USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 486 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 564 GLN :FLIP amide:sc= -0.0277 F(o=0.17,f=1) USER MOD Set 1.2: A 568 THR OG1 : rot 72:sc= 1.03 USER MOD Single : A 555 THR OG1 : rot -134:sc= 0.384 USER MOD Single : A 556 THR OG1 : rot 180:sc= 0 USER MOD Single : A 559 GLN : amide:sc= 1.2 K(o=1.2,f=-6.1!) USER MOD Single : A 560 LYS NZ :NH3+ -171:sc= -0.0165 (180deg=-0.108) USER MOD Single : A 567 LYS NZ :NH3+ 169:sc= -0.0218 (180deg=-0.174) USER MOD Single : A 569 TYR OH : rot 30:sc= 0 USER MOD Single : A 572 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 573 THR OG1 : rot 180:sc= -0.802 USER MOD Single : A 578 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 579 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 588 THR OG1 : rot 180:sc= 0 USER MOD Single : A 589 LYS NZ :NH3+ -110:sc= -0.447 (180deg=-3.47!) USER MOD Single : A 590 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 592 CYS SG : rot -16:sc= -2.96! USER MOD Single : A 593 MET CE :methyl 160:sc= 0 (180deg=-0.037) USER MOD Single : A 594 LYS NZ :NH3+ -166:sc= -0.112 (180deg=-0.439) USER MOD Single : A 596 TYR OH : rot 30:sc= 0.0946 USER MOD Single : A 597 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 602 MET CE :methyl -175:sc= -0.623 (180deg=-0.709) USER MOD Single : A 604 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 606 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 607 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 49 N TRP A 554 -6.747 -9.917 5.753 1.00 0.00 N ATOM 50 CA TRP A 554 -7.171 -11.306 5.536 1.00 0.00 C ATOM 51 C TRP A 554 -8.152 -11.389 4.356 1.00 0.00 C ATOM 52 O TRP A 554 -9.297 -10.929 4.446 1.00 0.00 O ATOM 53 CB TRP A 554 -7.776 -11.902 6.833 1.00 0.00 C ATOM 54 CG TRP A 554 -6.718 -12.238 7.860 1.00 0.00 C ATOM 55 CD1 TRP A 554 -6.292 -11.478 8.917 1.00 0.00 C ATOM 56 CD2 TRP A 554 -5.934 -13.435 7.888 1.00 0.00 C ATOM 57 NE1 TRP A 554 -5.309 -12.144 9.604 1.00 0.00 N ATOM 58 CE2 TRP A 554 -5.067 -13.342 8.983 1.00 0.00 C ATOM 59 CE3 TRP A 554 -5.889 -14.575 7.090 1.00 0.00 C ATOM 60 CZ2 TRP A 554 -4.164 -14.350 9.296 1.00 0.00 C ATOM 61 CZ3 TRP A 554 -4.995 -15.574 7.402 1.00 0.00 C ATOM 62 CH2 TRP A 554 -4.142 -15.457 8.499 1.00 0.00 C ATOM 0 HA TRP A 554 -6.297 -11.905 5.280 1.00 0.00 H new ATOM 0 HB2 TRP A 554 -8.482 -11.191 7.262 1.00 0.00 H new ATOM 0 HB3 TRP A 554 -8.340 -12.802 6.588 1.00 0.00 H new ATOM 0 HD1 TRP A 554 -6.673 -10.500 9.172 1.00 0.00 H new ATOM 0 HE1 TRP A 554 -4.835 -11.803 10.441 1.00 0.00 H new ATOM 0 HE3 TRP A 554 -6.546 -14.674 6.239 1.00 0.00 H new ATOM 0 HZ2 TRP A 554 -3.500 -14.260 10.143 1.00 0.00 H new ATOM 0 HZ3 TRP A 554 -4.954 -16.462 6.788 1.00 0.00 H new ATOM 0 HH2 TRP A 554 -3.452 -16.257 8.722 1.00 0.00 H new ATOM 73 N THR A 555 -7.646 -11.924 3.234 1.00 0.00 N ATOM 74 CA THR A 555 -8.440 -12.194 2.032 1.00 0.00 C ATOM 75 C THR A 555 -9.284 -13.462 2.248 1.00 0.00 C ATOM 76 O THR A 555 -9.070 -14.185 3.233 1.00 0.00 O ATOM 77 CB THR A 555 -7.514 -12.390 0.789 1.00 0.00 C ATOM 78 OG1 THR A 555 -6.691 -13.550 0.988 1.00 0.00 O ATOM 79 CG2 THR A 555 -6.617 -11.162 0.537 1.00 0.00 C ATOM 0 H THR A 555 -6.664 -12.183 3.138 1.00 0.00 H new ATOM 0 HA THR A 555 -9.093 -11.341 1.848 1.00 0.00 H new ATOM 0 HB THR A 555 -8.152 -12.520 -0.085 1.00 0.00 H new ATOM 0 HG1 THR A 555 -5.766 -13.342 0.739 1.00 0.00 H new ATOM 0 HG21 THR A 555 -5.990 -11.342 -0.336 1.00 0.00 H new ATOM 0 HG22 THR A 555 -7.241 -10.286 0.361 1.00 0.00 H new ATOM 0 HG23 THR A 555 -5.985 -10.988 1.408 1.00 0.00 H new ATOM 87 N THR A 556 -10.223 -13.736 1.330 1.00 0.00 N ATOM 88 CA THR A 556 -11.089 -14.923 1.403 1.00 0.00 C ATOM 89 C THR A 556 -10.239 -16.217 1.400 1.00 0.00 C ATOM 90 O THR A 556 -10.439 -17.109 2.232 1.00 0.00 O ATOM 91 CB THR A 556 -12.099 -14.941 0.214 1.00 0.00 C ATOM 92 OG1 THR A 556 -12.755 -13.667 0.121 1.00 0.00 O ATOM 93 CG2 THR A 556 -13.160 -16.045 0.363 1.00 0.00 C ATOM 0 H THR A 556 -10.403 -13.144 0.519 1.00 0.00 H new ATOM 0 HA THR A 556 -11.651 -14.877 2.336 1.00 0.00 H new ATOM 0 HB THR A 556 -11.530 -15.148 -0.692 1.00 0.00 H new ATOM 0 HG1 THR A 556 -13.388 -13.679 -0.627 1.00 0.00 H new ATOM 0 HG21 THR A 556 -13.838 -16.015 -0.490 1.00 0.00 H new ATOM 0 HG22 THR A 556 -12.670 -17.018 0.403 1.00 0.00 H new ATOM 0 HG23 THR A 556 -13.725 -15.885 1.282 1.00 0.00 H new ATOM 101 N GLU A 557 -9.256 -16.260 0.486 1.00 0.00 N ATOM 102 CA GLU A 557 -8.367 -17.426 0.305 1.00 0.00 C ATOM 103 C GLU A 557 -7.432 -17.638 1.522 1.00 0.00 C ATOM 104 O GLU A 557 -7.373 -18.752 2.058 1.00 0.00 O ATOM 105 CB GLU A 557 -7.573 -17.277 -1.023 1.00 0.00 C ATOM 106 CG GLU A 557 -6.781 -15.962 -1.157 1.00 0.00 C ATOM 107 CD GLU A 557 -6.111 -15.770 -2.525 1.00 0.00 C ATOM 108 OE1 GLU A 557 -5.051 -16.381 -2.773 1.00 0.00 O ATOM 109 OE2 GLU A 557 -6.642 -15.004 -3.361 1.00 0.00 O ATOM 0 H GLU A 557 -9.053 -15.489 -0.150 1.00 0.00 H new ATOM 0 HA GLU A 557 -8.982 -18.324 0.241 1.00 0.00 H new ATOM 0 HB2 GLU A 557 -6.879 -18.113 -1.111 1.00 0.00 H new ATOM 0 HB3 GLU A 557 -8.270 -17.352 -1.857 1.00 0.00 H new ATOM 0 HG2 GLU A 557 -7.454 -15.125 -0.974 1.00 0.00 H new ATOM 0 HG3 GLU A 557 -6.015 -15.931 -0.382 1.00 0.00 H new ATOM 116 N GLU A 558 -6.749 -16.558 1.980 1.00 0.00 N ATOM 117 CA GLU A 558 -5.822 -16.618 3.135 1.00 0.00 C ATOM 118 C GLU A 558 -6.555 -17.061 4.411 1.00 0.00 C ATOM 119 O GLU A 558 -6.032 -17.868 5.190 1.00 0.00 O ATOM 120 CB GLU A 558 -5.112 -15.239 3.388 1.00 0.00 C ATOM 121 CG GLU A 558 -3.743 -15.044 2.687 1.00 0.00 C ATOM 122 CD GLU A 558 -3.816 -14.934 1.158 1.00 0.00 C ATOM 123 OE1 GLU A 558 -3.883 -15.980 0.483 1.00 0.00 O ATOM 124 OE2 GLU A 558 -3.796 -13.800 0.624 1.00 0.00 O ATOM 0 H GLU A 558 -6.825 -15.630 1.563 1.00 0.00 H new ATOM 0 HA GLU A 558 -5.059 -17.356 2.886 1.00 0.00 H new ATOM 0 HB2 GLU A 558 -5.781 -14.443 3.063 1.00 0.00 H new ATOM 0 HB3 GLU A 558 -4.969 -15.117 4.462 1.00 0.00 H new ATOM 0 HG2 GLU A 558 -3.274 -14.142 3.081 1.00 0.00 H new ATOM 0 HG3 GLU A 558 -3.094 -15.881 2.947 1.00 0.00 H new ATOM 131 N GLN A 559 -7.770 -16.530 4.615 1.00 0.00 N ATOM 132 CA GLN A 559 -8.513 -16.755 5.856 1.00 0.00 C ATOM 133 C GLN A 559 -9.084 -18.182 5.905 1.00 0.00 C ATOM 134 O GLN A 559 -9.144 -18.762 6.974 1.00 0.00 O ATOM 135 CB GLN A 559 -9.637 -15.712 6.045 1.00 0.00 C ATOM 136 CG GLN A 559 -10.141 -15.570 7.504 1.00 0.00 C ATOM 137 CD GLN A 559 -11.367 -14.671 7.645 1.00 0.00 C ATOM 138 OE1 GLN A 559 -11.248 -13.452 7.705 1.00 0.00 O ATOM 139 NE2 GLN A 559 -12.546 -15.262 7.723 1.00 0.00 N ATOM 0 H GLN A 559 -8.255 -15.944 3.936 1.00 0.00 H new ATOM 0 HA GLN A 559 -7.810 -16.637 6.681 1.00 0.00 H new ATOM 0 HB2 GLN A 559 -9.277 -14.742 5.702 1.00 0.00 H new ATOM 0 HB3 GLN A 559 -10.479 -15.983 5.408 1.00 0.00 H new ATOM 0 HG2 GLN A 559 -10.380 -16.559 7.894 1.00 0.00 H new ATOM 0 HG3 GLN A 559 -9.336 -15.170 8.120 1.00 0.00 H new ATOM 0 HE21 GLN A 559 -12.611 -16.279 7.670 1.00 0.00 H new ATOM 0 HE22 GLN A 559 -13.391 -14.702 7.836 1.00 0.00 H new ATOM 148 N LYS A 560 -9.488 -18.745 4.743 1.00 0.00 N ATOM 149 CA LYS A 560 -9.986 -20.145 4.669 1.00 0.00 C ATOM 150 C LYS A 560 -8.859 -21.150 4.963 1.00 0.00 C ATOM 151 O LYS A 560 -9.108 -22.213 5.560 1.00 0.00 O ATOM 152 CB LYS A 560 -10.632 -20.455 3.292 1.00 0.00 C ATOM 153 CG LYS A 560 -11.998 -19.771 3.063 1.00 0.00 C ATOM 154 CD LYS A 560 -12.648 -20.173 1.721 1.00 0.00 C ATOM 155 CE LYS A 560 -14.017 -19.509 1.499 1.00 0.00 C ATOM 156 NZ LYS A 560 -14.992 -19.849 2.572 1.00 0.00 N ATOM 0 H LYS A 560 -9.481 -18.258 3.847 1.00 0.00 H new ATOM 0 HA LYS A 560 -10.756 -20.249 5.433 1.00 0.00 H new ATOM 0 HB2 LYS A 560 -9.946 -20.144 2.504 1.00 0.00 H new ATOM 0 HB3 LYS A 560 -10.758 -21.534 3.197 1.00 0.00 H new ATOM 0 HG2 LYS A 560 -12.671 -20.030 3.880 1.00 0.00 H new ATOM 0 HG3 LYS A 560 -11.867 -18.689 3.089 1.00 0.00 H new ATOM 0 HD2 LYS A 560 -11.981 -19.901 0.903 1.00 0.00 H new ATOM 0 HD3 LYS A 560 -12.765 -21.256 1.690 1.00 0.00 H new ATOM 0 HE2 LYS A 560 -13.891 -18.427 1.456 1.00 0.00 H new ATOM 0 HE3 LYS A 560 -14.418 -19.822 0.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 560 -15.937 -19.507 2.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 560 -15.021 -20.881 2.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 560 -14.700 -19.397 3.462 1.00 0.00 H new ATOM 170 N LEU A 561 -7.623 -20.798 4.541 1.00 0.00 N ATOM 171 CA LEU A 561 -6.408 -21.568 4.881 1.00 0.00 C ATOM 172 C LEU A 561 -6.230 -21.610 6.408 1.00 0.00 C ATOM 173 O LEU A 561 -5.903 -22.655 6.972 1.00 0.00 O ATOM 174 CB LEU A 561 -5.142 -20.946 4.226 1.00 0.00 C ATOM 175 CG LEU A 561 -5.087 -20.942 2.668 1.00 0.00 C ATOM 176 CD1 LEU A 561 -3.824 -20.212 2.158 1.00 0.00 C ATOM 177 CD2 LEU A 561 -5.183 -22.375 2.097 1.00 0.00 C ATOM 0 H LEU A 561 -7.442 -19.979 3.960 1.00 0.00 H new ATOM 0 HA LEU A 561 -6.530 -22.580 4.494 1.00 0.00 H new ATOM 0 HB2 LEU A 561 -5.052 -19.916 4.572 1.00 0.00 H new ATOM 0 HB3 LEU A 561 -4.269 -21.484 4.595 1.00 0.00 H new ATOM 0 HG LEU A 561 -5.955 -20.391 2.306 1.00 0.00 H new ATOM 0 HD11 LEU A 561 -3.812 -20.225 1.068 1.00 0.00 H new ATOM 0 HD12 LEU A 561 -3.834 -19.180 2.509 1.00 0.00 H new ATOM 0 HD13 LEU A 561 -2.935 -20.716 2.537 1.00 0.00 H new ATOM 0 HD21 LEU A 561 -5.142 -22.336 1.008 1.00 0.00 H new ATOM 0 HD22 LEU A 561 -4.351 -22.972 2.471 1.00 0.00 H new ATOM 0 HD23 LEU A 561 -6.124 -22.829 2.409 1.00 0.00 H new ATOM 189 N LEU A 562 -6.472 -20.448 7.057 1.00 0.00 N ATOM 190 CA LEU A 562 -6.371 -20.302 8.517 1.00 0.00 C ATOM 191 C LEU A 562 -7.481 -21.098 9.232 1.00 0.00 C ATOM 192 O LEU A 562 -7.199 -21.854 10.154 1.00 0.00 O ATOM 193 CB LEU A 562 -6.436 -18.808 8.930 1.00 0.00 C ATOM 194 CG LEU A 562 -6.337 -18.521 10.464 1.00 0.00 C ATOM 195 CD1 LEU A 562 -4.980 -18.977 11.041 1.00 0.00 C ATOM 196 CD2 LEU A 562 -6.621 -17.039 10.783 1.00 0.00 C ATOM 0 H LEU A 562 -6.742 -19.589 6.578 1.00 0.00 H new ATOM 0 HA LEU A 562 -5.406 -20.706 8.822 1.00 0.00 H new ATOM 0 HB2 LEU A 562 -5.628 -18.276 8.427 1.00 0.00 H new ATOM 0 HB3 LEU A 562 -7.372 -18.389 8.561 1.00 0.00 H new ATOM 0 HG LEU A 562 -7.111 -19.111 10.954 1.00 0.00 H new ATOM 0 HD11 LEU A 562 -4.948 -18.761 12.109 1.00 0.00 H new ATOM 0 HD12 LEU A 562 -4.859 -20.049 10.883 1.00 0.00 H new ATOM 0 HD13 LEU A 562 -4.173 -18.443 10.539 1.00 0.00 H new ATOM 0 HD21 LEU A 562 -6.543 -16.877 11.858 1.00 0.00 H new ATOM 0 HD22 LEU A 562 -5.895 -16.410 10.268 1.00 0.00 H new ATOM 0 HD23 LEU A 562 -7.626 -16.781 10.449 1.00 0.00 H new ATOM 208 N GLU A 563 -8.729 -20.935 8.762 1.00 0.00 N ATOM 209 CA GLU A 563 -9.931 -21.591 9.336 1.00 0.00 C ATOM 210 C GLU A 563 -9.775 -23.124 9.340 1.00 0.00 C ATOM 211 O GLU A 563 -10.242 -23.805 10.260 1.00 0.00 O ATOM 212 CB GLU A 563 -11.201 -21.160 8.542 1.00 0.00 C ATOM 213 CG GLU A 563 -11.594 -19.670 8.705 1.00 0.00 C ATOM 214 CD GLU A 563 -12.679 -19.207 7.709 1.00 0.00 C ATOM 215 OE1 GLU A 563 -13.818 -19.724 7.773 1.00 0.00 O ATOM 216 OE2 GLU A 563 -12.399 -18.333 6.849 1.00 0.00 O ATOM 0 H GLU A 563 -8.941 -20.338 7.963 1.00 0.00 H new ATOM 0 HA GLU A 563 -10.042 -21.270 10.372 1.00 0.00 H new ATOM 0 HB2 GLU A 563 -11.038 -21.365 7.484 1.00 0.00 H new ATOM 0 HB3 GLU A 563 -12.039 -21.779 8.861 1.00 0.00 H new ATOM 0 HG2 GLU A 563 -11.951 -19.506 9.722 1.00 0.00 H new ATOM 0 HG3 GLU A 563 -10.706 -19.052 8.576 1.00 0.00 H new ATOM 223 N GLN A 564 -9.088 -23.645 8.309 1.00 0.00 N ATOM 224 CA GLN A 564 -8.725 -25.066 8.227 1.00 0.00 C ATOM 225 C GLN A 564 -7.546 -25.372 9.172 1.00 0.00 C ATOM 226 O GLN A 564 -7.589 -26.345 9.914 1.00 0.00 O ATOM 227 CB GLN A 564 -8.367 -25.460 6.767 1.00 0.00 C ATOM 228 CG GLN A 564 -8.009 -26.951 6.564 1.00 0.00 C ATOM 229 CD GLN A 564 -9.136 -27.917 6.962 1.00 0.00 C ATOM 230 OE1 GLN A 564 -9.132 -28.376 8.210 1.00 0.00 O flip ATOM 231 NE2 GLN A 564 -9.994 -28.251 6.148 1.00 0.00 N flip ATOM 0 H GLN A 564 -8.771 -23.093 7.512 1.00 0.00 H new ATOM 0 HA GLN A 564 -9.585 -25.659 8.538 1.00 0.00 H new ATOM 0 HB2 GLN A 564 -9.210 -25.213 6.122 1.00 0.00 H new ATOM 0 HB3 GLN A 564 -7.525 -24.851 6.438 1.00 0.00 H new ATOM 0 HG2 GLN A 564 -7.755 -27.115 5.517 1.00 0.00 H new ATOM 0 HG3 GLN A 564 -7.119 -27.185 7.148 1.00 0.00 H new ATOM 0 HE21 GLN A 564 -9.968 -27.880 5.198 1.00 0.00 H new ATOM 0 HE22 GLN A 564 -10.732 -28.899 6.422 1.00 0.00 H new ATOM 240 N ALA A 565 -6.522 -24.498 9.155 1.00 0.00 N ATOM 241 CA ALA A 565 -5.255 -24.685 9.909 1.00 0.00 C ATOM 242 C ALA A 565 -5.467 -24.754 11.437 1.00 0.00 C ATOM 243 O ALA A 565 -4.709 -25.408 12.154 1.00 0.00 O ATOM 244 CB ALA A 565 -4.278 -23.556 9.563 1.00 0.00 C ATOM 0 H ALA A 565 -6.545 -23.633 8.615 1.00 0.00 H new ATOM 0 HA ALA A 565 -4.841 -25.647 9.607 1.00 0.00 H new ATOM 0 HB1 ALA A 565 -3.350 -23.695 10.117 1.00 0.00 H new ATOM 0 HB2 ALA A 565 -4.068 -23.572 8.494 1.00 0.00 H new ATOM 0 HB3 ALA A 565 -4.720 -22.597 9.832 1.00 0.00 H new ATOM 250 N LEU A 566 -6.505 -24.064 11.910 1.00 0.00 N ATOM 251 CA LEU A 566 -6.893 -24.043 13.332 1.00 0.00 C ATOM 252 C LEU A 566 -7.475 -25.405 13.763 1.00 0.00 C ATOM 253 O LEU A 566 -7.322 -25.825 14.911 1.00 0.00 O ATOM 254 CB LEU A 566 -7.923 -22.904 13.552 1.00 0.00 C ATOM 255 CG LEU A 566 -7.396 -21.470 13.221 1.00 0.00 C ATOM 256 CD1 LEU A 566 -8.541 -20.436 13.146 1.00 0.00 C ATOM 257 CD2 LEU A 566 -6.300 -21.039 14.218 1.00 0.00 C ATOM 0 H LEU A 566 -7.110 -23.497 11.316 1.00 0.00 H new ATOM 0 HA LEU A 566 -6.012 -23.859 13.947 1.00 0.00 H new ATOM 0 HB2 LEU A 566 -8.801 -23.104 12.938 1.00 0.00 H new ATOM 0 HB3 LEU A 566 -8.250 -22.925 14.592 1.00 0.00 H new ATOM 0 HG LEU A 566 -6.945 -21.508 12.229 1.00 0.00 H new ATOM 0 HD11 LEU A 566 -8.130 -19.454 12.914 1.00 0.00 H new ATOM 0 HD12 LEU A 566 -9.245 -20.728 12.366 1.00 0.00 H new ATOM 0 HD13 LEU A 566 -9.058 -20.395 14.105 1.00 0.00 H new ATOM 0 HD21 LEU A 566 -5.951 -20.038 13.965 1.00 0.00 H new ATOM 0 HD22 LEU A 566 -6.708 -21.036 15.229 1.00 0.00 H new ATOM 0 HD23 LEU A 566 -5.465 -21.738 14.166 1.00 0.00 H new ATOM 269 N LYS A 567 -8.134 -26.081 12.811 1.00 0.00 N ATOM 270 CA LYS A 567 -8.757 -27.398 13.028 1.00 0.00 C ATOM 271 C LYS A 567 -7.765 -28.539 12.702 1.00 0.00 C ATOM 272 O LYS A 567 -7.863 -29.643 13.256 1.00 0.00 O ATOM 273 CB LYS A 567 -10.032 -27.502 12.149 1.00 0.00 C ATOM 274 CG LYS A 567 -11.024 -26.335 12.353 1.00 0.00 C ATOM 275 CD LYS A 567 -12.351 -26.512 11.580 1.00 0.00 C ATOM 276 CE LYS A 567 -13.152 -27.738 12.053 1.00 0.00 C ATOM 277 NZ LYS A 567 -13.439 -27.686 13.513 1.00 0.00 N ATOM 0 H LYS A 567 -8.251 -25.728 11.861 1.00 0.00 H new ATOM 0 HA LYS A 567 -9.033 -27.499 14.078 1.00 0.00 H new ATOM 0 HB2 LYS A 567 -9.738 -27.538 11.100 1.00 0.00 H new ATOM 0 HB3 LYS A 567 -10.539 -28.441 12.370 1.00 0.00 H new ATOM 0 HG2 LYS A 567 -11.242 -26.236 13.416 1.00 0.00 H new ATOM 0 HG3 LYS A 567 -10.550 -25.406 12.037 1.00 0.00 H new ATOM 0 HD2 LYS A 567 -12.960 -25.616 11.701 1.00 0.00 H new ATOM 0 HD3 LYS A 567 -12.137 -26.611 10.516 1.00 0.00 H new ATOM 0 HE2 LYS A 567 -14.090 -27.794 11.501 1.00 0.00 H new ATOM 0 HE3 LYS A 567 -12.594 -28.646 11.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 567 -14.131 -28.423 13.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 567 -12.560 -27.846 14.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 567 -13.827 -26.752 13.758 1.00 0.00 H new ATOM 291 N THR A 568 -6.813 -28.245 11.795 1.00 0.00 N ATOM 292 CA THR A 568 -5.780 -29.190 11.337 1.00 0.00 C ATOM 293 C THR A 568 -4.702 -29.373 12.416 1.00 0.00 C ATOM 294 O THR A 568 -4.246 -30.495 12.690 1.00 0.00 O ATOM 295 CB THR A 568 -5.136 -28.686 10.001 1.00 0.00 C ATOM 296 OG1 THR A 568 -6.152 -28.559 8.997 1.00 0.00 O ATOM 297 CG2 THR A 568 -4.029 -29.613 9.477 1.00 0.00 C ATOM 0 H THR A 568 -6.741 -27.328 11.354 1.00 0.00 H new ATOM 0 HA THR A 568 -6.251 -30.156 11.153 1.00 0.00 H new ATOM 0 HB THR A 568 -4.676 -27.722 10.218 1.00 0.00 H new ATOM 0 HG1 THR A 568 -6.724 -27.791 9.205 1.00 0.00 H new ATOM 0 HG21 THR A 568 -3.624 -29.208 8.550 1.00 0.00 H new ATOM 0 HG22 THR A 568 -3.234 -29.686 10.219 1.00 0.00 H new ATOM 0 HG23 THR A 568 -4.443 -30.604 9.290 1.00 0.00 H new ATOM 305 N TYR A 569 -4.317 -28.246 13.032 1.00 0.00 N ATOM 306 CA TYR A 569 -3.317 -28.209 14.108 1.00 0.00 C ATOM 307 C TYR A 569 -4.043 -27.856 15.417 1.00 0.00 C ATOM 308 O TYR A 569 -4.491 -26.713 15.574 1.00 0.00 O ATOM 309 CB TYR A 569 -2.204 -27.180 13.779 1.00 0.00 C ATOM 310 CG TYR A 569 -1.655 -27.332 12.353 1.00 0.00 C ATOM 311 CD1 TYR A 569 -0.997 -28.500 11.951 1.00 0.00 C ATOM 312 CD2 TYR A 569 -1.843 -26.336 11.400 1.00 0.00 C ATOM 313 CE1 TYR A 569 -0.537 -28.651 10.656 1.00 0.00 C ATOM 314 CE2 TYR A 569 -1.397 -26.488 10.107 1.00 0.00 C ATOM 315 CZ TYR A 569 -0.741 -27.643 9.741 1.00 0.00 C ATOM 316 OH TYR A 569 -0.303 -27.794 8.448 1.00 0.00 O ATOM 0 H TYR A 569 -4.694 -27.328 12.796 1.00 0.00 H new ATOM 0 HA TYR A 569 -2.831 -29.179 14.212 1.00 0.00 H new ATOM 0 HB2 TYR A 569 -2.599 -26.172 13.906 1.00 0.00 H new ATOM 0 HB3 TYR A 569 -1.387 -27.295 14.492 1.00 0.00 H new ATOM 0 HD1 TYR A 569 -0.846 -29.297 12.664 1.00 0.00 H new ATOM 0 HD2 TYR A 569 -2.350 -25.424 11.681 1.00 0.00 H new ATOM 0 HE1 TYR A 569 -0.021 -29.554 10.364 1.00 0.00 H new ATOM 0 HE2 TYR A 569 -1.561 -25.705 9.382 1.00 0.00 H new ATOM 0 HH TYR A 569 -0.320 -28.743 8.205 1.00 0.00 H new ATOM 326 N PRO A 570 -4.229 -28.849 16.341 1.00 0.00 N ATOM 327 CA PRO A 570 -4.926 -28.629 17.632 1.00 0.00 C ATOM 328 C PRO A 570 -4.237 -27.575 18.531 1.00 0.00 C ATOM 329 O PRO A 570 -3.034 -27.312 18.404 1.00 0.00 O ATOM 330 CB PRO A 570 -4.933 -30.039 18.288 1.00 0.00 C ATOM 331 CG PRO A 570 -3.839 -30.796 17.602 1.00 0.00 C ATOM 332 CD PRO A 570 -3.807 -30.272 16.189 1.00 0.00 C ATOM 0 HA PRO A 570 -5.925 -28.219 17.486 1.00 0.00 H new ATOM 0 HB2 PRO A 570 -4.754 -29.975 19.361 1.00 0.00 H new ATOM 0 HB3 PRO A 570 -5.896 -30.531 18.154 1.00 0.00 H new ATOM 0 HG2 PRO A 570 -2.882 -30.639 18.100 1.00 0.00 H new ATOM 0 HG3 PRO A 570 -4.035 -31.868 17.618 1.00 0.00 H new ATOM 0 HD2 PRO A 570 -2.811 -30.352 15.753 1.00 0.00 H new ATOM 0 HD3 PRO A 570 -4.485 -30.825 15.539 1.00 0.00 H new ATOM 340 N VAL A 571 -5.033 -26.983 19.441 1.00 0.00 N ATOM 341 CA VAL A 571 -4.579 -25.925 20.371 1.00 0.00 C ATOM 342 C VAL A 571 -3.512 -26.447 21.366 1.00 0.00 C ATOM 343 O VAL A 571 -2.613 -25.702 21.778 1.00 0.00 O ATOM 344 CB VAL A 571 -5.799 -25.290 21.153 1.00 0.00 C ATOM 345 CG1 VAL A 571 -6.597 -26.357 21.948 1.00 0.00 C ATOM 346 CG2 VAL A 571 -5.344 -24.123 22.071 1.00 0.00 C ATOM 0 H VAL A 571 -6.017 -27.225 19.555 1.00 0.00 H new ATOM 0 HA VAL A 571 -4.114 -25.148 19.764 1.00 0.00 H new ATOM 0 HB VAL A 571 -6.474 -24.875 20.405 1.00 0.00 H new ATOM 0 HG11 VAL A 571 -7.425 -25.878 22.470 1.00 0.00 H new ATOM 0 HG12 VAL A 571 -6.987 -27.107 21.260 1.00 0.00 H new ATOM 0 HG13 VAL A 571 -5.940 -26.837 22.674 1.00 0.00 H new ATOM 0 HG21 VAL A 571 -6.209 -23.712 22.592 1.00 0.00 H new ATOM 0 HG22 VAL A 571 -4.623 -24.493 22.800 1.00 0.00 H new ATOM 0 HG23 VAL A 571 -4.880 -23.344 21.466 1.00 0.00 H new ATOM 356 N ASN A 572 -3.612 -27.744 21.723 1.00 0.00 N ATOM 357 CA ASN A 572 -2.674 -28.408 22.664 1.00 0.00 C ATOM 358 C ASN A 572 -1.323 -28.741 21.996 1.00 0.00 C ATOM 359 O ASN A 572 -0.425 -29.288 22.645 1.00 0.00 O ATOM 360 CB ASN A 572 -3.345 -29.666 23.291 1.00 0.00 C ATOM 361 CG ASN A 572 -4.526 -29.316 24.208 1.00 0.00 C ATOM 362 OD1 ASN A 572 -4.545 -28.267 24.860 1.00 0.00 O ATOM 363 ND2 ASN A 572 -5.526 -30.180 24.259 1.00 0.00 N ATOM 0 H ASN A 572 -4.342 -28.363 21.370 1.00 0.00 H new ATOM 0 HA ASN A 572 -2.447 -27.709 23.469 1.00 0.00 H new ATOM 0 HB2 ASN A 572 -3.693 -30.322 22.493 1.00 0.00 H new ATOM 0 HB3 ASN A 572 -2.601 -30.223 23.861 1.00 0.00 H new ATOM 0 HD21 ASN A 572 -6.337 -29.987 24.846 1.00 0.00 H new ATOM 0 HD22 ASN A 572 -5.486 -31.039 23.711 1.00 0.00 H new ATOM 370 N THR A 573 -1.187 -28.411 20.698 1.00 0.00 N ATOM 371 CA THR A 573 0.105 -28.379 20.010 1.00 0.00 C ATOM 372 C THR A 573 0.769 -27.000 20.259 1.00 0.00 C ATOM 373 O THR A 573 0.251 -25.984 19.794 1.00 0.00 O ATOM 374 CB THR A 573 -0.065 -28.628 18.469 1.00 0.00 C ATOM 375 OG1 THR A 573 -0.752 -29.870 18.249 1.00 0.00 O ATOM 376 CG2 THR A 573 1.282 -28.662 17.725 1.00 0.00 C ATOM 0 H THR A 573 -1.975 -28.160 20.101 1.00 0.00 H new ATOM 0 HA THR A 573 0.737 -29.175 20.404 1.00 0.00 H new ATOM 0 HB THR A 573 -0.644 -27.793 18.074 1.00 0.00 H new ATOM 0 HG1 THR A 573 -0.857 -30.020 17.286 1.00 0.00 H new ATOM 0 HG21 THR A 573 1.107 -28.837 16.663 1.00 0.00 H new ATOM 0 HG22 THR A 573 1.794 -27.709 17.856 1.00 0.00 H new ATOM 0 HG23 THR A 573 1.900 -29.464 18.128 1.00 0.00 H new ATOM 384 N PRO A 574 1.910 -26.927 21.023 1.00 0.00 N ATOM 385 CA PRO A 574 2.675 -25.662 21.206 1.00 0.00 C ATOM 386 C PRO A 574 3.390 -25.190 19.911 1.00 0.00 C ATOM 387 O PRO A 574 3.914 -24.076 19.862 1.00 0.00 O ATOM 388 CB PRO A 574 3.693 -26.021 22.320 1.00 0.00 C ATOM 389 CG PRO A 574 3.870 -27.504 22.198 1.00 0.00 C ATOM 390 CD PRO A 574 2.505 -28.038 21.821 1.00 0.00 C ATOM 0 HA PRO A 574 2.025 -24.825 21.463 1.00 0.00 H new ATOM 0 HB2 PRO A 574 4.637 -25.495 22.180 1.00 0.00 H new ATOM 0 HB3 PRO A 574 3.318 -25.745 23.305 1.00 0.00 H new ATOM 0 HG2 PRO A 574 4.612 -27.751 21.439 1.00 0.00 H new ATOM 0 HG3 PRO A 574 4.217 -27.937 23.136 1.00 0.00 H new ATOM 0 HD2 PRO A 574 2.579 -28.956 21.239 1.00 0.00 H new ATOM 0 HD3 PRO A 574 1.905 -28.267 22.702 1.00 0.00 H new ATOM 398 N GLU A 575 3.415 -26.062 18.882 1.00 0.00 N ATOM 399 CA GLU A 575 3.958 -25.737 17.541 1.00 0.00 C ATOM 400 C GLU A 575 2.837 -25.297 16.576 1.00 0.00 C ATOM 401 O GLU A 575 3.116 -25.096 15.388 1.00 0.00 O ATOM 402 CB GLU A 575 4.687 -26.979 16.940 1.00 0.00 C ATOM 403 CG GLU A 575 5.831 -27.539 17.797 1.00 0.00 C ATOM 404 CD GLU A 575 6.451 -28.820 17.218 1.00 0.00 C ATOM 405 OE1 GLU A 575 5.717 -29.819 17.066 1.00 0.00 O ATOM 406 OE2 GLU A 575 7.658 -28.839 16.903 1.00 0.00 O ATOM 0 H GLU A 575 3.059 -27.015 18.955 1.00 0.00 H new ATOM 0 HA GLU A 575 4.663 -24.914 17.661 1.00 0.00 H new ATOM 0 HB2 GLU A 575 3.954 -27.769 16.779 1.00 0.00 H new ATOM 0 HB3 GLU A 575 5.085 -26.709 15.962 1.00 0.00 H new ATOM 0 HG2 GLU A 575 6.607 -26.780 17.896 1.00 0.00 H new ATOM 0 HG3 GLU A 575 5.457 -27.745 18.800 1.00 0.00 H new ATOM 413 N ARG A 576 1.591 -25.134 17.107 1.00 0.00 N ATOM 414 CA ARG A 576 0.352 -24.923 16.301 1.00 0.00 C ATOM 415 C ARG A 576 0.557 -23.858 15.208 1.00 0.00 C ATOM 416 O ARG A 576 0.421 -24.148 14.019 1.00 0.00 O ATOM 417 CB ARG A 576 -0.837 -24.483 17.208 1.00 0.00 C ATOM 418 CG ARG A 576 -2.226 -24.484 16.513 1.00 0.00 C ATOM 419 CD ARG A 576 -3.292 -23.705 17.301 1.00 0.00 C ATOM 420 NE ARG A 576 -4.674 -24.020 16.867 1.00 0.00 N ATOM 421 CZ ARG A 576 -5.788 -23.600 17.483 1.00 0.00 C ATOM 422 NH1 ARG A 576 -5.727 -22.810 18.551 1.00 0.00 N ATOM 423 NH2 ARG A 576 -6.972 -23.986 17.048 1.00 0.00 N ATOM 0 H ARG A 576 1.417 -25.145 18.112 1.00 0.00 H new ATOM 0 HA ARG A 576 0.122 -25.878 15.829 1.00 0.00 H new ATOM 0 HB2 ARG A 576 -0.879 -25.145 18.073 1.00 0.00 H new ATOM 0 HB3 ARG A 576 -0.636 -23.480 17.584 1.00 0.00 H new ATOM 0 HG2 ARG A 576 -2.129 -24.050 15.518 1.00 0.00 H new ATOM 0 HG3 ARG A 576 -2.559 -25.513 16.381 1.00 0.00 H new ATOM 0 HD2 ARG A 576 -3.189 -23.931 18.362 1.00 0.00 H new ATOM 0 HD3 ARG A 576 -3.114 -22.636 17.184 1.00 0.00 H new ATOM 0 HE ARG A 576 -4.786 -24.601 16.036 1.00 0.00 H new ATOM 0 HH11 ARG A 576 -4.821 -22.513 18.915 1.00 0.00 H new ATOM 0 HH12 ARG A 576 -6.586 -22.501 19.006 1.00 0.00 H new ATOM 0 HH21 ARG A 576 -7.042 -24.606 16.241 1.00 0.00 H new ATOM 0 HH22 ARG A 576 -7.818 -23.665 17.519 1.00 0.00 H new ATOM 437 N TRP A 577 0.952 -22.650 15.646 1.00 0.00 N ATOM 438 CA TRP A 577 1.082 -21.464 14.777 1.00 0.00 C ATOM 439 C TRP A 577 2.221 -21.627 13.757 1.00 0.00 C ATOM 440 O TRP A 577 2.077 -21.235 12.600 1.00 0.00 O ATOM 441 CB TRP A 577 1.277 -20.193 15.647 1.00 0.00 C ATOM 442 CG TRP A 577 0.130 -19.972 16.604 1.00 0.00 C ATOM 443 CD1 TRP A 577 0.126 -20.155 17.961 1.00 0.00 C ATOM 444 CD2 TRP A 577 -1.200 -19.574 16.251 1.00 0.00 C ATOM 445 NE1 TRP A 577 -1.113 -19.877 18.465 1.00 0.00 N ATOM 446 CE2 TRP A 577 -1.945 -19.518 17.439 1.00 0.00 C ATOM 447 CE3 TRP A 577 -1.825 -19.237 15.046 1.00 0.00 C ATOM 448 CZ2 TRP A 577 -3.285 -19.164 17.457 1.00 0.00 C ATOM 449 CZ3 TRP A 577 -3.157 -18.892 15.063 1.00 0.00 C ATOM 450 CH2 TRP A 577 -3.873 -18.850 16.263 1.00 0.00 C ATOM 0 H TRP A 577 1.192 -22.466 16.620 1.00 0.00 H new ATOM 0 HA TRP A 577 0.162 -21.357 14.203 1.00 0.00 H new ATOM 0 HB2 TRP A 577 2.206 -20.280 16.211 1.00 0.00 H new ATOM 0 HB3 TRP A 577 1.378 -19.323 14.998 1.00 0.00 H new ATOM 0 HD1 TRP A 577 0.976 -20.472 18.546 1.00 0.00 H new ATOM 0 HE1 TRP A 577 -1.376 -19.929 19.449 1.00 0.00 H new ATOM 0 HE3 TRP A 577 -1.272 -19.247 14.118 1.00 0.00 H new ATOM 0 HZ2 TRP A 577 -3.844 -19.137 18.380 1.00 0.00 H new ATOM 0 HZ3 TRP A 577 -3.656 -18.650 14.136 1.00 0.00 H new ATOM 0 HH2 TRP A 577 -4.914 -18.563 16.247 1.00 0.00 H new ATOM 461 N LYS A 578 3.330 -22.243 14.182 1.00 0.00 N ATOM 462 CA LYS A 578 4.504 -22.482 13.301 1.00 0.00 C ATOM 463 C LYS A 578 4.168 -23.487 12.176 1.00 0.00 C ATOM 464 O LYS A 578 4.749 -23.444 11.086 1.00 0.00 O ATOM 465 CB LYS A 578 5.713 -22.956 14.148 1.00 0.00 C ATOM 466 CG LYS A 578 6.146 -21.939 15.233 1.00 0.00 C ATOM 467 CD LYS A 578 6.504 -20.548 14.641 1.00 0.00 C ATOM 468 CE LYS A 578 6.835 -19.493 15.717 1.00 0.00 C ATOM 469 NZ LYS A 578 8.039 -19.847 16.516 1.00 0.00 N ATOM 0 H LYS A 578 3.450 -22.591 15.133 1.00 0.00 H new ATOM 0 HA LYS A 578 4.772 -21.543 12.816 1.00 0.00 H new ATOM 0 HB2 LYS A 578 5.461 -23.902 14.628 1.00 0.00 H new ATOM 0 HB3 LYS A 578 6.557 -23.149 13.486 1.00 0.00 H new ATOM 0 HG2 LYS A 578 5.342 -21.824 15.959 1.00 0.00 H new ATOM 0 HG3 LYS A 578 7.008 -22.333 15.771 1.00 0.00 H new ATOM 0 HD2 LYS A 578 7.358 -20.655 13.972 1.00 0.00 H new ATOM 0 HD3 LYS A 578 5.669 -20.192 14.038 1.00 0.00 H new ATOM 0 HE2 LYS A 578 6.994 -18.527 15.237 1.00 0.00 H new ATOM 0 HE3 LYS A 578 5.981 -19.380 16.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 578 8.216 -19.106 17.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 578 7.881 -20.755 16.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 578 8.862 -19.928 15.886 1.00 0.00 H new ATOM 483 N LYS A 579 3.215 -24.384 12.466 1.00 0.00 N ATOM 484 CA LYS A 579 2.649 -25.313 11.477 1.00 0.00 C ATOM 485 C LYS A 579 1.597 -24.601 10.599 1.00 0.00 C ATOM 486 O LYS A 579 1.424 -24.936 9.424 1.00 0.00 O ATOM 487 CB LYS A 579 2.009 -26.514 12.194 1.00 0.00 C ATOM 488 CG LYS A 579 2.981 -27.378 13.023 1.00 0.00 C ATOM 489 CD LYS A 579 2.287 -28.631 13.600 1.00 0.00 C ATOM 490 CE LYS A 579 3.248 -29.574 14.332 1.00 0.00 C ATOM 491 NZ LYS A 579 2.580 -30.851 14.686 1.00 0.00 N ATOM 0 H LYS A 579 2.813 -24.486 13.398 1.00 0.00 H new ATOM 0 HA LYS A 579 3.454 -25.666 10.832 1.00 0.00 H new ATOM 0 HB2 LYS A 579 1.223 -26.146 12.853 1.00 0.00 H new ATOM 0 HB3 LYS A 579 1.530 -27.148 11.449 1.00 0.00 H new ATOM 0 HG2 LYS A 579 3.820 -27.683 12.397 1.00 0.00 H new ATOM 0 HG3 LYS A 579 3.392 -26.782 13.838 1.00 0.00 H new ATOM 0 HD2 LYS A 579 1.502 -28.318 14.288 1.00 0.00 H new ATOM 0 HD3 LYS A 579 1.802 -29.175 12.789 1.00 0.00 H new ATOM 0 HE2 LYS A 579 4.114 -29.776 13.702 1.00 0.00 H new ATOM 0 HE3 LYS A 579 3.618 -29.091 15.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 579 3.254 -31.470 15.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 579 1.768 -30.658 15.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 579 2.249 -31.322 13.820 1.00 0.00 H new ATOM 505 N ILE A 580 0.872 -23.635 11.206 1.00 0.00 N ATOM 506 CA ILE A 580 -0.106 -22.773 10.502 1.00 0.00 C ATOM 507 C ILE A 580 0.616 -21.879 9.461 1.00 0.00 C ATOM 508 O ILE A 580 0.013 -21.442 8.493 1.00 0.00 O ATOM 509 CB ILE A 580 -0.972 -21.925 11.533 1.00 0.00 C ATOM 510 CG1 ILE A 580 -1.918 -22.874 12.343 1.00 0.00 C ATOM 511 CG2 ILE A 580 -1.780 -20.787 10.866 1.00 0.00 C ATOM 512 CD1 ILE A 580 -2.784 -22.212 13.400 1.00 0.00 C ATOM 0 H ILE A 580 0.949 -23.430 12.202 1.00 0.00 H new ATOM 0 HA ILE A 580 -0.806 -23.408 9.958 1.00 0.00 H new ATOM 0 HB ILE A 580 -0.270 -21.439 12.210 1.00 0.00 H new ATOM 0 HG12 ILE A 580 -2.571 -23.390 11.639 1.00 0.00 H new ATOM 0 HG13 ILE A 580 -1.307 -23.635 12.828 1.00 0.00 H new ATOM 0 HG21 ILE A 580 -2.347 -20.250 11.626 1.00 0.00 H new ATOM 0 HG22 ILE A 580 -1.097 -20.099 10.369 1.00 0.00 H new ATOM 0 HG23 ILE A 580 -2.466 -21.210 10.132 1.00 0.00 H new ATOM 0 HD11 ILE A 580 -3.395 -22.967 13.894 1.00 0.00 H new ATOM 0 HD12 ILE A 580 -2.148 -21.721 14.136 1.00 0.00 H new ATOM 0 HD13 ILE A 580 -3.431 -21.472 12.929 1.00 0.00 H new ATOM 524 N ALA A 581 1.917 -21.605 9.693 1.00 0.00 N ATOM 525 CA ALA A 581 2.803 -20.975 8.676 1.00 0.00 C ATOM 526 C ALA A 581 2.864 -21.811 7.384 1.00 0.00 C ATOM 527 O ALA A 581 2.838 -21.265 6.275 1.00 0.00 O ATOM 528 CB ALA A 581 4.221 -20.744 9.240 1.00 0.00 C ATOM 0 H ALA A 581 2.384 -21.809 10.577 1.00 0.00 H new ATOM 0 HA ALA A 581 2.372 -20.005 8.427 1.00 0.00 H new ATOM 0 HB1 ALA A 581 4.846 -20.283 8.475 1.00 0.00 H new ATOM 0 HB2 ALA A 581 4.165 -20.087 10.108 1.00 0.00 H new ATOM 0 HB3 ALA A 581 4.655 -21.699 9.536 1.00 0.00 H new ATOM 534 N GLU A 582 2.919 -23.138 7.551 1.00 0.00 N ATOM 535 CA GLU A 582 3.009 -24.097 6.435 1.00 0.00 C ATOM 536 C GLU A 582 1.641 -24.282 5.745 1.00 0.00 C ATOM 537 O GLU A 582 1.573 -24.704 4.586 1.00 0.00 O ATOM 538 CB GLU A 582 3.573 -25.445 6.955 1.00 0.00 C ATOM 539 CG GLU A 582 4.897 -25.313 7.750 1.00 0.00 C ATOM 540 CD GLU A 582 6.032 -24.646 6.946 1.00 0.00 C ATOM 541 OE1 GLU A 582 6.790 -25.366 6.264 1.00 0.00 O ATOM 542 OE2 GLU A 582 6.172 -23.396 6.981 1.00 0.00 O ATOM 0 H GLU A 582 2.902 -23.583 8.469 1.00 0.00 H new ATOM 0 HA GLU A 582 3.691 -23.702 5.682 1.00 0.00 H new ATOM 0 HB2 GLU A 582 2.825 -25.918 7.592 1.00 0.00 H new ATOM 0 HB3 GLU A 582 3.736 -26.110 6.107 1.00 0.00 H new ATOM 0 HG2 GLU A 582 4.713 -24.732 8.654 1.00 0.00 H new ATOM 0 HG3 GLU A 582 5.221 -26.304 8.068 1.00 0.00 H new ATOM 549 N ALA A 583 0.559 -23.964 6.470 1.00 0.00 N ATOM 550 CA ALA A 583 -0.816 -24.018 5.939 1.00 0.00 C ATOM 551 C ALA A 583 -1.229 -22.672 5.306 1.00 0.00 C ATOM 552 O ALA A 583 -1.995 -22.636 4.332 1.00 0.00 O ATOM 553 CB ALA A 583 -1.787 -24.402 7.063 1.00 0.00 C ATOM 0 H ALA A 583 0.610 -23.661 7.443 1.00 0.00 H new ATOM 0 HA ALA A 583 -0.853 -24.774 5.155 1.00 0.00 H new ATOM 0 HB1 ALA A 583 -2.802 -24.441 6.669 1.00 0.00 H new ATOM 0 HB2 ALA A 583 -1.514 -25.379 7.461 1.00 0.00 H new ATOM 0 HB3 ALA A 583 -1.735 -23.659 7.858 1.00 0.00 H new ATOM 559 N VAL A 584 -0.699 -21.568 5.874 1.00 0.00 N ATOM 560 CA VAL A 584 -1.075 -20.184 5.519 1.00 0.00 C ATOM 561 C VAL A 584 0.203 -19.374 5.219 1.00 0.00 C ATOM 562 O VAL A 584 0.864 -18.897 6.155 1.00 0.00 O ATOM 563 CB VAL A 584 -1.875 -19.448 6.672 1.00 0.00 C ATOM 564 CG1 VAL A 584 -2.487 -18.119 6.169 1.00 0.00 C ATOM 565 CG2 VAL A 584 -2.952 -20.357 7.290 1.00 0.00 C ATOM 0 H VAL A 584 0.013 -21.615 6.603 1.00 0.00 H new ATOM 0 HA VAL A 584 -1.727 -20.244 4.647 1.00 0.00 H new ATOM 0 HB VAL A 584 -1.160 -19.211 7.460 1.00 0.00 H new ATOM 0 HG11 VAL A 584 -3.030 -17.637 6.982 1.00 0.00 H new ATOM 0 HG12 VAL A 584 -1.691 -17.460 5.823 1.00 0.00 H new ATOM 0 HG13 VAL A 584 -3.172 -18.322 5.346 1.00 0.00 H new ATOM 0 HG21 VAL A 584 -3.478 -19.815 8.076 1.00 0.00 H new ATOM 0 HG22 VAL A 584 -3.662 -20.657 6.519 1.00 0.00 H new ATOM 0 HG23 VAL A 584 -2.480 -21.244 7.713 1.00 0.00 H new ATOM 575 N PRO A 585 0.616 -19.263 3.926 1.00 0.00 N ATOM 576 CA PRO A 585 1.637 -18.286 3.506 1.00 0.00 C ATOM 577 C PRO A 585 1.012 -16.887 3.321 1.00 0.00 C ATOM 578 O PRO A 585 -0.221 -16.729 3.405 1.00 0.00 O ATOM 579 CB PRO A 585 2.148 -18.883 2.175 1.00 0.00 C ATOM 580 CG PRO A 585 0.956 -19.585 1.593 1.00 0.00 C ATOM 581 CD PRO A 585 0.153 -20.104 2.779 1.00 0.00 C ATOM 0 HA PRO A 585 2.437 -18.137 4.232 1.00 0.00 H new ATOM 0 HB2 PRO A 585 2.515 -18.104 1.506 1.00 0.00 H new ATOM 0 HB3 PRO A 585 2.973 -19.575 2.342 1.00 0.00 H new ATOM 0 HG2 PRO A 585 0.360 -18.903 0.987 1.00 0.00 H new ATOM 0 HG3 PRO A 585 1.264 -20.404 0.943 1.00 0.00 H new ATOM 0 HD2 PRO A 585 -0.919 -19.997 2.613 1.00 0.00 H new ATOM 0 HD3 PRO A 585 0.344 -21.162 2.958 1.00 0.00 H new ATOM 589 N GLY A 586 1.857 -15.869 3.113 1.00 0.00 N ATOM 590 CA GLY A 586 1.383 -14.510 2.807 1.00 0.00 C ATOM 591 C GLY A 586 1.014 -13.677 4.035 1.00 0.00 C ATOM 592 O GLY A 586 1.210 -12.458 4.038 1.00 0.00 O ATOM 0 H GLY A 586 2.872 -15.959 3.151 1.00 0.00 H new ATOM 0 HA2 GLY A 586 2.158 -13.986 2.247 1.00 0.00 H new ATOM 0 HA3 GLY A 586 0.512 -14.580 2.156 1.00 0.00 H new ATOM 596 N ARG A 587 0.422 -14.323 5.058 1.00 0.00 N ATOM 597 CA ARG A 587 0.067 -13.687 6.341 1.00 0.00 C ATOM 598 C ARG A 587 0.926 -14.269 7.462 1.00 0.00 C ATOM 599 O ARG A 587 1.168 -15.485 7.504 1.00 0.00 O ATOM 600 CB ARG A 587 -1.432 -13.884 6.681 1.00 0.00 C ATOM 601 CG ARG A 587 -2.404 -13.274 5.656 1.00 0.00 C ATOM 602 CD ARG A 587 -2.232 -11.752 5.480 1.00 0.00 C ATOM 603 NE ARG A 587 -3.066 -11.236 4.381 1.00 0.00 N ATOM 604 CZ ARG A 587 -2.762 -11.317 3.070 1.00 0.00 C ATOM 605 NH1 ARG A 587 -1.575 -11.766 2.667 1.00 0.00 N ATOM 606 NH2 ARG A 587 -3.641 -10.919 2.176 1.00 0.00 N ATOM 0 H ARG A 587 0.174 -15.312 5.016 1.00 0.00 H new ATOM 0 HA ARG A 587 0.254 -12.617 6.246 1.00 0.00 H new ATOM 0 HB2 ARG A 587 -1.635 -14.952 6.765 1.00 0.00 H new ATOM 0 HB3 ARG A 587 -1.631 -13.444 7.658 1.00 0.00 H new ATOM 0 HG2 ARG A 587 -2.258 -13.763 4.693 1.00 0.00 H new ATOM 0 HG3 ARG A 587 -3.427 -13.483 5.968 1.00 0.00 H new ATOM 0 HD2 ARG A 587 -2.498 -11.245 6.408 1.00 0.00 H new ATOM 0 HD3 ARG A 587 -1.185 -11.524 5.281 1.00 0.00 H new ATOM 0 HE ARG A 587 -3.944 -10.781 4.632 1.00 0.00 H new ATOM 0 HH11 ARG A 587 -0.879 -12.055 3.354 1.00 0.00 H new ATOM 0 HH12 ARG A 587 -1.362 -11.821 1.671 1.00 0.00 H new ATOM 0 HH21 ARG A 587 -4.544 -10.553 2.477 1.00 0.00 H new ATOM 0 HH22 ARG A 587 -3.419 -10.977 1.182 1.00 0.00 H new ATOM 620 N THR A 588 1.354 -13.385 8.372 1.00 0.00 N ATOM 621 CA THR A 588 2.206 -13.716 9.509 1.00 0.00 C ATOM 622 C THR A 588 1.358 -14.302 10.655 1.00 0.00 C ATOM 623 O THR A 588 0.137 -14.098 10.712 1.00 0.00 O ATOM 624 CB THR A 588 2.953 -12.418 9.965 1.00 0.00 C ATOM 625 OG1 THR A 588 3.492 -11.756 8.809 1.00 0.00 O ATOM 626 CG2 THR A 588 4.091 -12.691 10.953 1.00 0.00 C ATOM 0 H THR A 588 1.108 -12.396 8.332 1.00 0.00 H new ATOM 0 HA THR A 588 2.939 -14.470 9.224 1.00 0.00 H new ATOM 0 HB THR A 588 2.222 -11.794 10.479 1.00 0.00 H new ATOM 0 HG1 THR A 588 3.960 -10.941 9.087 1.00 0.00 H new ATOM 0 HG21 THR A 588 4.567 -11.750 11.229 1.00 0.00 H new ATOM 0 HG22 THR A 588 3.690 -13.170 11.846 1.00 0.00 H new ATOM 0 HG23 THR A 588 4.827 -13.347 10.488 1.00 0.00 H new ATOM 634 N LYS A 589 2.015 -15.044 11.557 1.00 0.00 N ATOM 635 CA LYS A 589 1.343 -15.770 12.653 1.00 0.00 C ATOM 636 C LYS A 589 0.768 -14.831 13.710 1.00 0.00 C ATOM 637 O LYS A 589 -0.197 -15.195 14.375 1.00 0.00 O ATOM 638 CB LYS A 589 2.307 -16.819 13.268 1.00 0.00 C ATOM 639 CG LYS A 589 2.371 -18.182 12.519 1.00 0.00 C ATOM 640 CD LYS A 589 2.415 -18.089 10.960 1.00 0.00 C ATOM 641 CE LYS A 589 1.028 -18.186 10.279 1.00 0.00 C ATOM 642 NZ LYS A 589 1.104 -17.989 8.808 1.00 0.00 N ATOM 0 H LYS A 589 3.028 -15.160 11.551 1.00 0.00 H new ATOM 0 HA LYS A 589 0.488 -16.297 12.229 1.00 0.00 H new ATOM 0 HB2 LYS A 589 3.310 -16.393 13.299 1.00 0.00 H new ATOM 0 HB3 LYS A 589 2.007 -17.004 14.299 1.00 0.00 H new ATOM 0 HG2 LYS A 589 3.254 -18.723 12.859 1.00 0.00 H new ATOM 0 HG3 LYS A 589 1.503 -18.776 12.806 1.00 0.00 H new ATOM 0 HD2 LYS A 589 2.881 -17.145 10.677 1.00 0.00 H new ATOM 0 HD3 LYS A 589 3.052 -18.887 10.577 1.00 0.00 H new ATOM 0 HE2 LYS A 589 0.590 -19.162 10.490 1.00 0.00 H new ATOM 0 HE3 LYS A 589 0.362 -17.438 10.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 589 0.670 -17.078 8.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 589 2.100 -17.992 8.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 589 0.595 -18.759 8.328 1.00 0.00 H new ATOM 656 N LYS A 590 1.350 -13.626 13.840 1.00 0.00 N ATOM 657 CA LYS A 590 0.791 -12.565 14.689 1.00 0.00 C ATOM 658 C LYS A 590 -0.640 -12.200 14.209 1.00 0.00 C ATOM 659 O LYS A 590 -1.549 -12.082 15.028 1.00 0.00 O ATOM 660 CB LYS A 590 1.712 -11.312 14.698 1.00 0.00 C ATOM 661 CG LYS A 590 1.987 -10.711 13.304 1.00 0.00 C ATOM 662 CD LYS A 590 2.752 -9.376 13.355 1.00 0.00 C ATOM 663 CE LYS A 590 2.995 -8.781 11.957 1.00 0.00 C ATOM 664 NZ LYS A 590 3.690 -7.472 12.027 1.00 0.00 N ATOM 0 H LYS A 590 2.213 -13.364 13.364 1.00 0.00 H new ATOM 0 HA LYS A 590 0.732 -12.935 15.712 1.00 0.00 H new ATOM 0 HB2 LYS A 590 1.257 -10.547 15.327 1.00 0.00 H new ATOM 0 HB3 LYS A 590 2.663 -11.579 15.159 1.00 0.00 H new ATOM 0 HG2 LYS A 590 2.559 -11.427 12.714 1.00 0.00 H new ATOM 0 HG3 LYS A 590 1.039 -10.559 12.788 1.00 0.00 H new ATOM 0 HD2 LYS A 590 2.190 -8.662 13.957 1.00 0.00 H new ATOM 0 HD3 LYS A 590 3.710 -9.529 13.853 1.00 0.00 H new ATOM 0 HE2 LYS A 590 3.589 -9.477 11.365 1.00 0.00 H new ATOM 0 HE3 LYS A 590 2.041 -8.659 11.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 590 3.835 -7.104 11.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 590 3.111 -6.800 12.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 590 4.611 -7.593 12.494 1.00 0.00 H new ATOM 678 N ASP A 591 -0.818 -12.084 12.868 1.00 0.00 N ATOM 679 CA ASP A 591 -2.127 -11.792 12.225 1.00 0.00 C ATOM 680 C ASP A 591 -3.101 -12.958 12.436 1.00 0.00 C ATOM 681 O ASP A 591 -4.305 -12.751 12.620 1.00 0.00 O ATOM 682 CB ASP A 591 -1.960 -11.546 10.696 1.00 0.00 C ATOM 683 CG ASP A 591 -1.079 -10.334 10.354 1.00 0.00 C ATOM 684 OD1 ASP A 591 0.160 -10.440 10.486 1.00 0.00 O ATOM 685 OD2 ASP A 591 -1.614 -9.277 9.950 1.00 0.00 O ATOM 0 H ASP A 591 -0.055 -12.191 12.199 1.00 0.00 H new ATOM 0 HA ASP A 591 -2.525 -10.890 12.690 1.00 0.00 H new ATOM 0 HB2 ASP A 591 -1.529 -12.437 10.239 1.00 0.00 H new ATOM 0 HB3 ASP A 591 -2.945 -11.404 10.251 1.00 0.00 H new ATOM 690 N CYS A 592 -2.552 -14.187 12.374 1.00 0.00 N ATOM 691 CA CYS A 592 -3.315 -15.436 12.572 1.00 0.00 C ATOM 692 C CYS A 592 -3.844 -15.546 14.014 1.00 0.00 C ATOM 693 O CYS A 592 -4.956 -16.030 14.241 1.00 0.00 O ATOM 694 CB CYS A 592 -2.423 -16.645 12.214 1.00 0.00 C ATOM 695 SG CYS A 592 -1.804 -16.594 10.524 1.00 0.00 S ATOM 0 H CYS A 592 -1.562 -14.342 12.184 1.00 0.00 H new ATOM 0 HA CYS A 592 -4.183 -15.426 11.912 1.00 0.00 H new ATOM 0 HB2 CYS A 592 -1.579 -16.682 12.902 1.00 0.00 H new ATOM 0 HB3 CYS A 592 -2.992 -17.563 12.358 1.00 0.00 H new ATOM 0 HG CYS A 592 -2.488 -15.728 9.837 1.00 0.00 H new ATOM 701 N MET A 593 -3.032 -15.071 14.973 1.00 0.00 N ATOM 702 CA MET A 593 -3.393 -15.044 16.406 1.00 0.00 C ATOM 703 C MET A 593 -4.507 -14.013 16.658 1.00 0.00 C ATOM 704 O MET A 593 -5.439 -14.280 17.418 1.00 0.00 O ATOM 705 CB MET A 593 -2.147 -14.713 17.271 1.00 0.00 C ATOM 706 CG MET A 593 -1.047 -15.783 17.257 1.00 0.00 C ATOM 707 SD MET A 593 0.475 -15.211 18.051 1.00 0.00 S ATOM 708 CE MET A 593 1.643 -16.493 17.587 1.00 0.00 C ATOM 0 H MET A 593 -2.104 -14.694 14.779 1.00 0.00 H new ATOM 0 HA MET A 593 -3.761 -16.030 16.689 1.00 0.00 H new ATOM 0 HB2 MET A 593 -1.722 -13.771 16.924 1.00 0.00 H new ATOM 0 HB3 MET A 593 -2.469 -14.557 18.301 1.00 0.00 H new ATOM 0 HG2 MET A 593 -1.406 -16.677 17.766 1.00 0.00 H new ATOM 0 HG3 MET A 593 -0.832 -16.067 16.227 1.00 0.00 H new ATOM 0 HE1 MET A 593 2.660 -16.113 17.690 1.00 0.00 H new ATOM 0 HE2 MET A 593 1.511 -17.358 18.237 1.00 0.00 H new ATOM 0 HE3 MET A 593 1.468 -16.787 16.552 1.00 0.00 H new ATOM 718 N LYS A 594 -4.388 -12.834 16.000 1.00 0.00 N ATOM 719 CA LYS A 594 -5.402 -11.752 16.074 1.00 0.00 C ATOM 720 C LYS A 594 -6.737 -12.215 15.487 1.00 0.00 C ATOM 721 O LYS A 594 -7.794 -11.982 16.071 1.00 0.00 O ATOM 722 CB LYS A 594 -4.956 -10.477 15.301 1.00 0.00 C ATOM 723 CG LYS A 594 -3.622 -9.868 15.749 1.00 0.00 C ATOM 724 CD LYS A 594 -3.587 -9.456 17.235 1.00 0.00 C ATOM 725 CE LYS A 594 -2.202 -8.923 17.644 1.00 0.00 C ATOM 726 NZ LYS A 594 -1.118 -9.893 17.328 1.00 0.00 N ATOM 0 H LYS A 594 -3.591 -12.606 15.406 1.00 0.00 H new ATOM 0 HA LYS A 594 -5.512 -11.511 17.131 1.00 0.00 H new ATOM 0 HB2 LYS A 594 -4.886 -10.721 14.241 1.00 0.00 H new ATOM 0 HB3 LYS A 594 -5.734 -9.720 15.403 1.00 0.00 H new ATOM 0 HG2 LYS A 594 -2.825 -10.588 15.564 1.00 0.00 H new ATOM 0 HG3 LYS A 594 -3.410 -8.993 15.135 1.00 0.00 H new ATOM 0 HD2 LYS A 594 -4.341 -8.690 17.418 1.00 0.00 H new ATOM 0 HD3 LYS A 594 -3.846 -10.313 17.857 1.00 0.00 H new ATOM 0 HE2 LYS A 594 -2.009 -7.982 17.129 1.00 0.00 H new ATOM 0 HE3 LYS A 594 -2.197 -8.708 18.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 594 -0.247 -9.613 17.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 594 -1.402 -10.844 17.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 594 -0.947 -9.900 16.302 1.00 0.00 H new ATOM 740 N ARG A 595 -6.658 -12.885 14.325 1.00 0.00 N ATOM 741 CA ARG A 595 -7.843 -13.252 13.538 1.00 0.00 C ATOM 742 C ARG A 595 -8.618 -14.374 14.238 1.00 0.00 C ATOM 743 O ARG A 595 -9.841 -14.310 14.354 1.00 0.00 O ATOM 744 CB ARG A 595 -7.449 -13.681 12.096 1.00 0.00 C ATOM 745 CG ARG A 595 -8.615 -13.648 11.082 1.00 0.00 C ATOM 746 CD ARG A 595 -9.219 -12.243 11.008 1.00 0.00 C ATOM 747 NE ARG A 595 -10.310 -12.118 10.044 1.00 0.00 N ATOM 748 CZ ARG A 595 -11.064 -11.024 9.903 1.00 0.00 C ATOM 749 NH1 ARG A 595 -10.920 -9.970 10.709 1.00 0.00 N ATOM 750 NH2 ARG A 595 -11.993 -10.997 8.980 1.00 0.00 N ATOM 0 H ARG A 595 -5.776 -13.185 13.909 1.00 0.00 H new ATOM 0 HA ARG A 595 -8.485 -12.374 13.463 1.00 0.00 H new ATOM 0 HB2 ARG A 595 -6.654 -13.026 11.739 1.00 0.00 H new ATOM 0 HB3 ARG A 595 -7.040 -14.691 12.129 1.00 0.00 H new ATOM 0 HG2 ARG A 595 -8.258 -13.949 10.097 1.00 0.00 H new ATOM 0 HG3 ARG A 595 -9.381 -14.365 11.376 1.00 0.00 H new ATOM 0 HD2 ARG A 595 -9.586 -11.963 11.996 1.00 0.00 H new ATOM 0 HD3 ARG A 595 -8.434 -11.534 10.747 1.00 0.00 H new ATOM 0 HE ARG A 595 -10.508 -12.916 9.441 1.00 0.00 H new ATOM 0 HH11 ARG A 595 -10.222 -9.988 11.453 1.00 0.00 H new ATOM 0 HH12 ARG A 595 -11.508 -9.146 10.581 1.00 0.00 H new ATOM 0 HH21 ARG A 595 -12.136 -11.807 8.376 1.00 0.00 H new ATOM 0 HH22 ARG A 595 -12.574 -10.166 8.865 1.00 0.00 H new ATOM 764 N TYR A 596 -7.876 -15.389 14.712 1.00 0.00 N ATOM 765 CA TYR A 596 -8.434 -16.497 15.506 1.00 0.00 C ATOM 766 C TYR A 596 -8.987 -15.983 16.840 1.00 0.00 C ATOM 767 O TYR A 596 -9.986 -16.518 17.338 1.00 0.00 O ATOM 768 CB TYR A 596 -7.355 -17.575 15.740 1.00 0.00 C ATOM 769 CG TYR A 596 -7.721 -18.691 16.733 1.00 0.00 C ATOM 770 CD1 TYR A 596 -8.805 -19.541 16.508 1.00 0.00 C ATOM 771 CD2 TYR A 596 -6.961 -18.908 17.885 1.00 0.00 C ATOM 772 CE1 TYR A 596 -9.119 -20.555 17.394 1.00 0.00 C ATOM 773 CE2 TYR A 596 -7.268 -19.922 18.765 1.00 0.00 C ATOM 774 CZ TYR A 596 -8.344 -20.746 18.516 1.00 0.00 C ATOM 775 OH TYR A 596 -8.639 -21.771 19.396 1.00 0.00 O ATOM 0 H TYR A 596 -6.871 -15.464 14.555 1.00 0.00 H new ATOM 0 HA TYR A 596 -9.259 -16.944 14.951 1.00 0.00 H new ATOM 0 HB2 TYR A 596 -7.114 -18.034 14.781 1.00 0.00 H new ATOM 0 HB3 TYR A 596 -6.449 -17.083 16.095 1.00 0.00 H new ATOM 0 HD1 TYR A 596 -9.411 -19.404 15.624 1.00 0.00 H new ATOM 0 HD2 TYR A 596 -6.116 -18.268 18.090 1.00 0.00 H new ATOM 0 HE1 TYR A 596 -9.969 -21.195 17.207 1.00 0.00 H new ATOM 0 HE2 TYR A 596 -6.666 -20.071 19.649 1.00 0.00 H new ATOM 0 HH TYR A 596 -9.054 -22.512 18.907 1.00 0.00 H new ATOM 785 N LYS A 597 -8.327 -14.952 17.409 1.00 0.00 N ATOM 786 CA LYS A 597 -8.818 -14.288 18.626 1.00 0.00 C ATOM 787 C LYS A 597 -10.200 -13.680 18.355 1.00 0.00 C ATOM 788 O LYS A 597 -11.126 -13.911 19.114 1.00 0.00 O ATOM 789 CB LYS A 597 -7.854 -13.190 19.142 1.00 0.00 C ATOM 790 CG LYS A 597 -8.307 -12.535 20.473 1.00 0.00 C ATOM 791 CD LYS A 597 -7.400 -11.370 20.907 1.00 0.00 C ATOM 792 CE LYS A 597 -7.822 -10.769 22.261 1.00 0.00 C ATOM 793 NZ LYS A 597 -6.966 -9.618 22.647 1.00 0.00 N ATOM 0 H LYS A 597 -7.457 -14.566 17.044 1.00 0.00 H new ATOM 0 HA LYS A 597 -8.882 -15.047 19.406 1.00 0.00 H new ATOM 0 HB2 LYS A 597 -6.864 -13.624 19.280 1.00 0.00 H new ATOM 0 HB3 LYS A 597 -7.759 -12.416 18.381 1.00 0.00 H new ATOM 0 HG2 LYS A 597 -9.329 -12.172 20.364 1.00 0.00 H new ATOM 0 HG3 LYS A 597 -8.319 -13.291 21.258 1.00 0.00 H new ATOM 0 HD2 LYS A 597 -6.370 -11.721 20.974 1.00 0.00 H new ATOM 0 HD3 LYS A 597 -7.423 -10.592 20.144 1.00 0.00 H new ATOM 0 HE2 LYS A 597 -8.862 -10.446 22.207 1.00 0.00 H new ATOM 0 HE3 LYS A 597 -7.767 -11.537 23.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 597 -7.282 -9.242 23.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 597 -5.977 -9.931 22.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 597 -7.038 -8.874 21.924 1.00 0.00 H new ATOM 807 N GLU A 598 -10.329 -12.958 17.222 1.00 0.00 N ATOM 808 CA GLU A 598 -11.603 -12.354 16.798 1.00 0.00 C ATOM 809 C GLU A 598 -12.689 -13.433 16.662 1.00 0.00 C ATOM 810 O GLU A 598 -13.784 -13.268 17.185 1.00 0.00 O ATOM 811 CB GLU A 598 -11.450 -11.594 15.456 1.00 0.00 C ATOM 812 CG GLU A 598 -10.529 -10.367 15.518 1.00 0.00 C ATOM 813 CD GLU A 598 -10.432 -9.638 14.172 1.00 0.00 C ATOM 814 OE1 GLU A 598 -9.562 -9.993 13.352 1.00 0.00 O ATOM 815 OE2 GLU A 598 -11.235 -8.711 13.921 1.00 0.00 O ATOM 0 H GLU A 598 -9.556 -12.780 16.581 1.00 0.00 H new ATOM 0 HA GLU A 598 -11.899 -11.638 17.565 1.00 0.00 H new ATOM 0 HB2 GLU A 598 -11.065 -12.284 14.705 1.00 0.00 H new ATOM 0 HB3 GLU A 598 -12.436 -11.275 15.120 1.00 0.00 H new ATOM 0 HG2 GLU A 598 -10.899 -9.677 16.276 1.00 0.00 H new ATOM 0 HG3 GLU A 598 -9.533 -10.680 15.831 1.00 0.00 H new ATOM 822 N LEU A 599 -12.344 -14.553 15.996 1.00 0.00 N ATOM 823 CA LEU A 599 -13.284 -15.667 15.761 1.00 0.00 C ATOM 824 C LEU A 599 -13.820 -16.228 17.099 1.00 0.00 C ATOM 825 O LEU A 599 -15.031 -16.214 17.332 1.00 0.00 O ATOM 826 CB LEU A 599 -12.608 -16.796 14.924 1.00 0.00 C ATOM 827 CG LEU A 599 -12.098 -16.392 13.500 1.00 0.00 C ATOM 828 CD1 LEU A 599 -11.417 -17.580 12.781 1.00 0.00 C ATOM 829 CD2 LEU A 599 -13.228 -15.784 12.636 1.00 0.00 C ATOM 0 H LEU A 599 -11.414 -14.710 15.609 1.00 0.00 H new ATOM 0 HA LEU A 599 -14.129 -15.279 15.192 1.00 0.00 H new ATOM 0 HB2 LEU A 599 -11.763 -17.185 15.493 1.00 0.00 H new ATOM 0 HB3 LEU A 599 -13.321 -17.613 14.813 1.00 0.00 H new ATOM 0 HG LEU A 599 -11.344 -15.617 13.639 1.00 0.00 H new ATOM 0 HD11 LEU A 599 -11.076 -17.262 11.796 1.00 0.00 H new ATOM 0 HD12 LEU A 599 -10.564 -17.920 13.368 1.00 0.00 H new ATOM 0 HD13 LEU A 599 -12.131 -18.397 12.672 1.00 0.00 H new ATOM 0 HD21 LEU A 599 -12.833 -15.517 11.656 1.00 0.00 H new ATOM 0 HD22 LEU A 599 -14.029 -16.514 12.518 1.00 0.00 H new ATOM 0 HD23 LEU A 599 -13.620 -14.892 13.125 1.00 0.00 H new ATOM 841 N VAL A 600 -12.899 -16.629 17.998 1.00 0.00 N ATOM 842 CA VAL A 600 -13.252 -17.302 19.266 1.00 0.00 C ATOM 843 C VAL A 600 -13.968 -16.332 20.248 1.00 0.00 C ATOM 844 O VAL A 600 -14.906 -16.731 20.954 1.00 0.00 O ATOM 845 CB VAL A 600 -11.981 -17.966 19.940 1.00 0.00 C ATOM 846 CG1 VAL A 600 -10.958 -16.921 20.450 1.00 0.00 C ATOM 847 CG2 VAL A 600 -12.382 -18.952 21.060 1.00 0.00 C ATOM 0 H VAL A 600 -11.896 -16.497 17.868 1.00 0.00 H new ATOM 0 HA VAL A 600 -13.954 -18.100 19.025 1.00 0.00 H new ATOM 0 HB VAL A 600 -11.481 -18.534 19.156 1.00 0.00 H new ATOM 0 HG11 VAL A 600 -10.109 -17.434 20.902 1.00 0.00 H new ATOM 0 HG12 VAL A 600 -10.612 -16.313 19.614 1.00 0.00 H new ATOM 0 HG13 VAL A 600 -11.432 -16.280 21.193 1.00 0.00 H new ATOM 0 HG21 VAL A 600 -11.485 -19.388 21.499 1.00 0.00 H new ATOM 0 HG22 VAL A 600 -12.941 -18.420 21.830 1.00 0.00 H new ATOM 0 HG23 VAL A 600 -13.003 -19.744 20.642 1.00 0.00 H new ATOM 857 N GLU A 601 -13.551 -15.050 20.236 1.00 0.00 N ATOM 858 CA GLU A 601 -14.151 -14.001 21.081 1.00 0.00 C ATOM 859 C GLU A 601 -15.589 -13.704 20.640 1.00 0.00 C ATOM 860 O GLU A 601 -16.493 -13.718 21.462 1.00 0.00 O ATOM 861 CB GLU A 601 -13.301 -12.699 21.061 1.00 0.00 C ATOM 862 CG GLU A 601 -11.977 -12.779 21.851 1.00 0.00 C ATOM 863 CD GLU A 601 -12.176 -12.982 23.361 1.00 0.00 C ATOM 864 OE1 GLU A 601 -12.627 -12.032 24.040 1.00 0.00 O ATOM 865 OE2 GLU A 601 -11.900 -14.091 23.875 1.00 0.00 O ATOM 0 H GLU A 601 -12.792 -14.715 19.643 1.00 0.00 H new ATOM 0 HA GLU A 601 -14.169 -14.375 22.104 1.00 0.00 H new ATOM 0 HB2 GLU A 601 -13.075 -12.445 20.025 1.00 0.00 H new ATOM 0 HB3 GLU A 601 -13.901 -11.884 21.466 1.00 0.00 H new ATOM 0 HG2 GLU A 601 -11.378 -13.600 21.458 1.00 0.00 H new ATOM 0 HG3 GLU A 601 -11.409 -11.863 21.687 1.00 0.00 H new ATOM 872 N MET A 602 -15.782 -13.474 19.328 1.00 0.00 N ATOM 873 CA MET A 602 -17.087 -13.067 18.766 1.00 0.00 C ATOM 874 C MET A 602 -18.132 -14.190 18.882 1.00 0.00 C ATOM 875 O MET A 602 -19.282 -13.909 19.202 1.00 0.00 O ATOM 876 CB MET A 602 -16.960 -12.603 17.285 1.00 0.00 C ATOM 877 CG MET A 602 -16.199 -11.277 17.074 1.00 0.00 C ATOM 878 SD MET A 602 -16.178 -10.739 15.343 1.00 0.00 S ATOM 879 CE MET A 602 -15.419 -12.140 14.502 1.00 0.00 C ATOM 0 H MET A 602 -15.044 -13.564 18.630 1.00 0.00 H new ATOM 0 HA MET A 602 -17.429 -12.219 19.360 1.00 0.00 H new ATOM 0 HB2 MET A 602 -16.457 -13.386 16.718 1.00 0.00 H new ATOM 0 HB3 MET A 602 -17.961 -12.499 16.867 1.00 0.00 H new ATOM 0 HG2 MET A 602 -16.659 -10.500 17.685 1.00 0.00 H new ATOM 0 HG3 MET A 602 -15.174 -11.393 17.425 1.00 0.00 H new ATOM 0 HE1 MET A 602 -15.270 -11.896 13.450 1.00 0.00 H new ATOM 0 HE2 MET A 602 -14.457 -12.363 14.963 1.00 0.00 H new ATOM 0 HE3 MET A 602 -16.071 -13.010 14.583 1.00 0.00 H new ATOM 889 N VAL A 603 -17.730 -15.462 18.636 1.00 0.00 N ATOM 890 CA VAL A 603 -18.678 -16.602 18.658 1.00 0.00 C ATOM 891 C VAL A 603 -19.145 -16.920 20.093 1.00 0.00 C ATOM 892 O VAL A 603 -20.319 -17.227 20.312 1.00 0.00 O ATOM 893 CB VAL A 603 -18.098 -17.910 17.978 1.00 0.00 C ATOM 894 CG1 VAL A 603 -17.763 -17.664 16.490 1.00 0.00 C ATOM 895 CG2 VAL A 603 -16.869 -18.478 18.741 1.00 0.00 C ATOM 0 H VAL A 603 -16.767 -15.722 18.423 1.00 0.00 H new ATOM 0 HA VAL A 603 -19.535 -16.281 18.065 1.00 0.00 H new ATOM 0 HB VAL A 603 -18.881 -18.666 18.030 1.00 0.00 H new ATOM 0 HG11 VAL A 603 -17.367 -18.579 16.050 1.00 0.00 H new ATOM 0 HG12 VAL A 603 -18.667 -17.367 15.958 1.00 0.00 H new ATOM 0 HG13 VAL A 603 -17.019 -16.872 16.411 1.00 0.00 H new ATOM 0 HG21 VAL A 603 -16.509 -19.374 18.235 1.00 0.00 H new ATOM 0 HG22 VAL A 603 -16.076 -17.730 18.762 1.00 0.00 H new ATOM 0 HG23 VAL A 603 -17.158 -18.729 19.761 1.00 0.00 H new ATOM 905 N LYS A 604 -18.215 -16.842 21.068 1.00 0.00 N ATOM 906 CA LYS A 604 -18.525 -17.135 22.481 1.00 0.00 C ATOM 907 C LYS A 604 -19.215 -15.945 23.162 1.00 0.00 C ATOM 908 O LYS A 604 -20.005 -16.137 24.081 1.00 0.00 O ATOM 909 CB LYS A 604 -17.250 -17.560 23.240 1.00 0.00 C ATOM 910 CG LYS A 604 -16.662 -18.903 22.748 1.00 0.00 C ATOM 911 CD LYS A 604 -15.403 -19.328 23.535 1.00 0.00 C ATOM 912 CE LYS A 604 -14.869 -20.706 23.108 1.00 0.00 C ATOM 913 NZ LYS A 604 -13.682 -21.115 23.907 1.00 0.00 N ATOM 0 H LYS A 604 -17.244 -16.579 20.901 1.00 0.00 H new ATOM 0 HA LYS A 604 -19.226 -17.969 22.507 1.00 0.00 H new ATOM 0 HB2 LYS A 604 -16.496 -16.781 23.133 1.00 0.00 H new ATOM 0 HB3 LYS A 604 -17.478 -17.639 24.303 1.00 0.00 H new ATOM 0 HG2 LYS A 604 -17.420 -19.681 22.837 1.00 0.00 H new ATOM 0 HG3 LYS A 604 -16.413 -18.820 21.690 1.00 0.00 H new ATOM 0 HD2 LYS A 604 -14.622 -18.581 23.393 1.00 0.00 H new ATOM 0 HD3 LYS A 604 -15.635 -19.348 24.600 1.00 0.00 H new ATOM 0 HE2 LYS A 604 -15.657 -21.451 23.221 1.00 0.00 H new ATOM 0 HE3 LYS A 604 -14.604 -20.681 22.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 604 -13.354 -22.049 23.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 604 -12.921 -20.418 23.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 604 -13.941 -21.165 24.913 1.00 0.00 H new ATOM 927 N ALA A 605 -18.914 -14.720 22.698 1.00 0.00 N ATOM 928 CA ALA A 605 -19.600 -13.491 23.164 1.00 0.00 C ATOM 929 C ALA A 605 -21.033 -13.449 22.613 1.00 0.00 C ATOM 930 O ALA A 605 -21.954 -13.008 23.298 1.00 0.00 O ATOM 931 CB ALA A 605 -18.832 -12.225 22.739 1.00 0.00 C ATOM 0 H ALA A 605 -18.195 -14.549 21.995 1.00 0.00 H new ATOM 0 HA ALA A 605 -19.632 -13.514 24.253 1.00 0.00 H new ATOM 0 HB1 ALA A 605 -19.361 -11.341 23.096 1.00 0.00 H new ATOM 0 HB2 ALA A 605 -17.830 -12.246 23.168 1.00 0.00 H new ATOM 0 HB3 ALA A 605 -18.761 -12.191 21.652 1.00 0.00 H new ATOM 937 N LYS A 606 -21.192 -13.927 21.366 1.00 0.00 N ATOM 938 CA LYS A 606 -22.496 -14.011 20.684 1.00 0.00 C ATOM 939 C LYS A 606 -23.401 -15.020 21.397 1.00 0.00 C ATOM 940 O LYS A 606 -24.541 -14.707 21.750 1.00 0.00 O ATOM 941 CB LYS A 606 -22.304 -14.423 19.195 1.00 0.00 C ATOM 942 CG LYS A 606 -23.586 -14.554 18.319 1.00 0.00 C ATOM 943 CD LYS A 606 -24.253 -13.197 17.940 1.00 0.00 C ATOM 944 CE LYS A 606 -25.134 -12.600 19.055 1.00 0.00 C ATOM 945 NZ LYS A 606 -25.721 -11.300 18.667 1.00 0.00 N ATOM 0 H LYS A 606 -20.415 -14.268 20.800 1.00 0.00 H new ATOM 0 HA LYS A 606 -22.969 -13.029 20.716 1.00 0.00 H new ATOM 0 HB2 LYS A 606 -21.647 -13.691 18.725 1.00 0.00 H new ATOM 0 HB3 LYS A 606 -21.782 -15.380 19.174 1.00 0.00 H new ATOM 0 HG2 LYS A 606 -23.332 -15.087 17.403 1.00 0.00 H new ATOM 0 HG3 LYS A 606 -24.314 -15.165 18.852 1.00 0.00 H new ATOM 0 HD2 LYS A 606 -23.474 -12.480 17.683 1.00 0.00 H new ATOM 0 HD3 LYS A 606 -24.862 -13.340 17.047 1.00 0.00 H new ATOM 0 HE2 LYS A 606 -25.934 -13.300 19.298 1.00 0.00 H new ATOM 0 HE3 LYS A 606 -24.537 -12.472 19.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 606 -26.305 -10.936 19.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 606 -24.959 -10.623 18.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 606 -26.312 -11.425 17.821 1.00 0.00 H new ATOM 959 N LYS A 607 -22.848 -16.222 21.617 1.00 0.00 N ATOM 960 CA LYS A 607 -23.547 -17.329 22.280 1.00 0.00 C ATOM 961 C LYS A 607 -23.918 -16.955 23.721 1.00 0.00 C ATOM 962 O LYS A 607 -25.048 -17.183 24.145 1.00 0.00 O ATOM 963 CB LYS A 607 -22.665 -18.603 22.266 1.00 0.00 C ATOM 964 CG LYS A 607 -23.308 -19.844 22.933 1.00 0.00 C ATOM 965 CD LYS A 607 -22.383 -21.082 22.918 1.00 0.00 C ATOM 966 CE LYS A 607 -22.082 -21.593 21.496 1.00 0.00 C ATOM 967 NZ LYS A 607 -21.204 -22.791 21.520 1.00 0.00 N ATOM 0 H LYS A 607 -21.895 -16.453 21.337 1.00 0.00 H new ATOM 0 HA LYS A 607 -24.467 -17.531 21.732 1.00 0.00 H new ATOM 0 HB2 LYS A 607 -22.422 -18.848 21.232 1.00 0.00 H new ATOM 0 HB3 LYS A 607 -21.725 -18.383 22.771 1.00 0.00 H new ATOM 0 HG2 LYS A 607 -23.567 -19.603 23.964 1.00 0.00 H new ATOM 0 HG3 LYS A 607 -24.238 -20.086 22.419 1.00 0.00 H new ATOM 0 HD2 LYS A 607 -21.445 -20.834 23.415 1.00 0.00 H new ATOM 0 HD3 LYS A 607 -22.847 -21.882 23.495 1.00 0.00 H new ATOM 0 HE2 LYS A 607 -23.017 -21.836 20.991 1.00 0.00 H new ATOM 0 HE3 LYS A 607 -21.604 -20.802 20.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 607 -21.022 -23.108 20.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 607 -20.303 -22.552 21.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 607 -21.672 -23.554 22.050 1.00 0.00 H new ATOM 981 N ALA A 608 -22.952 -16.349 24.443 1.00 0.00 N ATOM 982 CA ALA A 608 -23.146 -15.924 25.839 1.00 0.00 C ATOM 983 C ALA A 608 -24.265 -14.885 25.938 1.00 0.00 C ATOM 984 O ALA A 608 -25.305 -15.155 26.526 1.00 0.00 O ATOM 985 CB ALA A 608 -21.841 -15.371 26.433 1.00 0.00 C ATOM 0 H ALA A 608 -22.023 -16.143 24.075 1.00 0.00 H new ATOM 0 HA ALA A 608 -23.437 -16.800 26.419 1.00 0.00 H new ATOM 0 HB1 ALA A 608 -22.012 -15.064 27.465 1.00 0.00 H new ATOM 0 HB2 ALA A 608 -21.073 -16.144 26.407 1.00 0.00 H new ATOM 0 HB3 ALA A 608 -21.511 -14.512 25.849 1.00 0.00 H new