USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=18 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 161:sc= 0.545 USER MOD Single : A 556 THR OG1 : rot 180:sc= 0 USER MOD Single : A 559 GLN : amide:sc= -0.639 K(o=-0.64,f=-1.2) USER MOD Single : A 560 LYS NZ :NH3+ -177:sc= 0.203 (180deg=0.193) USER MOD Single : A 564 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 567 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 568 THR OG1 : rot 73:sc= 1.22 USER MOD Single : A 569 TYR OH : rot 180:sc= 0 USER MOD Single : A 572 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 573 THR OG1 : rot -130:sc= -0.2 USER MOD Single : A 578 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0319) USER MOD Single : A 579 LYS NZ :NH3+ -118:sc= 0.364 (180deg=0) USER MOD Single : A 588 THR OG1 : rot -89:sc= 0.0749 USER MOD Single : A 589 LYS NZ :NH3+ -117:sc= 1.11 (180deg=0.0377) USER MOD Single : A 590 LYS NZ :NH3+ 171:sc=-0.00483 (180deg=-0.128) USER MOD Single : A 592 CYS SG : rot 59:sc= 1.17 USER MOD Single : A 593 MET CE :methyl -143:sc= 0 (180deg=-0.505) USER MOD Single : A 594 LYS NZ :NH3+ 174:sc= 0.64 (180deg=0.592) USER MOD Single : A 596 TYR OH : rot 180:sc= 0 USER MOD Single : A 597 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0376) USER MOD Single : A 602 MET CE :methyl -174:sc= -0.461 (180deg=-0.537) USER MOD Single : A 604 LYS NZ :NH3+ 143:sc= 0.0179 (180deg=0) USER MOD Single : A 606 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 607 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 49 N TRP A 554 -6.071 -10.247 5.871 1.00 0.00 N ATOM 50 CA TRP A 554 -6.741 -11.547 5.797 1.00 0.00 C ATOM 51 C TRP A 554 -7.688 -11.617 4.601 1.00 0.00 C ATOM 52 O TRP A 554 -8.856 -11.223 4.677 1.00 0.00 O ATOM 53 CB TRP A 554 -7.446 -11.881 7.136 1.00 0.00 C ATOM 54 CG TRP A 554 -6.444 -12.263 8.191 1.00 0.00 C ATOM 55 CD1 TRP A 554 -6.027 -11.537 9.273 1.00 0.00 C ATOM 56 CD2 TRP A 554 -5.678 -13.466 8.191 1.00 0.00 C ATOM 57 NE1 TRP A 554 -5.069 -12.242 9.953 1.00 0.00 N ATOM 58 CE2 TRP A 554 -4.835 -13.426 9.301 1.00 0.00 C ATOM 59 CE3 TRP A 554 -5.646 -14.584 7.354 1.00 0.00 C ATOM 60 CZ2 TRP A 554 -3.949 -14.457 9.592 1.00 0.00 C ATOM 61 CZ3 TRP A 554 -4.774 -15.603 7.644 1.00 0.00 C ATOM 62 CH2 TRP A 554 -3.933 -15.536 8.757 1.00 0.00 C ATOM 0 HA TRP A 554 -5.984 -12.315 5.636 1.00 0.00 H new ATOM 0 HB2 TRP A 554 -8.023 -11.020 7.472 1.00 0.00 H new ATOM 0 HB3 TRP A 554 -8.151 -12.698 6.986 1.00 0.00 H new ATOM 0 HD1 TRP A 554 -6.396 -10.560 9.548 1.00 0.00 H new ATOM 0 HE1 TRP A 554 -4.604 -11.935 10.808 1.00 0.00 H new ATOM 0 HE3 TRP A 554 -6.296 -14.645 6.494 1.00 0.00 H new ATOM 0 HZ2 TRP A 554 -3.295 -14.406 10.450 1.00 0.00 H new ATOM 0 HZ3 TRP A 554 -4.737 -16.470 7.002 1.00 0.00 H new ATOM 0 HH2 TRP A 554 -3.257 -16.354 8.961 1.00 0.00 H new ATOM 73 N THR A 555 -7.111 -12.059 3.479 1.00 0.00 N ATOM 74 CA THR A 555 -7.824 -12.374 2.251 1.00 0.00 C ATOM 75 C THR A 555 -8.622 -13.680 2.433 1.00 0.00 C ATOM 76 O THR A 555 -8.223 -14.541 3.221 1.00 0.00 O ATOM 77 CB THR A 555 -6.804 -12.501 1.078 1.00 0.00 C ATOM 78 OG1 THR A 555 -5.826 -13.502 1.400 1.00 0.00 O ATOM 79 CG2 THR A 555 -6.079 -11.170 0.794 1.00 0.00 C ATOM 0 H THR A 555 -6.105 -12.210 3.405 1.00 0.00 H new ATOM 0 HA THR A 555 -8.527 -11.575 2.015 1.00 0.00 H new ATOM 0 HB THR A 555 -7.364 -12.780 0.186 1.00 0.00 H new ATOM 0 HG1 THR A 555 -5.386 -13.806 0.579 1.00 0.00 H new ATOM 0 HG21 THR A 555 -5.379 -11.306 -0.030 1.00 0.00 H new ATOM 0 HG22 THR A 555 -6.810 -10.407 0.527 1.00 0.00 H new ATOM 0 HG23 THR A 555 -5.535 -10.855 1.684 1.00 0.00 H new ATOM 87 N THR A 556 -9.734 -13.809 1.701 1.00 0.00 N ATOM 88 CA THR A 556 -10.724 -14.888 1.894 1.00 0.00 C ATOM 89 C THR A 556 -10.114 -16.298 1.659 1.00 0.00 C ATOM 90 O THR A 556 -10.457 -17.261 2.363 1.00 0.00 O ATOM 91 CB THR A 556 -11.947 -14.654 0.953 1.00 0.00 C ATOM 92 OG1 THR A 556 -12.415 -13.295 1.107 1.00 0.00 O ATOM 93 CG2 THR A 556 -13.116 -15.621 1.231 1.00 0.00 C ATOM 0 H THR A 556 -9.979 -13.164 0.950 1.00 0.00 H new ATOM 0 HA THR A 556 -11.052 -14.857 2.933 1.00 0.00 H new ATOM 0 HB THR A 556 -11.606 -14.841 -0.065 1.00 0.00 H new ATOM 0 HG1 THR A 556 -13.182 -13.144 0.516 1.00 0.00 H new ATOM 0 HG21 THR A 556 -13.936 -15.408 0.545 1.00 0.00 H new ATOM 0 HG22 THR A 556 -12.780 -16.648 1.088 1.00 0.00 H new ATOM 0 HG23 THR A 556 -13.459 -15.491 2.257 1.00 0.00 H new ATOM 101 N GLU A 557 -9.190 -16.395 0.685 1.00 0.00 N ATOM 102 CA GLU A 557 -8.479 -17.654 0.372 1.00 0.00 C ATOM 103 C GLU A 557 -7.502 -18.044 1.504 1.00 0.00 C ATOM 104 O GLU A 557 -7.382 -19.220 1.831 1.00 0.00 O ATOM 105 CB GLU A 557 -7.740 -17.579 -1.000 1.00 0.00 C ATOM 106 CG GLU A 557 -6.782 -16.369 -1.187 1.00 0.00 C ATOM 107 CD GLU A 557 -7.414 -15.165 -1.920 1.00 0.00 C ATOM 108 OE1 GLU A 557 -8.219 -14.423 -1.309 1.00 0.00 O ATOM 109 OE2 GLU A 557 -7.104 -14.951 -3.115 1.00 0.00 O ATOM 0 H GLU A 557 -8.915 -15.610 0.095 1.00 0.00 H new ATOM 0 HA GLU A 557 -9.235 -18.436 0.294 1.00 0.00 H new ATOM 0 HB2 GLU A 557 -7.166 -18.496 -1.133 1.00 0.00 H new ATOM 0 HB3 GLU A 557 -8.487 -17.553 -1.793 1.00 0.00 H new ATOM 0 HG2 GLU A 557 -6.434 -16.041 -0.207 1.00 0.00 H new ATOM 0 HG3 GLU A 557 -5.904 -16.698 -1.743 1.00 0.00 H new ATOM 116 N GLU A 558 -6.821 -17.053 2.105 1.00 0.00 N ATOM 117 CA GLU A 558 -5.913 -17.289 3.251 1.00 0.00 C ATOM 118 C GLU A 558 -6.709 -17.516 4.555 1.00 0.00 C ATOM 119 O GLU A 558 -6.219 -18.179 5.469 1.00 0.00 O ATOM 120 CB GLU A 558 -4.884 -16.125 3.413 1.00 0.00 C ATOM 121 CG GLU A 558 -3.589 -16.277 2.573 1.00 0.00 C ATOM 122 CD GLU A 558 -3.807 -16.316 1.049 1.00 0.00 C ATOM 123 OE1 GLU A 558 -3.809 -15.236 0.416 1.00 0.00 O ATOM 124 OE2 GLU A 558 -3.973 -17.419 0.478 1.00 0.00 O ATOM 0 H GLU A 558 -6.880 -16.076 1.818 1.00 0.00 H new ATOM 0 HA GLU A 558 -5.349 -18.198 3.042 1.00 0.00 H new ATOM 0 HB2 GLU A 558 -5.370 -15.189 3.138 1.00 0.00 H new ATOM 0 HB3 GLU A 558 -4.610 -16.045 4.465 1.00 0.00 H new ATOM 0 HG2 GLU A 558 -2.921 -15.449 2.809 1.00 0.00 H new ATOM 0 HG3 GLU A 558 -3.081 -17.193 2.877 1.00 0.00 H new ATOM 131 N GLN A 559 -7.936 -16.966 4.626 1.00 0.00 N ATOM 132 CA GLN A 559 -8.819 -17.114 5.802 1.00 0.00 C ATOM 133 C GLN A 559 -9.300 -18.567 5.934 1.00 0.00 C ATOM 134 O GLN A 559 -9.278 -19.128 7.037 1.00 0.00 O ATOM 135 CB GLN A 559 -10.020 -16.113 5.718 1.00 0.00 C ATOM 136 CG GLN A 559 -11.008 -16.142 6.922 1.00 0.00 C ATOM 137 CD GLN A 559 -12.034 -17.289 6.876 1.00 0.00 C ATOM 138 OE1 GLN A 559 -12.498 -17.670 5.811 1.00 0.00 O ATOM 139 NE2 GLN A 559 -12.338 -17.885 8.018 1.00 0.00 N ATOM 0 H GLN A 559 -8.343 -16.409 3.875 1.00 0.00 H new ATOM 0 HA GLN A 559 -8.251 -16.871 6.700 1.00 0.00 H new ATOM 0 HB2 GLN A 559 -9.621 -15.103 5.623 1.00 0.00 H new ATOM 0 HB3 GLN A 559 -10.580 -16.322 4.807 1.00 0.00 H new ATOM 0 HG2 GLN A 559 -10.434 -16.221 7.845 1.00 0.00 H new ATOM 0 HG3 GLN A 559 -11.543 -15.193 6.960 1.00 0.00 H new ATOM 0 HE21 GLN A 559 -11.937 -17.547 8.893 1.00 0.00 H new ATOM 0 HE22 GLN A 559 -12.974 -18.683 8.024 1.00 0.00 H new ATOM 148 N LYS A 560 -9.751 -19.168 4.812 1.00 0.00 N ATOM 149 CA LYS A 560 -10.237 -20.571 4.810 1.00 0.00 C ATOM 150 C LYS A 560 -9.100 -21.556 5.126 1.00 0.00 C ATOM 151 O LYS A 560 -9.354 -22.636 5.653 1.00 0.00 O ATOM 152 CB LYS A 560 -10.925 -20.959 3.472 1.00 0.00 C ATOM 153 CG LYS A 560 -10.039 -20.825 2.218 1.00 0.00 C ATOM 154 CD LYS A 560 -10.723 -21.320 0.915 1.00 0.00 C ATOM 155 CE LYS A 560 -12.083 -20.650 0.644 1.00 0.00 C ATOM 156 NZ LYS A 560 -12.004 -19.166 0.653 1.00 0.00 N ATOM 0 H LYS A 560 -9.790 -18.711 3.901 1.00 0.00 H new ATOM 0 HA LYS A 560 -10.988 -20.636 5.597 1.00 0.00 H new ATOM 0 HB2 LYS A 560 -11.271 -21.990 3.545 1.00 0.00 H new ATOM 0 HB3 LYS A 560 -11.809 -20.335 3.342 1.00 0.00 H new ATOM 0 HG2 LYS A 560 -9.755 -19.780 2.094 1.00 0.00 H new ATOM 0 HG3 LYS A 560 -9.119 -21.389 2.372 1.00 0.00 H new ATOM 0 HD2 LYS A 560 -10.059 -21.132 0.071 1.00 0.00 H new ATOM 0 HD3 LYS A 560 -10.864 -22.399 0.975 1.00 0.00 H new ATOM 0 HE2 LYS A 560 -12.461 -20.984 -0.322 1.00 0.00 H new ATOM 0 HE3 LYS A 560 -12.800 -20.976 1.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 560 -12.955 -18.767 0.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 560 -11.621 -18.844 1.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 560 -11.381 -18.847 -0.116 1.00 0.00 H new ATOM 170 N LEU A 561 -7.850 -21.166 4.802 1.00 0.00 N ATOM 171 CA LEU A 561 -6.647 -21.960 5.119 1.00 0.00 C ATOM 172 C LEU A 561 -6.256 -21.782 6.598 1.00 0.00 C ATOM 173 O LEU A 561 -5.763 -22.721 7.220 1.00 0.00 O ATOM 174 CB LEU A 561 -5.472 -21.559 4.190 1.00 0.00 C ATOM 175 CG LEU A 561 -5.721 -21.753 2.662 1.00 0.00 C ATOM 176 CD1 LEU A 561 -4.481 -21.350 1.833 1.00 0.00 C ATOM 177 CD2 LEU A 561 -6.187 -23.194 2.341 1.00 0.00 C ATOM 0 H LEU A 561 -7.647 -20.293 4.314 1.00 0.00 H new ATOM 0 HA LEU A 561 -6.874 -23.013 4.950 1.00 0.00 H new ATOM 0 HB2 LEU A 561 -5.232 -20.511 4.370 1.00 0.00 H new ATOM 0 HB3 LEU A 561 -4.594 -22.140 4.473 1.00 0.00 H new ATOM 0 HG LEU A 561 -6.532 -21.084 2.373 1.00 0.00 H new ATOM 0 HD11 LEU A 561 -4.688 -21.497 0.773 1.00 0.00 H new ATOM 0 HD12 LEU A 561 -4.247 -20.301 2.015 1.00 0.00 H new ATOM 0 HD13 LEU A 561 -3.631 -21.967 2.126 1.00 0.00 H new ATOM 0 HD21 LEU A 561 -6.351 -23.293 1.268 1.00 0.00 H new ATOM 0 HD22 LEU A 561 -5.422 -23.903 2.658 1.00 0.00 H new ATOM 0 HD23 LEU A 561 -7.117 -23.402 2.871 1.00 0.00 H new ATOM 189 N LEU A 562 -6.484 -20.561 7.137 1.00 0.00 N ATOM 190 CA LEU A 562 -6.227 -20.226 8.563 1.00 0.00 C ATOM 191 C LEU A 562 -7.135 -21.077 9.454 1.00 0.00 C ATOM 192 O LEU A 562 -6.668 -21.769 10.360 1.00 0.00 O ATOM 193 CB LEU A 562 -6.432 -18.684 8.776 1.00 0.00 C ATOM 194 CG LEU A 562 -6.150 -18.047 10.195 1.00 0.00 C ATOM 195 CD1 LEU A 562 -7.383 -18.070 11.122 1.00 0.00 C ATOM 196 CD2 LEU A 562 -4.917 -18.679 10.879 1.00 0.00 C ATOM 0 H LEU A 562 -6.852 -19.778 6.597 1.00 0.00 H new ATOM 0 HA LEU A 562 -5.198 -20.456 8.840 1.00 0.00 H new ATOM 0 HB2 LEU A 562 -5.798 -18.168 8.055 1.00 0.00 H new ATOM 0 HB3 LEU A 562 -7.465 -18.453 8.514 1.00 0.00 H new ATOM 0 HG LEU A 562 -5.922 -16.997 10.010 1.00 0.00 H new ATOM 0 HD11 LEU A 562 -7.126 -17.619 12.081 1.00 0.00 H new ATOM 0 HD12 LEU A 562 -8.195 -17.506 10.662 1.00 0.00 H new ATOM 0 HD13 LEU A 562 -7.701 -19.101 11.279 1.00 0.00 H new ATOM 0 HD21 LEU A 562 -4.760 -18.211 11.851 1.00 0.00 H new ATOM 0 HD22 LEU A 562 -5.083 -19.748 11.013 1.00 0.00 H new ATOM 0 HD23 LEU A 562 -4.036 -18.524 10.256 1.00 0.00 H new ATOM 208 N GLU A 563 -8.429 -21.036 9.134 1.00 0.00 N ATOM 209 CA GLU A 563 -9.471 -21.807 9.816 1.00 0.00 C ATOM 210 C GLU A 563 -9.252 -23.317 9.650 1.00 0.00 C ATOM 211 O GLU A 563 -9.370 -24.062 10.623 1.00 0.00 O ATOM 212 CB GLU A 563 -10.881 -21.357 9.321 1.00 0.00 C ATOM 213 CG GLU A 563 -11.601 -20.402 10.285 1.00 0.00 C ATOM 214 CD GLU A 563 -12.106 -21.121 11.561 1.00 0.00 C ATOM 215 OE1 GLU A 563 -11.347 -21.244 12.548 1.00 0.00 O ATOM 216 OE2 GLU A 563 -13.263 -21.584 11.566 1.00 0.00 O ATOM 0 H GLU A 563 -8.790 -20.454 8.378 1.00 0.00 H new ATOM 0 HA GLU A 563 -9.412 -21.604 10.885 1.00 0.00 H new ATOM 0 HB2 GLU A 563 -10.777 -20.869 8.352 1.00 0.00 H new ATOM 0 HB3 GLU A 563 -11.501 -22.240 9.169 1.00 0.00 H new ATOM 0 HG2 GLU A 563 -10.923 -19.597 10.569 1.00 0.00 H new ATOM 0 HG3 GLU A 563 -12.445 -19.941 9.773 1.00 0.00 H new ATOM 223 N GLN A 564 -8.896 -23.747 8.424 1.00 0.00 N ATOM 224 CA GLN A 564 -8.570 -25.162 8.129 1.00 0.00 C ATOM 225 C GLN A 564 -7.423 -25.640 9.034 1.00 0.00 C ATOM 226 O GLN A 564 -7.479 -26.727 9.593 1.00 0.00 O ATOM 227 CB GLN A 564 -8.172 -25.326 6.637 1.00 0.00 C ATOM 228 CG GLN A 564 -7.809 -26.761 6.196 1.00 0.00 C ATOM 229 CD GLN A 564 -7.302 -26.829 4.751 1.00 0.00 C ATOM 230 OE1 GLN A 564 -8.072 -27.016 3.813 1.00 0.00 O ATOM 231 NE2 GLN A 564 -6.000 -26.647 4.563 1.00 0.00 N ATOM 0 H GLN A 564 -8.826 -23.131 7.614 1.00 0.00 H new ATOM 0 HA GLN A 564 -9.453 -25.770 8.324 1.00 0.00 H new ATOM 0 HB2 GLN A 564 -8.997 -24.973 6.019 1.00 0.00 H new ATOM 0 HB3 GLN A 564 -7.321 -24.676 6.433 1.00 0.00 H new ATOM 0 HG2 GLN A 564 -7.044 -27.159 6.863 1.00 0.00 H new ATOM 0 HG3 GLN A 564 -8.686 -27.400 6.299 1.00 0.00 H new ATOM 0 HE21 GLN A 564 -5.386 -26.494 5.363 1.00 0.00 H new ATOM 0 HE22 GLN A 564 -5.614 -26.660 3.619 1.00 0.00 H new ATOM 240 N ALA A 565 -6.418 -24.769 9.207 1.00 0.00 N ATOM 241 CA ALA A 565 -5.214 -25.052 10.008 1.00 0.00 C ATOM 242 C ALA A 565 -5.503 -25.006 11.525 1.00 0.00 C ATOM 243 O ALA A 565 -4.813 -25.653 12.315 1.00 0.00 O ATOM 244 CB ALA A 565 -4.098 -24.077 9.621 1.00 0.00 C ATOM 0 H ALA A 565 -6.417 -23.838 8.791 1.00 0.00 H new ATOM 0 HA ALA A 565 -4.888 -26.069 9.788 1.00 0.00 H new ATOM 0 HB1 ALA A 565 -3.208 -24.288 10.215 1.00 0.00 H new ATOM 0 HB2 ALA A 565 -3.864 -24.193 8.563 1.00 0.00 H new ATOM 0 HB3 ALA A 565 -4.426 -23.055 9.810 1.00 0.00 H new ATOM 250 N LEU A 566 -6.519 -24.217 11.926 1.00 0.00 N ATOM 251 CA LEU A 566 -7.005 -24.184 13.325 1.00 0.00 C ATOM 252 C LEU A 566 -7.776 -25.475 13.660 1.00 0.00 C ATOM 253 O LEU A 566 -7.777 -25.917 14.813 1.00 0.00 O ATOM 254 CB LEU A 566 -7.904 -22.944 13.585 1.00 0.00 C ATOM 255 CG LEU A 566 -7.212 -21.546 13.474 1.00 0.00 C ATOM 256 CD1 LEU A 566 -8.225 -20.408 13.672 1.00 0.00 C ATOM 257 CD2 LEU A 566 -6.038 -21.402 14.463 1.00 0.00 C ATOM 0 H LEU A 566 -7.023 -23.590 11.299 1.00 0.00 H new ATOM 0 HA LEU A 566 -6.133 -24.112 13.975 1.00 0.00 H new ATOM 0 HB2 LEU A 566 -8.735 -22.971 12.880 1.00 0.00 H new ATOM 0 HB3 LEU A 566 -8.331 -23.035 14.584 1.00 0.00 H new ATOM 0 HG LEU A 566 -6.804 -21.474 12.466 1.00 0.00 H new ATOM 0 HD11 LEU A 566 -7.715 -19.448 13.589 1.00 0.00 H new ATOM 0 HD12 LEU A 566 -9.000 -20.474 12.908 1.00 0.00 H new ATOM 0 HD13 LEU A 566 -8.680 -20.493 14.659 1.00 0.00 H new ATOM 0 HD21 LEU A 566 -5.587 -20.416 14.351 1.00 0.00 H new ATOM 0 HD22 LEU A 566 -6.405 -21.520 15.483 1.00 0.00 H new ATOM 0 HD23 LEU A 566 -5.291 -22.168 14.255 1.00 0.00 H new ATOM 269 N LYS A 567 -8.444 -26.063 12.641 1.00 0.00 N ATOM 270 CA LYS A 567 -9.176 -27.336 12.797 1.00 0.00 C ATOM 271 C LYS A 567 -8.175 -28.513 12.770 1.00 0.00 C ATOM 272 O LYS A 567 -8.315 -29.480 13.528 1.00 0.00 O ATOM 273 CB LYS A 567 -10.248 -27.541 11.680 1.00 0.00 C ATOM 274 CG LYS A 567 -11.276 -26.396 11.450 1.00 0.00 C ATOM 275 CD LYS A 567 -12.045 -25.906 12.723 1.00 0.00 C ATOM 276 CE LYS A 567 -11.508 -24.564 13.288 1.00 0.00 C ATOM 277 NZ LYS A 567 -12.392 -23.991 14.331 1.00 0.00 N ATOM 0 H LYS A 567 -8.490 -25.672 11.700 1.00 0.00 H new ATOM 0 HA LYS A 567 -9.697 -27.301 13.754 1.00 0.00 H new ATOM 0 HB2 LYS A 567 -9.725 -27.717 10.740 1.00 0.00 H new ATOM 0 HB3 LYS A 567 -10.803 -28.450 11.910 1.00 0.00 H new ATOM 0 HG2 LYS A 567 -10.752 -25.545 11.015 1.00 0.00 H new ATOM 0 HG3 LYS A 567 -12.006 -26.731 10.714 1.00 0.00 H new ATOM 0 HD2 LYS A 567 -13.101 -25.792 12.479 1.00 0.00 H new ATOM 0 HD3 LYS A 567 -11.977 -26.671 13.497 1.00 0.00 H new ATOM 0 HE2 LYS A 567 -10.514 -24.722 13.706 1.00 0.00 H new ATOM 0 HE3 LYS A 567 -11.401 -23.848 12.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 567 -11.988 -23.096 14.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 567 -13.334 -23.814 13.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 567 -12.474 -24.661 15.123 1.00 0.00 H new ATOM 291 N THR A 568 -7.157 -28.399 11.886 1.00 0.00 N ATOM 292 CA THR A 568 -6.122 -29.432 11.677 1.00 0.00 C ATOM 293 C THR A 568 -5.222 -29.560 12.917 1.00 0.00 C ATOM 294 O THR A 568 -5.022 -30.659 13.442 1.00 0.00 O ATOM 295 CB THR A 568 -5.239 -29.101 10.418 1.00 0.00 C ATOM 296 OG1 THR A 568 -6.055 -29.036 9.240 1.00 0.00 O ATOM 297 CG2 THR A 568 -4.120 -30.128 10.171 1.00 0.00 C ATOM 0 H THR A 568 -7.032 -27.578 11.293 1.00 0.00 H new ATOM 0 HA THR A 568 -6.633 -30.380 11.508 1.00 0.00 H new ATOM 0 HB THR A 568 -4.773 -28.138 10.628 1.00 0.00 H new ATOM 0 HG1 THR A 568 -6.590 -28.215 9.257 1.00 0.00 H new ATOM 0 HG21 THR A 568 -3.550 -29.839 9.288 1.00 0.00 H new ATOM 0 HG22 THR A 568 -3.458 -30.160 11.036 1.00 0.00 H new ATOM 0 HG23 THR A 568 -4.559 -31.113 10.013 1.00 0.00 H new ATOM 305 N TYR A 569 -4.700 -28.418 13.379 1.00 0.00 N ATOM 306 CA TYR A 569 -3.773 -28.354 14.520 1.00 0.00 C ATOM 307 C TYR A 569 -4.530 -27.813 15.746 1.00 0.00 C ATOM 308 O TYR A 569 -5.025 -26.680 15.689 1.00 0.00 O ATOM 309 CB TYR A 569 -2.554 -27.449 14.186 1.00 0.00 C ATOM 310 CG TYR A 569 -1.866 -27.815 12.871 1.00 0.00 C ATOM 311 CD1 TYR A 569 -1.224 -29.045 12.721 1.00 0.00 C ATOM 312 CD2 TYR A 569 -1.894 -26.951 11.773 1.00 0.00 C ATOM 313 CE1 TYR A 569 -0.623 -29.392 11.531 1.00 0.00 C ATOM 314 CE2 TYR A 569 -1.299 -27.301 10.578 1.00 0.00 C ATOM 315 CZ TYR A 569 -0.666 -28.524 10.463 1.00 0.00 C ATOM 316 OH TYR A 569 -0.059 -28.874 9.279 1.00 0.00 O ATOM 0 H TYR A 569 -4.908 -27.507 12.971 1.00 0.00 H new ATOM 0 HA TYR A 569 -3.394 -29.353 14.737 1.00 0.00 H new ATOM 0 HB2 TYR A 569 -2.884 -26.411 14.138 1.00 0.00 H new ATOM 0 HB3 TYR A 569 -1.829 -27.515 14.997 1.00 0.00 H new ATOM 0 HD1 TYR A 569 -1.198 -29.736 13.551 1.00 0.00 H new ATOM 0 HD2 TYR A 569 -2.389 -25.995 11.861 1.00 0.00 H new ATOM 0 HE1 TYR A 569 -0.119 -30.343 11.436 1.00 0.00 H new ATOM 0 HE2 TYR A 569 -1.328 -26.623 9.738 1.00 0.00 H new ATOM 0 HH TYR A 569 -0.180 -28.155 8.624 1.00 0.00 H new ATOM 326 N PRO A 570 -4.691 -28.637 16.834 1.00 0.00 N ATOM 327 CA PRO A 570 -5.209 -28.173 18.153 1.00 0.00 C ATOM 328 C PRO A 570 -4.436 -26.959 18.715 1.00 0.00 C ATOM 329 O PRO A 570 -3.295 -26.707 18.317 1.00 0.00 O ATOM 330 CB PRO A 570 -5.009 -29.421 19.059 1.00 0.00 C ATOM 331 CG PRO A 570 -5.107 -30.576 18.118 1.00 0.00 C ATOM 332 CD PRO A 570 -4.425 -30.110 16.854 1.00 0.00 C ATOM 0 HA PRO A 570 -6.240 -27.827 18.088 1.00 0.00 H new ATOM 0 HB2 PRO A 570 -4.042 -29.398 19.561 1.00 0.00 H new ATOM 0 HB3 PRO A 570 -5.771 -29.475 19.837 1.00 0.00 H new ATOM 0 HG2 PRO A 570 -4.619 -31.461 18.527 1.00 0.00 H new ATOM 0 HG3 PRO A 570 -6.147 -30.844 17.930 1.00 0.00 H new ATOM 0 HD2 PRO A 570 -3.356 -30.324 16.872 1.00 0.00 H new ATOM 0 HD3 PRO A 570 -4.834 -30.603 15.972 1.00 0.00 H new ATOM 340 N VAL A 571 -5.057 -26.216 19.654 1.00 0.00 N ATOM 341 CA VAL A 571 -4.394 -25.074 20.326 1.00 0.00 C ATOM 342 C VAL A 571 -3.232 -25.571 21.214 1.00 0.00 C ATOM 343 O VAL A 571 -2.204 -24.899 21.355 1.00 0.00 O ATOM 344 CB VAL A 571 -5.409 -24.184 21.159 1.00 0.00 C ATOM 345 CG1 VAL A 571 -6.184 -25.006 22.221 1.00 0.00 C ATOM 346 CG2 VAL A 571 -4.690 -22.975 21.810 1.00 0.00 C ATOM 0 H VAL A 571 -6.014 -26.384 19.965 1.00 0.00 H new ATOM 0 HA VAL A 571 -3.989 -24.431 19.544 1.00 0.00 H new ATOM 0 HB VAL A 571 -6.146 -23.804 20.451 1.00 0.00 H new ATOM 0 HG11 VAL A 571 -6.865 -24.350 22.763 1.00 0.00 H new ATOM 0 HG12 VAL A 571 -6.754 -25.793 21.727 1.00 0.00 H new ATOM 0 HG13 VAL A 571 -5.478 -25.454 22.920 1.00 0.00 H new ATOM 0 HG21 VAL A 571 -5.411 -22.384 22.374 1.00 0.00 H new ATOM 0 HG22 VAL A 571 -3.910 -23.334 22.482 1.00 0.00 H new ATOM 0 HG23 VAL A 571 -4.242 -22.356 21.032 1.00 0.00 H new ATOM 356 N ASN A 572 -3.397 -26.795 21.745 1.00 0.00 N ATOM 357 CA ASN A 572 -2.413 -27.454 22.622 1.00 0.00 C ATOM 358 C ASN A 572 -1.161 -27.929 21.848 1.00 0.00 C ATOM 359 O ASN A 572 -0.171 -28.337 22.465 1.00 0.00 O ATOM 360 CB ASN A 572 -3.105 -28.636 23.363 1.00 0.00 C ATOM 361 CG ASN A 572 -4.274 -28.169 24.245 1.00 0.00 C ATOM 362 OD1 ASN A 572 -4.231 -27.091 24.835 1.00 0.00 O ATOM 363 ND2 ASN A 572 -5.326 -28.960 24.327 1.00 0.00 N ATOM 0 H ASN A 572 -4.228 -27.362 21.575 1.00 0.00 H new ATOM 0 HA ASN A 572 -2.057 -26.726 23.351 1.00 0.00 H new ATOM 0 HB2 ASN A 572 -3.471 -29.356 22.631 1.00 0.00 H new ATOM 0 HB3 ASN A 572 -2.371 -29.154 23.981 1.00 0.00 H new ATOM 0 HD21 ASN A 572 -6.130 -28.683 24.890 1.00 0.00 H new ATOM 0 HD22 ASN A 572 -5.336 -29.849 23.827 1.00 0.00 H new ATOM 370 N THR A 573 -1.225 -27.893 20.496 1.00 0.00 N ATOM 371 CA THR A 573 -0.060 -28.122 19.625 1.00 0.00 C ATOM 372 C THR A 573 0.932 -26.942 19.789 1.00 0.00 C ATOM 373 O THR A 573 0.571 -25.805 19.480 1.00 0.00 O ATOM 374 CB THR A 573 -0.500 -28.248 18.123 1.00 0.00 C ATOM 375 OG1 THR A 573 -1.481 -29.290 18.009 1.00 0.00 O ATOM 376 CG2 THR A 573 0.684 -28.536 17.166 1.00 0.00 C ATOM 0 H THR A 573 -2.087 -27.704 19.984 1.00 0.00 H new ATOM 0 HA THR A 573 0.422 -29.056 19.915 1.00 0.00 H new ATOM 0 HB THR A 573 -0.917 -27.287 17.823 1.00 0.00 H new ATOM 0 HG1 THR A 573 -1.227 -29.901 17.286 1.00 0.00 H new ATOM 0 HG21 THR A 573 0.315 -28.612 16.143 1.00 0.00 H new ATOM 0 HG22 THR A 573 1.410 -27.725 17.231 1.00 0.00 H new ATOM 0 HG23 THR A 573 1.162 -29.474 17.450 1.00 0.00 H new ATOM 384 N PRO A 574 2.191 -27.181 20.291 1.00 0.00 N ATOM 385 CA PRO A 574 3.199 -26.102 20.456 1.00 0.00 C ATOM 386 C PRO A 574 3.774 -25.630 19.098 1.00 0.00 C ATOM 387 O PRO A 574 4.317 -24.528 18.988 1.00 0.00 O ATOM 388 CB PRO A 574 4.282 -26.766 21.342 1.00 0.00 C ATOM 389 CG PRO A 574 4.194 -28.226 21.013 1.00 0.00 C ATOM 390 CD PRO A 574 2.728 -28.503 20.739 1.00 0.00 C ATOM 0 HA PRO A 574 2.782 -25.198 20.899 1.00 0.00 H new ATOM 0 HB2 PRO A 574 5.273 -26.369 21.122 1.00 0.00 H new ATOM 0 HB3 PRO A 574 4.094 -26.586 22.400 1.00 0.00 H new ATOM 0 HG2 PRO A 574 4.806 -28.468 20.144 1.00 0.00 H new ATOM 0 HG3 PRO A 574 4.559 -28.835 21.840 1.00 0.00 H new ATOM 0 HD2 PRO A 574 2.602 -29.266 19.971 1.00 0.00 H new ATOM 0 HD3 PRO A 574 2.215 -28.861 21.632 1.00 0.00 H new ATOM 398 N GLU A 575 3.616 -26.479 18.068 1.00 0.00 N ATOM 399 CA GLU A 575 4.083 -26.211 16.694 1.00 0.00 C ATOM 400 C GLU A 575 2.970 -25.566 15.843 1.00 0.00 C ATOM 401 O GLU A 575 3.180 -25.349 14.645 1.00 0.00 O ATOM 402 CB GLU A 575 4.510 -27.547 16.028 1.00 0.00 C ATOM 403 CG GLU A 575 5.544 -28.374 16.809 1.00 0.00 C ATOM 404 CD GLU A 575 5.879 -29.704 16.110 1.00 0.00 C ATOM 405 OE1 GLU A 575 5.075 -30.660 16.222 1.00 0.00 O ATOM 406 OE2 GLU A 575 6.924 -29.795 15.427 1.00 0.00 O ATOM 0 H GLU A 575 3.154 -27.383 18.166 1.00 0.00 H new ATOM 0 HA GLU A 575 4.926 -25.522 16.749 1.00 0.00 H new ATOM 0 HB2 GLU A 575 3.620 -28.158 15.877 1.00 0.00 H new ATOM 0 HB3 GLU A 575 4.917 -27.327 15.041 1.00 0.00 H new ATOM 0 HG2 GLU A 575 6.456 -27.790 16.930 1.00 0.00 H new ATOM 0 HG3 GLU A 575 5.162 -28.578 17.809 1.00 0.00 H new ATOM 413 N ARG A 576 1.811 -25.246 16.481 1.00 0.00 N ATOM 414 CA ARG A 576 0.552 -24.897 15.773 1.00 0.00 C ATOM 415 C ARG A 576 0.766 -23.802 14.720 1.00 0.00 C ATOM 416 O ARG A 576 0.614 -24.041 13.526 1.00 0.00 O ATOM 417 CB ARG A 576 -0.551 -24.422 16.769 1.00 0.00 C ATOM 418 CG ARG A 576 -1.962 -24.366 16.139 1.00 0.00 C ATOM 419 CD ARG A 576 -3.003 -23.661 17.016 1.00 0.00 C ATOM 420 NE ARG A 576 -4.375 -24.028 16.620 1.00 0.00 N ATOM 421 CZ ARG A 576 -5.498 -23.566 17.179 1.00 0.00 C ATOM 422 NH1 ARG A 576 -5.469 -22.569 18.060 1.00 0.00 N ATOM 423 NH2 ARG A 576 -6.655 -24.092 16.830 1.00 0.00 N ATOM 0 H ARG A 576 1.725 -25.223 17.497 1.00 0.00 H new ATOM 0 HA ARG A 576 0.226 -25.810 15.274 1.00 0.00 H new ATOM 0 HB2 ARG A 576 -0.570 -25.095 17.627 1.00 0.00 H new ATOM 0 HB3 ARG A 576 -0.289 -23.433 17.145 1.00 0.00 H new ATOM 0 HG2 ARG A 576 -1.901 -23.853 15.179 1.00 0.00 H new ATOM 0 HG3 ARG A 576 -2.300 -25.382 15.936 1.00 0.00 H new ATOM 0 HD2 ARG A 576 -2.841 -23.926 18.061 1.00 0.00 H new ATOM 0 HD3 ARG A 576 -2.876 -22.581 16.938 1.00 0.00 H new ATOM 0 HE ARG A 576 -4.476 -24.692 15.853 1.00 0.00 H new ATOM 0 HH11 ARG A 576 -4.579 -22.144 18.320 1.00 0.00 H new ATOM 0 HH12 ARG A 576 -6.337 -22.230 18.476 1.00 0.00 H new ATOM 0 HH21 ARG A 576 -6.687 -24.843 16.141 1.00 0.00 H new ATOM 0 HH22 ARG A 576 -7.519 -23.748 17.249 1.00 0.00 H new ATOM 437 N TRP A 577 1.210 -22.634 15.197 1.00 0.00 N ATOM 438 CA TRP A 577 1.276 -21.395 14.405 1.00 0.00 C ATOM 439 C TRP A 577 2.425 -21.450 13.374 1.00 0.00 C ATOM 440 O TRP A 577 2.349 -20.808 12.321 1.00 0.00 O ATOM 441 CB TRP A 577 1.402 -20.178 15.361 1.00 0.00 C ATOM 442 CG TRP A 577 0.350 -20.174 16.457 1.00 0.00 C ATOM 443 CD1 TRP A 577 0.515 -20.550 17.766 1.00 0.00 C ATOM 444 CD2 TRP A 577 -1.036 -19.808 16.324 1.00 0.00 C ATOM 445 NE1 TRP A 577 -0.672 -20.435 18.445 1.00 0.00 N ATOM 446 CE2 TRP A 577 -1.640 -19.987 17.584 1.00 0.00 C ATOM 447 CE3 TRP A 577 -1.820 -19.355 15.265 1.00 0.00 C ATOM 448 CZ2 TRP A 577 -2.991 -19.721 17.809 1.00 0.00 C ATOM 449 CZ3 TRP A 577 -3.157 -19.093 15.486 1.00 0.00 C ATOM 450 CH2 TRP A 577 -3.733 -19.283 16.746 1.00 0.00 C ATOM 0 H TRP A 577 1.538 -22.518 16.156 1.00 0.00 H new ATOM 0 HA TRP A 577 0.356 -21.285 13.831 1.00 0.00 H new ATOM 0 HB2 TRP A 577 2.393 -20.181 15.816 1.00 0.00 H new ATOM 0 HB3 TRP A 577 1.320 -19.258 14.782 1.00 0.00 H new ATOM 0 HD1 TRP A 577 1.445 -20.888 18.199 1.00 0.00 H new ATOM 0 HE1 TRP A 577 -0.812 -20.649 19.433 1.00 0.00 H new ATOM 0 HE3 TRP A 577 -1.388 -19.211 14.286 1.00 0.00 H new ATOM 0 HZ2 TRP A 577 -3.434 -19.856 18.785 1.00 0.00 H new ATOM 0 HZ3 TRP A 577 -3.769 -18.735 14.671 1.00 0.00 H new ATOM 0 HH2 TRP A 577 -4.785 -19.080 16.883 1.00 0.00 H new ATOM 461 N LYS A 578 3.469 -22.250 13.674 1.00 0.00 N ATOM 462 CA LYS A 578 4.578 -22.518 12.725 1.00 0.00 C ATOM 463 C LYS A 578 4.075 -23.346 11.521 1.00 0.00 C ATOM 464 O LYS A 578 4.473 -23.120 10.375 1.00 0.00 O ATOM 465 CB LYS A 578 5.737 -23.271 13.426 1.00 0.00 C ATOM 466 CG LYS A 578 6.419 -22.511 14.587 1.00 0.00 C ATOM 467 CD LYS A 578 6.963 -21.121 14.164 1.00 0.00 C ATOM 468 CE LYS A 578 7.976 -20.538 15.163 1.00 0.00 C ATOM 469 NZ LYS A 578 7.453 -20.502 16.552 1.00 0.00 N ATOM 0 H LYS A 578 3.570 -22.726 14.571 1.00 0.00 H new ATOM 0 HA LYS A 578 4.949 -21.557 12.368 1.00 0.00 H new ATOM 0 HB2 LYS A 578 5.353 -24.216 13.810 1.00 0.00 H new ATOM 0 HB3 LYS A 578 6.493 -23.513 12.680 1.00 0.00 H new ATOM 0 HG2 LYS A 578 5.704 -22.383 15.400 1.00 0.00 H new ATOM 0 HG3 LYS A 578 7.240 -23.113 14.976 1.00 0.00 H new ATOM 0 HD2 LYS A 578 7.435 -21.205 13.185 1.00 0.00 H new ATOM 0 HD3 LYS A 578 6.128 -20.428 14.057 1.00 0.00 H new ATOM 0 HE2 LYS A 578 8.889 -21.133 15.138 1.00 0.00 H new ATOM 0 HE3 LYS A 578 8.245 -19.528 14.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 578 8.147 -20.039 17.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 578 6.560 -19.969 16.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 578 7.285 -21.473 16.885 1.00 0.00 H new ATOM 483 N LYS A 579 3.195 -24.310 11.812 1.00 0.00 N ATOM 484 CA LYS A 579 2.567 -25.169 10.792 1.00 0.00 C ATOM 485 C LYS A 579 1.418 -24.431 10.077 1.00 0.00 C ATOM 486 O LYS A 579 1.030 -24.798 8.968 1.00 0.00 O ATOM 487 CB LYS A 579 2.084 -26.483 11.453 1.00 0.00 C ATOM 488 CG LYS A 579 3.233 -27.375 11.965 1.00 0.00 C ATOM 489 CD LYS A 579 2.760 -28.660 12.686 1.00 0.00 C ATOM 490 CE LYS A 579 3.930 -29.633 12.947 1.00 0.00 C ATOM 491 NZ LYS A 579 3.498 -30.900 13.588 1.00 0.00 N ATOM 0 H LYS A 579 2.895 -24.520 12.764 1.00 0.00 H new ATOM 0 HA LYS A 579 3.303 -25.417 10.028 1.00 0.00 H new ATOM 0 HB2 LYS A 579 1.425 -26.240 12.286 1.00 0.00 H new ATOM 0 HB3 LYS A 579 1.492 -27.046 10.732 1.00 0.00 H new ATOM 0 HG2 LYS A 579 3.865 -27.655 11.122 1.00 0.00 H new ATOM 0 HG3 LYS A 579 3.853 -26.795 12.648 1.00 0.00 H new ATOM 0 HD2 LYS A 579 2.290 -28.394 13.633 1.00 0.00 H new ATOM 0 HD3 LYS A 579 2.001 -29.157 12.082 1.00 0.00 H new ATOM 0 HE2 LYS A 579 4.424 -29.860 12.002 1.00 0.00 H new ATOM 0 HE3 LYS A 579 4.668 -29.143 13.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 579 3.953 -30.991 14.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 579 2.465 -30.894 13.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 579 3.773 -31.704 12.988 1.00 0.00 H new ATOM 505 N ILE A 580 0.879 -23.389 10.743 1.00 0.00 N ATOM 506 CA ILE A 580 -0.100 -22.452 10.149 1.00 0.00 C ATOM 507 C ILE A 580 0.608 -21.493 9.166 1.00 0.00 C ATOM 508 O ILE A 580 -0.005 -21.007 8.232 1.00 0.00 O ATOM 509 CB ILE A 580 -0.896 -21.673 11.280 1.00 0.00 C ATOM 510 CG1 ILE A 580 -1.819 -22.670 12.058 1.00 0.00 C ATOM 511 CG2 ILE A 580 -1.708 -20.470 10.736 1.00 0.00 C ATOM 512 CD1 ILE A 580 -2.633 -22.075 13.188 1.00 0.00 C ATOM 0 H ILE A 580 1.111 -23.172 11.712 1.00 0.00 H new ATOM 0 HA ILE A 580 -0.836 -23.021 9.581 1.00 0.00 H new ATOM 0 HB ILE A 580 -0.159 -21.250 11.962 1.00 0.00 H new ATOM 0 HG12 ILE A 580 -2.504 -23.131 11.346 1.00 0.00 H new ATOM 0 HG13 ILE A 580 -1.198 -23.468 12.465 1.00 0.00 H new ATOM 0 HG21 ILE A 580 -2.229 -19.980 11.559 1.00 0.00 H new ATOM 0 HG22 ILE A 580 -1.032 -19.760 10.261 1.00 0.00 H new ATOM 0 HG23 ILE A 580 -2.436 -20.823 10.005 1.00 0.00 H new ATOM 0 HD11 ILE A 580 -3.234 -22.856 13.654 1.00 0.00 H new ATOM 0 HD12 ILE A 580 -1.963 -21.641 13.930 1.00 0.00 H new ATOM 0 HD13 ILE A 580 -3.289 -21.299 12.794 1.00 0.00 H new ATOM 524 N ALA A 581 1.911 -21.235 9.383 1.00 0.00 N ATOM 525 CA ALA A 581 2.755 -20.498 8.403 1.00 0.00 C ATOM 526 C ALA A 581 2.847 -21.258 7.062 1.00 0.00 C ATOM 527 O ALA A 581 2.861 -20.655 5.984 1.00 0.00 O ATOM 528 CB ALA A 581 4.170 -20.265 8.966 1.00 0.00 C ATOM 0 H ALA A 581 2.409 -21.523 10.225 1.00 0.00 H new ATOM 0 HA ALA A 581 2.281 -19.533 8.224 1.00 0.00 H new ATOM 0 HB1 ALA A 581 4.769 -19.725 8.233 1.00 0.00 H new ATOM 0 HB2 ALA A 581 4.105 -19.680 9.883 1.00 0.00 H new ATOM 0 HB3 ALA A 581 4.639 -21.225 9.181 1.00 0.00 H new ATOM 534 N GLU A 582 2.917 -22.590 7.165 1.00 0.00 N ATOM 535 CA GLU A 582 3.025 -23.499 6.011 1.00 0.00 C ATOM 536 C GLU A 582 1.656 -23.687 5.332 1.00 0.00 C ATOM 537 O GLU A 582 1.568 -23.777 4.097 1.00 0.00 O ATOM 538 CB GLU A 582 3.607 -24.846 6.495 1.00 0.00 C ATOM 539 CG GLU A 582 5.027 -24.713 7.086 1.00 0.00 C ATOM 540 CD GLU A 582 5.523 -25.972 7.803 1.00 0.00 C ATOM 541 OE1 GLU A 582 5.832 -26.977 7.122 1.00 0.00 O ATOM 542 OE2 GLU A 582 5.623 -25.962 9.052 1.00 0.00 O ATOM 0 H GLU A 582 2.900 -23.076 8.062 1.00 0.00 H new ATOM 0 HA GLU A 582 3.693 -23.070 5.264 1.00 0.00 H new ATOM 0 HB2 GLU A 582 2.944 -25.272 7.249 1.00 0.00 H new ATOM 0 HB3 GLU A 582 3.631 -25.546 5.660 1.00 0.00 H new ATOM 0 HG2 GLU A 582 5.722 -24.467 6.283 1.00 0.00 H new ATOM 0 HG3 GLU A 582 5.041 -23.879 7.787 1.00 0.00 H new ATOM 549 N ALA A 583 0.597 -23.732 6.157 1.00 0.00 N ATOM 550 CA ALA A 583 -0.791 -23.873 5.685 1.00 0.00 C ATOM 551 C ALA A 583 -1.325 -22.545 5.110 1.00 0.00 C ATOM 552 O ALA A 583 -2.170 -22.540 4.207 1.00 0.00 O ATOM 553 CB ALA A 583 -1.684 -24.370 6.831 1.00 0.00 C ATOM 0 H ALA A 583 0.679 -23.672 7.172 1.00 0.00 H new ATOM 0 HA ALA A 583 -0.808 -24.607 4.880 1.00 0.00 H new ATOM 0 HB1 ALA A 583 -2.709 -24.472 6.475 1.00 0.00 H new ATOM 0 HB2 ALA A 583 -1.323 -25.337 7.180 1.00 0.00 H new ATOM 0 HB3 ALA A 583 -1.655 -23.654 7.652 1.00 0.00 H new ATOM 559 N VAL A 584 -0.813 -21.419 5.647 1.00 0.00 N ATOM 560 CA VAL A 584 -1.262 -20.057 5.295 1.00 0.00 C ATOM 561 C VAL A 584 -0.019 -19.183 4.983 1.00 0.00 C ATOM 562 O VAL A 584 0.527 -18.524 5.883 1.00 0.00 O ATOM 563 CB VAL A 584 -2.098 -19.379 6.458 1.00 0.00 C ATOM 564 CG1 VAL A 584 -2.912 -18.185 5.940 1.00 0.00 C ATOM 565 CG2 VAL A 584 -3.005 -20.389 7.183 1.00 0.00 C ATOM 0 H VAL A 584 -0.069 -21.430 6.344 1.00 0.00 H new ATOM 0 HA VAL A 584 -1.914 -20.135 4.425 1.00 0.00 H new ATOM 0 HB VAL A 584 -1.379 -19.007 7.187 1.00 0.00 H new ATOM 0 HG11 VAL A 584 -3.474 -17.743 6.763 1.00 0.00 H new ATOM 0 HG12 VAL A 584 -2.237 -17.439 5.520 1.00 0.00 H new ATOM 0 HG13 VAL A 584 -3.604 -18.524 5.169 1.00 0.00 H new ATOM 0 HG21 VAL A 584 -3.559 -19.880 7.972 1.00 0.00 H new ATOM 0 HG22 VAL A 584 -3.706 -20.825 6.471 1.00 0.00 H new ATOM 0 HG23 VAL A 584 -2.394 -21.178 7.620 1.00 0.00 H new ATOM 575 N PRO A 585 0.506 -19.225 3.718 1.00 0.00 N ATOM 576 CA PRO A 585 1.658 -18.390 3.300 1.00 0.00 C ATOM 577 C PRO A 585 1.276 -16.899 3.158 1.00 0.00 C ATOM 578 O PRO A 585 0.105 -16.564 2.926 1.00 0.00 O ATOM 579 CB PRO A 585 2.094 -19.014 1.936 1.00 0.00 C ATOM 580 CG PRO A 585 1.342 -20.315 1.845 1.00 0.00 C ATOM 581 CD PRO A 585 0.058 -20.094 2.608 1.00 0.00 C ATOM 0 HA PRO A 585 2.461 -18.392 4.037 1.00 0.00 H new ATOM 0 HB2 PRO A 585 1.846 -18.356 1.103 1.00 0.00 H new ATOM 0 HB3 PRO A 585 3.171 -19.178 1.903 1.00 0.00 H new ATOM 0 HG2 PRO A 585 1.141 -20.580 0.807 1.00 0.00 H new ATOM 0 HG3 PRO A 585 1.919 -21.133 2.277 1.00 0.00 H new ATOM 0 HD2 PRO A 585 -0.703 -19.612 1.995 1.00 0.00 H new ATOM 0 HD3 PRO A 585 -0.368 -21.030 2.969 1.00 0.00 H new ATOM 589 N GLY A 586 2.280 -16.017 3.314 1.00 0.00 N ATOM 590 CA GLY A 586 2.094 -14.568 3.150 1.00 0.00 C ATOM 591 C GLY A 586 1.379 -13.883 4.319 1.00 0.00 C ATOM 592 O GLY A 586 1.012 -12.704 4.215 1.00 0.00 O ATOM 0 H GLY A 586 3.234 -16.287 3.555 1.00 0.00 H new ATOM 0 HA2 GLY A 586 3.070 -14.102 3.014 1.00 0.00 H new ATOM 0 HA3 GLY A 586 1.526 -14.388 2.237 1.00 0.00 H new ATOM 596 N ARG A 587 1.172 -14.616 5.434 1.00 0.00 N ATOM 597 CA ARG A 587 0.443 -14.122 6.627 1.00 0.00 C ATOM 598 C ARG A 587 1.283 -14.372 7.883 1.00 0.00 C ATOM 599 O ARG A 587 1.903 -15.431 7.995 1.00 0.00 O ATOM 600 CB ARG A 587 -0.932 -14.836 6.756 1.00 0.00 C ATOM 601 CG ARG A 587 -1.843 -14.715 5.514 1.00 0.00 C ATOM 602 CD ARG A 587 -2.259 -13.272 5.198 1.00 0.00 C ATOM 603 NE ARG A 587 -2.882 -13.177 3.863 1.00 0.00 N ATOM 604 CZ ARG A 587 -2.426 -12.438 2.838 1.00 0.00 C ATOM 605 NH1 ARG A 587 -1.371 -11.636 2.988 1.00 0.00 N ATOM 606 NH2 ARG A 587 -3.027 -12.516 1.664 1.00 0.00 N ATOM 0 H ARG A 587 1.507 -15.574 5.534 1.00 0.00 H new ATOM 0 HA ARG A 587 0.269 -13.052 6.517 1.00 0.00 H new ATOM 0 HB2 ARG A 587 -0.759 -15.892 6.961 1.00 0.00 H new ATOM 0 HB3 ARG A 587 -1.459 -14.426 7.617 1.00 0.00 H new ATOM 0 HG2 ARG A 587 -1.324 -15.132 4.651 1.00 0.00 H new ATOM 0 HG3 ARG A 587 -2.738 -15.317 5.670 1.00 0.00 H new ATOM 0 HD2 ARG A 587 -2.959 -12.918 5.955 1.00 0.00 H new ATOM 0 HD3 ARG A 587 -1.386 -12.621 5.242 1.00 0.00 H new ATOM 0 HE ARG A 587 -3.732 -13.719 3.705 1.00 0.00 H new ATOM 0 HH11 ARG A 587 -0.899 -11.578 3.890 1.00 0.00 H new ATOM 0 HH12 ARG A 587 -1.036 -11.081 2.200 1.00 0.00 H new ATOM 0 HH21 ARG A 587 -3.830 -13.133 1.542 1.00 0.00 H new ATOM 0 HH22 ARG A 587 -2.688 -11.959 0.880 1.00 0.00 H new ATOM 620 N THR A 588 1.299 -13.408 8.820 1.00 0.00 N ATOM 621 CA THR A 588 2.110 -13.508 10.048 1.00 0.00 C ATOM 622 C THR A 588 1.334 -14.233 11.161 1.00 0.00 C ATOM 623 O THR A 588 0.097 -14.227 11.181 1.00 0.00 O ATOM 624 CB THR A 588 2.577 -12.104 10.560 1.00 0.00 C ATOM 625 OG1 THR A 588 1.450 -11.349 11.018 1.00 0.00 O ATOM 626 CG2 THR A 588 3.326 -11.306 9.477 1.00 0.00 C ATOM 0 H THR A 588 0.757 -12.547 8.750 1.00 0.00 H new ATOM 0 HA THR A 588 2.997 -14.087 9.792 1.00 0.00 H new ATOM 0 HB THR A 588 3.271 -12.276 11.383 1.00 0.00 H new ATOM 0 HG1 THR A 588 1.076 -10.835 10.272 1.00 0.00 H new ATOM 0 HG21 THR A 588 3.629 -10.340 9.881 1.00 0.00 H new ATOM 0 HG22 THR A 588 4.210 -11.861 9.162 1.00 0.00 H new ATOM 0 HG23 THR A 588 2.670 -11.151 8.620 1.00 0.00 H new ATOM 634 N LYS A 589 2.086 -14.854 12.083 1.00 0.00 N ATOM 635 CA LYS A 589 1.525 -15.658 13.185 1.00 0.00 C ATOM 636 C LYS A 589 0.784 -14.771 14.194 1.00 0.00 C ATOM 637 O LYS A 589 -0.185 -15.217 14.802 1.00 0.00 O ATOM 638 CB LYS A 589 2.638 -16.488 13.894 1.00 0.00 C ATOM 639 CG LYS A 589 3.146 -17.772 13.167 1.00 0.00 C ATOM 640 CD LYS A 589 3.846 -17.540 11.798 1.00 0.00 C ATOM 641 CE LYS A 589 2.875 -17.470 10.592 1.00 0.00 C ATOM 642 NZ LYS A 589 3.573 -17.044 9.355 1.00 0.00 N ATOM 0 H LYS A 589 3.105 -14.814 12.087 1.00 0.00 H new ATOM 0 HA LYS A 589 0.805 -16.354 12.755 1.00 0.00 H new ATOM 0 HB2 LYS A 589 3.494 -15.833 14.059 1.00 0.00 H new ATOM 0 HB3 LYS A 589 2.266 -16.781 14.876 1.00 0.00 H new ATOM 0 HG2 LYS A 589 3.842 -18.289 13.827 1.00 0.00 H new ATOM 0 HG3 LYS A 589 2.298 -18.439 13.012 1.00 0.00 H new ATOM 0 HD2 LYS A 589 4.415 -16.612 11.846 1.00 0.00 H new ATOM 0 HD3 LYS A 589 4.562 -18.344 11.628 1.00 0.00 H new ATOM 0 HE2 LYS A 589 2.418 -18.447 10.435 1.00 0.00 H new ATOM 0 HE3 LYS A 589 2.068 -16.772 10.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 589 3.179 -16.138 9.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 589 4.588 -16.930 9.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 589 3.442 -17.765 8.617 1.00 0.00 H new ATOM 656 N LYS A 590 1.241 -13.511 14.348 1.00 0.00 N ATOM 657 CA LYS A 590 0.587 -12.529 15.234 1.00 0.00 C ATOM 658 C LYS A 590 -0.813 -12.167 14.691 1.00 0.00 C ATOM 659 O LYS A 590 -1.754 -11.971 15.463 1.00 0.00 O ATOM 660 CB LYS A 590 1.470 -11.261 15.410 1.00 0.00 C ATOM 661 CG LYS A 590 1.717 -10.445 14.120 1.00 0.00 C ATOM 662 CD LYS A 590 2.609 -9.199 14.353 1.00 0.00 C ATOM 663 CE LYS A 590 4.039 -9.561 14.786 1.00 0.00 C ATOM 664 NZ LYS A 590 4.737 -10.379 13.764 1.00 0.00 N ATOM 0 H LYS A 590 2.065 -13.150 13.867 1.00 0.00 H new ATOM 0 HA LYS A 590 0.464 -12.980 16.219 1.00 0.00 H new ATOM 0 HB2 LYS A 590 1.000 -10.610 16.148 1.00 0.00 H new ATOM 0 HB3 LYS A 590 2.434 -11.563 15.819 1.00 0.00 H new ATOM 0 HG2 LYS A 590 2.187 -11.087 13.375 1.00 0.00 H new ATOM 0 HG3 LYS A 590 0.759 -10.127 13.709 1.00 0.00 H new ATOM 0 HD2 LYS A 590 2.650 -8.611 13.436 1.00 0.00 H new ATOM 0 HD3 LYS A 590 2.152 -8.569 15.116 1.00 0.00 H new ATOM 0 HE2 LYS A 590 4.605 -8.648 14.968 1.00 0.00 H new ATOM 0 HE3 LYS A 590 4.005 -10.108 15.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 590 5.740 -10.473 14.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 590 4.301 -11.322 13.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 590 4.659 -9.916 12.836 1.00 0.00 H new ATOM 678 N ASP A 591 -0.928 -12.108 13.348 1.00 0.00 N ATOM 679 CA ASP A 591 -2.215 -11.905 12.649 1.00 0.00 C ATOM 680 C ASP A 591 -3.097 -13.152 12.757 1.00 0.00 C ATOM 681 O ASP A 591 -4.321 -13.032 12.800 1.00 0.00 O ATOM 682 CB ASP A 591 -1.991 -11.541 11.149 1.00 0.00 C ATOM 683 CG ASP A 591 -1.809 -10.037 10.915 1.00 0.00 C ATOM 684 OD1 ASP A 591 -2.817 -9.308 10.954 1.00 0.00 O ATOM 685 OD2 ASP A 591 -0.675 -9.580 10.697 1.00 0.00 O ATOM 0 H ASP A 591 -0.132 -12.200 12.717 1.00 0.00 H new ATOM 0 HA ASP A 591 -2.723 -11.072 13.134 1.00 0.00 H new ATOM 0 HB2 ASP A 591 -1.111 -12.069 10.781 1.00 0.00 H new ATOM 0 HB3 ASP A 591 -2.841 -11.893 10.565 1.00 0.00 H new ATOM 690 N CYS A 592 -2.465 -14.342 12.750 1.00 0.00 N ATOM 691 CA CYS A 592 -3.167 -15.638 12.885 1.00 0.00 C ATOM 692 C CYS A 592 -3.821 -15.778 14.275 1.00 0.00 C ATOM 693 O CYS A 592 -4.943 -16.287 14.400 1.00 0.00 O ATOM 694 CB CYS A 592 -2.184 -16.805 12.627 1.00 0.00 C ATOM 695 SG CYS A 592 -1.434 -16.785 10.984 1.00 0.00 S ATOM 0 H CYS A 592 -1.454 -14.434 12.651 1.00 0.00 H new ATOM 0 HA CYS A 592 -3.961 -15.674 12.140 1.00 0.00 H new ATOM 0 HB2 CYS A 592 -1.393 -16.773 13.376 1.00 0.00 H new ATOM 0 HB3 CYS A 592 -2.713 -17.748 12.762 1.00 0.00 H new ATOM 0 HG CYS A 592 -0.789 -15.669 10.815 1.00 0.00 H new ATOM 701 N MET A 593 -3.099 -15.304 15.305 1.00 0.00 N ATOM 702 CA MET A 593 -3.562 -15.311 16.715 1.00 0.00 C ATOM 703 C MET A 593 -4.656 -14.249 16.921 1.00 0.00 C ATOM 704 O MET A 593 -5.633 -14.472 17.639 1.00 0.00 O ATOM 705 CB MET A 593 -2.369 -15.023 17.663 1.00 0.00 C ATOM 706 CG MET A 593 -1.229 -16.048 17.613 1.00 0.00 C ATOM 707 SD MET A 593 0.237 -15.473 18.502 1.00 0.00 S ATOM 708 CE MET A 593 1.498 -16.612 17.925 1.00 0.00 C ATOM 0 H MET A 593 -2.169 -14.901 15.188 1.00 0.00 H new ATOM 0 HA MET A 593 -3.975 -16.293 16.944 1.00 0.00 H new ATOM 0 HB2 MET A 593 -1.963 -14.041 17.421 1.00 0.00 H new ATOM 0 HB3 MET A 593 -2.743 -14.970 18.685 1.00 0.00 H new ATOM 0 HG2 MET A 593 -1.569 -16.990 18.044 1.00 0.00 H new ATOM 0 HG3 MET A 593 -0.968 -16.249 16.574 1.00 0.00 H new ATOM 0 HE1 MET A 593 2.178 -16.848 18.744 1.00 0.00 H new ATOM 0 HE2 MET A 593 1.026 -17.528 17.570 1.00 0.00 H new ATOM 0 HE3 MET A 593 2.058 -16.153 17.110 1.00 0.00 H new ATOM 718 N LYS A 594 -4.449 -13.088 16.279 1.00 0.00 N ATOM 719 CA LYS A 594 -5.406 -11.963 16.276 1.00 0.00 C ATOM 720 C LYS A 594 -6.713 -12.360 15.565 1.00 0.00 C ATOM 721 O LYS A 594 -7.793 -11.990 16.014 1.00 0.00 O ATOM 722 CB LYS A 594 -4.743 -10.718 15.608 1.00 0.00 C ATOM 723 CG LYS A 594 -5.594 -9.410 15.535 1.00 0.00 C ATOM 724 CD LYS A 594 -6.463 -9.270 14.248 1.00 0.00 C ATOM 725 CE LYS A 594 -5.622 -9.286 12.951 1.00 0.00 C ATOM 726 NZ LYS A 594 -4.617 -8.186 12.913 1.00 0.00 N ATOM 0 H LYS A 594 -3.604 -12.899 15.740 1.00 0.00 H new ATOM 0 HA LYS A 594 -5.665 -11.706 17.303 1.00 0.00 H new ATOM 0 HB2 LYS A 594 -3.824 -10.493 16.149 1.00 0.00 H new ATOM 0 HB3 LYS A 594 -4.456 -10.992 14.593 1.00 0.00 H new ATOM 0 HG2 LYS A 594 -6.249 -9.370 16.405 1.00 0.00 H new ATOM 0 HG3 LYS A 594 -4.924 -8.553 15.600 1.00 0.00 H new ATOM 0 HD2 LYS A 594 -7.188 -10.083 14.215 1.00 0.00 H new ATOM 0 HD3 LYS A 594 -7.029 -8.340 14.297 1.00 0.00 H new ATOM 0 HE2 LYS A 594 -5.111 -10.245 12.864 1.00 0.00 H new ATOM 0 HE3 LYS A 594 -6.285 -9.199 12.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 594 -4.011 -8.298 12.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 594 -5.107 -7.270 12.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 594 -4.031 -8.222 13.771 1.00 0.00 H new ATOM 740 N ARG A 595 -6.603 -13.124 14.460 1.00 0.00 N ATOM 741 CA ARG A 595 -7.777 -13.578 13.681 1.00 0.00 C ATOM 742 C ARG A 595 -8.531 -14.637 14.505 1.00 0.00 C ATOM 743 O ARG A 595 -9.752 -14.595 14.598 1.00 0.00 O ATOM 744 CB ARG A 595 -7.366 -14.140 12.273 1.00 0.00 C ATOM 745 CG ARG A 595 -8.307 -13.732 11.104 1.00 0.00 C ATOM 746 CD ARG A 595 -9.762 -14.219 11.257 1.00 0.00 C ATOM 747 NE ARG A 595 -10.680 -13.504 10.340 1.00 0.00 N ATOM 748 CZ ARG A 595 -11.845 -12.922 10.697 1.00 0.00 C ATOM 749 NH1 ARG A 595 -12.303 -13.018 11.944 1.00 0.00 N ATOM 750 NH2 ARG A 595 -12.553 -12.258 9.792 1.00 0.00 N ATOM 0 H ARG A 595 -5.710 -13.442 14.084 1.00 0.00 H new ATOM 0 HA ARG A 595 -8.429 -12.725 13.490 1.00 0.00 H new ATOM 0 HB2 ARG A 595 -6.356 -13.800 12.043 1.00 0.00 H new ATOM 0 HB3 ARG A 595 -7.331 -15.228 12.329 1.00 0.00 H new ATOM 0 HG2 ARG A 595 -8.308 -12.645 11.017 1.00 0.00 H new ATOM 0 HG3 ARG A 595 -7.901 -14.126 10.172 1.00 0.00 H new ATOM 0 HD2 ARG A 595 -9.810 -15.290 11.058 1.00 0.00 H new ATOM 0 HD3 ARG A 595 -10.089 -14.071 12.286 1.00 0.00 H new ATOM 0 HE ARG A 595 -10.410 -13.447 9.358 1.00 0.00 H new ATOM 0 HH11 ARG A 595 -11.772 -13.536 12.644 1.00 0.00 H new ATOM 0 HH12 ARG A 595 -13.185 -12.573 12.199 1.00 0.00 H new ATOM 0 HH21 ARG A 595 -12.217 -12.189 8.832 1.00 0.00 H new ATOM 0 HH22 ARG A 595 -13.434 -11.817 10.057 1.00 0.00 H new ATOM 764 N TYR A 596 -7.758 -15.541 15.135 1.00 0.00 N ATOM 765 CA TYR A 596 -8.279 -16.587 16.047 1.00 0.00 C ATOM 766 C TYR A 596 -9.026 -15.950 17.239 1.00 0.00 C ATOM 767 O TYR A 596 -10.033 -16.487 17.706 1.00 0.00 O ATOM 768 CB TYR A 596 -7.101 -17.467 16.527 1.00 0.00 C ATOM 769 CG TYR A 596 -7.448 -18.611 17.497 1.00 0.00 C ATOM 770 CD1 TYR A 596 -8.380 -19.592 17.151 1.00 0.00 C ATOM 771 CD2 TYR A 596 -6.823 -18.729 18.747 1.00 0.00 C ATOM 772 CE1 TYR A 596 -8.671 -20.641 18.001 1.00 0.00 C ATOM 773 CE2 TYR A 596 -7.110 -19.786 19.596 1.00 0.00 C ATOM 774 CZ TYR A 596 -8.036 -20.733 19.219 1.00 0.00 C ATOM 775 OH TYR A 596 -8.309 -21.794 20.056 1.00 0.00 O ATOM 0 H TYR A 596 -6.744 -15.570 15.027 1.00 0.00 H new ATOM 0 HA TYR A 596 -8.996 -17.213 15.515 1.00 0.00 H new ATOM 0 HB2 TYR A 596 -6.618 -17.898 15.650 1.00 0.00 H new ATOM 0 HB3 TYR A 596 -6.368 -16.821 17.010 1.00 0.00 H new ATOM 0 HD1 TYR A 596 -8.884 -19.529 16.198 1.00 0.00 H new ATOM 0 HD2 TYR A 596 -6.105 -17.983 19.053 1.00 0.00 H new ATOM 0 HE1 TYR A 596 -9.395 -21.388 17.711 1.00 0.00 H new ATOM 0 HE2 TYR A 596 -6.609 -19.867 20.550 1.00 0.00 H new ATOM 0 HH TYR A 596 -7.777 -21.710 20.875 1.00 0.00 H new ATOM 785 N LYS A 597 -8.526 -14.783 17.690 1.00 0.00 N ATOM 786 CA LYS A 597 -9.191 -13.954 18.719 1.00 0.00 C ATOM 787 C LYS A 597 -10.566 -13.484 18.202 1.00 0.00 C ATOM 788 O LYS A 597 -11.581 -13.730 18.841 1.00 0.00 O ATOM 789 CB LYS A 597 -8.297 -12.734 19.089 1.00 0.00 C ATOM 790 CG LYS A 597 -8.955 -11.695 20.029 1.00 0.00 C ATOM 791 CD LYS A 597 -8.070 -10.447 20.270 1.00 0.00 C ATOM 792 CE LYS A 597 -6.735 -10.780 20.962 1.00 0.00 C ATOM 793 NZ LYS A 597 -6.927 -11.374 22.309 1.00 0.00 N ATOM 0 H LYS A 597 -7.649 -14.387 17.352 1.00 0.00 H new ATOM 0 HA LYS A 597 -9.341 -14.552 19.618 1.00 0.00 H new ATOM 0 HB2 LYS A 597 -7.386 -13.102 19.561 1.00 0.00 H new ATOM 0 HB3 LYS A 597 -7.999 -12.231 18.169 1.00 0.00 H new ATOM 0 HG2 LYS A 597 -9.908 -11.381 19.603 1.00 0.00 H new ATOM 0 HG3 LYS A 597 -9.174 -12.168 20.986 1.00 0.00 H new ATOM 0 HD2 LYS A 597 -7.867 -9.963 19.315 1.00 0.00 H new ATOM 0 HD3 LYS A 597 -8.620 -9.731 20.880 1.00 0.00 H new ATOM 0 HE2 LYS A 597 -6.170 -11.474 20.340 1.00 0.00 H new ATOM 0 HE3 LYS A 597 -6.138 -9.872 21.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 597 -6.002 -11.502 22.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 597 -7.515 -10.741 22.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 597 -7.398 -12.297 22.218 1.00 0.00 H new ATOM 807 N GLU A 598 -10.572 -12.859 17.001 1.00 0.00 N ATOM 808 CA GLU A 598 -11.804 -12.374 16.326 1.00 0.00 C ATOM 809 C GLU A 598 -12.875 -13.486 16.249 1.00 0.00 C ATOM 810 O GLU A 598 -14.050 -13.244 16.520 1.00 0.00 O ATOM 811 CB GLU A 598 -11.476 -11.887 14.888 1.00 0.00 C ATOM 812 CG GLU A 598 -10.438 -10.751 14.785 1.00 0.00 C ATOM 813 CD GLU A 598 -10.954 -9.382 15.251 1.00 0.00 C ATOM 814 OE1 GLU A 598 -11.517 -8.633 14.417 1.00 0.00 O ATOM 815 OE2 GLU A 598 -10.814 -9.047 16.445 1.00 0.00 O ATOM 0 H GLU A 598 -9.721 -12.675 16.470 1.00 0.00 H new ATOM 0 HA GLU A 598 -12.197 -11.546 16.916 1.00 0.00 H new ATOM 0 HB2 GLU A 598 -11.114 -12.738 14.310 1.00 0.00 H new ATOM 0 HB3 GLU A 598 -12.401 -11.552 14.418 1.00 0.00 H new ATOM 0 HG2 GLU A 598 -9.564 -11.018 15.378 1.00 0.00 H new ATOM 0 HG3 GLU A 598 -10.108 -10.669 13.750 1.00 0.00 H new ATOM 822 N LEU A 599 -12.422 -14.716 15.928 1.00 0.00 N ATOM 823 CA LEU A 599 -13.306 -15.891 15.758 1.00 0.00 C ATOM 824 C LEU A 599 -13.996 -16.263 17.078 1.00 0.00 C ATOM 825 O LEU A 599 -15.228 -16.320 17.140 1.00 0.00 O ATOM 826 CB LEU A 599 -12.503 -17.100 15.202 1.00 0.00 C ATOM 827 CG LEU A 599 -11.761 -16.832 13.859 1.00 0.00 C ATOM 828 CD1 LEU A 599 -10.955 -18.050 13.386 1.00 0.00 C ATOM 829 CD2 LEU A 599 -12.719 -16.334 12.768 1.00 0.00 C ATOM 0 H LEU A 599 -11.434 -14.924 15.779 1.00 0.00 H new ATOM 0 HA LEU A 599 -14.081 -15.627 15.038 1.00 0.00 H new ATOM 0 HB2 LEU A 599 -11.771 -17.406 15.950 1.00 0.00 H new ATOM 0 HB3 LEU A 599 -13.186 -17.938 15.062 1.00 0.00 H new ATOM 0 HG LEU A 599 -11.045 -16.034 14.054 1.00 0.00 H new ATOM 0 HD11 LEU A 599 -10.456 -17.813 12.446 1.00 0.00 H new ATOM 0 HD12 LEU A 599 -10.209 -18.307 14.138 1.00 0.00 H new ATOM 0 HD13 LEU A 599 -11.627 -18.895 13.237 1.00 0.00 H new ATOM 0 HD21 LEU A 599 -12.162 -16.159 11.847 1.00 0.00 H new ATOM 0 HD22 LEU A 599 -13.489 -17.085 12.589 1.00 0.00 H new ATOM 0 HD23 LEU A 599 -13.187 -15.404 13.091 1.00 0.00 H new ATOM 841 N VAL A 600 -13.182 -16.465 18.130 1.00 0.00 N ATOM 842 CA VAL A 600 -13.669 -16.851 19.474 1.00 0.00 C ATOM 843 C VAL A 600 -14.624 -15.775 20.034 1.00 0.00 C ATOM 844 O VAL A 600 -15.715 -16.093 20.511 1.00 0.00 O ATOM 845 CB VAL A 600 -12.467 -17.087 20.469 1.00 0.00 C ATOM 846 CG1 VAL A 600 -12.955 -17.356 21.914 1.00 0.00 C ATOM 847 CG2 VAL A 600 -11.558 -18.242 19.972 1.00 0.00 C ATOM 0 H VAL A 600 -12.168 -16.366 18.076 1.00 0.00 H new ATOM 0 HA VAL A 600 -14.216 -17.788 19.375 1.00 0.00 H new ATOM 0 HB VAL A 600 -11.880 -16.169 20.490 1.00 0.00 H new ATOM 0 HG11 VAL A 600 -12.095 -17.513 22.565 1.00 0.00 H new ATOM 0 HG12 VAL A 600 -13.528 -16.500 22.270 1.00 0.00 H new ATOM 0 HG13 VAL A 600 -13.586 -18.245 21.925 1.00 0.00 H new ATOM 0 HG21 VAL A 600 -10.737 -18.386 20.674 1.00 0.00 H new ATOM 0 HG22 VAL A 600 -12.141 -19.160 19.903 1.00 0.00 H new ATOM 0 HG23 VAL A 600 -11.157 -17.992 18.990 1.00 0.00 H new ATOM 857 N GLU A 601 -14.193 -14.511 19.904 1.00 0.00 N ATOM 858 CA GLU A 601 -14.938 -13.313 20.339 1.00 0.00 C ATOM 859 C GLU A 601 -16.325 -13.192 19.655 1.00 0.00 C ATOM 860 O GLU A 601 -17.299 -12.805 20.307 1.00 0.00 O ATOM 861 CB GLU A 601 -14.066 -12.030 20.107 1.00 0.00 C ATOM 862 CG GLU A 601 -13.162 -11.598 21.302 1.00 0.00 C ATOM 863 CD GLU A 601 -12.518 -12.759 22.098 1.00 0.00 C ATOM 864 OE1 GLU A 601 -11.530 -13.360 21.627 1.00 0.00 O ATOM 865 OE2 GLU A 601 -12.986 -13.068 23.218 1.00 0.00 O ATOM 0 H GLU A 601 -13.292 -14.285 19.482 1.00 0.00 H new ATOM 0 HA GLU A 601 -15.139 -13.415 21.405 1.00 0.00 H new ATOM 0 HB2 GLU A 601 -13.430 -12.198 19.238 1.00 0.00 H new ATOM 0 HB3 GLU A 601 -14.730 -11.202 19.861 1.00 0.00 H new ATOM 0 HG2 GLU A 601 -12.368 -10.956 20.922 1.00 0.00 H new ATOM 0 HG3 GLU A 601 -13.758 -10.996 21.988 1.00 0.00 H new ATOM 872 N MET A 602 -16.417 -13.553 18.360 1.00 0.00 N ATOM 873 CA MET A 602 -17.700 -13.511 17.613 1.00 0.00 C ATOM 874 C MET A 602 -18.626 -14.670 18.032 1.00 0.00 C ATOM 875 O MET A 602 -19.834 -14.473 18.179 1.00 0.00 O ATOM 876 CB MET A 602 -17.466 -13.523 16.075 1.00 0.00 C ATOM 877 CG MET A 602 -16.873 -12.217 15.504 1.00 0.00 C ATOM 878 SD MET A 602 -16.649 -12.254 13.709 1.00 0.00 S ATOM 879 CE MET A 602 -15.498 -13.616 13.508 1.00 0.00 C ATOM 0 H MET A 602 -15.624 -13.877 17.807 1.00 0.00 H new ATOM 0 HA MET A 602 -18.193 -12.573 17.868 1.00 0.00 H new ATOM 0 HB2 MET A 602 -16.797 -14.348 15.829 1.00 0.00 H new ATOM 0 HB3 MET A 602 -18.415 -13.723 15.578 1.00 0.00 H new ATOM 0 HG2 MET A 602 -17.528 -11.385 15.764 1.00 0.00 H new ATOM 0 HG3 MET A 602 -15.911 -12.026 15.979 1.00 0.00 H new ATOM 0 HE1 MET A 602 -15.191 -13.682 12.464 1.00 0.00 H new ATOM 0 HE2 MET A 602 -14.622 -13.447 14.134 1.00 0.00 H new ATOM 0 HE3 MET A 602 -15.981 -14.547 13.803 1.00 0.00 H new ATOM 889 N VAL A 603 -18.040 -15.867 18.245 1.00 0.00 N ATOM 890 CA VAL A 603 -18.790 -17.078 18.662 1.00 0.00 C ATOM 891 C VAL A 603 -19.489 -16.843 20.019 1.00 0.00 C ATOM 892 O VAL A 603 -20.711 -17.016 20.141 1.00 0.00 O ATOM 893 CB VAL A 603 -17.845 -18.342 18.745 1.00 0.00 C ATOM 894 CG1 VAL A 603 -18.557 -19.559 19.392 1.00 0.00 C ATOM 895 CG2 VAL A 603 -17.290 -18.717 17.343 1.00 0.00 C ATOM 0 H VAL A 603 -17.038 -16.024 18.134 1.00 0.00 H new ATOM 0 HA VAL A 603 -19.548 -17.274 17.904 1.00 0.00 H new ATOM 0 HB VAL A 603 -17.008 -18.072 19.388 1.00 0.00 H new ATOM 0 HG11 VAL A 603 -17.871 -20.405 19.429 1.00 0.00 H new ATOM 0 HG12 VAL A 603 -18.870 -19.302 20.404 1.00 0.00 H new ATOM 0 HG13 VAL A 603 -19.431 -19.827 18.799 1.00 0.00 H new ATOM 0 HG21 VAL A 603 -16.643 -19.590 17.429 1.00 0.00 H new ATOM 0 HG22 VAL A 603 -18.119 -18.945 16.673 1.00 0.00 H new ATOM 0 HG23 VAL A 603 -16.718 -17.880 16.942 1.00 0.00 H new ATOM 905 N LYS A 604 -18.701 -16.397 21.013 1.00 0.00 N ATOM 906 CA LYS A 604 -19.185 -16.152 22.386 1.00 0.00 C ATOM 907 C LYS A 604 -20.165 -14.959 22.437 1.00 0.00 C ATOM 908 O LYS A 604 -21.060 -14.937 23.277 1.00 0.00 O ATOM 909 CB LYS A 604 -17.990 -15.927 23.353 1.00 0.00 C ATOM 910 CG LYS A 604 -17.121 -14.704 23.001 1.00 0.00 C ATOM 911 CD LYS A 604 -15.821 -14.594 23.827 1.00 0.00 C ATOM 912 CE LYS A 604 -16.048 -14.183 25.287 1.00 0.00 C ATOM 913 NZ LYS A 604 -14.769 -13.809 25.942 1.00 0.00 N ATOM 0 H LYS A 604 -17.709 -16.196 20.888 1.00 0.00 H new ATOM 0 HA LYS A 604 -19.731 -17.038 22.710 1.00 0.00 H new ATOM 0 HB2 LYS A 604 -18.373 -15.808 24.366 1.00 0.00 H new ATOM 0 HB3 LYS A 604 -17.362 -16.818 23.352 1.00 0.00 H new ATOM 0 HG2 LYS A 604 -16.863 -14.748 21.943 1.00 0.00 H new ATOM 0 HG3 LYS A 604 -17.710 -13.799 23.149 1.00 0.00 H new ATOM 0 HD2 LYS A 604 -15.306 -15.554 23.806 1.00 0.00 H new ATOM 0 HD3 LYS A 604 -15.161 -13.867 23.353 1.00 0.00 H new ATOM 0 HE2 LYS A 604 -16.741 -13.342 25.328 1.00 0.00 H new ATOM 0 HE3 LYS A 604 -16.512 -15.005 25.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 604 -14.931 -13.013 26.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 604 -14.402 -14.622 26.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 604 -14.077 -13.530 25.218 1.00 0.00 H new ATOM 927 N ALA A 605 -19.986 -13.982 21.520 1.00 0.00 N ATOM 928 CA ALA A 605 -20.860 -12.794 21.433 1.00 0.00 C ATOM 929 C ALA A 605 -22.272 -13.170 20.955 1.00 0.00 C ATOM 930 O ALA A 605 -23.273 -12.776 21.565 1.00 0.00 O ATOM 931 CB ALA A 605 -20.238 -11.743 20.503 1.00 0.00 C ATOM 0 H ALA A 605 -19.238 -13.995 20.826 1.00 0.00 H new ATOM 0 HA ALA A 605 -20.951 -12.370 22.433 1.00 0.00 H new ATOM 0 HB1 ALA A 605 -20.892 -10.873 20.448 1.00 0.00 H new ATOM 0 HB2 ALA A 605 -19.266 -11.442 20.893 1.00 0.00 H new ATOM 0 HB3 ALA A 605 -20.114 -12.167 19.507 1.00 0.00 H new ATOM 937 N LYS A 606 -22.330 -13.957 19.868 1.00 0.00 N ATOM 938 CA LYS A 606 -23.599 -14.391 19.247 1.00 0.00 C ATOM 939 C LYS A 606 -24.345 -15.384 20.146 1.00 0.00 C ATOM 940 O LYS A 606 -25.575 -15.316 20.271 1.00 0.00 O ATOM 941 CB LYS A 606 -23.335 -15.022 17.859 1.00 0.00 C ATOM 942 CG LYS A 606 -22.789 -14.037 16.804 1.00 0.00 C ATOM 943 CD LYS A 606 -22.501 -14.720 15.446 1.00 0.00 C ATOM 944 CE LYS A 606 -21.450 -15.842 15.544 1.00 0.00 C ATOM 945 NZ LYS A 606 -21.203 -16.478 14.230 1.00 0.00 N ATOM 0 H LYS A 606 -21.500 -14.312 19.393 1.00 0.00 H new ATOM 0 HA LYS A 606 -24.227 -13.509 19.120 1.00 0.00 H new ATOM 0 HB2 LYS A 606 -22.625 -15.841 17.975 1.00 0.00 H new ATOM 0 HB3 LYS A 606 -24.264 -15.455 17.488 1.00 0.00 H new ATOM 0 HG2 LYS A 606 -23.509 -13.232 16.656 1.00 0.00 H new ATOM 0 HG3 LYS A 606 -21.873 -13.580 17.178 1.00 0.00 H new ATOM 0 HD2 LYS A 606 -23.429 -15.133 15.050 1.00 0.00 H new ATOM 0 HD3 LYS A 606 -22.157 -13.969 14.734 1.00 0.00 H new ATOM 0 HE2 LYS A 606 -20.517 -15.433 15.932 1.00 0.00 H new ATOM 0 HE3 LYS A 606 -21.788 -16.596 16.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 606 -20.490 -17.228 14.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 606 -22.088 -16.890 13.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 606 -20.857 -15.764 13.558 1.00 0.00 H new ATOM 959 N LYS A 607 -23.590 -16.291 20.789 1.00 0.00 N ATOM 960 CA LYS A 607 -24.177 -17.319 21.669 1.00 0.00 C ATOM 961 C LYS A 607 -24.746 -16.651 22.929 1.00 0.00 C ATOM 962 O LYS A 607 -25.751 -17.100 23.452 1.00 0.00 O ATOM 963 CB LYS A 607 -23.146 -18.453 22.001 1.00 0.00 C ATOM 964 CG LYS A 607 -22.135 -18.194 23.158 1.00 0.00 C ATOM 965 CD LYS A 607 -22.675 -18.598 24.555 1.00 0.00 C ATOM 966 CE LYS A 607 -21.760 -18.159 25.709 1.00 0.00 C ATOM 967 NZ LYS A 607 -22.361 -18.479 27.032 1.00 0.00 N ATOM 0 H LYS A 607 -22.573 -16.334 20.717 1.00 0.00 H new ATOM 0 HA LYS A 607 -24.998 -17.809 21.146 1.00 0.00 H new ATOM 0 HB2 LYS A 607 -23.706 -19.357 22.241 1.00 0.00 H new ATOM 0 HB3 LYS A 607 -22.575 -18.663 21.097 1.00 0.00 H new ATOM 0 HG2 LYS A 607 -21.217 -18.747 22.958 1.00 0.00 H new ATOM 0 HG3 LYS A 607 -21.873 -17.136 23.171 1.00 0.00 H new ATOM 0 HD2 LYS A 607 -23.663 -18.159 24.696 1.00 0.00 H new ATOM 0 HD3 LYS A 607 -22.799 -19.680 24.590 1.00 0.00 H new ATOM 0 HE2 LYS A 607 -20.794 -18.655 25.618 1.00 0.00 H new ATOM 0 HE3 LYS A 607 -21.576 -17.087 25.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 607 -21.718 -18.170 27.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 607 -23.272 -17.986 27.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 607 -22.514 -19.505 27.105 1.00 0.00 H new ATOM 981 N ALA A 608 -24.080 -15.570 23.403 1.00 0.00 N ATOM 982 CA ALA A 608 -24.542 -14.785 24.564 1.00 0.00 C ATOM 983 C ALA A 608 -25.767 -13.943 24.191 1.00 0.00 C ATOM 984 O ALA A 608 -26.649 -13.707 25.018 1.00 0.00 O ATOM 985 CB ALA A 608 -23.418 -13.888 25.101 1.00 0.00 C ATOM 0 H ALA A 608 -23.214 -15.223 22.991 1.00 0.00 H new ATOM 0 HA ALA A 608 -24.827 -15.482 25.352 1.00 0.00 H new ATOM 0 HB1 ALA A 608 -23.783 -13.320 25.956 1.00 0.00 H new ATOM 0 HB2 ALA A 608 -22.575 -14.506 25.410 1.00 0.00 H new ATOM 0 HB3 ALA A 608 -23.096 -13.200 24.319 1.00 0.00 H new