USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 486 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 589 LYS NZ :NH3+ -129:sc= 1.17 (180deg=-0.692) USER MOD Set 1.2: A 592 CYS SG : rot 62:sc= 2.08 USER MOD Single : A 555 THR OG1 : rot -170:sc= -0.354 USER MOD Single : A 556 THR OG1 : rot 180:sc= 0 USER MOD Single : A 559 GLN : amide:sc= -0.489 K(o=-0.49,f=-2.5!) USER MOD Single : A 560 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00983) USER MOD Single : A 564 GLN : amide:sc= -0.16 K(o=-0.16,f=-1.3) USER MOD Single : A 567 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 568 THR OG1 : rot 82:sc= 0.999 USER MOD Single : A 569 TYR OH : rot 30:sc= 0 USER MOD Single : A 572 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 573 THR OG1 : rot -120:sc= -0.0589 USER MOD Single : A 578 LYS NZ :NH3+ 169:sc= -0.0289 (180deg=-0.219) USER MOD Single : A 579 LYS NZ :NH3+ -137:sc= 0.112 (180deg=0) USER MOD Single : A 588 THR OG1 : rot 105:sc= 0.256 USER MOD Single : A 590 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 593 MET CE :methyl -141:sc= -0.0196 (180deg=-1.13) USER MOD Single : A 594 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 596 TYR OH : rot 180:sc= 0.014 USER MOD Single : A 597 LYS NZ :NH3+ 176:sc= 0.524 (180deg=0.511) USER MOD Single : A 602 MET CE :methyl -172:sc= -0.349 (180deg=-0.452) USER MOD Single : A 604 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 606 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0215) USER MOD Single : A 607 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00799) USER MOD ----------------------------------------------------------------- ATOM 49 N TRP A 554 -6.506 -10.016 5.216 1.00 0.00 N ATOM 50 CA TRP A 554 -6.906 -11.404 4.908 1.00 0.00 C ATOM 51 C TRP A 554 -8.081 -11.408 3.918 1.00 0.00 C ATOM 52 O TRP A 554 -9.095 -10.735 4.149 1.00 0.00 O ATOM 53 CB TRP A 554 -7.317 -12.164 6.202 1.00 0.00 C ATOM 54 CG TRP A 554 -6.207 -12.342 7.221 1.00 0.00 C ATOM 55 CD1 TRP A 554 -5.624 -11.372 7.989 1.00 0.00 C ATOM 56 CD2 TRP A 554 -5.575 -13.573 7.591 1.00 0.00 C ATOM 57 NE1 TRP A 554 -4.670 -11.925 8.798 1.00 0.00 N ATOM 58 CE2 TRP A 554 -4.622 -13.277 8.575 1.00 0.00 C ATOM 59 CE3 TRP A 554 -5.736 -14.899 7.191 1.00 0.00 C ATOM 60 CZ2 TRP A 554 -3.819 -14.261 9.150 1.00 0.00 C ATOM 61 CZ3 TRP A 554 -4.940 -15.869 7.759 1.00 0.00 C ATOM 62 CH2 TRP A 554 -3.992 -15.548 8.735 1.00 0.00 C ATOM 0 HA TRP A 554 -6.050 -11.910 4.461 1.00 0.00 H new ATOM 0 HB2 TRP A 554 -8.141 -11.628 6.674 1.00 0.00 H new ATOM 0 HB3 TRP A 554 -7.695 -13.148 5.923 1.00 0.00 H new ATOM 0 HD1 TRP A 554 -5.880 -10.323 7.961 1.00 0.00 H new ATOM 0 HE1 TRP A 554 -4.088 -11.414 9.461 1.00 0.00 H new ATOM 0 HE3 TRP A 554 -6.474 -15.161 6.447 1.00 0.00 H new ATOM 0 HZ2 TRP A 554 -3.083 -14.012 9.900 1.00 0.00 H new ATOM 0 HZ3 TRP A 554 -5.050 -16.896 7.445 1.00 0.00 H new ATOM 0 HH2 TRP A 554 -3.387 -16.332 9.167 1.00 0.00 H new ATOM 73 N THR A 555 -7.916 -12.124 2.802 1.00 0.00 N ATOM 74 CA THR A 555 -9.004 -12.368 1.841 1.00 0.00 C ATOM 75 C THR A 555 -9.851 -13.574 2.308 1.00 0.00 C ATOM 76 O THR A 555 -9.542 -14.192 3.342 1.00 0.00 O ATOM 77 CB THR A 555 -8.442 -12.624 0.406 1.00 0.00 C ATOM 78 OG1 THR A 555 -7.568 -13.758 0.413 1.00 0.00 O ATOM 79 CG2 THR A 555 -7.684 -11.403 -0.148 1.00 0.00 C ATOM 0 H THR A 555 -7.029 -12.551 2.537 1.00 0.00 H new ATOM 0 HA THR A 555 -9.633 -11.479 1.799 1.00 0.00 H new ATOM 0 HB THR A 555 -9.297 -12.813 -0.243 1.00 0.00 H new ATOM 0 HG1 THR A 555 -7.100 -13.816 -0.446 1.00 0.00 H new ATOM 0 HG21 THR A 555 -7.312 -11.628 -1.147 1.00 0.00 H new ATOM 0 HG22 THR A 555 -8.358 -10.548 -0.196 1.00 0.00 H new ATOM 0 HG23 THR A 555 -6.845 -11.168 0.507 1.00 0.00 H new ATOM 87 N THR A 556 -10.908 -13.907 1.541 1.00 0.00 N ATOM 88 CA THR A 556 -11.772 -15.063 1.835 1.00 0.00 C ATOM 89 C THR A 556 -10.948 -16.366 1.876 1.00 0.00 C ATOM 90 O THR A 556 -11.023 -17.115 2.853 1.00 0.00 O ATOM 91 CB THR A 556 -12.913 -15.187 0.779 1.00 0.00 C ATOM 92 OG1 THR A 556 -13.679 -13.971 0.758 1.00 0.00 O ATOM 93 CG2 THR A 556 -13.854 -16.377 1.050 1.00 0.00 C ATOM 0 H THR A 556 -11.183 -13.386 0.708 1.00 0.00 H new ATOM 0 HA THR A 556 -12.221 -14.902 2.815 1.00 0.00 H new ATOM 0 HB THR A 556 -12.439 -15.364 -0.186 1.00 0.00 H new ATOM 0 HG1 THR A 556 -14.395 -14.047 0.094 1.00 0.00 H new ATOM 0 HG21 THR A 556 -14.627 -16.412 0.283 1.00 0.00 H new ATOM 0 HG22 THR A 556 -13.282 -17.305 1.031 1.00 0.00 H new ATOM 0 HG23 THR A 556 -14.319 -16.258 2.028 1.00 0.00 H new ATOM 101 N GLU A 557 -10.116 -16.581 0.831 1.00 0.00 N ATOM 102 CA GLU A 557 -9.279 -17.789 0.712 1.00 0.00 C ATOM 103 C GLU A 557 -8.258 -17.881 1.866 1.00 0.00 C ATOM 104 O GLU A 557 -8.115 -18.943 2.456 1.00 0.00 O ATOM 105 CB GLU A 557 -8.567 -17.859 -0.671 1.00 0.00 C ATOM 106 CG GLU A 557 -7.631 -16.675 -0.991 1.00 0.00 C ATOM 107 CD GLU A 557 -6.877 -16.838 -2.321 1.00 0.00 C ATOM 108 OE1 GLU A 557 -7.472 -16.579 -3.390 1.00 0.00 O ATOM 109 OE2 GLU A 557 -5.681 -17.212 -2.307 1.00 0.00 O ATOM 0 H GLU A 557 -10.009 -15.927 0.056 1.00 0.00 H new ATOM 0 HA GLU A 557 -9.943 -18.650 0.784 1.00 0.00 H new ATOM 0 HB2 GLU A 557 -7.988 -18.781 -0.717 1.00 0.00 H new ATOM 0 HB3 GLU A 557 -9.327 -17.921 -1.450 1.00 0.00 H new ATOM 0 HG2 GLU A 557 -8.217 -15.756 -1.024 1.00 0.00 H new ATOM 0 HG3 GLU A 557 -6.908 -16.564 -0.183 1.00 0.00 H new ATOM 116 N GLU A 558 -7.600 -16.745 2.209 1.00 0.00 N ATOM 117 CA GLU A 558 -6.553 -16.697 3.260 1.00 0.00 C ATOM 118 C GLU A 558 -7.132 -17.027 4.641 1.00 0.00 C ATOM 119 O GLU A 558 -6.491 -17.733 5.431 1.00 0.00 O ATOM 120 CB GLU A 558 -5.849 -15.317 3.289 1.00 0.00 C ATOM 121 CG GLU A 558 -5.043 -14.998 2.022 1.00 0.00 C ATOM 122 CD GLU A 558 -4.358 -13.624 2.087 1.00 0.00 C ATOM 123 OE1 GLU A 558 -5.043 -12.601 1.877 1.00 0.00 O ATOM 124 OE2 GLU A 558 -3.135 -13.561 2.346 1.00 0.00 O ATOM 0 H GLU A 558 -7.779 -15.843 1.768 1.00 0.00 H new ATOM 0 HA GLU A 558 -5.811 -17.456 3.011 1.00 0.00 H new ATOM 0 HB2 GLU A 558 -6.600 -14.541 3.434 1.00 0.00 H new ATOM 0 HB3 GLU A 558 -5.182 -15.279 4.150 1.00 0.00 H new ATOM 0 HG2 GLU A 558 -4.288 -15.770 1.873 1.00 0.00 H new ATOM 0 HG3 GLU A 558 -5.706 -15.029 1.157 1.00 0.00 H new ATOM 131 N GLN A 559 -8.346 -16.515 4.921 1.00 0.00 N ATOM 132 CA GLN A 559 -9.057 -16.816 6.175 1.00 0.00 C ATOM 133 C GLN A 559 -9.389 -18.319 6.241 1.00 0.00 C ATOM 134 O GLN A 559 -9.233 -18.933 7.280 1.00 0.00 O ATOM 135 CB GLN A 559 -10.355 -15.974 6.326 1.00 0.00 C ATOM 136 CG GLN A 559 -11.097 -16.218 7.663 1.00 0.00 C ATOM 137 CD GLN A 559 -12.403 -15.436 7.833 1.00 0.00 C ATOM 138 OE1 GLN A 559 -12.579 -14.344 7.288 1.00 0.00 O ATOM 139 NE2 GLN A 559 -13.302 -15.978 8.642 1.00 0.00 N ATOM 0 H GLN A 559 -8.854 -15.891 4.294 1.00 0.00 H new ATOM 0 HA GLN A 559 -8.398 -16.549 7.001 1.00 0.00 H new ATOM 0 HB2 GLN A 559 -10.104 -14.916 6.247 1.00 0.00 H new ATOM 0 HB3 GLN A 559 -11.027 -16.205 5.499 1.00 0.00 H new ATOM 0 HG2 GLN A 559 -11.315 -17.282 7.751 1.00 0.00 H new ATOM 0 HG3 GLN A 559 -10.428 -15.961 8.484 1.00 0.00 H new ATOM 0 HE21 GLN A 559 -13.119 -16.884 9.074 1.00 0.00 H new ATOM 0 HE22 GLN A 559 -14.177 -15.489 8.833 1.00 0.00 H new ATOM 148 N LYS A 560 -9.815 -18.893 5.100 1.00 0.00 N ATOM 149 CA LYS A 560 -10.165 -20.329 4.980 1.00 0.00 C ATOM 150 C LYS A 560 -8.914 -21.237 5.073 1.00 0.00 C ATOM 151 O LYS A 560 -9.020 -22.392 5.498 1.00 0.00 O ATOM 152 CB LYS A 560 -10.935 -20.573 3.657 1.00 0.00 C ATOM 153 CG LYS A 560 -12.332 -19.913 3.613 1.00 0.00 C ATOM 154 CD LYS A 560 -13.042 -20.074 2.245 1.00 0.00 C ATOM 155 CE LYS A 560 -13.256 -21.546 1.840 1.00 0.00 C ATOM 156 NZ LYS A 560 -14.084 -22.287 2.819 1.00 0.00 N ATOM 0 H LYS A 560 -9.928 -18.375 4.229 1.00 0.00 H new ATOM 0 HA LYS A 560 -10.809 -20.593 5.819 1.00 0.00 H new ATOM 0 HB2 LYS A 560 -10.339 -20.195 2.826 1.00 0.00 H new ATOM 0 HB3 LYS A 560 -11.047 -21.647 3.506 1.00 0.00 H new ATOM 0 HG2 LYS A 560 -12.957 -20.349 4.393 1.00 0.00 H new ATOM 0 HG3 LYS A 560 -12.232 -18.852 3.840 1.00 0.00 H new ATOM 0 HD2 LYS A 560 -14.008 -19.571 2.283 1.00 0.00 H new ATOM 0 HD3 LYS A 560 -12.452 -19.575 1.476 1.00 0.00 H new ATOM 0 HE2 LYS A 560 -13.734 -21.585 0.861 1.00 0.00 H new ATOM 0 HE3 LYS A 560 -12.288 -22.037 1.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 560 -14.241 -23.257 2.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 560 -13.593 -22.318 3.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 560 -15.000 -21.807 2.933 1.00 0.00 H new ATOM 170 N LEU A 561 -7.738 -20.699 4.681 1.00 0.00 N ATOM 171 CA LEU A 561 -6.440 -21.392 4.853 1.00 0.00 C ATOM 172 C LEU A 561 -6.087 -21.442 6.347 1.00 0.00 C ATOM 173 O LEU A 561 -5.482 -22.409 6.819 1.00 0.00 O ATOM 174 CB LEU A 561 -5.308 -20.680 4.065 1.00 0.00 C ATOM 175 CG LEU A 561 -5.487 -20.604 2.518 1.00 0.00 C ATOM 176 CD1 LEU A 561 -4.384 -19.752 1.863 1.00 0.00 C ATOM 177 CD2 LEU A 561 -5.570 -22.011 1.885 1.00 0.00 C ATOM 0 H LEU A 561 -7.660 -19.782 4.241 1.00 0.00 H new ATOM 0 HA LEU A 561 -6.534 -22.404 4.458 1.00 0.00 H new ATOM 0 HB2 LEU A 561 -5.210 -19.664 4.449 1.00 0.00 H new ATOM 0 HB3 LEU A 561 -4.369 -21.192 4.276 1.00 0.00 H new ATOM 0 HG LEU A 561 -6.438 -20.107 2.326 1.00 0.00 H new ATOM 0 HD11 LEU A 561 -4.540 -19.721 0.785 1.00 0.00 H new ATOM 0 HD12 LEU A 561 -4.420 -18.739 2.264 1.00 0.00 H new ATOM 0 HD13 LEU A 561 -3.410 -20.192 2.076 1.00 0.00 H new ATOM 0 HD21 LEU A 561 -5.695 -21.918 0.806 1.00 0.00 H new ATOM 0 HD22 LEU A 561 -4.653 -22.561 2.098 1.00 0.00 H new ATOM 0 HD23 LEU A 561 -6.421 -22.549 2.303 1.00 0.00 H new ATOM 189 N LEU A 562 -6.471 -20.375 7.073 1.00 0.00 N ATOM 190 CA LEU A 562 -6.314 -20.301 8.532 1.00 0.00 C ATOM 191 C LEU A 562 -7.290 -21.270 9.216 1.00 0.00 C ATOM 192 O LEU A 562 -6.891 -21.984 10.119 1.00 0.00 O ATOM 193 CB LEU A 562 -6.533 -18.856 9.044 1.00 0.00 C ATOM 194 CG LEU A 562 -6.305 -18.626 10.573 1.00 0.00 C ATOM 195 CD1 LEU A 562 -4.832 -18.850 10.978 1.00 0.00 C ATOM 196 CD2 LEU A 562 -6.795 -17.236 11.003 1.00 0.00 C ATOM 0 H LEU A 562 -6.897 -19.544 6.663 1.00 0.00 H new ATOM 0 HA LEU A 562 -5.294 -20.592 8.783 1.00 0.00 H new ATOM 0 HB2 LEU A 562 -5.866 -18.192 8.494 1.00 0.00 H new ATOM 0 HB3 LEU A 562 -7.552 -18.557 8.800 1.00 0.00 H new ATOM 0 HG LEU A 562 -6.899 -19.371 11.103 1.00 0.00 H new ATOM 0 HD11 LEU A 562 -4.719 -18.679 12.049 1.00 0.00 H new ATOM 0 HD12 LEU A 562 -4.541 -19.873 10.741 1.00 0.00 H new ATOM 0 HD13 LEU A 562 -4.195 -18.155 10.431 1.00 0.00 H new ATOM 0 HD21 LEU A 562 -6.624 -17.104 12.071 1.00 0.00 H new ATOM 0 HD22 LEU A 562 -6.249 -16.471 10.451 1.00 0.00 H new ATOM 0 HD23 LEU A 562 -7.861 -17.145 10.793 1.00 0.00 H new ATOM 208 N GLU A 563 -8.553 -21.300 8.740 1.00 0.00 N ATOM 209 CA GLU A 563 -9.613 -22.182 9.277 1.00 0.00 C ATOM 210 C GLU A 563 -9.157 -23.648 9.239 1.00 0.00 C ATOM 211 O GLU A 563 -9.171 -24.328 10.261 1.00 0.00 O ATOM 212 CB GLU A 563 -10.940 -22.032 8.479 1.00 0.00 C ATOM 213 CG GLU A 563 -11.599 -20.636 8.525 1.00 0.00 C ATOM 214 CD GLU A 563 -12.077 -20.214 9.925 1.00 0.00 C ATOM 215 OE1 GLU A 563 -13.004 -20.868 10.466 1.00 0.00 O ATOM 216 OE2 GLU A 563 -11.544 -19.236 10.486 1.00 0.00 O ATOM 0 H GLU A 563 -8.868 -20.711 7.969 1.00 0.00 H new ATOM 0 HA GLU A 563 -9.797 -21.882 10.309 1.00 0.00 H new ATOM 0 HB2 GLU A 563 -10.746 -22.287 7.437 1.00 0.00 H new ATOM 0 HB3 GLU A 563 -11.654 -22.763 8.858 1.00 0.00 H new ATOM 0 HG2 GLU A 563 -10.887 -19.897 8.158 1.00 0.00 H new ATOM 0 HG3 GLU A 563 -12.450 -20.625 7.843 1.00 0.00 H new ATOM 223 N GLN A 564 -8.697 -24.096 8.047 1.00 0.00 N ATOM 224 CA GLN A 564 -8.254 -25.486 7.829 1.00 0.00 C ATOM 225 C GLN A 564 -6.985 -25.785 8.655 1.00 0.00 C ATOM 226 O GLN A 564 -6.781 -26.914 9.095 1.00 0.00 O ATOM 227 CB GLN A 564 -8.028 -25.782 6.310 1.00 0.00 C ATOM 228 CG GLN A 564 -6.770 -25.143 5.676 1.00 0.00 C ATOM 229 CD GLN A 564 -6.638 -25.415 4.176 1.00 0.00 C ATOM 230 OE1 GLN A 564 -7.111 -24.644 3.349 1.00 0.00 O ATOM 231 NE2 GLN A 564 -6.027 -26.530 3.818 1.00 0.00 N ATOM 0 H GLN A 564 -8.624 -23.506 7.218 1.00 0.00 H new ATOM 0 HA GLN A 564 -9.047 -26.151 8.172 1.00 0.00 H new ATOM 0 HB2 GLN A 564 -7.970 -26.862 6.175 1.00 0.00 H new ATOM 0 HB3 GLN A 564 -8.903 -25.438 5.759 1.00 0.00 H new ATOM 0 HG2 GLN A 564 -6.797 -24.066 5.841 1.00 0.00 H new ATOM 0 HG3 GLN A 564 -5.884 -25.522 6.185 1.00 0.00 H new ATOM 0 HE21 GLN A 564 -5.643 -27.152 4.529 1.00 0.00 H new ATOM 0 HE22 GLN A 564 -5.939 -26.769 2.830 1.00 0.00 H new ATOM 240 N ALA A 565 -6.152 -24.749 8.873 1.00 0.00 N ATOM 241 CA ALA A 565 -4.930 -24.855 9.687 1.00 0.00 C ATOM 242 C ALA A 565 -5.277 -24.995 11.189 1.00 0.00 C ATOM 243 O ALA A 565 -4.581 -25.678 11.938 1.00 0.00 O ATOM 244 CB ALA A 565 -4.033 -23.636 9.437 1.00 0.00 C ATOM 0 H ALA A 565 -6.309 -23.817 8.489 1.00 0.00 H new ATOM 0 HA ALA A 565 -4.387 -25.753 9.393 1.00 0.00 H new ATOM 0 HB1 ALA A 565 -3.130 -23.719 10.042 1.00 0.00 H new ATOM 0 HB2 ALA A 565 -3.761 -23.595 8.382 1.00 0.00 H new ATOM 0 HB3 ALA A 565 -4.570 -22.727 9.709 1.00 0.00 H new ATOM 250 N LEU A 566 -6.378 -24.351 11.607 1.00 0.00 N ATOM 251 CA LEU A 566 -6.874 -24.398 12.996 1.00 0.00 C ATOM 252 C LEU A 566 -7.570 -25.748 13.287 1.00 0.00 C ATOM 253 O LEU A 566 -7.682 -26.143 14.449 1.00 0.00 O ATOM 254 CB LEU A 566 -7.837 -23.202 13.256 1.00 0.00 C ATOM 255 CG LEU A 566 -7.192 -21.772 13.170 1.00 0.00 C ATOM 256 CD1 LEU A 566 -8.259 -20.656 13.150 1.00 0.00 C ATOM 257 CD2 LEU A 566 -6.169 -21.542 14.302 1.00 0.00 C ATOM 0 H LEU A 566 -6.954 -23.779 10.989 1.00 0.00 H new ATOM 0 HA LEU A 566 -6.026 -24.313 13.675 1.00 0.00 H new ATOM 0 HB2 LEU A 566 -8.654 -23.255 12.536 1.00 0.00 H new ATOM 0 HB3 LEU A 566 -8.276 -23.323 14.246 1.00 0.00 H new ATOM 0 HG LEU A 566 -6.656 -21.725 12.222 1.00 0.00 H new ATOM 0 HD11 LEU A 566 -7.768 -19.685 13.090 1.00 0.00 H new ATOM 0 HD12 LEU A 566 -8.908 -20.789 12.284 1.00 0.00 H new ATOM 0 HD13 LEU A 566 -8.855 -20.706 14.061 1.00 0.00 H new ATOM 0 HD21 LEU A 566 -5.744 -20.543 14.210 1.00 0.00 H new ATOM 0 HD22 LEU A 566 -6.667 -21.637 15.267 1.00 0.00 H new ATOM 0 HD23 LEU A 566 -5.373 -22.283 14.229 1.00 0.00 H new ATOM 269 N LYS A 567 -8.044 -26.439 12.218 1.00 0.00 N ATOM 270 CA LYS A 567 -8.659 -27.784 12.334 1.00 0.00 C ATOM 271 C LYS A 567 -7.559 -28.865 12.364 1.00 0.00 C ATOM 272 O LYS A 567 -7.591 -29.785 13.191 1.00 0.00 O ATOM 273 CB LYS A 567 -9.623 -28.078 11.144 1.00 0.00 C ATOM 274 CG LYS A 567 -10.694 -27.005 10.857 1.00 0.00 C ATOM 275 CD LYS A 567 -11.612 -26.690 12.060 1.00 0.00 C ATOM 276 CE LYS A 567 -12.638 -25.583 11.727 1.00 0.00 C ATOM 277 NZ LYS A 567 -13.544 -25.296 12.864 1.00 0.00 N ATOM 0 H LYS A 567 -8.011 -26.083 11.263 1.00 0.00 H new ATOM 0 HA LYS A 567 -9.233 -27.804 13.260 1.00 0.00 H new ATOM 0 HB2 LYS A 567 -9.024 -28.215 10.243 1.00 0.00 H new ATOM 0 HB3 LYS A 567 -10.128 -29.024 11.338 1.00 0.00 H new ATOM 0 HG2 LYS A 567 -10.198 -26.087 10.543 1.00 0.00 H new ATOM 0 HG3 LYS A 567 -11.310 -27.337 10.021 1.00 0.00 H new ATOM 0 HD2 LYS A 567 -12.139 -27.595 12.361 1.00 0.00 H new ATOM 0 HD3 LYS A 567 -11.004 -26.378 12.909 1.00 0.00 H new ATOM 0 HE2 LYS A 567 -12.109 -24.672 11.448 1.00 0.00 H new ATOM 0 HE3 LYS A 567 -13.228 -25.886 10.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 567 -14.214 -24.548 12.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 567 -14.070 -26.157 13.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 567 -12.985 -24.981 13.682 1.00 0.00 H new ATOM 291 N THR A 568 -6.586 -28.722 11.445 1.00 0.00 N ATOM 292 CA THR A 568 -5.510 -29.709 11.229 1.00 0.00 C ATOM 293 C THR A 568 -4.500 -29.700 12.397 1.00 0.00 C ATOM 294 O THR A 568 -4.027 -30.760 12.829 1.00 0.00 O ATOM 295 CB THR A 568 -4.795 -29.430 9.861 1.00 0.00 C ATOM 296 OG1 THR A 568 -5.767 -29.502 8.804 1.00 0.00 O ATOM 297 CG2 THR A 568 -3.651 -30.414 9.554 1.00 0.00 C ATOM 0 H THR A 568 -6.523 -27.913 10.827 1.00 0.00 H new ATOM 0 HA THR A 568 -5.954 -30.704 11.193 1.00 0.00 H new ATOM 0 HB THR A 568 -4.350 -28.438 9.932 1.00 0.00 H new ATOM 0 HG1 THR A 568 -6.250 -28.651 8.745 1.00 0.00 H new ATOM 0 HG21 THR A 568 -3.202 -30.162 8.593 1.00 0.00 H new ATOM 0 HG22 THR A 568 -2.895 -30.348 10.336 1.00 0.00 H new ATOM 0 HG23 THR A 568 -4.045 -31.429 9.515 1.00 0.00 H new ATOM 305 N TYR A 569 -4.181 -28.495 12.903 1.00 0.00 N ATOM 306 CA TYR A 569 -3.261 -28.312 14.040 1.00 0.00 C ATOM 307 C TYR A 569 -4.099 -27.921 15.276 1.00 0.00 C ATOM 308 O TYR A 569 -4.638 -26.804 15.314 1.00 0.00 O ATOM 309 CB TYR A 569 -2.187 -27.230 13.706 1.00 0.00 C ATOM 310 CG TYR A 569 -1.574 -27.382 12.303 1.00 0.00 C ATOM 311 CD1 TYR A 569 -0.972 -28.579 11.898 1.00 0.00 C ATOM 312 CD2 TYR A 569 -1.646 -26.354 11.362 1.00 0.00 C ATOM 313 CE1 TYR A 569 -0.459 -28.734 10.623 1.00 0.00 C ATOM 314 CE2 TYR A 569 -1.146 -26.508 10.085 1.00 0.00 C ATOM 315 CZ TYR A 569 -0.554 -27.701 9.717 1.00 0.00 C ATOM 316 OH TYR A 569 -0.061 -27.859 8.440 1.00 0.00 O ATOM 0 H TYR A 569 -4.554 -27.620 12.535 1.00 0.00 H new ATOM 0 HA TYR A 569 -2.723 -29.237 14.248 1.00 0.00 H new ATOM 0 HB2 TYR A 569 -2.640 -26.242 13.790 1.00 0.00 H new ATOM 0 HB3 TYR A 569 -1.391 -27.279 14.449 1.00 0.00 H new ATOM 0 HD1 TYR A 569 -0.907 -29.400 12.597 1.00 0.00 H new ATOM 0 HD2 TYR A 569 -2.104 -25.416 11.640 1.00 0.00 H new ATOM 0 HE1 TYR A 569 0.015 -29.662 10.339 1.00 0.00 H new ATOM 0 HE2 TYR A 569 -1.217 -25.698 9.375 1.00 0.00 H new ATOM 0 HH TYR A 569 -0.125 -28.801 8.179 1.00 0.00 H new ATOM 326 N PRO A 570 -4.291 -28.863 16.271 1.00 0.00 N ATOM 327 CA PRO A 570 -5.049 -28.597 17.531 1.00 0.00 C ATOM 328 C PRO A 570 -4.538 -27.379 18.329 1.00 0.00 C ATOM 329 O PRO A 570 -3.385 -26.966 18.174 1.00 0.00 O ATOM 330 CB PRO A 570 -4.862 -29.906 18.349 1.00 0.00 C ATOM 331 CG PRO A 570 -4.644 -30.957 17.311 1.00 0.00 C ATOM 332 CD PRO A 570 -3.829 -30.283 16.226 1.00 0.00 C ATOM 0 HA PRO A 570 -6.088 -28.347 17.314 1.00 0.00 H new ATOM 0 HB2 PRO A 570 -4.012 -29.834 19.028 1.00 0.00 H new ATOM 0 HB3 PRO A 570 -5.739 -30.124 18.959 1.00 0.00 H new ATOM 0 HG2 PRO A 570 -4.115 -31.815 17.725 1.00 0.00 H new ATOM 0 HG3 PRO A 570 -5.592 -31.326 16.919 1.00 0.00 H new ATOM 0 HD2 PRO A 570 -2.759 -30.363 16.420 1.00 0.00 H new ATOM 0 HD3 PRO A 570 -4.011 -30.733 15.250 1.00 0.00 H new ATOM 340 N VAL A 571 -5.401 -26.838 19.206 1.00 0.00 N ATOM 341 CA VAL A 571 -5.082 -25.640 20.014 1.00 0.00 C ATOM 342 C VAL A 571 -3.988 -25.941 21.063 1.00 0.00 C ATOM 343 O VAL A 571 -3.134 -25.090 21.342 1.00 0.00 O ATOM 344 CB VAL A 571 -6.373 -25.024 20.695 1.00 0.00 C ATOM 345 CG1 VAL A 571 -7.092 -26.043 21.618 1.00 0.00 C ATOM 346 CG2 VAL A 571 -6.025 -23.718 21.457 1.00 0.00 C ATOM 0 H VAL A 571 -6.334 -27.213 19.377 1.00 0.00 H new ATOM 0 HA VAL A 571 -4.689 -24.890 19.328 1.00 0.00 H new ATOM 0 HB VAL A 571 -7.073 -24.776 19.897 1.00 0.00 H new ATOM 0 HG11 VAL A 571 -7.971 -25.575 22.062 1.00 0.00 H new ATOM 0 HG12 VAL A 571 -7.399 -26.910 21.033 1.00 0.00 H new ATOM 0 HG13 VAL A 571 -6.412 -26.361 22.408 1.00 0.00 H new ATOM 0 HG21 VAL A 571 -6.927 -23.313 21.916 1.00 0.00 H new ATOM 0 HG22 VAL A 571 -5.289 -23.934 22.231 1.00 0.00 H new ATOM 0 HG23 VAL A 571 -5.614 -22.988 20.759 1.00 0.00 H new ATOM 356 N ASN A 572 -3.996 -27.177 21.588 1.00 0.00 N ATOM 357 CA ASN A 572 -3.032 -27.631 22.617 1.00 0.00 C ATOM 358 C ASN A 572 -1.658 -27.988 22.001 1.00 0.00 C ATOM 359 O ASN A 572 -0.736 -28.372 22.722 1.00 0.00 O ATOM 360 CB ASN A 572 -3.625 -28.840 23.389 1.00 0.00 C ATOM 361 CG ASN A 572 -4.946 -28.524 24.103 1.00 0.00 C ATOM 362 OD1 ASN A 572 -5.200 -27.387 24.505 1.00 0.00 O ATOM 363 ND2 ASN A 572 -5.796 -29.525 24.253 1.00 0.00 N ATOM 0 H ASN A 572 -4.669 -27.893 21.315 1.00 0.00 H new ATOM 0 HA ASN A 572 -2.863 -26.809 23.313 1.00 0.00 H new ATOM 0 HB2 ASN A 572 -3.786 -29.662 22.692 1.00 0.00 H new ATOM 0 HB3 ASN A 572 -2.897 -29.183 24.124 1.00 0.00 H new ATOM 0 HD21 ASN A 572 -6.693 -29.368 24.713 1.00 0.00 H new ATOM 0 HD22 ASN A 572 -5.555 -30.454 23.909 1.00 0.00 H new ATOM 370 N THR A 573 -1.531 -27.871 20.665 1.00 0.00 N ATOM 371 CA THR A 573 -0.259 -28.069 19.953 1.00 0.00 C ATOM 372 C THR A 573 0.636 -26.812 20.139 1.00 0.00 C ATOM 373 O THR A 573 0.228 -25.718 19.739 1.00 0.00 O ATOM 374 CB THR A 573 -0.529 -28.340 18.434 1.00 0.00 C ATOM 375 OG1 THR A 573 -1.415 -29.465 18.311 1.00 0.00 O ATOM 376 CG2 THR A 573 0.762 -28.613 17.632 1.00 0.00 C ATOM 0 H THR A 573 -2.310 -27.636 20.050 1.00 0.00 H new ATOM 0 HA THR A 573 0.259 -28.935 20.365 1.00 0.00 H new ATOM 0 HB THR A 573 -0.978 -27.439 18.016 1.00 0.00 H new ATOM 0 HG1 THR A 573 -0.974 -30.174 17.798 1.00 0.00 H new ATOM 0 HG21 THR A 573 0.510 -28.793 16.587 1.00 0.00 H new ATOM 0 HG22 THR A 573 1.423 -27.749 17.702 1.00 0.00 H new ATOM 0 HG23 THR A 573 1.266 -29.489 18.040 1.00 0.00 H new ATOM 384 N PRO A 574 1.865 -26.941 20.748 1.00 0.00 N ATOM 385 CA PRO A 574 2.794 -25.788 20.933 1.00 0.00 C ATOM 386 C PRO A 574 3.545 -25.422 19.626 1.00 0.00 C ATOM 387 O PRO A 574 4.302 -24.444 19.572 1.00 0.00 O ATOM 388 CB PRO A 574 3.748 -26.299 22.034 1.00 0.00 C ATOM 389 CG PRO A 574 3.821 -27.784 21.803 1.00 0.00 C ATOM 390 CD PRO A 574 2.448 -28.200 21.302 1.00 0.00 C ATOM 0 HA PRO A 574 2.283 -24.864 21.203 1.00 0.00 H new ATOM 0 HB2 PRO A 574 4.731 -25.835 21.955 1.00 0.00 H new ATOM 0 HB3 PRO A 574 3.366 -26.069 23.029 1.00 0.00 H new ATOM 0 HG2 PRO A 574 4.593 -28.027 21.073 1.00 0.00 H new ATOM 0 HG3 PRO A 574 4.076 -28.310 22.723 1.00 0.00 H new ATOM 0 HD2 PRO A 574 2.520 -28.975 20.539 1.00 0.00 H new ATOM 0 HD3 PRO A 574 1.835 -28.602 22.108 1.00 0.00 H new ATOM 398 N GLU A 575 3.315 -26.230 18.578 1.00 0.00 N ATOM 399 CA GLU A 575 3.855 -26.019 17.224 1.00 0.00 C ATOM 400 C GLU A 575 2.734 -25.560 16.270 1.00 0.00 C ATOM 401 O GLU A 575 2.956 -25.501 15.055 1.00 0.00 O ATOM 402 CB GLU A 575 4.465 -27.351 16.704 1.00 0.00 C ATOM 403 CG GLU A 575 5.371 -28.093 17.704 1.00 0.00 C ATOM 404 CD GLU A 575 5.826 -29.473 17.199 1.00 0.00 C ATOM 405 OE1 GLU A 575 4.965 -30.258 16.740 1.00 0.00 O ATOM 406 OE2 GLU A 575 7.034 -29.784 17.256 1.00 0.00 O ATOM 0 H GLU A 575 2.736 -27.067 18.650 1.00 0.00 H new ATOM 0 HA GLU A 575 4.625 -25.248 17.261 1.00 0.00 H new ATOM 0 HB2 GLU A 575 3.651 -28.015 16.414 1.00 0.00 H new ATOM 0 HB3 GLU A 575 5.042 -27.141 15.803 1.00 0.00 H new ATOM 0 HG2 GLU A 575 6.249 -27.482 17.912 1.00 0.00 H new ATOM 0 HG3 GLU A 575 4.837 -28.216 18.646 1.00 0.00 H new ATOM 413 N ARG A 576 1.537 -25.223 16.834 1.00 0.00 N ATOM 414 CA ARG A 576 0.314 -24.931 16.042 1.00 0.00 C ATOM 415 C ARG A 576 0.593 -23.818 15.022 1.00 0.00 C ATOM 416 O ARG A 576 0.575 -24.048 13.814 1.00 0.00 O ATOM 417 CB ARG A 576 -0.880 -24.489 16.955 1.00 0.00 C ATOM 418 CG ARG A 576 -2.246 -24.468 16.226 1.00 0.00 C ATOM 419 CD ARG A 576 -3.361 -23.784 17.031 1.00 0.00 C ATOM 420 NE ARG A 576 -4.706 -24.113 16.512 1.00 0.00 N ATOM 421 CZ ARG A 576 -5.862 -23.728 17.076 1.00 0.00 C ATOM 422 NH1 ARG A 576 -5.871 -22.895 18.110 1.00 0.00 N ATOM 423 NH2 ARG A 576 -7.011 -24.183 16.599 1.00 0.00 N ATOM 0 H ARG A 576 1.398 -25.148 17.842 1.00 0.00 H new ATOM 0 HA ARG A 576 0.038 -25.852 15.529 1.00 0.00 H new ATOM 0 HB2 ARG A 576 -0.944 -25.165 17.808 1.00 0.00 H new ATOM 0 HB3 ARG A 576 -0.674 -23.495 17.351 1.00 0.00 H new ATOM 0 HG2 ARG A 576 -2.131 -23.955 15.271 1.00 0.00 H new ATOM 0 HG3 ARG A 576 -2.546 -25.492 16.003 1.00 0.00 H new ATOM 0 HD2 ARG A 576 -3.292 -24.088 18.075 1.00 0.00 H new ATOM 0 HD3 ARG A 576 -3.217 -22.704 17.003 1.00 0.00 H new ATOM 0 HE ARG A 576 -4.760 -24.674 15.662 1.00 0.00 H new ATOM 0 HH11 ARG A 576 -4.992 -22.539 18.486 1.00 0.00 H new ATOM 0 HH12 ARG A 576 -6.757 -22.611 18.528 1.00 0.00 H new ATOM 0 HH21 ARG A 576 -7.016 -24.824 15.806 1.00 0.00 H new ATOM 0 HH22 ARG A 576 -7.891 -23.892 17.025 1.00 0.00 H new ATOM 437 N TRP A 577 0.957 -22.644 15.561 1.00 0.00 N ATOM 438 CA TRP A 577 1.154 -21.408 14.788 1.00 0.00 C ATOM 439 C TRP A 577 2.374 -21.509 13.848 1.00 0.00 C ATOM 440 O TRP A 577 2.381 -20.898 12.776 1.00 0.00 O ATOM 441 CB TRP A 577 1.300 -20.209 15.759 1.00 0.00 C ATOM 442 CG TRP A 577 0.168 -20.095 16.758 1.00 0.00 C ATOM 443 CD1 TRP A 577 0.225 -20.326 18.105 1.00 0.00 C ATOM 444 CD2 TRP A 577 -1.195 -19.749 16.475 1.00 0.00 C ATOM 445 NE1 TRP A 577 -1.006 -20.140 18.671 1.00 0.00 N ATOM 446 CE2 TRP A 577 -1.896 -19.794 17.692 1.00 0.00 C ATOM 447 CE3 TRP A 577 -1.885 -19.415 15.310 1.00 0.00 C ATOM 448 CZ2 TRP A 577 -3.253 -19.505 17.777 1.00 0.00 C ATOM 449 CZ3 TRP A 577 -3.231 -19.133 15.394 1.00 0.00 C ATOM 450 CH2 TRP A 577 -3.899 -19.182 16.617 1.00 0.00 C ATOM 0 H TRP A 577 1.125 -22.525 16.560 1.00 0.00 H new ATOM 0 HA TRP A 577 0.280 -21.254 14.156 1.00 0.00 H new ATOM 0 HB2 TRP A 577 2.242 -20.303 16.299 1.00 0.00 H new ATOM 0 HB3 TRP A 577 1.356 -19.288 15.179 1.00 0.00 H new ATOM 0 HD1 TRP A 577 1.115 -20.614 18.645 1.00 0.00 H new ATOM 0 HE1 TRP A 577 -1.225 -20.243 19.662 1.00 0.00 H new ATOM 0 HE3 TRP A 577 -1.374 -19.378 14.359 1.00 0.00 H new ATOM 0 HZ2 TRP A 577 -3.776 -19.535 18.722 1.00 0.00 H new ATOM 0 HZ3 TRP A 577 -3.777 -18.870 14.500 1.00 0.00 H new ATOM 0 HH2 TRP A 577 -4.955 -18.959 16.648 1.00 0.00 H new ATOM 461 N LYS A 578 3.372 -22.316 14.258 1.00 0.00 N ATOM 462 CA LYS A 578 4.590 -22.586 13.461 1.00 0.00 C ATOM 463 C LYS A 578 4.196 -23.220 12.111 1.00 0.00 C ATOM 464 O LYS A 578 4.601 -22.757 11.047 1.00 0.00 O ATOM 465 CB LYS A 578 5.576 -23.531 14.230 1.00 0.00 C ATOM 466 CG LYS A 578 6.376 -22.892 15.397 1.00 0.00 C ATOM 467 CD LYS A 578 5.497 -22.366 16.558 1.00 0.00 C ATOM 468 CE LYS A 578 6.325 -21.726 17.688 1.00 0.00 C ATOM 469 NZ LYS A 578 7.211 -20.637 17.187 1.00 0.00 N ATOM 0 H LYS A 578 3.358 -22.802 15.155 1.00 0.00 H new ATOM 0 HA LYS A 578 5.101 -21.639 13.286 1.00 0.00 H new ATOM 0 HB2 LYS A 578 5.005 -24.370 14.627 1.00 0.00 H new ATOM 0 HB3 LYS A 578 6.287 -23.940 13.512 1.00 0.00 H new ATOM 0 HG2 LYS A 578 7.074 -23.631 15.791 1.00 0.00 H new ATOM 0 HG3 LYS A 578 6.972 -22.068 15.005 1.00 0.00 H new ATOM 0 HD2 LYS A 578 4.791 -21.632 16.170 1.00 0.00 H new ATOM 0 HD3 LYS A 578 4.909 -23.189 16.965 1.00 0.00 H new ATOM 0 HE2 LYS A 578 5.653 -21.326 18.447 1.00 0.00 H new ATOM 0 HE3 LYS A 578 6.931 -22.492 18.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 578 7.607 -20.113 17.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 578 7.985 -21.049 16.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 578 6.660 -19.988 16.590 1.00 0.00 H new ATOM 483 N LYS A 579 3.353 -24.256 12.192 1.00 0.00 N ATOM 484 CA LYS A 579 2.882 -25.010 11.020 1.00 0.00 C ATOM 485 C LYS A 579 1.817 -24.209 10.238 1.00 0.00 C ATOM 486 O LYS A 579 1.690 -24.368 9.023 1.00 0.00 O ATOM 487 CB LYS A 579 2.326 -26.376 11.491 1.00 0.00 C ATOM 488 CG LYS A 579 3.359 -27.257 12.228 1.00 0.00 C ATOM 489 CD LYS A 579 2.736 -28.541 12.824 1.00 0.00 C ATOM 490 CE LYS A 579 3.777 -29.430 13.534 1.00 0.00 C ATOM 491 NZ LYS A 579 3.161 -30.629 14.155 1.00 0.00 N ATOM 0 H LYS A 579 2.975 -24.598 13.076 1.00 0.00 H new ATOM 0 HA LYS A 579 3.716 -25.180 10.339 1.00 0.00 H new ATOM 0 HB2 LYS A 579 1.476 -26.202 12.151 1.00 0.00 H new ATOM 0 HB3 LYS A 579 1.951 -26.922 10.625 1.00 0.00 H new ATOM 0 HG2 LYS A 579 4.154 -27.532 11.536 1.00 0.00 H new ATOM 0 HG3 LYS A 579 3.819 -26.677 13.028 1.00 0.00 H new ATOM 0 HD2 LYS A 579 1.954 -28.266 13.532 1.00 0.00 H new ATOM 0 HD3 LYS A 579 2.258 -29.112 12.028 1.00 0.00 H new ATOM 0 HE2 LYS A 579 4.534 -29.744 12.816 1.00 0.00 H new ATOM 0 HE3 LYS A 579 4.287 -28.847 14.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 579 3.567 -30.777 15.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 579 2.134 -30.488 14.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 579 3.350 -31.463 13.563 1.00 0.00 H new ATOM 505 N ILE A 580 1.066 -23.342 10.954 1.00 0.00 N ATOM 506 CA ILE A 580 0.061 -22.427 10.348 1.00 0.00 C ATOM 507 C ILE A 580 0.731 -21.409 9.392 1.00 0.00 C ATOM 508 O ILE A 580 0.105 -20.952 8.435 1.00 0.00 O ATOM 509 CB ILE A 580 -0.794 -21.706 11.476 1.00 0.00 C ATOM 510 CG1 ILE A 580 -1.735 -22.742 12.174 1.00 0.00 C ATOM 511 CG2 ILE A 580 -1.599 -20.491 10.954 1.00 0.00 C ATOM 512 CD1 ILE A 580 -2.636 -22.198 13.267 1.00 0.00 C ATOM 0 H ILE A 580 1.136 -23.254 11.968 1.00 0.00 H new ATOM 0 HA ILE A 580 -0.624 -23.024 9.746 1.00 0.00 H new ATOM 0 HB ILE A 580 -0.088 -21.305 12.203 1.00 0.00 H new ATOM 0 HG12 ILE A 580 -2.362 -23.204 11.411 1.00 0.00 H new ATOM 0 HG13 ILE A 580 -1.118 -23.533 12.601 1.00 0.00 H new ATOM 0 HG21 ILE A 580 -2.160 -20.046 11.776 1.00 0.00 H new ATOM 0 HG22 ILE A 580 -0.914 -19.751 10.540 1.00 0.00 H new ATOM 0 HG23 ILE A 580 -2.291 -20.819 10.178 1.00 0.00 H new ATOM 0 HD11 ILE A 580 -3.241 -23.007 13.676 1.00 0.00 H new ATOM 0 HD12 ILE A 580 -2.026 -21.765 14.059 1.00 0.00 H new ATOM 0 HD13 ILE A 580 -3.289 -21.431 12.852 1.00 0.00 H new ATOM 524 N ALA A 581 2.006 -21.066 9.666 1.00 0.00 N ATOM 525 CA ALA A 581 2.833 -20.223 8.759 1.00 0.00 C ATOM 526 C ALA A 581 2.884 -20.792 7.330 1.00 0.00 C ATOM 527 O ALA A 581 2.822 -20.053 6.346 1.00 0.00 O ATOM 528 CB ALA A 581 4.265 -20.083 9.309 1.00 0.00 C ATOM 0 H ALA A 581 2.494 -21.359 10.512 1.00 0.00 H new ATOM 0 HA ALA A 581 2.360 -19.242 8.715 1.00 0.00 H new ATOM 0 HB1 ALA A 581 4.855 -19.464 8.634 1.00 0.00 H new ATOM 0 HB2 ALA A 581 4.233 -19.617 10.294 1.00 0.00 H new ATOM 0 HB3 ALA A 581 4.722 -21.069 9.390 1.00 0.00 H new ATOM 534 N GLU A 582 3.027 -22.117 7.254 1.00 0.00 N ATOM 535 CA GLU A 582 3.154 -22.851 5.988 1.00 0.00 C ATOM 536 C GLU A 582 1.766 -23.134 5.387 1.00 0.00 C ATOM 537 O GLU A 582 1.567 -23.024 4.174 1.00 0.00 O ATOM 538 CB GLU A 582 3.942 -24.154 6.256 1.00 0.00 C ATOM 539 CG GLU A 582 5.305 -23.915 6.943 1.00 0.00 C ATOM 540 CD GLU A 582 6.047 -25.215 7.288 1.00 0.00 C ATOM 541 OE1 GLU A 582 6.724 -25.768 6.396 1.00 0.00 O ATOM 542 OE2 GLU A 582 5.960 -25.679 8.445 1.00 0.00 O ATOM 0 H GLU A 582 3.058 -22.719 8.077 1.00 0.00 H new ATOM 0 HA GLU A 582 3.697 -22.253 5.256 1.00 0.00 H new ATOM 0 HB2 GLU A 582 3.339 -24.813 6.881 1.00 0.00 H new ATOM 0 HB3 GLU A 582 4.105 -24.672 5.311 1.00 0.00 H new ATOM 0 HG2 GLU A 582 5.932 -23.309 6.289 1.00 0.00 H new ATOM 0 HG3 GLU A 582 5.148 -23.341 7.856 1.00 0.00 H new ATOM 549 N ALA A 583 0.805 -23.468 6.268 1.00 0.00 N ATOM 550 CA ALA A 583 -0.588 -23.779 5.875 1.00 0.00 C ATOM 551 C ALA A 583 -1.357 -22.520 5.411 1.00 0.00 C ATOM 552 O ALA A 583 -2.421 -22.632 4.790 1.00 0.00 O ATOM 553 CB ALA A 583 -1.316 -24.470 7.038 1.00 0.00 C ATOM 0 H ALA A 583 0.969 -23.531 7.273 1.00 0.00 H new ATOM 0 HA ALA A 583 -0.552 -24.457 5.022 1.00 0.00 H new ATOM 0 HB1 ALA A 583 -2.341 -24.696 6.743 1.00 0.00 H new ATOM 0 HB2 ALA A 583 -0.799 -25.395 7.293 1.00 0.00 H new ATOM 0 HB3 ALA A 583 -1.326 -23.809 7.905 1.00 0.00 H new ATOM 559 N VAL A 584 -0.831 -21.326 5.754 1.00 0.00 N ATOM 560 CA VAL A 584 -1.345 -20.035 5.260 1.00 0.00 C ATOM 561 C VAL A 584 -0.139 -19.233 4.697 1.00 0.00 C ATOM 562 O VAL A 584 0.576 -18.589 5.474 1.00 0.00 O ATOM 563 CB VAL A 584 -2.089 -19.188 6.375 1.00 0.00 C ATOM 564 CG1 VAL A 584 -3.011 -18.133 5.727 1.00 0.00 C ATOM 565 CG2 VAL A 584 -2.875 -20.073 7.367 1.00 0.00 C ATOM 0 H VAL A 584 -0.034 -21.232 6.384 1.00 0.00 H new ATOM 0 HA VAL A 584 -2.091 -20.234 4.491 1.00 0.00 H new ATOM 0 HB VAL A 584 -1.321 -18.677 6.955 1.00 0.00 H new ATOM 0 HG11 VAL A 584 -3.514 -17.561 6.507 1.00 0.00 H new ATOM 0 HG12 VAL A 584 -2.416 -17.460 5.109 1.00 0.00 H new ATOM 0 HG13 VAL A 584 -3.755 -18.632 5.106 1.00 0.00 H new ATOM 0 HG21 VAL A 584 -3.365 -19.442 8.109 1.00 0.00 H new ATOM 0 HG22 VAL A 584 -3.627 -20.647 6.826 1.00 0.00 H new ATOM 0 HG23 VAL A 584 -2.189 -20.756 7.868 1.00 0.00 H new ATOM 575 N PRO A 585 0.121 -19.301 3.346 1.00 0.00 N ATOM 576 CA PRO A 585 1.361 -18.768 2.706 1.00 0.00 C ATOM 577 C PRO A 585 1.681 -17.296 3.046 1.00 0.00 C ATOM 578 O PRO A 585 0.891 -16.393 2.746 1.00 0.00 O ATOM 579 CB PRO A 585 1.089 -18.934 1.184 1.00 0.00 C ATOM 580 CG PRO A 585 0.115 -20.063 1.114 1.00 0.00 C ATOM 581 CD PRO A 585 -0.772 -19.903 2.326 1.00 0.00 C ATOM 0 HA PRO A 585 2.237 -19.306 3.069 1.00 0.00 H new ATOM 0 HB2 PRO A 585 0.676 -18.023 0.750 1.00 0.00 H new ATOM 0 HB3 PRO A 585 2.004 -19.161 0.637 1.00 0.00 H new ATOM 0 HG2 PRO A 585 -0.467 -20.023 0.193 1.00 0.00 H new ATOM 0 HG3 PRO A 585 0.627 -21.025 1.126 1.00 0.00 H new ATOM 0 HD2 PRO A 585 -1.626 -19.260 2.114 1.00 0.00 H new ATOM 0 HD3 PRO A 585 -1.170 -20.862 2.659 1.00 0.00 H new ATOM 589 N GLY A 586 2.825 -17.092 3.725 1.00 0.00 N ATOM 590 CA GLY A 586 3.372 -15.761 3.981 1.00 0.00 C ATOM 591 C GLY A 586 2.570 -14.921 4.982 1.00 0.00 C ATOM 592 O GLY A 586 2.816 -13.718 5.113 1.00 0.00 O ATOM 0 H GLY A 586 3.390 -17.849 4.108 1.00 0.00 H new ATOM 0 HA2 GLY A 586 4.392 -15.867 4.351 1.00 0.00 H new ATOM 0 HA3 GLY A 586 3.430 -15.219 3.037 1.00 0.00 H new ATOM 596 N ARG A 587 1.619 -15.548 5.697 1.00 0.00 N ATOM 597 CA ARG A 587 0.812 -14.857 6.720 1.00 0.00 C ATOM 598 C ARG A 587 1.462 -14.985 8.099 1.00 0.00 C ATOM 599 O ARG A 587 1.890 -16.075 8.502 1.00 0.00 O ATOM 600 CB ARG A 587 -0.645 -15.376 6.703 1.00 0.00 C ATOM 601 CG ARG A 587 -1.494 -14.853 5.507 1.00 0.00 C ATOM 602 CD ARG A 587 -2.041 -13.420 5.734 1.00 0.00 C ATOM 603 NE ARG A 587 -0.987 -12.417 6.035 1.00 0.00 N ATOM 604 CZ ARG A 587 -1.156 -11.337 6.825 1.00 0.00 C ATOM 605 NH1 ARG A 587 -2.358 -10.996 7.252 1.00 0.00 N ATOM 606 NH2 ARG A 587 -0.122 -10.569 7.136 1.00 0.00 N ATOM 0 H ARG A 587 1.390 -16.536 5.585 1.00 0.00 H new ATOM 0 HA ARG A 587 0.776 -13.793 6.484 1.00 0.00 H new ATOM 0 HB2 ARG A 587 -0.631 -16.466 6.675 1.00 0.00 H new ATOM 0 HB3 ARG A 587 -1.133 -15.087 7.634 1.00 0.00 H new ATOM 0 HG2 ARG A 587 -0.885 -14.865 4.603 1.00 0.00 H new ATOM 0 HG3 ARG A 587 -2.329 -15.532 5.337 1.00 0.00 H new ATOM 0 HD2 ARG A 587 -2.587 -13.104 4.845 1.00 0.00 H new ATOM 0 HD3 ARG A 587 -2.756 -13.440 6.556 1.00 0.00 H new ATOM 0 HE ARG A 587 -0.069 -12.555 5.613 1.00 0.00 H new ATOM 0 HH11 ARG A 587 -3.171 -11.551 6.985 1.00 0.00 H new ATOM 0 HH12 ARG A 587 -2.474 -10.177 7.849 1.00 0.00 H new ATOM 0 HH21 ARG A 587 0.806 -10.794 6.778 1.00 0.00 H new ATOM 0 HH22 ARG A 587 -0.254 -9.753 7.734 1.00 0.00 H new ATOM 620 N THR A 588 1.526 -13.847 8.801 1.00 0.00 N ATOM 621 CA THR A 588 2.263 -13.700 10.055 1.00 0.00 C ATOM 622 C THR A 588 1.467 -14.231 11.258 1.00 0.00 C ATOM 623 O THR A 588 0.234 -14.256 11.246 1.00 0.00 O ATOM 624 CB THR A 588 2.665 -12.198 10.257 1.00 0.00 C ATOM 625 OG1 THR A 588 1.572 -11.356 9.865 1.00 0.00 O ATOM 626 CG2 THR A 588 3.924 -11.820 9.447 1.00 0.00 C ATOM 0 H THR A 588 1.058 -12.990 8.506 1.00 0.00 H new ATOM 0 HA THR A 588 3.168 -14.305 9.992 1.00 0.00 H new ATOM 0 HB THR A 588 2.896 -12.054 11.312 1.00 0.00 H new ATOM 0 HG1 THR A 588 1.135 -10.994 10.664 1.00 0.00 H new ATOM 0 HG21 THR A 588 4.165 -10.771 9.618 1.00 0.00 H new ATOM 0 HG22 THR A 588 4.761 -12.441 9.765 1.00 0.00 H new ATOM 0 HG23 THR A 588 3.736 -11.981 8.386 1.00 0.00 H new ATOM 634 N LYS A 589 2.206 -14.680 12.287 1.00 0.00 N ATOM 635 CA LYS A 589 1.627 -15.334 13.478 1.00 0.00 C ATOM 636 C LYS A 589 0.892 -14.334 14.371 1.00 0.00 C ATOM 637 O LYS A 589 -0.027 -14.724 15.087 1.00 0.00 O ATOM 638 CB LYS A 589 2.719 -16.119 14.260 1.00 0.00 C ATOM 639 CG LYS A 589 2.954 -17.601 13.823 1.00 0.00 C ATOM 640 CD LYS A 589 3.476 -17.808 12.370 1.00 0.00 C ATOM 641 CE LYS A 589 2.385 -17.724 11.277 1.00 0.00 C ATOM 642 NZ LYS A 589 1.280 -18.698 11.487 1.00 0.00 N ATOM 0 H LYS A 589 3.222 -14.601 12.318 1.00 0.00 H new ATOM 0 HA LYS A 589 0.882 -16.053 13.137 1.00 0.00 H new ATOM 0 HB2 LYS A 589 3.662 -15.581 14.164 1.00 0.00 H new ATOM 0 HB3 LYS A 589 2.454 -16.112 15.317 1.00 0.00 H new ATOM 0 HG2 LYS A 589 3.667 -18.054 14.512 1.00 0.00 H new ATOM 0 HG3 LYS A 589 2.016 -18.145 13.932 1.00 0.00 H new ATOM 0 HD2 LYS A 589 4.239 -17.058 12.162 1.00 0.00 H new ATOM 0 HD3 LYS A 589 3.961 -18.782 12.307 1.00 0.00 H new ATOM 0 HE2 LYS A 589 1.974 -16.715 11.257 1.00 0.00 H new ATOM 0 HE3 LYS A 589 2.839 -17.902 10.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 589 1.119 -19.235 10.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 589 1.536 -19.353 12.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 589 0.411 -18.187 11.744 1.00 0.00 H new ATOM 656 N LYS A 590 1.285 -13.049 14.303 1.00 0.00 N ATOM 657 CA LYS A 590 0.558 -11.958 14.971 1.00 0.00 C ATOM 658 C LYS A 590 -0.868 -11.860 14.396 1.00 0.00 C ATOM 659 O LYS A 590 -1.830 -11.734 15.136 1.00 0.00 O ATOM 660 CB LYS A 590 1.310 -10.601 14.823 1.00 0.00 C ATOM 661 CG LYS A 590 1.521 -10.128 13.362 1.00 0.00 C ATOM 662 CD LYS A 590 2.230 -8.761 13.254 1.00 0.00 C ATOM 663 CE LYS A 590 3.659 -8.779 13.821 1.00 0.00 C ATOM 664 NZ LYS A 590 4.320 -7.460 13.694 1.00 0.00 N ATOM 0 H LYS A 590 2.109 -12.741 13.787 1.00 0.00 H new ATOM 0 HA LYS A 590 0.499 -12.181 16.036 1.00 0.00 H new ATOM 0 HB2 LYS A 590 0.754 -9.833 15.361 1.00 0.00 H new ATOM 0 HB3 LYS A 590 2.283 -10.687 15.306 1.00 0.00 H new ATOM 0 HG2 LYS A 590 2.107 -10.876 12.827 1.00 0.00 H new ATOM 0 HG3 LYS A 590 0.553 -10.067 12.865 1.00 0.00 H new ATOM 0 HD2 LYS A 590 2.264 -8.457 12.208 1.00 0.00 H new ATOM 0 HD3 LYS A 590 1.644 -8.011 13.785 1.00 0.00 H new ATOM 0 HE2 LYS A 590 3.629 -9.071 14.871 1.00 0.00 H new ATOM 0 HE3 LYS A 590 4.248 -9.532 13.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 590 5.281 -7.514 14.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 590 4.371 -7.193 12.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 590 3.772 -6.746 14.215 1.00 0.00 H new ATOM 678 N ASP A 591 -0.951 -11.999 13.059 1.00 0.00 N ATOM 679 CA ASP A 591 -2.200 -11.935 12.282 1.00 0.00 C ATOM 680 C ASP A 591 -3.031 -13.216 12.465 1.00 0.00 C ATOM 681 O ASP A 591 -4.261 -13.159 12.473 1.00 0.00 O ATOM 682 CB ASP A 591 -1.869 -11.710 10.778 1.00 0.00 C ATOM 683 CG ASP A 591 -1.640 -10.240 10.413 1.00 0.00 C ATOM 684 OD1 ASP A 591 -0.577 -9.689 10.759 1.00 0.00 O ATOM 685 OD2 ASP A 591 -2.520 -9.646 9.750 1.00 0.00 O ATOM 0 H ASP A 591 -0.130 -12.163 12.476 1.00 0.00 H new ATOM 0 HA ASP A 591 -2.795 -11.098 12.647 1.00 0.00 H new ATOM 0 HB2 ASP A 591 -0.978 -12.282 10.521 1.00 0.00 H new ATOM 0 HB3 ASP A 591 -2.686 -12.103 10.172 1.00 0.00 H new ATOM 690 N CYS A 592 -2.342 -14.368 12.593 1.00 0.00 N ATOM 691 CA CYS A 592 -2.990 -15.679 12.783 1.00 0.00 C ATOM 692 C CYS A 592 -3.669 -15.750 14.164 1.00 0.00 C ATOM 693 O CYS A 592 -4.784 -16.266 14.293 1.00 0.00 O ATOM 694 CB CYS A 592 -1.955 -16.817 12.623 1.00 0.00 C ATOM 695 SG CYS A 592 -1.177 -16.886 10.992 1.00 0.00 S ATOM 0 H CYS A 592 -1.323 -14.414 12.567 1.00 0.00 H new ATOM 0 HA CYS A 592 -3.758 -15.802 12.019 1.00 0.00 H new ATOM 0 HB2 CYS A 592 -1.179 -16.696 13.379 1.00 0.00 H new ATOM 0 HB3 CYS A 592 -2.446 -17.770 12.820 1.00 0.00 H new ATOM 0 HG CYS A 592 -0.513 -15.788 10.781 1.00 0.00 H new ATOM 701 N MET A 593 -2.975 -15.203 15.185 1.00 0.00 N ATOM 702 CA MET A 593 -3.488 -15.124 16.572 1.00 0.00 C ATOM 703 C MET A 593 -4.588 -14.063 16.676 1.00 0.00 C ATOM 704 O MET A 593 -5.561 -14.267 17.387 1.00 0.00 O ATOM 705 CB MET A 593 -2.352 -14.784 17.565 1.00 0.00 C ATOM 706 CG MET A 593 -1.290 -15.871 17.716 1.00 0.00 C ATOM 707 SD MET A 593 0.045 -15.345 18.816 1.00 0.00 S ATOM 708 CE MET A 593 1.474 -16.111 18.055 1.00 0.00 C ATOM 0 H MET A 593 -2.043 -14.803 15.072 1.00 0.00 H new ATOM 0 HA MET A 593 -3.900 -16.100 16.829 1.00 0.00 H new ATOM 0 HB2 MET A 593 -1.867 -13.864 17.240 1.00 0.00 H new ATOM 0 HB3 MET A 593 -2.790 -14.585 18.543 1.00 0.00 H new ATOM 0 HG2 MET A 593 -1.750 -16.778 18.108 1.00 0.00 H new ATOM 0 HG3 MET A 593 -0.880 -16.119 16.737 1.00 0.00 H new ATOM 0 HE1 MET A 593 2.142 -16.485 18.830 1.00 0.00 H new ATOM 0 HE2 MET A 593 1.150 -16.939 17.424 1.00 0.00 H new ATOM 0 HE3 MET A 593 2.000 -15.375 17.447 1.00 0.00 H new ATOM 718 N LYS A 594 -4.389 -12.921 15.973 1.00 0.00 N ATOM 719 CA LYS A 594 -5.403 -11.833 15.865 1.00 0.00 C ATOM 720 C LYS A 594 -6.742 -12.401 15.389 1.00 0.00 C ATOM 721 O LYS A 594 -7.737 -12.327 16.098 1.00 0.00 O ATOM 722 CB LYS A 594 -4.948 -10.697 14.877 1.00 0.00 C ATOM 723 CG LYS A 594 -4.098 -9.574 15.507 1.00 0.00 C ATOM 724 CD LYS A 594 -4.879 -8.762 16.567 1.00 0.00 C ATOM 725 CE LYS A 594 -4.078 -7.563 17.104 1.00 0.00 C ATOM 726 NZ LYS A 594 -4.852 -6.787 18.103 1.00 0.00 N ATOM 0 H LYS A 594 -3.526 -12.725 15.466 1.00 0.00 H new ATOM 0 HA LYS A 594 -5.511 -11.399 16.859 1.00 0.00 H new ATOM 0 HB2 LYS A 594 -4.377 -11.151 14.067 1.00 0.00 H new ATOM 0 HB3 LYS A 594 -5.836 -10.250 14.430 1.00 0.00 H new ATOM 0 HG2 LYS A 594 -3.212 -10.009 15.968 1.00 0.00 H new ATOM 0 HG3 LYS A 594 -3.751 -8.902 14.722 1.00 0.00 H new ATOM 0 HD2 LYS A 594 -5.812 -8.405 16.131 1.00 0.00 H new ATOM 0 HD3 LYS A 594 -5.146 -9.417 17.397 1.00 0.00 H new ATOM 0 HE2 LYS A 594 -3.152 -7.918 17.557 1.00 0.00 H new ATOM 0 HE3 LYS A 594 -3.798 -6.912 16.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 594 -4.279 -5.988 18.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 594 -5.723 -6.427 17.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 594 -5.097 -7.401 18.906 1.00 0.00 H new ATOM 740 N ARG A 595 -6.699 -13.028 14.208 1.00 0.00 N ATOM 741 CA ARG A 595 -7.891 -13.486 13.489 1.00 0.00 C ATOM 742 C ARG A 595 -8.601 -14.602 14.288 1.00 0.00 C ATOM 743 O ARG A 595 -9.810 -14.528 14.493 1.00 0.00 O ATOM 744 CB ARG A 595 -7.506 -13.936 12.042 1.00 0.00 C ATOM 745 CG ARG A 595 -8.508 -13.527 10.931 1.00 0.00 C ATOM 746 CD ARG A 595 -9.925 -14.095 11.132 1.00 0.00 C ATOM 747 NE ARG A 595 -10.875 -13.554 10.153 1.00 0.00 N ATOM 748 CZ ARG A 595 -11.516 -12.377 10.254 1.00 0.00 C ATOM 749 NH1 ARG A 595 -11.301 -11.552 11.284 1.00 0.00 N ATOM 750 NH2 ARG A 595 -12.369 -12.023 9.307 1.00 0.00 N ATOM 0 H ARG A 595 -5.827 -13.233 13.721 1.00 0.00 H new ATOM 0 HA ARG A 595 -8.599 -12.663 13.392 1.00 0.00 H new ATOM 0 HB2 ARG A 595 -6.529 -13.520 11.798 1.00 0.00 H new ATOM 0 HB3 ARG A 595 -7.402 -15.021 12.033 1.00 0.00 H new ATOM 0 HG2 ARG A 595 -8.565 -12.439 10.889 1.00 0.00 H new ATOM 0 HG3 ARG A 595 -8.125 -13.864 9.968 1.00 0.00 H new ATOM 0 HD2 ARG A 595 -9.896 -15.181 11.048 1.00 0.00 H new ATOM 0 HD3 ARG A 595 -10.270 -13.862 12.140 1.00 0.00 H new ATOM 0 HE ARG A 595 -11.065 -14.119 9.326 1.00 0.00 H new ATOM 0 HH11 ARG A 595 -10.638 -11.811 12.015 1.00 0.00 H new ATOM 0 HH12 ARG A 595 -11.800 -10.664 11.339 1.00 0.00 H new ATOM 0 HH21 ARG A 595 -12.534 -12.641 8.512 1.00 0.00 H new ATOM 0 HH22 ARG A 595 -12.862 -11.132 9.372 1.00 0.00 H new ATOM 764 N TYR A 596 -7.819 -15.600 14.766 1.00 0.00 N ATOM 765 CA TYR A 596 -8.340 -16.708 15.606 1.00 0.00 C ATOM 766 C TYR A 596 -8.981 -16.177 16.900 1.00 0.00 C ATOM 767 O TYR A 596 -10.036 -16.665 17.321 1.00 0.00 O ATOM 768 CB TYR A 596 -7.217 -17.714 15.947 1.00 0.00 C ATOM 769 CG TYR A 596 -7.607 -18.825 16.948 1.00 0.00 C ATOM 770 CD1 TYR A 596 -8.535 -19.817 16.609 1.00 0.00 C ATOM 771 CD2 TYR A 596 -7.037 -18.894 18.230 1.00 0.00 C ATOM 772 CE1 TYR A 596 -8.878 -20.818 17.498 1.00 0.00 C ATOM 773 CE2 TYR A 596 -7.374 -19.898 19.119 1.00 0.00 C ATOM 774 CZ TYR A 596 -8.293 -20.858 18.747 1.00 0.00 C ATOM 775 OH TYR A 596 -8.615 -21.875 19.624 1.00 0.00 O ATOM 0 H TYR A 596 -6.817 -15.661 14.583 1.00 0.00 H new ATOM 0 HA TYR A 596 -9.109 -17.221 15.029 1.00 0.00 H new ATOM 0 HB2 TYR A 596 -6.879 -18.183 15.023 1.00 0.00 H new ATOM 0 HB3 TYR A 596 -6.369 -17.163 16.354 1.00 0.00 H new ATOM 0 HD1 TYR A 596 -8.993 -19.800 15.631 1.00 0.00 H new ATOM 0 HD2 TYR A 596 -6.318 -18.145 18.528 1.00 0.00 H new ATOM 0 HE1 TYR A 596 -9.603 -21.567 17.216 1.00 0.00 H new ATOM 0 HE2 TYR A 596 -6.921 -19.931 20.099 1.00 0.00 H new ATOM 0 HH TYR A 596 -8.115 -21.757 20.459 1.00 0.00 H new ATOM 785 N LYS A 597 -8.334 -15.172 17.515 1.00 0.00 N ATOM 786 CA LYS A 597 -8.821 -14.572 18.769 1.00 0.00 C ATOM 787 C LYS A 597 -10.143 -13.841 18.501 1.00 0.00 C ATOM 788 O LYS A 597 -11.054 -13.941 19.296 1.00 0.00 O ATOM 789 CB LYS A 597 -7.784 -13.591 19.377 1.00 0.00 C ATOM 790 CG LYS A 597 -8.071 -13.155 20.837 1.00 0.00 C ATOM 791 CD LYS A 597 -7.102 -12.049 21.322 1.00 0.00 C ATOM 792 CE LYS A 597 -7.218 -11.767 22.836 1.00 0.00 C ATOM 793 NZ LYS A 597 -8.587 -11.334 23.234 1.00 0.00 N ATOM 0 H LYS A 597 -7.471 -14.758 17.163 1.00 0.00 H new ATOM 0 HA LYS A 597 -8.978 -15.372 19.492 1.00 0.00 H new ATOM 0 HB2 LYS A 597 -6.800 -14.058 19.340 1.00 0.00 H new ATOM 0 HB3 LYS A 597 -7.738 -12.700 18.750 1.00 0.00 H new ATOM 0 HG2 LYS A 597 -9.097 -12.794 20.911 1.00 0.00 H new ATOM 0 HG3 LYS A 597 -7.989 -14.020 21.495 1.00 0.00 H new ATOM 0 HD2 LYS A 597 -6.078 -12.343 21.090 1.00 0.00 H new ATOM 0 HD3 LYS A 597 -7.302 -11.130 20.770 1.00 0.00 H new ATOM 0 HE2 LYS A 597 -6.949 -12.666 23.391 1.00 0.00 H new ATOM 0 HE3 LYS A 597 -6.501 -10.994 23.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 597 -8.629 -11.223 24.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 597 -8.810 -10.426 22.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 597 -9.279 -12.050 22.934 1.00 0.00 H new ATOM 807 N GLU A 598 -10.225 -13.146 17.339 1.00 0.00 N ATOM 808 CA GLU A 598 -11.432 -12.408 16.905 1.00 0.00 C ATOM 809 C GLU A 598 -12.627 -13.362 16.738 1.00 0.00 C ATOM 810 O GLU A 598 -13.753 -12.990 17.044 1.00 0.00 O ATOM 811 CB GLU A 598 -11.183 -11.645 15.566 1.00 0.00 C ATOM 812 CG GLU A 598 -10.202 -10.462 15.661 1.00 0.00 C ATOM 813 CD GLU A 598 -9.893 -9.809 14.296 1.00 0.00 C ATOM 814 OE1 GLU A 598 -9.457 -10.530 13.368 1.00 0.00 O ATOM 815 OE2 GLU A 598 -10.096 -8.584 14.135 1.00 0.00 O ATOM 0 H GLU A 598 -9.452 -13.083 16.676 1.00 0.00 H new ATOM 0 HA GLU A 598 -11.661 -11.680 17.683 1.00 0.00 H new ATOM 0 HB2 GLU A 598 -10.805 -12.352 14.828 1.00 0.00 H new ATOM 0 HB3 GLU A 598 -12.138 -11.276 15.193 1.00 0.00 H new ATOM 0 HG2 GLU A 598 -10.617 -9.708 16.330 1.00 0.00 H new ATOM 0 HG3 GLU A 598 -9.270 -10.807 16.109 1.00 0.00 H new ATOM 822 N LEU A 599 -12.356 -14.597 16.256 1.00 0.00 N ATOM 823 CA LEU A 599 -13.387 -15.654 16.119 1.00 0.00 C ATOM 824 C LEU A 599 -13.979 -15.979 17.506 1.00 0.00 C ATOM 825 O LEU A 599 -15.198 -16.071 17.673 1.00 0.00 O ATOM 826 CB LEU A 599 -12.792 -16.944 15.476 1.00 0.00 C ATOM 827 CG LEU A 599 -11.978 -16.756 14.155 1.00 0.00 C ATOM 828 CD1 LEU A 599 -11.449 -18.099 13.620 1.00 0.00 C ATOM 829 CD2 LEU A 599 -12.784 -15.987 13.081 1.00 0.00 C ATOM 0 H LEU A 599 -11.426 -14.888 15.954 1.00 0.00 H new ATOM 0 HA LEU A 599 -14.174 -15.285 15.461 1.00 0.00 H new ATOM 0 HB2 LEU A 599 -12.144 -17.423 16.210 1.00 0.00 H new ATOM 0 HB3 LEU A 599 -13.612 -17.634 15.276 1.00 0.00 H new ATOM 0 HG LEU A 599 -11.112 -16.141 14.399 1.00 0.00 H new ATOM 0 HD11 LEU A 599 -10.888 -17.929 12.701 1.00 0.00 H new ATOM 0 HD12 LEU A 599 -10.796 -18.555 14.364 1.00 0.00 H new ATOM 0 HD13 LEU A 599 -12.287 -18.765 13.416 1.00 0.00 H new ATOM 0 HD21 LEU A 599 -12.180 -15.879 12.180 1.00 0.00 H new ATOM 0 HD22 LEU A 599 -13.693 -16.539 12.844 1.00 0.00 H new ATOM 0 HD23 LEU A 599 -13.047 -15.000 13.461 1.00 0.00 H new ATOM 841 N VAL A 600 -13.073 -16.100 18.495 1.00 0.00 N ATOM 842 CA VAL A 600 -13.419 -16.407 19.898 1.00 0.00 C ATOM 843 C VAL A 600 -14.133 -15.201 20.567 1.00 0.00 C ATOM 844 O VAL A 600 -15.068 -15.387 21.356 1.00 0.00 O ATOM 845 CB VAL A 600 -12.130 -16.819 20.711 1.00 0.00 C ATOM 846 CG1 VAL A 600 -12.467 -17.193 22.175 1.00 0.00 C ATOM 847 CG2 VAL A 600 -11.364 -17.974 20.009 1.00 0.00 C ATOM 0 H VAL A 600 -12.071 -15.987 18.342 1.00 0.00 H new ATOM 0 HA VAL A 600 -14.109 -17.251 19.903 1.00 0.00 H new ATOM 0 HB VAL A 600 -11.478 -15.946 20.737 1.00 0.00 H new ATOM 0 HG11 VAL A 600 -11.553 -17.470 22.699 1.00 0.00 H new ATOM 0 HG12 VAL A 600 -12.926 -16.338 22.672 1.00 0.00 H new ATOM 0 HG13 VAL A 600 -13.160 -18.034 22.185 1.00 0.00 H new ATOM 0 HG21 VAL A 600 -10.482 -18.234 20.594 1.00 0.00 H new ATOM 0 HG22 VAL A 600 -12.014 -18.845 19.927 1.00 0.00 H new ATOM 0 HG23 VAL A 600 -11.058 -17.655 19.013 1.00 0.00 H new ATOM 857 N GLU A 601 -13.703 -13.972 20.208 1.00 0.00 N ATOM 858 CA GLU A 601 -14.286 -12.722 20.736 1.00 0.00 C ATOM 859 C GLU A 601 -15.742 -12.596 20.275 1.00 0.00 C ATOM 860 O GLU A 601 -16.628 -12.313 21.076 1.00 0.00 O ATOM 861 CB GLU A 601 -13.489 -11.465 20.271 1.00 0.00 C ATOM 862 CG GLU A 601 -12.029 -11.358 20.765 1.00 0.00 C ATOM 863 CD GLU A 601 -11.883 -11.370 22.296 1.00 0.00 C ATOM 864 OE1 GLU A 601 -12.387 -10.432 22.953 1.00 0.00 O ATOM 865 OE2 GLU A 601 -11.260 -12.305 22.844 1.00 0.00 O ATOM 0 H GLU A 601 -12.943 -13.820 19.545 1.00 0.00 H new ATOM 0 HA GLU A 601 -14.236 -12.770 21.824 1.00 0.00 H new ATOM 0 HB2 GLU A 601 -13.483 -11.447 19.181 1.00 0.00 H new ATOM 0 HB3 GLU A 601 -14.028 -10.577 20.601 1.00 0.00 H new ATOM 0 HG2 GLU A 601 -11.454 -12.186 20.349 1.00 0.00 H new ATOM 0 HG3 GLU A 601 -11.591 -10.439 20.376 1.00 0.00 H new ATOM 872 N MET A 602 -15.968 -12.852 18.973 1.00 0.00 N ATOM 873 CA MET A 602 -17.278 -12.684 18.332 1.00 0.00 C ATOM 874 C MET A 602 -18.280 -13.716 18.867 1.00 0.00 C ATOM 875 O MET A 602 -19.355 -13.330 19.316 1.00 0.00 O ATOM 876 CB MET A 602 -17.171 -12.772 16.783 1.00 0.00 C ATOM 877 CG MET A 602 -16.429 -11.599 16.115 1.00 0.00 C ATOM 878 SD MET A 602 -16.406 -11.716 14.310 1.00 0.00 S ATOM 879 CE MET A 602 -15.590 -13.295 14.033 1.00 0.00 C ATOM 0 H MET A 602 -15.242 -13.182 18.337 1.00 0.00 H new ATOM 0 HA MET A 602 -17.642 -11.687 18.581 1.00 0.00 H new ATOM 0 HB2 MET A 602 -16.663 -13.700 16.521 1.00 0.00 H new ATOM 0 HB3 MET A 602 -18.177 -12.830 16.367 1.00 0.00 H new ATOM 0 HG2 MET A 602 -16.903 -10.662 16.407 1.00 0.00 H new ATOM 0 HG3 MET A 602 -15.404 -11.566 16.485 1.00 0.00 H new ATOM 0 HE1 MET A 602 -15.387 -13.418 12.969 1.00 0.00 H new ATOM 0 HE2 MET A 602 -14.652 -13.322 14.587 1.00 0.00 H new ATOM 0 HE3 MET A 602 -16.236 -14.103 14.375 1.00 0.00 H new ATOM 889 N VAL A 603 -17.914 -15.021 18.847 1.00 0.00 N ATOM 890 CA VAL A 603 -18.831 -16.098 19.289 1.00 0.00 C ATOM 891 C VAL A 603 -19.305 -15.867 20.745 1.00 0.00 C ATOM 892 O VAL A 603 -20.506 -15.901 21.006 1.00 0.00 O ATOM 893 CB VAL A 603 -18.233 -17.558 19.127 1.00 0.00 C ATOM 894 CG1 VAL A 603 -18.001 -17.910 17.635 1.00 0.00 C ATOM 895 CG2 VAL A 603 -16.938 -17.758 19.950 1.00 0.00 C ATOM 0 H VAL A 603 -17.001 -15.350 18.533 1.00 0.00 H new ATOM 0 HA VAL A 603 -19.688 -16.043 18.618 1.00 0.00 H new ATOM 0 HB VAL A 603 -18.977 -18.247 19.528 1.00 0.00 H new ATOM 0 HG11 VAL A 603 -17.591 -18.917 17.558 1.00 0.00 H new ATOM 0 HG12 VAL A 603 -18.949 -17.862 17.098 1.00 0.00 H new ATOM 0 HG13 VAL A 603 -17.300 -17.198 17.198 1.00 0.00 H new ATOM 0 HG21 VAL A 603 -16.568 -18.773 19.805 1.00 0.00 H new ATOM 0 HG22 VAL A 603 -16.182 -17.046 19.618 1.00 0.00 H new ATOM 0 HG23 VAL A 603 -17.150 -17.596 21.007 1.00 0.00 H new ATOM 905 N LYS A 604 -18.365 -15.543 21.658 1.00 0.00 N ATOM 906 CA LYS A 604 -18.680 -15.322 23.086 1.00 0.00 C ATOM 907 C LYS A 604 -19.503 -14.033 23.291 1.00 0.00 C ATOM 908 O LYS A 604 -20.380 -13.993 24.157 1.00 0.00 O ATOM 909 CB LYS A 604 -17.383 -15.275 23.939 1.00 0.00 C ATOM 910 CG LYS A 604 -16.628 -16.619 24.020 1.00 0.00 C ATOM 911 CD LYS A 604 -15.382 -16.544 24.935 1.00 0.00 C ATOM 912 CE LYS A 604 -14.658 -17.896 25.078 1.00 0.00 C ATOM 913 NZ LYS A 604 -13.453 -17.796 25.945 1.00 0.00 N ATOM 0 H LYS A 604 -17.377 -15.428 21.430 1.00 0.00 H new ATOM 0 HA LYS A 604 -19.286 -16.165 23.420 1.00 0.00 H new ATOM 0 HB2 LYS A 604 -16.715 -14.521 23.523 1.00 0.00 H new ATOM 0 HB3 LYS A 604 -17.637 -14.953 24.949 1.00 0.00 H new ATOM 0 HG2 LYS A 604 -17.303 -17.389 24.393 1.00 0.00 H new ATOM 0 HG3 LYS A 604 -16.322 -16.921 23.018 1.00 0.00 H new ATOM 0 HD2 LYS A 604 -14.687 -15.807 24.533 1.00 0.00 H new ATOM 0 HD3 LYS A 604 -15.683 -16.193 25.922 1.00 0.00 H new ATOM 0 HE2 LYS A 604 -15.345 -18.632 25.496 1.00 0.00 H new ATOM 0 HE3 LYS A 604 -14.366 -18.256 24.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 604 -12.997 -18.728 26.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 604 -12.785 -17.113 25.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 604 -13.734 -17.477 26.894 1.00 0.00 H new ATOM 927 N ALA A 605 -19.218 -12.996 22.477 1.00 0.00 N ATOM 928 CA ALA A 605 -19.921 -11.694 22.552 1.00 0.00 C ATOM 929 C ALA A 605 -21.404 -11.844 22.169 1.00 0.00 C ATOM 930 O ALA A 605 -22.293 -11.375 22.886 1.00 0.00 O ATOM 931 CB ALA A 605 -19.234 -10.646 21.648 1.00 0.00 C ATOM 0 H ALA A 605 -18.500 -13.034 21.754 1.00 0.00 H new ATOM 0 HA ALA A 605 -19.869 -11.346 23.584 1.00 0.00 H new ATOM 0 HB1 ALA A 605 -19.768 -9.698 21.719 1.00 0.00 H new ATOM 0 HB2 ALA A 605 -18.202 -10.507 21.971 1.00 0.00 H new ATOM 0 HB3 ALA A 605 -19.247 -10.993 20.615 1.00 0.00 H new ATOM 937 N LYS A 606 -21.638 -12.529 21.039 1.00 0.00 N ATOM 938 CA LYS A 606 -22.981 -12.756 20.466 1.00 0.00 C ATOM 939 C LYS A 606 -23.816 -13.683 21.377 1.00 0.00 C ATOM 940 O LYS A 606 -25.032 -13.512 21.494 1.00 0.00 O ATOM 941 CB LYS A 606 -22.834 -13.363 19.045 1.00 0.00 C ATOM 942 CG LYS A 606 -22.052 -12.475 18.050 1.00 0.00 C ATOM 943 CD LYS A 606 -21.652 -13.218 16.748 1.00 0.00 C ATOM 944 CE LYS A 606 -22.861 -13.647 15.899 1.00 0.00 C ATOM 945 NZ LYS A 606 -23.604 -12.483 15.356 1.00 0.00 N ATOM 0 H LYS A 606 -20.890 -12.949 20.486 1.00 0.00 H new ATOM 0 HA LYS A 606 -23.507 -11.804 20.396 1.00 0.00 H new ATOM 0 HB2 LYS A 606 -22.332 -14.327 19.125 1.00 0.00 H new ATOM 0 HB3 LYS A 606 -23.828 -13.554 18.640 1.00 0.00 H new ATOM 0 HG2 LYS A 606 -22.660 -11.607 17.793 1.00 0.00 H new ATOM 0 HG3 LYS A 606 -21.152 -12.101 18.538 1.00 0.00 H new ATOM 0 HD2 LYS A 606 -21.008 -12.571 16.151 1.00 0.00 H new ATOM 0 HD3 LYS A 606 -21.066 -14.100 17.006 1.00 0.00 H new ATOM 0 HE2 LYS A 606 -22.521 -14.275 15.076 1.00 0.00 H new ATOM 0 HE3 LYS A 606 -23.533 -14.254 16.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 606 -24.358 -12.817 14.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 606 -24.024 -11.943 16.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 606 -22.951 -11.872 14.825 1.00 0.00 H new ATOM 959 N LYS A 607 -23.134 -14.665 22.013 1.00 0.00 N ATOM 960 CA LYS A 607 -23.753 -15.589 22.988 1.00 0.00 C ATOM 961 C LYS A 607 -24.247 -14.807 24.217 1.00 0.00 C ATOM 962 O LYS A 607 -25.423 -14.862 24.538 1.00 0.00 O ATOM 963 CB LYS A 607 -22.752 -16.705 23.420 1.00 0.00 C ATOM 964 CG LYS A 607 -22.544 -17.827 22.374 1.00 0.00 C ATOM 965 CD LYS A 607 -21.334 -18.733 22.704 1.00 0.00 C ATOM 966 CE LYS A 607 -21.156 -19.898 21.707 1.00 0.00 C ATOM 967 NZ LYS A 607 -22.253 -20.901 21.815 1.00 0.00 N ATOM 0 H LYS A 607 -22.140 -14.837 21.863 1.00 0.00 H new ATOM 0 HA LYS A 607 -24.605 -16.071 22.508 1.00 0.00 H new ATOM 0 HB2 LYS A 607 -21.788 -16.245 23.636 1.00 0.00 H new ATOM 0 HB3 LYS A 607 -23.107 -17.153 24.348 1.00 0.00 H new ATOM 0 HG2 LYS A 607 -23.445 -18.437 22.318 1.00 0.00 H new ATOM 0 HG3 LYS A 607 -22.400 -17.379 21.391 1.00 0.00 H new ATOM 0 HD2 LYS A 607 -20.427 -18.128 22.712 1.00 0.00 H new ATOM 0 HD3 LYS A 607 -21.455 -19.138 23.708 1.00 0.00 H new ATOM 0 HE2 LYS A 607 -21.125 -19.504 20.691 1.00 0.00 H new ATOM 0 HE3 LYS A 607 -20.199 -20.387 21.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 607 -22.076 -21.682 21.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 607 -22.289 -21.272 22.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 607 -23.161 -20.449 21.583 1.00 0.00 H new ATOM 981 N ALA A 608 -23.329 -14.054 24.859 1.00 0.00 N ATOM 982 CA ALA A 608 -23.601 -13.310 26.114 1.00 0.00 C ATOM 983 C ALA A 608 -24.716 -12.262 25.928 1.00 0.00 C ATOM 984 O ALA A 608 -25.595 -12.106 26.792 1.00 0.00 O ATOM 985 CB ALA A 608 -22.307 -12.645 26.614 1.00 0.00 C ATOM 0 H ALA A 608 -22.373 -13.942 24.522 1.00 0.00 H new ATOM 0 HA ALA A 608 -23.952 -14.022 26.861 1.00 0.00 H new ATOM 0 HB1 ALA A 608 -22.511 -12.100 27.536 1.00 0.00 H new ATOM 0 HB2 ALA A 608 -21.555 -13.410 26.804 1.00 0.00 H new ATOM 0 HB3 ALA A 608 -21.938 -11.953 25.857 1.00 0.00 H new