM 0 HG3 LYS A 578 6.770 -24.086 15.695 1.00 0.00 H new ATOM 0 HD2 LYS A 578 6.583 -21.415 14.221 1.00 0.00 H new ATOM 0 HD3 LYS A 578 7.356 -21.595 15.783 1.00 0.00 H new ATOM 0 HE2 LYS A 578 9.104 -21.643 14.131 1.00 0.00 H new ATOM 0 HE3 LYS A 578 8.947 -23.275 14.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 578 9.043 -22.662 12.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 578 8.299 -24.062 12.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 578 7.360 -22.700 12.393 1.00 0.00 H new ATOM 483 N LYS A 579 3.081 -24.562 12.006 1.00 0.00 N ATOM 484 CA LYS A 579 2.455 -25.276 10.885 1.00 0.00 C ATOM 485 C LYS A 579 1.401 -24.397 10.164 1.00 0.00 C ATOM 486 O LYS A 579 1.092 -24.640 8.995 1.00 0.00 O ATOM 487 CB LYS A 579 1.826 -26.588 11.401 1.00 0.00 C ATOM 488 CG LYS A 579 2.840 -27.616 11.963 1.00 0.00 C ATOM 489 CD LYS A 579 2.144 -28.821 12.648 1.00 0.00 C ATOM 490 CE LYS A 579 3.121 -29.921 13.102 1.00 0.00 C ATOM 491 NZ LYS A 579 3.785 -30.585 11.952 1.00 0.00 N ATOM 0 H LYS A 579 2.680 -24.800 12.913 1.00 0.00 H new ATOM 0 HA LYS A 579 3.224 -25.512 10.150 1.00 0.00 H new ATOM 0 HB2 LYS A 579 1.104 -26.346 12.181 1.00 0.00 H new ATOM 0 HB3 LYS A 579 1.271 -27.054 10.587 1.00 0.00 H new ATOM 0 HG2 LYS A 579 3.473 -27.978 11.153 1.00 0.00 H new ATOM 0 HG3 LYS A 579 3.494 -27.122 12.681 1.00 0.00 H new ATOM 0 HD2 LYS A 579 1.585 -28.463 13.513 1.00 0.00 H new ATOM 0 HD3 LYS A 579 1.420 -29.253 11.957 1.00 0.00 H new ATOM 0 HE2 LYS A 579 3.877 -29.487 13.756 1.00 0.00 H new ATOM 0 HE3 LYS A 579 2.582 -30.665 13.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 579 4.342 -31.395 12.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 579 3.064 -30.919 11.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 579 4.414 -29.908 11.476 1.00 0.00 H new ATOM 505 N ILE A 580 0.829 -23.402 10.883 1.00 0.00 N ATOM 506 CA ILE A 580 -0.103 -22.394 10.289 1.00 0.00 C ATOM 507 C ILE A 580 0.682 -21.405 9.393 1.00 0.00 C ATOM 508 O ILE A 580 0.131 -20.820 8.466 1.00 0.00 O ATOM 509 CB ILE A 580 -0.952 -21.648 11.409 1.00 0.00 C ATOM 510 CG1 ILE A 580 -1.901 -22.668 12.121 1.00 0.00 C ATOM 511 CG2 ILE A 580 -1.773 -20.453 10.849 1.00 0.00 C ATOM 512 CD1 ILE A 580 -2.738 -22.114 13.260 1.00 0.00 C ATOM 0 H ILE A 580 0.993 -23.270 11.881 1.00 0.00 H new ATOM 0 HA ILE A 580 -0.822 -22.917 9.659 1.00 0.00 H new ATOM 0 HB ILE A 580 -0.244 -21.233 12.126 1.00 0.00 H new ATOM 0 HG12 ILE A 580 -2.573 -23.091 11.374 1.00 0.00 H new ATOM 0 HG13 ILE A 580 -1.296 -23.489 12.507 1.00 0.00 H new ATOM 0 HG21 ILE A 580 -2.331 -19.984 11.659 1.00 0.00 H new ATOM 0 HG22 ILE A 580 -1.096 -19.723 10.404 1.00 0.00 H new ATOM 0 HG23 ILE A 580 -2.468 -20.813 10.090 1.00 0.00 H new ATOM 0 HD11 ILE A 580 -3.356 -22.909 13.678 1.00 0.00 H new ATOM 0 HD12 ILE A 580 -2.081 -21.719 14.035 1.00 0.00 H new ATOM 0 HD13 ILE A 580 -3.378 -21.315 12.886 1.00 0.00 H new ATOM 524 N ALA A 581 1.976 -21.217 9.699 1.00 0.00 N ATOM 525 CA ALA A 581 2.933 -20.520 8.798 1.00 0.00 C ATOM 526 C ALA A 581 3.040 -21.226 7.431 1.00 0.00 C ATOM 527 O ALA A 581 3.150 -20.568 6.391 1.00 0.00 O ATOM 528 CB ALA A 581 4.317 -20.391 9.472 1.00 0.00 C ATOM 0 H ALA A 581 2.395 -21.539 10.571 1.00 0.00 H new ATOM 0 HA ALA A 581 2.550 -19.517 8.613 1.00 0.00 H new ATOM 0 HB1 ALA A 581 5.004 -19.879 8.798 1.00 0.00 H new ATOM 0 HB2 ALA A 581 4.220 -19.819 10.395 1.00 0.00 H new ATOM 0 HB3 ALA A 581 4.705 -21.384 9.699 1.00 0.00 H new ATOM 534 N GLU A 582 2.973 -22.562 7.462 1.00 0.00 N ATOM 535 CA GLU A 582 3.050 -23.405 6.262 1.00 0.00 C ATOM 536 C GLU A 582 1.686 -23.453 5.538 1.00 0.00 C ATOM 537 O GLU A 582 1.629 -23.470 4.303 1.00 0.00 O ATOM 538 CB GLU A 582 3.504 -24.832 6.663 1.00 0.00 C ATOM 539 CG GLU A 582 4.812 -24.865 7.480 1.00 0.00 C ATOM 540 CD GLU A 582 5.283 -26.290 7.807 1.00 0.00 C ATOM 541 OE1 GLU A 582 5.861 -26.948 6.910 1.00 0.00 O ATOM 542 OE2 GLU A 582 5.083 -26.762 8.950 1.00 0.00 O ATOM 0 H GLU A 582 2.863 -23.093 8.326 1.00 0.00 H new ATOM 0 HA GLU A 582 3.779 -22.977 5.573 1.00 0.00 H new ATOM 0 HB2 GLU A 582 2.712 -25.305 7.244 1.00 0.00 H new ATOM 0 HB3 GLU A 582 3.636 -25.428 5.760 1.00 0.00 H new ATOM 0 HG2 GLU A 582 5.594 -24.349 6.923 1.00 0.00 H new ATOM 0 HG3 GLU A 582 4.667 -24.315 8.410 1.00 0.00 H new ATOM 549 N ALA A 583 0.602 -23.468 6.334 1.00 0.00 N ATOM 550 CA ALA A 583 -0.780 -23.611 5.833 1.00 0.00 C ATOM 551 C ALA A 583 -1.349 -22.276 5.298 1.00 0.00 C ATOM 552 O ALA A 583 -2.187 -22.277 4.395 1.00 0.00 O ATOM 553 CB ALA A 583 -1.680 -24.184 6.943 1.00 0.00 C ATOM 0 H ALA A 583 0.659 -23.381 7.349 1.00 0.00 H new ATOM 0 HA ALA A 583 -0.760 -24.304 4.991 1.00 0.00 H new ATOM 0 HB1 ALA A 583 -2.698 -24.288 6.568 1.00 0.00 H new ATOM 0 HB2 ALA A 583 -1.304 -25.161 7.248 1.00 0.00 H new ATOM 0 HB3 ALA A 583 -1.675 -23.510 7.800 1.00 0.00 H new ATOM 559 N VAL A 584 -0.882 -21.147 5.866 1.00 0.00 N ATOM 560 CA VAL A 584 -1.323 -19.780 5.496 1.00 0.00 C ATOM 561 C VAL A 584 -0.083 -18.985 5.017 1.00 0.00 C ATOM 562 O VAL A 584 0.622 -18.375 5.839 1.00 0.00 O ATOM 563 CB VAL A 584 -2.014 -19.023 6.702 1.00 0.00 C ATOM 564 CG1 VAL A 584 -2.618 -17.667 6.254 1.00 0.00 C ATOM 565 CG2 VAL A 584 -3.086 -19.906 7.376 1.00 0.00 C ATOM 0 H VAL A 584 -0.179 -21.155 6.605 1.00 0.00 H new ATOM 0 HA VAL A 584 -2.068 -19.859 4.705 1.00 0.00 H new ATOM 0 HB VAL A 584 -1.238 -18.812 7.438 1.00 0.00 H new ATOM 0 HG11 VAL A 584 -3.084 -17.176 7.109 1.00 0.00 H new ATOM 0 HG12 VAL A 584 -1.828 -17.030 5.856 1.00 0.00 H new ATOM 0 HG13 VAL A 584 -3.368 -17.840 5.482 1.00 0.00 H new ATOM 0 HG21 VAL A 584 -3.543 -19.358 8.200 1.00 0.00 H new ATOM 0 HG22 VAL A 584 -3.852 -20.169 6.647 1.00 0.00 H new ATOM 0 HG23 VAL A 584 -2.621 -20.815 7.758 1.00 0.00 H new ATOM 575 N PRO A 585 0.259 -19.057 3.689 1.00 0.00 N ATOM 576 CA PRO A 585 1.430 -18.367 3.125 1.00 0.00 C ATOM 577 C PRO A 585 1.152 -16.881 2.778 1.00 0.00 C ATOM 578 O PRO A 585 0.442 -16.570 1.813 1.00 0.00 O ATOM 579 CB PRO A 585 1.762 -19.225 1.878 1.00 0.00 C ATOM 580 CG PRO A 585 0.442 -19.780 1.421 1.00 0.00 C ATOM 581 CD PRO A 585 -0.462 -19.836 2.644 1.00 0.00 C ATOM 0 HA PRO A 585 2.260 -18.297 3.829 1.00 0.00 H new ATOM 0 HB2 PRO A 585 2.228 -18.623 1.098 1.00 0.00 H new ATOM 0 HB3 PRO A 585 2.461 -20.024 2.124 1.00 0.00 H new ATOM 0 HG2 PRO A 585 0.005 -19.149 0.647 1.00 0.00 H new ATOM 0 HG3 PRO A 585 0.569 -20.773 0.989 1.00 0.00 H new ATOM 0 HD2 PRO A 585 -1.440 -19.403 2.433 1.00 0.00 H new ATOM 0 HD3 PRO A 585 -0.631 -20.864 2.964 1.00 0.00 H new ATOM 589 N GLY A 586 1.775 -15.967 3.555 1.00 0.00 N ATOM 590 CA GLY A 586 1.661 -14.513 3.334 1.00 0.00 C ATOM 591 C GLY A 586 1.166 -13.714 4.546 1.00 0.00 C ATOM 592 O GLY A 586 1.545 -12.543 4.691 1.00 0.00 O ATOM 0 H GLY A 586 2.367 -16.217 4.347 1.00 0.00 H new ATOM 0 HA2 GLY A 586 2.636 -14.128 3.036 1.00 0.00 H new ATOM 0 HA3 GLY A 586 0.981 -14.339 2.500 1.00 0.00 H new ATOM 596 N ARG A 587 0.307 -14.301 5.401 1.00 0.00 N ATOM 597 CA ARG A 587 -0.060 -13.677 6.704 1.00 0.00 C ATOM 598 C ARG A 587 0.892 -14.152 7.794 1.00 0.00 C ATOM 599 O ARG A 587 1.360 -15.297 7.777 1.00 0.00 O ATOM 600 CB ARG A 587 -1.527 -13.972 7.118 1.00 0.00 C ATOM 601 CG ARG A 587 -2.572 -13.558 6.066 1.00 0.00 C ATOM 602 CD ARG A 587 -2.528 -12.052 5.737 1.00 0.00 C ATOM 603 NE ARG A 587 -3.169 -11.209 6.756 1.00 0.00 N ATOM 604 CZ ARG A 587 -3.170 -9.870 6.763 1.00 0.00 C ATOM 605 NH1 ARG A 587 -2.625 -9.183 5.774 1.00 0.00 N ATOM 606 NH2 ARG A 587 -3.711 -9.224 7.783 1.00 0.00 N ATOM 0 H ARG A 587 -0.146 -15.197 5.223 1.00 0.00 H new ATOM 0 HA ARG A 587 0.026 -12.598 6.577 1.00 0.00 H new ATOM 0 HB2 ARG A 587 -1.630 -15.039 7.316 1.00 0.00 H new ATOM 0 HB3 ARG A 587 -1.741 -13.452 8.052 1.00 0.00 H new ATOM 0 HG2 ARG A 587 -2.407 -14.129 5.153 1.00 0.00 H new ATOM 0 HG3 ARG A 587 -3.567 -13.817 6.428 1.00 0.00 H new ATOM 0 HD2 ARG A 587 -1.489 -11.744 5.623 1.00 0.00 H new ATOM 0 HD3 ARG A 587 -3.017 -11.884 4.778 1.00 0.00 H new ATOM 0 HE ARG A 587 -3.652 -11.682 7.520 1.00 0.00 H new ATOM 0 HH11 ARG A 587 -2.195 -9.673 4.989 1.00 0.00 H new ATOM 0 HH12 ARG A 587 -2.635 -8.163 5.795 1.00 0.00 H new ATOM 0 HH21 ARG A 587 -4.123 -9.746 8.556 1.00 0.00 H new ATOM 0 HH22 ARG A 587 -3.716 -8.204 7.796 1.00 0.00 H new ATOM 620 N THR A 588 1.162 -13.252 8.734 1.00 0.00 N ATOM 621 CA THR A 588 2.055 -13.520 9.883 1.00 0.00 C ATOM 622 C THR A 588 1.261 -14.146 11.043 1.00 0.00 C ATOM 623 O THR A 588 0.039 -14.037 11.092 1.00 0.00 O ATOM 624 CB THR A 588 2.778 -12.208 10.334 1.00 0.00 C ATOM 625 OG1 THR A 588 1.813 -11.156 10.509 1.00 0.00 O ATOM 626 CG2 THR A 588 3.855 -11.752 9.322 1.00 0.00 C ATOM 0 H THR A 588 0.772 -12.310 8.731 1.00 0.00 H new ATOM 0 HA THR A 588 2.820 -14.233 9.574 1.00 0.00 H new ATOM 0 HB THR A 588 3.280 -12.424 11.277 1.00 0.00 H new ATOM 0 HG1 THR A 588 2.266 -10.288 10.476 1.00 0.00 H new ATOM 0 HG21 THR A 588 4.327 -10.838 9.681 1.00 0.00 H new ATOM 0 HG22 THR A 588 4.609 -12.532 9.216 1.00 0.00 H new ATOM 0 HG23 THR A 588 3.389 -11.564 8.355 1.00 0.00 H new ATOM 634 N LYS A 589 1.956 -14.838 11.957 1.00 0.00 N ATOM 635 CA LYS A 589 1.300 -15.607 13.040 1.00 0.00 C ATOM 636 C LYS A 589 0.788 -14.718 14.168 1.00 0.00 C ATOM 637 O LYS A 589 -0.214 -15.058 14.777 1.00 0.00 O ATOM 638 CB LYS A 589 2.224 -16.737 13.552 1.00 0.00 C ATOM 639 CG LYS A 589 2.126 -18.074 12.756 1.00 0.00 C ATOM 640 CD LYS A 589 2.234 -17.936 11.204 1.00 0.00 C ATOM 641 CE LYS A 589 0.869 -17.824 10.472 1.00 0.00 C ATOM 642 NZ LYS A 589 1.010 -17.735 8.992 1.00 0.00 N ATOM 0 H LYS A 589 2.975 -14.885 11.973 1.00 0.00 H new ATOM 0 HA LYS A 589 0.413 -16.075 12.612 1.00 0.00 H new ATOM 0 HB2 LYS A 589 3.255 -16.386 13.520 1.00 0.00 H new ATOM 0 HB3 LYS A 589 1.987 -16.935 14.597 1.00 0.00 H new ATOM 0 HG2 LYS A 589 2.916 -18.742 13.101 1.00 0.00 H new ATOM 0 HG3 LYS A 589 1.177 -18.552 12.997 1.00 0.00 H new ATOM 0 HD2 LYS A 589 2.831 -17.054 10.971 1.00 0.00 H new ATOM 0 HD3 LYS A 589 2.773 -18.798 10.812 1.00 0.00 H new ATOM 0 HE2 LYS A 589 0.256 -18.690 10.722 1.00 0.00 H new ATOM 0 HE3 LYS A 589 0.339 -16.943 10.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 589 0.581 -16.850 8.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 589 2.018 -17.749 8.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 589 0.530 -18.544 8.548 1.00 0.00 H new ATOM 656 N LYS A 590 1.467 -13.584 14.443 1.00 0.00 N ATOM 657 CA LYS A 590 0.943 -12.558 15.383 1.00 0.00 C ATOM 658 C LYS A 590 -0.400 -11.979 14.864 1.00 0.00 C ATOM 659 O LYS A 590 -1.299 -11.629 15.643 1.00 0.00 O ATOM 660 CB LYS A 590 2.014 -11.440 15.666 1.00 0.00 C ATOM 661 CG LYS A 590 2.805 -10.889 14.438 1.00 0.00 C ATOM 662 CD LYS A 590 1.990 -9.976 13.486 1.00 0.00 C ATOM 663 CE LYS A 590 1.527 -8.652 14.122 1.00 0.00 C ATOM 664 NZ LYS A 590 2.668 -7.742 14.403 1.00 0.00 N ATOM 0 H LYS A 590 2.372 -13.353 14.034 1.00 0.00 H new ATOM 0 HA LYS A 590 0.739 -13.037 16.341 1.00 0.00 H new ATOM 0 HB2 LYS A 590 1.510 -10.602 16.148 1.00 0.00 H new ATOM 0 HB3 LYS A 590 2.734 -11.834 16.383 1.00 0.00 H new ATOM 0 HG2 LYS A 590 3.667 -10.330 14.802 1.00 0.00 H new ATOM 0 HG3 LYS A 590 3.190 -11.733 13.865 1.00 0.00 H new ATOM 0 HD2 LYS A 590 2.597 -9.752 12.609 1.00 0.00 H new ATOM 0 HD3 LYS A 590 1.115 -10.524 13.137 1.00 0.00 H new ATOM 0 HE2 LYS A 590 0.823 -8.155 13.454 1.00 0.00 H new ATOM 0 HE3 LYS A 590 0.993 -8.862 15.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 590 2.314 -6.863 14.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 590 3.328 -8.205 15.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 590 3.162 -7.521 13.515 1.00 0.00 H new ATOM 678 N ASP A 591 -0.506 -11.940 13.528 1.00 0.00 N ATOM 679 CA ASP A 591 -1.697 -11.493 12.796 1.00 0.00 C ATOM 680 C ASP A 591 -2.784 -12.589 12.833 1.00 0.00 C ATOM 681 O ASP A 591 -3.977 -12.304 12.974 1.00 0.00 O ATOM 682 CB ASP A 591 -1.293 -11.193 11.328 1.00 0.00 C ATOM 683 CG ASP A 591 -2.468 -10.844 10.420 1.00 0.00 C ATOM 684 OD1 ASP A 591 -3.214 -9.873 10.697 1.00 0.00 O ATOM 685 OD2 ASP A 591 -2.655 -11.552 9.432 1.00 0.00 O ATOM 0 H ASP A 591 0.255 -12.226 12.912 1.00 0.00 H new ATOM 0 HA ASP A 591 -2.100 -10.593 13.260 1.00 0.00 H new ATOM 0 HB2 ASP A 591 -0.582 -10.367 11.319 1.00 0.00 H new ATOM 0 HB3 ASP A 591 -0.777 -12.062 10.919 1.00 0.00 H new ATOM 690 N CYS A 592 -2.339 -13.852 12.703 1.00 0.00 N ATOM 691 CA CYS A 592 -3.220 -15.033 12.708 1.00 0.00 C ATOM 692 C CYS A 592 -3.781 -15.319 14.115 1.00 0.00 C ATOM 693 O CYS A 592 -4.859 -15.898 14.248 1.00 0.00 O ATOM 694 CB CYS A 592 -2.448 -16.251 12.170 1.00 0.00 C ATOM 695 SG CYS A 592 -1.921 -16.076 10.452 1.00 0.00 S ATOM 0 H CYS A 592 -1.352 -14.083 12.591 1.00 0.00 H new ATOM 0 HA CYS A 592 -4.072 -14.830 12.059 1.00 0.00 H new ATOM 0 HB2 CYS A 592 -1.571 -16.419 12.795 1.00 0.00 H new ATOM 0 HB3 CYS A 592 -3.077 -17.137 12.259 1.00 0.00 H new ATOM 0 HG CYS A 592 -0.957 -15.207 10.380 1.00 0.00 H new ATOM 701 N MET A 593 -3.026 -14.917 15.154 1.00 0.00 N ATOM 702 CA MET A 593 -3.464 -15.001 16.569 1.00 0.00 C ATOM 703 C MET A 593 -4.520 -13.920 16.847 1.00 0.00 C ATOM 704 O MET A 593 -5.468 -14.149 17.593 1.00 0.00 O ATOM 705 CB MET A 593 -2.254 -14.819 17.533 1.00 0.00 C ATOM 706 CG MET A 593 -1.224 -15.958 17.507 1.00 0.00 C ATOM 707 SD MET A 593 0.282 -15.543 18.425 1.00 0.00 S ATOM 708 CE MET A 593 1.484 -16.664 17.697 1.00 0.00 C ATOM 0 H MET A 593 -2.092 -14.523 15.041 1.00 0.00 H new ATOM 0 HA MET A 593 -3.896 -15.987 16.742 1.00 0.00 H new ATOM 0 HB2 MET A 593 -1.748 -13.886 17.284 1.00 0.00 H new ATOM 0 HB3 MET A 593 -2.632 -14.715 18.550 1.00 0.00 H new ATOM 0 HG2 MET A 593 -1.669 -16.858 17.932 1.00 0.00 H new ATOM 0 HG3 MET A 593 -0.965 -16.188 16.473 1.00 0.00 H new ATOM 0 HE1 MET A 593 2.269 -16.877 18.423 1.00 0.00 H new ATOM 0 HE2 MET A 593 0.990 -17.593 17.413 1.00 0.00 H new ATOM 0 HE3 MET A 593 1.923 -16.202 16.813 1.00 0.00 H new ATOM 718 N LYS A 594 -4.314 -12.744 16.225 1.00 0.00 N ATOM 719 CA LYS A 594 -5.238 -11.590 16.296 1.00 0.00 C ATOM 720 C LYS A 594 -6.581 -11.941 15.626 1.00 0.00 C ATOM 721 O LYS A 594 -7.646 -11.626 16.159 1.00 0.00 O ATOM 722 CB LYS A 594 -4.564 -10.339 15.632 1.00 0.00 C ATOM 723 CG LYS A 594 -5.325 -8.981 15.764 1.00 0.00 C ATOM 724 CD LYS A 594 -6.384 -8.729 14.657 1.00 0.00 C ATOM 725 CE LYS A 594 -7.072 -7.355 14.781 1.00 0.00 C ATOM 726 NZ LYS A 594 -8.055 -7.119 13.688 1.00 0.00 N ATOM 0 H LYS A 594 -3.491 -12.563 15.651 1.00 0.00 H new ATOM 0 HA LYS A 594 -5.448 -11.349 17.338 1.00 0.00 H new ATOM 0 HB2 LYS A 594 -3.571 -10.217 16.066 1.00 0.00 H new ATOM 0 HB3 LYS A 594 -4.425 -10.550 14.572 1.00 0.00 H new ATOM 0 HG2 LYS A 594 -5.818 -8.948 16.736 1.00 0.00 H new ATOM 0 HG3 LYS A 594 -4.599 -8.168 15.747 1.00 0.00 H new ATOM 0 HD2 LYS A 594 -5.905 -8.802 13.681 1.00 0.00 H new ATOM 0 HD3 LYS A 594 -7.140 -9.513 14.701 1.00 0.00 H new ATOM 0 HE2 LYS A 594 -7.579 -7.290 15.744 1.00 0.00 H new ATOM 0 HE3 LYS A 594 -6.317 -6.569 14.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 594 -7.967 -6.140 13.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 594 -7.867 -7.777 12.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 594 -9.018 -7.275 14.048 1.00 0.00 H new ATOM 740 N ARG A 595 -6.514 -12.611 14.461 1.00 0.00 N ATOM 741 CA ARG A 595 -7.720 -12.986 13.697 1.00 0.00 C ATOM 742 C ARG A 595 -8.436 -14.164 14.401 1.00 0.00 C ATOM 743 O ARG A 595 -9.655 -14.144 14.530 1.00 0.00 O ATOM 744 CB ARG A 595 -7.376 -13.316 12.202 1.00 0.00 C ATOM 745 CG ARG A 595 -8.423 -12.808 11.165 1.00 0.00 C ATOM 746 CD ARG A 595 -9.847 -13.340 11.400 1.00 0.00 C ATOM 747 NE ARG A 595 -10.853 -12.688 10.535 1.00 0.00 N ATOM 748 CZ ARG A 595 -12.062 -12.245 10.942 1.00 0.00 C ATOM 749 NH1 ARG A 595 -12.401 -12.303 12.227 1.00 0.00 N ATOM 750 NH2 ARG A 595 -12.919 -11.756 10.060 1.00 0.00 N ATOM 0 H ARG A 595 -5.638 -12.904 14.028 1.00 0.00 H new ATOM 0 HA ARG A 595 -8.401 -12.135 13.674 1.00 0.00 H new ATOM 0 HB2 ARG A 595 -6.406 -12.880 11.962 1.00 0.00 H new ATOM 0 HB3 ARG A 595 -7.275 -14.396 12.097 1.00 0.00 H new ATOM 0 HG2 ARG A 595 -8.445 -11.719 11.190 1.00 0.00 H new ATOM 0 HG3 ARG A 595 -8.099 -13.097 10.165 1.00 0.00 H new ATOM 0 HD2 ARG A 595 -9.862 -14.415 11.220 1.00 0.00 H new ATOM 0 HD3 ARG A 595 -10.119 -13.187 12.444 1.00 0.00 H new ATOM 0 HE ARG A 595 -10.615 -12.563 9.551 1.00 0.00 H new ATOM 0 HH11 ARG A 595 -11.746 -12.683 12.910 1.00 0.00 H new ATOM 0 HH12 ARG A 595 -13.316 -11.967 12.529 1.00 0.00 H new ATOM 0 HH21 ARG A 595 -12.666 -11.714 9.073 1.00 0.00 H new ATOM 0 HH22 ARG A 595 -13.832 -11.421 10.368 1.00 0.00 H new ATOM 764 N TYR A 596 -7.657 -15.167 14.863 1.00 0.00 N ATOM 765 CA TYR A 596 -8.180 -16.323 15.647 1.00 0.00 C ATOM 766 C TYR A 596 -8.872 -15.842 16.929 1.00 0.00 C ATOM 767 O TYR A 596 -9.888 -16.412 17.342 1.00 0.00 O ATOM 768 CB TYR A 596 -7.037 -17.313 15.984 1.00 0.00 C ATOM 769 CG TYR A 596 -7.363 -18.415 17.021 1.00 0.00 C ATOM 770 CD1 TYR A 596 -8.413 -19.323 16.824 1.00 0.00 C ATOM 771 CD2 TYR A 596 -6.603 -18.558 18.189 1.00 0.00 C ATOM 772 CE1 TYR A 596 -8.686 -20.319 17.743 1.00 0.00 C ATOM 773 CE2 TYR A 596 -6.871 -19.559 19.104 1.00 0.00 C ATOM 774 CZ TYR A 596 -7.911 -20.436 18.878 1.00 0.00 C ATOM 775 OH TYR A 596 -8.167 -21.443 19.788 1.00 0.00 O ATOM 0 H TYR A 596 -6.650 -15.204 14.707 1.00 0.00 H new ATOM 0 HA TYR A 596 -8.918 -16.843 15.036 1.00 0.00 H new ATOM 0 HB2 TYR A 596 -6.721 -17.797 15.060 1.00 0.00 H new ATOM 0 HB3 TYR A 596 -6.186 -16.740 16.351 1.00 0.00 H new ATOM 0 HD1 TYR A 596 -9.021 -19.243 15.935 1.00 0.00 H new ATOM 0 HD2 TYR A 596 -5.791 -17.872 18.379 1.00 0.00 H new ATOM 0 HE1 TYR A 596 -9.504 -21.004 17.573 1.00 0.00 H new ATOM 0 HE2 TYR A 596 -6.267 -19.654 19.994 1.00 0.00 H new ATOM 0 HH TYR A 596 -8.543 -22.218 19.321 1.00 0.00 H new ATOM 785 N LYS A 597 -8.301 -14.790 17.538 1.00 0.00 N ATOM 786 CA LYS A 597 -8.903 -14.091 18.684 1.00 0.00 C ATOM 787 C LYS A 597 -10.323 -13.618 18.318 1.00 0.00 C ATOM 788 O LYS A 597 -11.283 -13.950 18.998 1.00 0.00 O ATOM 789 CB LYS A 597 -8.006 -12.893 19.100 1.00 0.00 C ATOM 790 CG LYS A 597 -8.634 -11.914 20.113 1.00 0.00 C ATOM 791 CD LYS A 597 -7.734 -10.696 20.422 1.00 0.00 C ATOM 792 CE LYS A 597 -8.422 -9.690 21.363 1.00 0.00 C ATOM 793 NZ LYS A 597 -8.888 -10.325 22.626 1.00 0.00 N ATOM 0 H LYS A 597 -7.405 -14.399 17.248 1.00 0.00 H new ATOM 0 HA LYS A 597 -8.977 -14.773 19.531 1.00 0.00 H new ATOM 0 HB2 LYS A 597 -7.081 -13.284 19.524 1.00 0.00 H new ATOM 0 HB3 LYS A 597 -7.735 -12.336 18.203 1.00 0.00 H new ATOM 0 HG2 LYS A 597 -9.589 -11.562 19.724 1.00 0.00 H new ATOM 0 HG3 LYS A 597 -8.844 -12.447 21.040 1.00 0.00 H new ATOM 0 HD2 LYS A 597 -6.804 -11.039 20.876 1.00 0.00 H new ATOM 0 HD3 LYS A 597 -7.468 -10.197 19.490 1.00 0.00 H new ATOM 0 HE2 LYS A 597 -7.728 -8.884 21.599 1.00 0.00 H new ATOM 0 HE3 LYS A 597 -9.272 -9.239 20.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 597 -8.739 -9.670 23.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 597 -9.900 -10.550 22.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 597 -8.351 -11.200 22.794 1.00 0.00 H new ATOM 807 N GLU A 598 -10.435 -12.908 17.186 1.00 0.00 N ATOM 808 CA GLU A 598 -11.723 -12.386 16.679 1.00 0.00 C ATOM 809 C GLU A 598 -12.705 -13.528 16.324 1.00 0.00 C ATOM 810 O GLU A 598 -13.906 -13.398 16.560 1.00 0.00 O ATOM 811 CB GLU A 598 -11.484 -11.485 15.436 1.00 0.00 C ATOM 812 CG GLU A 598 -10.543 -10.296 15.683 1.00 0.00 C ATOM 813 CD GLU A 598 -10.260 -9.487 14.407 1.00 0.00 C ATOM 814 OE1 GLU A 598 -9.526 -9.986 13.524 1.00 0.00 O ATOM 815 OE2 GLU A 598 -10.745 -8.339 14.287 1.00 0.00 O ATOM 0 H GLU A 598 -9.638 -12.677 16.593 1.00 0.00 H new ATOM 0 HA GLU A 598 -12.175 -11.794 17.475 1.00 0.00 H new ATOM 0 HB2 GLU A 598 -11.073 -12.097 14.633 1.00 0.00 H new ATOM 0 HB3 GLU A 598 -12.445 -11.106 15.088 1.00 0.00 H new ATOM 0 HG2 GLU A 598 -10.983 -9.640 16.434 1.00 0.00 H new ATOM 0 HG3 GLU A 598 -9.601 -10.662 16.092 1.00 0.00 H new ATOM 822 N LEU A 599 -12.173 -14.647 15.780 1.00 0.00 N ATOM 823 CA LEU A 599 -12.993 -15.808 15.338 1.00 0.00 C ATOM 824 C LEU A 599 -13.665 -16.497 16.544 1.00 0.00 C ATOM 825 O LEU A 599 -14.879 -16.721 16.534 1.00 0.00 O ATOM 826 CB LEU A 599 -12.133 -16.833 14.534 1.00 0.00 C ATOM 827 CG LEU A 599 -11.531 -16.329 13.175 1.00 0.00 C ATOM 828 CD1 LEU A 599 -10.577 -17.373 12.547 1.00 0.00 C ATOM 829 CD2 LEU A 599 -12.635 -15.921 12.173 1.00 0.00 C ATOM 0 H LEU A 599 -11.172 -14.774 15.634 1.00 0.00 H new ATOM 0 HA LEU A 599 -13.773 -15.429 14.678 1.00 0.00 H new ATOM 0 HB2 LEU A 599 -11.311 -17.162 15.170 1.00 0.00 H new ATOM 0 HB3 LEU A 599 -12.749 -17.709 14.330 1.00 0.00 H new ATOM 0 HG LEU A 599 -10.945 -15.439 13.404 1.00 0.00 H new ATOM 0 HD11 LEU A 599 -10.182 -16.986 11.608 1.00 0.00 H new ATOM 0 HD12 LEU A 599 -9.754 -17.572 13.233 1.00 0.00 H new ATOM 0 HD13 LEU A 599 -11.123 -18.297 12.357 1.00 0.00 H new ATOM 0 HD21 LEU A 599 -12.176 -15.578 11.246 1.00 0.00 H new ATOM 0 HD22 LEU A 599 -13.274 -16.780 11.966 1.00 0.00 H new ATOM 0 HD23 LEU A 599 -13.235 -15.117 12.600 1.00 0.00 H new ATOM 841 N VAL A 600 -12.875 -16.796 17.595 1.00 0.00 N ATOM 842 CA VAL A 600 -13.388 -17.463 18.810 1.00 0.00 C ATOM 843 C VAL A 600 -14.331 -16.519 19.593 1.00 0.00 C ATOM 844 O VAL A 600 -15.348 -16.963 20.129 1.00 0.00 O ATOM 845 CB VAL A 600 -12.219 -18.005 19.732 1.00 0.00 C ATOM 846 CG1 VAL A 600 -11.289 -16.870 20.234 1.00 0.00 C ATOM 847 CG2 VAL A 600 -12.771 -18.838 20.922 1.00 0.00 C ATOM 0 H VAL A 600 -11.877 -16.586 17.627 1.00 0.00 H new ATOM 0 HA VAL A 600 -13.962 -18.332 18.489 1.00 0.00 H new ATOM 0 HB VAL A 600 -11.614 -18.664 19.110 1.00 0.00 H new ATOM 0 HG11 VAL A 600 -10.505 -17.293 20.861 1.00 0.00 H new ATOM 0 HG12 VAL A 600 -10.838 -16.365 19.380 1.00 0.00 H new ATOM 0 HG13 VAL A 600 -11.870 -16.153 20.814 1.00 0.00 H new ATOM 0 HG21 VAL A 600 -11.941 -19.194 21.533 1.00 0.00 H new ATOM 0 HG22 VAL A 600 -13.428 -18.215 21.529 1.00 0.00 H new ATOM 0 HG23 VAL A 600 -13.332 -19.691 20.540 1.00 0.00 H new ATOM 857 N GLU A 601 -14.011 -15.201 19.594 1.00 0.00 N ATOM 858 CA GLU A 601 -14.817 -14.180 20.295 1.00 0.00 C ATOM 859 C GLU A 601 -16.185 -13.978 19.623 1.00 0.00 C ATOM 860 O GLU A 601 -17.197 -13.885 20.320 1.00 0.00 O ATOM 861 CB GLU A 601 -14.057 -12.826 20.408 1.00 0.00 C ATOM 862 CG GLU A 601 -12.853 -12.845 21.375 1.00 0.00 C ATOM 863 CD GLU A 601 -12.113 -11.492 21.481 1.00 0.00 C ATOM 864 OE1 GLU A 601 -11.808 -10.882 20.433 1.00 0.00 O ATOM 865 OE2 GLU A 601 -11.808 -11.048 22.617 1.00 0.00 O ATOM 0 H GLU A 601 -13.195 -14.823 19.113 1.00 0.00 H new ATOM 0 HA GLU A 601 -14.990 -14.553 21.304 1.00 0.00 H new ATOM 0 HB2 GLU A 601 -13.706 -12.537 19.417 1.00 0.00 H new ATOM 0 HB3 GLU A 601 -14.757 -12.057 20.735 1.00 0.00 H new ATOM 0 HG2 GLU A 601 -13.200 -13.137 22.366 1.00 0.00 H new ATOM 0 HG3 GLU A 601 -12.148 -13.609 21.047 1.00 0.00 H new ATOM 872 N MET A 602 -16.218 -13.947 18.272 1.00 0.00 N ATOM 873 CA MET A 602 -17.467 -13.684 17.518 1.00 0.00 C ATOM 874 C MET A 602 -18.444 -14.869 17.649 1.00 0.00 C ATOM 875 O MET A 602 -19.652 -14.670 17.783 1.00 0.00 O ATOM 876 CB MET A 602 -17.189 -13.356 16.013 1.00 0.00 C ATOM 877 CG MET A 602 -16.750 -14.544 15.146 1.00 0.00 C ATOM 878 SD MET A 602 -16.552 -14.127 13.401 1.00 0.00 S ATOM 879 CE MET A 602 -16.289 -15.756 12.687 1.00 0.00 C ATOM 0 H MET A 602 -15.399 -14.100 17.683 1.00 0.00 H new ATOM 0 HA MET A 602 -17.930 -12.801 17.959 1.00 0.00 H new ATOM 0 HB2 MET A 602 -18.093 -12.928 15.580 1.00 0.00 H new ATOM 0 HB3 MET A 602 -16.417 -12.588 15.964 1.00 0.00 H new ATOM 0 HG2 MET A 602 -15.806 -14.933 15.528 1.00 0.00 H new ATOM 0 HG3 MET A 602 -17.485 -15.343 15.239 1.00 0.00 H new ATOM 0 HE1 MET A 602 -16.150 -15.663 11.610 1.00 0.00 H new ATOM 0 HE2 MET A 602 -15.402 -16.208 13.130 1.00 0.00 H new ATOM 0 HE3 MET A 602 -17.156 -16.386 12.888 1.00 0.00 H new ATOM 889 N VAL A 603 -17.895 -16.101 17.647 1.00 0.00 N ATOM 890 CA VAL A 603 -18.699 -17.326 17.770 1.00 0.00 C ATOM 891 C VAL A 603 -19.327 -17.410 19.173 1.00 0.00 C ATOM 892 O VAL A 603 -20.545 -17.547 19.292 1.00 0.00 O ATOM 893 CB VAL A 603 -17.851 -18.620 17.454 1.00 0.00 C ATOM 894 CG1 VAL A 603 -18.639 -19.921 17.774 1.00 0.00 C ATOM 895 CG2 VAL A 603 -17.373 -18.624 15.974 1.00 0.00 C ATOM 0 H VAL A 603 -16.893 -16.270 17.561 1.00 0.00 H new ATOM 0 HA VAL A 603 -19.497 -17.278 17.029 1.00 0.00 H new ATOM 0 HB VAL A 603 -16.975 -18.596 18.103 1.00 0.00 H new ATOM 0 HG11 VAL A 603 -18.020 -20.788 17.542 1.00 0.00 H new ATOM 0 HG12 VAL A 603 -18.903 -19.936 18.831 1.00 0.00 H new ATOM 0 HG13 VAL A 603 -19.548 -19.953 17.173 1.00 0.00 H new ATOM 0 HG21 VAL A 603 -16.791 -19.526 15.782 1.00 0.00 H new ATOM 0 HG22 VAL A 603 -18.239 -18.603 15.312 1.00 0.00 H new ATOM 0 HG23 VAL A 603 -16.754 -17.746 15.789 1.00 0.00 H new ATOM 905 N LYS A 604 -18.488 -17.259 20.224 1.00 0.00 N ATOM 906 CA LYS A 604 -18.929 -17.430 21.624 1.00 0.00 C ATOM 907 C LYS A 604 -19.908 -16.319 22.058 1.00 0.00 C ATOM 908 O LYS A 604 -20.831 -16.581 22.829 1.00 0.00 O ATOM 909 CB LYS A 604 -17.721 -17.504 22.608 1.00 0.00 C ATOM 910 CG LYS A 604 -16.926 -16.187 22.807 1.00 0.00 C ATOM 911 CD LYS A 604 -15.777 -16.332 23.835 1.00 0.00 C ATOM 912 CE LYS A 604 -14.970 -15.031 24.019 1.00 0.00 C ATOM 913 NZ LYS A 604 -15.805 -13.900 24.511 1.00 0.00 N ATOM 0 H LYS A 604 -17.501 -17.019 20.127 1.00 0.00 H new ATOM 0 HA LYS A 604 -19.458 -18.382 21.667 1.00 0.00 H new ATOM 0 HB2 LYS A 604 -18.089 -17.834 23.580 1.00 0.00 H new ATOM 0 HB3 LYS A 604 -17.033 -18.270 22.251 1.00 0.00 H new ATOM 0 HG2 LYS A 604 -16.513 -15.868 21.850 1.00 0.00 H new ATOM 0 HG3 LYS A 604 -17.607 -15.403 23.138 1.00 0.00 H new ATOM 0 HD2 LYS A 604 -16.192 -16.635 24.796 1.00 0.00 H new ATOM 0 HD3 LYS A 604 -15.106 -17.128 23.512 1.00 0.00 H new ATOM 0 HE2 LYS A 604 -14.157 -15.209 24.723 1.00 0.00 H new ATOM 0 HE3 LYS A 604 -14.514 -14.754 23.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 604 -15.196 -13.081 24.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 604 -16.502 -13.641 23.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 604 -16.300 -14.186 25.380 1.00 0.00 H new ATOM 927 N ALA A 605 -19.710 -15.091 21.538 1.00 0.00 N ATOM 928 CA ALA A 605 -20.540 -13.926 21.907 1.00 0.00 C ATOM 929 C ALA A 605 -21.956 -14.057 21.337 1.00 0.00 C ATOM 930 O ALA A 605 -22.945 -13.832 22.038 1.00 0.00 O ATOM 931 CB ALA A 605 -19.890 -12.624 21.431 1.00 0.00 C ATOM 0 H ALA A 605 -18.979 -14.880 20.858 1.00 0.00 H new ATOM 0 HA ALA A 605 -20.612 -13.898 22.994 1.00 0.00 H new ATOM 0 HB1 ALA A 605 -20.518 -11.779 21.713 1.00 0.00 H new ATOM 0 HB2 ALA A 605 -18.909 -12.517 21.893 1.00 0.00 H new ATOM 0 HB3 ALA A 605 -19.780 -12.648 20.347 1.00 0.00 H new ATOM 937 N LYS A 606 -22.033 -14.436 20.051 1.00 0.00 N ATOM 938 CA LYS A 606 -23.313 -14.641 19.341 1.00 0.00 C ATOM 939 C LYS A 606 -24.042 -15.885 19.892 1.00 0.00 C ATOM 940 O LYS A 606 -25.272 -15.888 19.997 1.00 0.00 O ATOM 941 CB LYS A 606 -23.072 -14.756 17.799 1.00 0.00 C ATOM 942 CG LYS A 606 -23.006 -13.405 17.028 1.00 0.00 C ATOM 943 CD LYS A 606 -21.924 -12.422 17.550 1.00 0.00 C ATOM 944 CE LYS A 606 -21.819 -11.137 16.704 1.00 0.00 C ATOM 945 NZ LYS A 606 -23.109 -10.397 16.640 1.00 0.00 N ATOM 0 H LYS A 606 -21.212 -14.610 19.471 1.00 0.00 H new ATOM 0 HA LYS A 606 -23.953 -13.776 19.514 1.00 0.00 H new ATOM 0 HB2 LYS A 606 -22.139 -15.294 17.634 1.00 0.00 H new ATOM 0 HB3 LYS A 606 -23.870 -15.361 17.368 1.00 0.00 H new ATOM 0 HG2 LYS A 606 -22.815 -13.611 15.975 1.00 0.00 H new ATOM 0 HG3 LYS A 606 -23.980 -12.919 17.087 1.00 0.00 H new ATOM 0 HD2 LYS A 606 -22.152 -12.154 18.582 1.00 0.00 H new ATOM 0 HD3 LYS A 606 -20.957 -12.925 17.558 1.00 0.00 H new ATOM 0 HE2 LYS A 606 -21.051 -10.489 17.126 1.00 0.00 H new ATOM 0 HE3 LYS A 606 -21.500 -11.394 15.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 606 -22.973 -9.508 16.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 606 -23.819 -10.979 16.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 606 -23.437 -10.186 17.604 1.00 0.00 H new ATOM 959 N LYS A 607 -23.254 -16.913 20.269 1.00 0.00 N ATOM 960 CA LYS A 607 -23.763 -18.178 20.845 1.00 0.00 C ATOM 961 C LYS A 607 -24.430 -17.925 22.208 1.00 0.00 C ATOM 962 O LYS A 607 -25.554 -18.382 22.459 1.00 0.00 O ATOM 963 CB LYS A 607 -22.600 -19.208 20.988 1.00 0.00 C ATOM 964 CG LYS A 607 -22.999 -20.595 21.544 1.00 0.00 C ATOM 965 CD LYS A 607 -24.078 -21.296 20.687 1.00 0.00 C ATOM 966 CE LYS A 607 -24.466 -22.672 21.242 1.00 0.00 C ATOM 967 NZ LYS A 607 -25.580 -23.288 20.485 1.00 0.00 N ATOM 0 H LYS A 607 -22.238 -16.890 20.182 1.00 0.00 H new ATOM 0 HA LYS A 607 -24.514 -18.589 20.171 1.00 0.00 H new ATOM 0 HB2 LYS A 607 -22.140 -19.347 20.010 1.00 0.00 H new ATOM 0 HB3 LYS A 607 -21.838 -18.781 21.640 1.00 0.00 H new ATOM 0 HG2 LYS A 607 -22.114 -21.229 21.596 1.00 0.00 H new ATOM 0 HG3 LYS A 607 -23.369 -20.480 22.563 1.00 0.00 H new ATOM 0 HD2 LYS A 607 -24.965 -20.664 20.638 1.00 0.00 H new ATOM 0 HD3 LYS A 607 -23.710 -21.410 19.667 1.00 0.00 H new ATOM 0 HE2 LYS A 607 -23.599 -23.332 21.210 1.00 0.00 H new ATOM 0 HE3 LYS A 607 -24.752 -22.572 22.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 607 -25.808 -24.216 20.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 607 -26.417 -22.672 20.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 607 -25.299 -23.409 19.491 1.00 0.00 H new ATOM 981 N ALA A 608 -23.720 -17.175 23.064 1.00 0.00 N ATOM 982 CA ALA A 608 -24.179 -16.847 24.421 1.00 0.00 C ATOM 983 C ALA A 608 -25.426 -15.960 24.358 1.00 0.00 C ATOM 984 O ALA A 608 -26.481 -16.333 24.870 1.00 0.00 O ATOM 985 CB ALA A 608 -23.059 -16.156 25.220 1.00 0.00 C ATOM 0 H ALA A 608 -22.809 -16.778 22.834 1.00 0.00 H new ATOM 0 HA ALA A 608 -24.439 -17.773 24.934 1.00 0.00 H new ATOM 0 HB1 ALA A 608 -23.418 -15.921 26.222 1.00 0.00 H new ATOM 0 HB2 ALA A 608 -22.198 -16.821 25.290 1.00 0.00 H new ATOM 0 HB3 ALA A 608 -22.766 -15.236 24.715 1.00 0.00 H new