USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=20 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 588 THR OG1 : rot -52:sc= 0.463 USER MOD Set 1.2: A 590 LYS NZ :NH3+ 160:sc= 0.568 (180deg=0.136) USER MOD Set 2.1: A 564 GLN :FLIP amide:sc= 0 F(o=0.48,f=1) USER MOD Set 2.2: A 568 THR OG1 : rot 69:sc= 1.04 USER MOD Single : A 555 THR OG1 : rot -107:sc= 0.32 USER MOD Single : A 556 THR OG1 : rot 180:sc= 0 USER MOD Single : A 559 GLN :FLIP amide:sc= -0.214 F(o=-4!,f=-0.21) USER MOD Single : A 560 LYS NZ :NH3+ -177:sc= -0.899 (180deg=-0.909) USER MOD Single : A 567 LYS NZ :NH3+ -127:sc= 0.945 (180deg=-0.152) USER MOD Single : A 569 TYR OH : rot 166:sc= 0 USER MOD Single : A 572 ASN : amide:sc= -0.015 K(o=-0.015,f=-0.69) USER MOD Single : A 573 THR OG1 : rot -160:sc= -0.0121 USER MOD Single : A 578 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 579 LYS NZ :NH3+ 166:sc= -0.011 (180deg=-0.204) USER MOD Single : A 589 LYS NZ :NH3+ -142:sc= 0.977 (180deg=0.311) USER MOD Single : A 592 CYS SG : rot 65:sc= 0.137 USER MOD Single : A 593 MET CE :methyl -146:sc= 0 (180deg=-0.639) USER MOD Single : A 594 LYS NZ :NH3+ 152:sc= 1.09 (180deg=0.546) USER MOD Single : A 596 TYR OH : rot 180:sc= 0 USER MOD Single : A 597 LYS NZ :NH3+ -170:sc= -0.0116 (180deg=-0.154) USER MOD Single : A 602 MET CE :methyl 177:sc= -0.395 (180deg=-0.418) USER MOD Single : A 604 LYS NZ :NH3+ -170:sc=-0.00873 (180deg=-0.148) 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 -6.907 -10.274 4.472 1.00 0.00 N ATOM 50 CA TRP A 554 -7.188 -11.720 4.419 1.00 0.00 C ATOM 51 C TRP A 554 -8.207 -12.022 3.302 1.00 0.00 C ATOM 52 O TRP A 554 -9.385 -11.652 3.408 1.00 0.00 O ATOM 53 CB TRP A 554 -7.739 -12.223 5.777 1.00 0.00 C ATOM 54 CG TRP A 554 -6.748 -12.194 6.914 1.00 0.00 C ATOM 55 CD1 TRP A 554 -6.534 -11.179 7.807 1.00 0.00 C ATOM 56 CD2 TRP A 554 -5.856 -13.250 7.291 1.00 0.00 C ATOM 57 NE1 TRP A 554 -5.570 -11.546 8.715 1.00 0.00 N ATOM 58 CE2 TRP A 554 -5.136 -12.812 8.416 1.00 0.00 C ATOM 59 CE3 TRP A 554 -5.604 -14.525 6.783 1.00 0.00 C ATOM 60 CZ2 TRP A 554 -4.174 -13.603 9.036 1.00 0.00 C ATOM 61 CZ3 TRP A 554 -4.655 -15.310 7.401 1.00 0.00 C ATOM 62 CH2 TRP A 554 -3.948 -14.846 8.519 1.00 0.00 C ATOM 0 HA TRP A 554 -6.254 -12.241 4.207 1.00 0.00 H new ATOM 0 HB2 TRP A 554 -8.601 -11.615 6.050 1.00 0.00 H new ATOM 0 HB3 TRP A 554 -8.096 -13.245 5.652 1.00 0.00 H new ATOM 0 HD1 TRP A 554 -7.048 -10.229 7.799 1.00 0.00 H new ATOM 0 HE1 TRP A 554 -5.232 -10.970 9.486 1.00 0.00 H new ATOM 0 HE3 TRP A 554 -6.143 -14.890 5.921 1.00 0.00 H new ATOM 0 HZ2 TRP A 554 -3.626 -13.246 9.895 1.00 0.00 H new ATOM 0 HZ3 TRP A 554 -4.453 -16.299 7.018 1.00 0.00 H new ATOM 0 HH2 TRP A 554 -3.210 -15.485 8.981 1.00 0.00 H new ATOM 73 N THR A 555 -7.719 -12.650 2.223 1.00 0.00 N ATOM 74 CA THR A 555 -8.552 -13.070 1.085 1.00 0.00 C ATOM 75 C THR A 555 -9.372 -14.316 1.471 1.00 0.00 C ATOM 76 O THR A 555 -9.050 -14.971 2.460 1.00 0.00 O ATOM 77 CB THR A 555 -7.661 -13.390 -0.157 1.00 0.00 C ATOM 78 OG1 THR A 555 -6.830 -14.536 0.117 1.00 0.00 O ATOM 79 CG2 THR A 555 -6.763 -12.199 -0.537 1.00 0.00 C ATOM 0 H THR A 555 -6.732 -12.882 2.114 1.00 0.00 H new ATOM 0 HA THR A 555 -9.229 -12.255 0.829 1.00 0.00 H new ATOM 0 HB THR A 555 -8.328 -13.598 -0.993 1.00 0.00 H new ATOM 0 HG1 THR A 555 -5.903 -14.245 0.246 1.00 0.00 H new ATOM 0 HG21 THR A 555 -6.159 -12.461 -1.405 1.00 0.00 H new ATOM 0 HG22 THR A 555 -7.385 -11.336 -0.775 1.00 0.00 H new ATOM 0 HG23 THR A 555 -6.109 -11.955 0.300 1.00 0.00 H new ATOM 87 N THR A 556 -10.399 -14.659 0.674 1.00 0.00 N ATOM 88 CA THR A 556 -11.291 -15.812 0.949 1.00 0.00 C ATOM 89 C THR A 556 -10.494 -17.138 1.016 1.00 0.00 C ATOM 90 O THR A 556 -10.775 -18.006 1.857 1.00 0.00 O ATOM 91 CB THR A 556 -12.405 -15.906 -0.145 1.00 0.00 C ATOM 92 OG1 THR A 556 -13.123 -14.663 -0.202 1.00 0.00 O ATOM 93 CG2 THR A 556 -13.406 -17.053 0.108 1.00 0.00 C ATOM 0 H THR A 556 -10.638 -14.150 -0.177 1.00 0.00 H new ATOM 0 HA THR A 556 -11.757 -15.651 1.921 1.00 0.00 H new ATOM 0 HB THR A 556 -11.904 -16.115 -1.090 1.00 0.00 H new ATOM 0 HG1 THR A 556 -13.820 -14.719 -0.888 1.00 0.00 H new ATOM 0 HG21 THR A 556 -14.153 -17.065 -0.685 1.00 0.00 H new ATOM 0 HG22 THR A 556 -12.874 -18.004 0.120 1.00 0.00 H new ATOM 0 HG23 THR A 556 -13.899 -16.901 1.068 1.00 0.00 H new ATOM 101 N GLU A 557 -9.473 -17.251 0.142 1.00 0.00 N ATOM 102 CA GLU A 557 -8.619 -18.450 0.045 1.00 0.00 C ATOM 103 C GLU A 557 -7.637 -18.546 1.239 1.00 0.00 C ATOM 104 O GLU A 557 -7.538 -19.600 1.860 1.00 0.00 O ATOM 105 CB GLU A 557 -7.879 -18.482 -1.322 1.00 0.00 C ATOM 106 CG GLU A 557 -7.000 -17.256 -1.621 1.00 0.00 C ATOM 107 CD GLU A 557 -6.440 -17.245 -3.049 1.00 0.00 C ATOM 108 OE1 GLU A 557 -7.173 -16.840 -3.979 1.00 0.00 O ATOM 109 OE2 GLU A 557 -5.269 -17.625 -3.253 1.00 0.00 O ATOM 0 H GLU A 557 -9.218 -16.514 -0.515 1.00 0.00 H new ATOM 0 HA GLU A 557 -9.259 -19.331 0.096 1.00 0.00 H new ATOM 0 HB2 GLU A 557 -7.254 -19.374 -1.358 1.00 0.00 H new ATOM 0 HB3 GLU A 557 -8.620 -18.580 -2.116 1.00 0.00 H new ATOM 0 HG2 GLU A 557 -7.585 -16.350 -1.461 1.00 0.00 H new ATOM 0 HG3 GLU A 557 -6.172 -17.230 -0.913 1.00 0.00 H new ATOM 116 N GLU A 558 -6.960 -17.435 1.592 1.00 0.00 N ATOM 117 CA GLU A 558 -5.952 -17.422 2.684 1.00 0.00 C ATOM 118 C GLU A 558 -6.618 -17.490 4.065 1.00 0.00 C ATOM 119 O GLU A 558 -6.032 -18.015 5.021 1.00 0.00 O ATOM 120 CB GLU A 558 -5.058 -16.161 2.588 1.00 0.00 C ATOM 121 CG GLU A 558 -4.176 -16.106 1.329 1.00 0.00 C ATOM 122 CD GLU A 558 -3.379 -14.797 1.231 1.00 0.00 C ATOM 123 OE1 GLU A 558 -2.300 -14.701 1.844 1.00 0.00 O ATOM 124 OE2 GLU A 558 -3.851 -13.851 0.564 1.00 0.00 O ATOM 0 H GLU A 558 -7.090 -16.531 1.139 1.00 0.00 H new ATOM 0 HA GLU A 558 -5.329 -18.308 2.564 1.00 0.00 H new ATOM 0 HB2 GLU A 558 -5.694 -15.276 2.611 1.00 0.00 H new ATOM 0 HB3 GLU A 558 -4.417 -16.116 3.469 1.00 0.00 H new ATOM 0 HG2 GLU A 558 -3.485 -16.949 1.335 1.00 0.00 H new ATOM 0 HG3 GLU A 558 -4.803 -16.214 0.444 1.00 0.00 H new ATOM 131 N GLN A 559 -7.850 -16.962 4.160 1.00 0.00 N ATOM 132 CA GLN A 559 -8.596 -16.903 5.422 1.00 0.00 C ATOM 133 C GLN A 559 -9.189 -18.277 5.757 1.00 0.00 C ATOM 134 O GLN A 559 -9.172 -18.682 6.922 1.00 0.00 O ATOM 135 CB GLN A 559 -9.701 -15.817 5.379 1.00 0.00 C ATOM 136 CG GLN A 559 -10.433 -15.572 6.717 1.00 0.00 C ATOM 137 CD GLN A 559 -9.491 -15.165 7.850 1.00 0.00 C ATOM 138 OE1 GLN A 559 -8.949 -16.145 8.557 1.00 0.00 O flip ATOM 139 NE2 GLN A 559 -9.249 -13.986 8.082 1.00 0.00 N flip ATOM 0 H GLN A 559 -8.353 -16.566 3.366 1.00 0.00 H new ATOM 0 HA GLN A 559 -7.898 -16.625 6.212 1.00 0.00 H new ATOM 0 HB2 GLN A 559 -9.254 -14.879 5.051 1.00 0.00 H new ATOM 0 HB3 GLN A 559 -10.437 -16.100 4.627 1.00 0.00 H new ATOM 0 HG2 GLN A 559 -11.182 -14.792 6.577 1.00 0.00 H new ATOM 0 HG3 GLN A 559 -10.966 -16.478 7.004 1.00 0.00 H new ATOM 0 HE21 GLN A 559 -9.684 -13.256 7.518 1.00 0.00 H new ATOM 0 HE22 GLN A 559 -8.613 -13.735 8.839 1.00 0.00 H new ATOM 148 N LYS A 560 -9.690 -19.006 4.731 1.00 0.00 N ATOM 149 CA LYS A 560 -10.186 -20.389 4.942 1.00 0.00 C ATOM 150 C LYS A 560 -9.022 -21.323 5.301 1.00 0.00 C ATOM 151 O LYS A 560 -9.208 -22.254 6.063 1.00 0.00 O ATOM 152 CB LYS A 560 -10.974 -20.964 3.724 1.00 0.00 C ATOM 153 CG LYS A 560 -10.143 -21.220 2.445 1.00 0.00 C ATOM 154 CD LYS A 560 -10.866 -22.119 1.405 1.00 0.00 C ATOM 155 CE LYS A 560 -12.276 -21.625 1.043 1.00 0.00 C ATOM 156 NZ LYS A 560 -12.277 -20.221 0.564 1.00 0.00 N ATOM 0 H LYS A 560 -9.761 -18.671 3.770 1.00 0.00 H new ATOM 0 HA LYS A 560 -10.892 -20.335 5.770 1.00 0.00 H new ATOM 0 HB2 LYS A 560 -11.439 -21.902 4.026 1.00 0.00 H new ATOM 0 HB3 LYS A 560 -11.781 -20.273 3.478 1.00 0.00 H new ATOM 0 HG2 LYS A 560 -9.901 -20.264 1.981 1.00 0.00 H new ATOM 0 HG3 LYS A 560 -9.198 -21.687 2.723 1.00 0.00 H new ATOM 0 HD2 LYS A 560 -10.263 -22.169 0.498 1.00 0.00 H new ATOM 0 HD3 LYS A 560 -10.935 -23.133 1.798 1.00 0.00 H new ATOM 0 HE2 LYS A 560 -12.697 -22.270 0.271 1.00 0.00 H new ATOM 0 HE3 LYS A 560 -12.923 -21.709 1.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 560 -13.255 -19.917 0.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 560 -11.853 -19.607 1.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 560 -11.723 -20.153 -0.314 1.00 0.00 H new ATOM 170 N LEU A 561 -7.813 -21.044 4.749 1.00 0.00 N ATOM 171 CA LEU A 561 -6.573 -21.789 5.084 1.00 0.00 C ATOM 172 C LEU A 561 -6.183 -21.557 6.556 1.00 0.00 C ATOM 173 O LEU A 561 -5.741 -22.483 7.228 1.00 0.00 O ATOM 174 CB LEU A 561 -5.400 -21.368 4.155 1.00 0.00 C ATOM 175 CG LEU A 561 -5.514 -21.808 2.662 1.00 0.00 C ATOM 176 CD1 LEU A 561 -4.419 -21.141 1.796 1.00 0.00 C ATOM 177 CD2 LEU A 561 -5.478 -23.347 2.522 1.00 0.00 C ATOM 0 H LEU A 561 -7.671 -20.302 4.064 1.00 0.00 H new ATOM 0 HA LEU A 561 -6.771 -22.850 4.932 1.00 0.00 H new ATOM 0 HB2 LEU A 561 -5.310 -20.282 4.187 1.00 0.00 H new ATOM 0 HB3 LEU A 561 -4.476 -21.776 4.563 1.00 0.00 H new ATOM 0 HG LEU A 561 -6.482 -21.468 2.293 1.00 0.00 H new ATOM 0 HD11 LEU A 561 -4.525 -21.467 0.761 1.00 0.00 H new ATOM 0 HD12 LEU A 561 -4.524 -20.057 1.847 1.00 0.00 H new ATOM 0 HD13 LEU A 561 -3.436 -21.428 2.168 1.00 0.00 H new ATOM 0 HD21 LEU A 561 -5.560 -23.619 1.470 1.00 0.00 H new ATOM 0 HD22 LEU A 561 -4.538 -23.727 2.923 1.00 0.00 H new ATOM 0 HD23 LEU A 561 -6.311 -23.782 3.075 1.00 0.00 H new ATOM 189 N LEU A 562 -6.361 -20.306 7.028 1.00 0.00 N ATOM 190 CA LEU A 562 -6.066 -19.906 8.421 1.00 0.00 C ATOM 191 C LEU A 562 -6.970 -20.665 9.396 1.00 0.00 C ATOM 192 O LEU A 562 -6.498 -21.328 10.328 1.00 0.00 O ATOM 193 CB LEU A 562 -6.233 -18.353 8.563 1.00 0.00 C ATOM 194 CG LEU A 562 -5.869 -17.669 9.941 1.00 0.00 C ATOM 195 CD1 LEU A 562 -6.999 -17.751 10.984 1.00 0.00 C ATOM 196 CD2 LEU A 562 -4.560 -18.232 10.508 1.00 0.00 C ATOM 0 H LEU A 562 -6.715 -19.542 6.452 1.00 0.00 H new ATOM 0 HA LEU A 562 -5.036 -20.163 8.667 1.00 0.00 H new ATOM 0 HB2 LEU A 562 -5.623 -17.884 7.791 1.00 0.00 H new ATOM 0 HB3 LEU A 562 -7.272 -18.111 8.339 1.00 0.00 H new ATOM 0 HG LEU A 562 -5.732 -16.610 9.723 1.00 0.00 H new ATOM 0 HD11 LEU A 562 -6.681 -17.262 11.905 1.00 0.00 H new ATOM 0 HD12 LEU A 562 -7.888 -17.253 10.597 1.00 0.00 H new ATOM 0 HD13 LEU A 562 -7.229 -18.796 11.189 1.00 0.00 H new ATOM 0 HD21 LEU A 562 -4.334 -17.744 11.456 1.00 0.00 H new ATOM 0 HD22 LEU A 562 -4.665 -19.305 10.669 1.00 0.00 H new ATOM 0 HD23 LEU A 562 -3.749 -18.048 9.803 1.00 0.00 H new ATOM 208 N GLU A 563 -8.273 -20.560 9.140 1.00 0.00 N ATOM 209 CA GLU A 563 -9.316 -21.107 10.009 1.00 0.00 C ATOM 210 C GLU A 563 -9.324 -22.643 9.962 1.00 0.00 C ATOM 211 O GLU A 563 -9.566 -23.286 10.981 1.00 0.00 O ATOM 212 CB GLU A 563 -10.680 -20.501 9.602 1.00 0.00 C ATOM 213 CG GLU A 563 -10.724 -18.962 9.711 1.00 0.00 C ATOM 214 CD GLU A 563 -12.060 -18.353 9.249 1.00 0.00 C ATOM 215 OE1 GLU A 563 -12.230 -18.112 8.036 1.00 0.00 O ATOM 216 OE2 GLU A 563 -12.940 -18.102 10.100 1.00 0.00 O ATOM 0 H GLU A 563 -8.639 -20.087 8.314 1.00 0.00 H new ATOM 0 HA GLU A 563 -9.113 -20.834 11.044 1.00 0.00 H new ATOM 0 HB2 GLU A 563 -10.907 -20.792 8.576 1.00 0.00 H new ATOM 0 HB3 GLU A 563 -11.461 -20.925 10.234 1.00 0.00 H new ATOM 0 HG2 GLU A 563 -10.541 -18.673 10.746 1.00 0.00 H new ATOM 0 HG3 GLU A 563 -9.915 -18.540 9.114 1.00 0.00 H new ATOM 223 N GLN A 564 -9.005 -23.211 8.783 1.00 0.00 N ATOM 224 CA GLN A 564 -8.840 -24.672 8.598 1.00 0.00 C ATOM 225 C GLN A 564 -7.609 -25.159 9.365 1.00 0.00 C ATOM 226 O GLN A 564 -7.639 -26.218 9.962 1.00 0.00 O ATOM 227 CB GLN A 564 -8.713 -25.044 7.092 1.00 0.00 C ATOM 228 CG GLN A 564 -8.466 -26.540 6.767 1.00 0.00 C ATOM 229 CD GLN A 564 -9.568 -27.473 7.285 1.00 0.00 C ATOM 230 OE1 GLN A 564 -9.377 -28.032 8.472 1.00 0.00 O flip ATOM 231 NE2 GLN A 564 -10.569 -27.704 6.614 1.00 0.00 N flip ATOM 0 H GLN A 564 -8.854 -22.673 7.930 1.00 0.00 H new ATOM 0 HA GLN A 564 -9.730 -25.164 8.990 1.00 0.00 H new ATOM 0 HB2 GLN A 564 -9.626 -24.731 6.585 1.00 0.00 H new ATOM 0 HB3 GLN A 564 -7.896 -24.463 6.665 1.00 0.00 H new ATOM 0 HG2 GLN A 564 -8.380 -26.659 5.687 1.00 0.00 H new ATOM 0 HG3 GLN A 564 -7.512 -26.844 7.198 1.00 0.00 H new ATOM 0 HE21 GLN A 564 -10.687 -27.258 5.704 1.00 0.00 H new ATOM 0 HE22 GLN A 564 -11.283 -28.342 6.966 1.00 0.00 H new ATOM 240 N ALA A 565 -6.537 -24.358 9.351 1.00 0.00 N ATOM 241 CA ALA A 565 -5.289 -24.665 10.076 1.00 0.00 C ATOM 242 C ALA A 565 -5.517 -24.637 11.608 1.00 0.00 C ATOM 243 O ALA A 565 -4.846 -25.335 12.363 1.00 0.00 O ATOM 244 CB ALA A 565 -4.179 -23.696 9.647 1.00 0.00 C ATOM 0 H ALA A 565 -6.506 -23.477 8.838 1.00 0.00 H new ATOM 0 HA ALA A 565 -4.971 -25.676 9.819 1.00 0.00 H new ATOM 0 HB1 ALA A 565 -3.262 -23.931 10.188 1.00 0.00 H new ATOM 0 HB2 ALA A 565 -4.004 -23.795 8.576 1.00 0.00 H new ATOM 0 HB3 ALA A 565 -4.481 -22.673 9.873 1.00 0.00 H new ATOM 250 N LEU A 566 -6.493 -23.828 12.050 1.00 0.00 N ATOM 251 CA LEU A 566 -6.942 -23.800 13.457 1.00 0.00 C ATOM 252 C LEU A 566 -7.751 -25.074 13.818 1.00 0.00 C ATOM 253 O LEU A 566 -7.848 -25.428 14.996 1.00 0.00 O ATOM 254 CB LEU A 566 -7.793 -22.531 13.718 1.00 0.00 C ATOM 255 CG LEU A 566 -7.045 -21.168 13.555 1.00 0.00 C ATOM 256 CD1 LEU A 566 -8.021 -19.982 13.637 1.00 0.00 C ATOM 257 CD2 LEU A 566 -5.913 -21.020 14.594 1.00 0.00 C ATOM 0 H LEU A 566 -6.994 -23.176 11.447 1.00 0.00 H new ATOM 0 HA LEU A 566 -6.057 -23.775 14.093 1.00 0.00 H new ATOM 0 HB2 LEU A 566 -8.645 -22.541 13.038 1.00 0.00 H new ATOM 0 HB3 LEU A 566 -8.193 -22.586 14.730 1.00 0.00 H new ATOM 0 HG LEU A 566 -6.592 -21.162 12.564 1.00 0.00 H new ATOM 0 HD11 LEU A 566 -7.470 -19.049 13.520 1.00 0.00 H new ATOM 0 HD12 LEU A 566 -8.764 -20.067 12.844 1.00 0.00 H new ATOM 0 HD13 LEU A 566 -8.522 -19.989 14.605 1.00 0.00 H new ATOM 0 HD21 LEU A 566 -5.413 -20.062 14.453 1.00 0.00 H new ATOM 0 HD22 LEU A 566 -6.333 -21.066 15.599 1.00 0.00 H new ATOM 0 HD23 LEU A 566 -5.192 -21.828 14.465 1.00 0.00 H new ATOM 269 N LYS A 567 -8.345 -25.730 12.794 1.00 0.00 N ATOM 270 CA LYS A 567 -9.120 -26.987 12.975 1.00 0.00 C ATOM 271 C LYS A 567 -8.195 -28.224 12.843 1.00 0.00 C ATOM 272 O LYS A 567 -8.395 -29.243 13.515 1.00 0.00 O ATOM 273 CB LYS A 567 -10.278 -27.096 11.925 1.00 0.00 C ATOM 274 CG LYS A 567 -11.188 -25.851 11.784 1.00 0.00 C ATOM 275 CD LYS A 567 -11.709 -25.290 13.124 1.00 0.00 C ATOM 276 CE LYS A 567 -12.697 -24.118 12.939 1.00 0.00 C ATOM 277 NZ LYS A 567 -12.107 -22.986 12.167 1.00 0.00 N ATOM 0 H LYS A 567 -8.303 -25.409 11.827 1.00 0.00 H new ATOM 0 HA LYS A 567 -9.552 -26.961 13.975 1.00 0.00 H new ATOM 0 HB2 LYS A 567 -9.839 -27.312 10.951 1.00 0.00 H new ATOM 0 HB3 LYS A 567 -10.902 -27.949 12.190 1.00 0.00 H new ATOM 0 HG2 LYS A 567 -10.634 -25.068 11.266 1.00 0.00 H new ATOM 0 HG3 LYS A 567 -12.040 -26.108 11.155 1.00 0.00 H new ATOM 0 HD2 LYS A 567 -12.200 -26.088 13.680 1.00 0.00 H new ATOM 0 HD3 LYS A 567 -10.864 -24.955 13.725 1.00 0.00 H new ATOM 0 HE2 LYS A 567 -13.589 -24.477 12.425 1.00 0.00 H new ATOM 0 HE3 LYS A 567 -13.016 -23.758 13.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 567 -12.220 -22.103 12.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 567 -11.096 -23.166 12.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 567 -12.594 -22.899 11.252 1.00 0.00 H new ATOM 291 N THR A 568 -7.188 -28.111 11.957 1.00 0.00 N ATOM 292 CA THR A 568 -6.245 -29.201 11.627 1.00 0.00 C ATOM 293 C THR A 568 -5.211 -29.356 12.755 1.00 0.00 C ATOM 294 O THR A 568 -4.924 -30.469 13.216 1.00 0.00 O ATOM 295 CB THR A 568 -5.522 -28.914 10.263 1.00 0.00 C ATOM 296 OG1 THR A 568 -6.497 -28.677 9.234 1.00 0.00 O ATOM 297 CG2 THR A 568 -4.600 -30.072 9.824 1.00 0.00 C ATOM 0 H THR A 568 -7.002 -27.250 11.443 1.00 0.00 H new ATOM 0 HA THR A 568 -6.806 -30.130 11.527 1.00 0.00 H new ATOM 0 HB THR A 568 -4.900 -28.032 10.414 1.00 0.00 H new ATOM 0 HG1 THR A 568 -6.955 -27.828 9.407 1.00 0.00 H new ATOM 0 HG21 THR A 568 -4.126 -29.820 8.875 1.00 0.00 H new ATOM 0 HG22 THR A 568 -3.833 -30.233 10.581 1.00 0.00 H new ATOM 0 HG23 THR A 568 -5.189 -30.981 9.705 1.00 0.00 H new ATOM 305 N TYR A 569 -4.659 -28.215 13.183 1.00 0.00 N ATOM 306 CA TYR A 569 -3.711 -28.138 14.304 1.00 0.00 C ATOM 307 C TYR A 569 -4.476 -27.545 15.507 1.00 0.00 C ATOM 308 O TYR A 569 -4.825 -26.355 15.472 1.00 0.00 O ATOM 309 CB TYR A 569 -2.480 -27.244 13.928 1.00 0.00 C ATOM 310 CG TYR A 569 -2.025 -27.383 12.463 1.00 0.00 C ATOM 311 CD1 TYR A 569 -1.573 -28.600 11.956 1.00 0.00 C ATOM 312 CD2 TYR A 569 -2.093 -26.302 11.579 1.00 0.00 C ATOM 313 CE1 TYR A 569 -1.192 -28.725 10.631 1.00 0.00 C ATOM 314 CE2 TYR A 569 -1.720 -26.428 10.256 1.00 0.00 C ATOM 315 CZ TYR A 569 -1.273 -27.640 9.787 1.00 0.00 C ATOM 316 OH TYR A 569 -0.891 -27.759 8.469 1.00 0.00 O ATOM 0 H TYR A 569 -4.859 -27.310 12.758 1.00 0.00 H new ATOM 0 HA TYR A 569 -3.322 -29.126 14.549 1.00 0.00 H new ATOM 0 HB2 TYR A 569 -2.730 -26.201 14.122 1.00 0.00 H new ATOM 0 HB3 TYR A 569 -1.646 -27.499 14.582 1.00 0.00 H new ATOM 0 HD1 TYR A 569 -1.519 -29.460 12.608 1.00 0.00 H new ATOM 0 HD2 TYR A 569 -2.445 -25.347 11.939 1.00 0.00 H new ATOM 0 HE1 TYR A 569 -0.831 -29.673 10.260 1.00 0.00 H new ATOM 0 HE2 TYR A 569 -1.779 -25.578 9.592 1.00 0.00 H new ATOM 0 HH TYR A 569 -1.218 -26.987 7.963 1.00 0.00 H new ATOM 326 N PRO A 570 -4.803 -28.363 16.561 1.00 0.00 N ATOM 327 CA PRO A 570 -5.526 -27.863 17.756 1.00 0.00 C ATOM 328 C PRO A 570 -4.667 -26.882 18.581 1.00 0.00 C ATOM 329 O PRO A 570 -3.448 -26.778 18.377 1.00 0.00 O ATOM 330 CB PRO A 570 -5.855 -29.155 18.551 1.00 0.00 C ATOM 331 CG PRO A 570 -4.798 -30.131 18.135 1.00 0.00 C ATOM 332 CD PRO A 570 -4.498 -29.819 16.678 1.00 0.00 C ATOM 0 HA PRO A 570 -6.417 -27.291 17.498 1.00 0.00 H new ATOM 0 HB2 PRO A 570 -5.830 -28.977 19.626 1.00 0.00 H new ATOM 0 HB3 PRO A 570 -6.852 -29.525 18.313 1.00 0.00 H new ATOM 0 HG2 PRO A 570 -3.904 -30.025 18.750 1.00 0.00 H new ATOM 0 HG3 PRO A 570 -5.146 -31.157 18.252 1.00 0.00 H new ATOM 0 HD2 PRO A 570 -3.459 -30.032 16.428 1.00 0.00 H new ATOM 0 HD3 PRO A 570 -5.116 -30.413 16.005 1.00 0.00 H new ATOM 340 N VAL A 571 -5.319 -26.176 19.517 1.00 0.00 N ATOM 341 CA VAL A 571 -4.650 -25.204 20.411 1.00 0.00 C ATOM 342 C VAL A 571 -3.635 -25.913 21.344 1.00 0.00 C ATOM 343 O VAL A 571 -2.645 -25.317 21.786 1.00 0.00 O ATOM 344 CB VAL A 571 -5.706 -24.382 21.251 1.00 0.00 C ATOM 345 CG1 VAL A 571 -6.474 -25.284 22.251 1.00 0.00 C ATOM 346 CG2 VAL A 571 -5.044 -23.168 21.954 1.00 0.00 C ATOM 0 H VAL A 571 -6.323 -26.259 19.680 1.00 0.00 H new ATOM 0 HA VAL A 571 -4.099 -24.502 19.785 1.00 0.00 H new ATOM 0 HB VAL A 571 -6.445 -23.988 20.553 1.00 0.00 H new ATOM 0 HG11 VAL A 571 -7.190 -24.681 22.809 1.00 0.00 H new ATOM 0 HG12 VAL A 571 -7.004 -26.064 21.704 1.00 0.00 H new ATOM 0 HG13 VAL A 571 -5.768 -25.742 22.944 1.00 0.00 H new ATOM 0 HG21 VAL A 571 -5.796 -22.623 22.524 1.00 0.00 H new ATOM 0 HG22 VAL A 571 -4.263 -23.519 22.628 1.00 0.00 H new ATOM 0 HG23 VAL A 571 -4.607 -22.508 21.205 1.00 0.00 H new ATOM 356 N ASN A 572 -3.896 -27.210 21.585 1.00 0.00 N ATOM 357 CA ASN A 572 -3.075 -28.081 22.442 1.00 0.00 C ATOM 358 C ASN A 572 -1.692 -28.362 21.804 1.00 0.00 C ATOM 359 O ASN A 572 -0.724 -28.651 22.517 1.00 0.00 O ATOM 360 CB ASN A 572 -3.840 -29.409 22.708 1.00 0.00 C ATOM 361 CG ASN A 572 -5.251 -29.183 23.275 1.00 0.00 C ATOM 362 OD1 ASN A 572 -6.214 -29.033 22.523 1.00 0.00 O ATOM 363 ND2 ASN A 572 -5.378 -29.138 24.599 1.00 0.00 N ATOM 0 H ASN A 572 -4.700 -27.691 21.181 1.00 0.00 H new ATOM 0 HA ASN A 572 -2.895 -27.571 23.388 1.00 0.00 H new ATOM 0 HB2 ASN A 572 -3.914 -29.973 21.778 1.00 0.00 H new ATOM 0 HB3 ASN A 572 -3.267 -30.019 23.406 1.00 0.00 H new ATOM 0 HD21 ASN A 572 -6.293 -28.975 25.018 1.00 0.00 H new ATOM 0 HD22 ASN A 572 -4.560 -29.266 25.194 1.00 0.00 H new ATOM 370 N THR A 573 -1.614 -28.286 20.456 1.00 0.00 N ATOM 371 CA THR A 573 -0.356 -28.496 19.709 1.00 0.00 C ATOM 372 C THR A 573 0.616 -27.308 19.938 1.00 0.00 C ATOM 373 O THR A 573 0.262 -26.161 19.626 1.00 0.00 O ATOM 374 CB THR A 573 -0.640 -28.680 18.176 1.00 0.00 C ATOM 375 OG1 THR A 573 -1.462 -29.840 17.972 1.00 0.00 O ATOM 376 CG2 THR A 573 0.647 -28.824 17.337 1.00 0.00 C ATOM 0 H THR A 573 -2.416 -28.079 19.860 1.00 0.00 H new ATOM 0 HA THR A 573 0.112 -29.407 20.082 1.00 0.00 H new ATOM 0 HB THR A 573 -1.150 -27.777 17.841 1.00 0.00 H new ATOM 0 HG1 THR A 573 -1.381 -30.139 17.042 1.00 0.00 H new ATOM 0 HG21 THR A 573 0.384 -28.948 16.286 1.00 0.00 H new ATOM 0 HG22 THR A 573 1.260 -27.930 17.455 1.00 0.00 H new ATOM 0 HG23 THR A 573 1.207 -29.695 17.676 1.00 0.00 H new ATOM 384 N PRO A 574 1.856 -27.558 20.497 1.00 0.00 N ATOM 385 CA PRO A 574 2.878 -26.494 20.719 1.00 0.00 C ATOM 386 C PRO A 574 3.414 -25.878 19.405 1.00 0.00 C ATOM 387 O PRO A 574 3.892 -24.733 19.381 1.00 0.00 O ATOM 388 CB PRO A 574 4.011 -27.237 21.496 1.00 0.00 C ATOM 389 CG PRO A 574 3.360 -28.473 22.034 1.00 0.00 C ATOM 390 CD PRO A 574 2.352 -28.875 20.986 1.00 0.00 C ATOM 0 HA PRO A 574 2.462 -25.643 21.258 1.00 0.00 H new ATOM 0 HB2 PRO A 574 4.845 -27.483 20.839 1.00 0.00 H new ATOM 0 HB3 PRO A 574 4.410 -26.619 22.300 1.00 0.00 H new ATOM 0 HG2 PRO A 574 4.092 -29.263 22.200 1.00 0.00 H new ATOM 0 HG3 PRO A 574 2.877 -28.279 22.992 1.00 0.00 H new ATOM 0 HD2 PRO A 574 2.808 -29.459 20.187 1.00 0.00 H new ATOM 0 HD3 PRO A 574 1.549 -29.481 21.406 1.00 0.00 H new ATOM 398 N GLU A 575 3.308 -26.652 18.311 1.00 0.00 N ATOM 399 CA GLU A 575 3.849 -26.287 16.989 1.00 0.00 C ATOM 400 C GLU A 575 2.813 -25.536 16.127 1.00 0.00 C ATOM 401 O GLU A 575 3.138 -25.154 14.995 1.00 0.00 O ATOM 402 CB GLU A 575 4.282 -27.569 16.225 1.00 0.00 C ATOM 403 CG GLU A 575 5.099 -28.580 17.045 1.00 0.00 C ATOM 404 CD GLU A 575 5.563 -29.775 16.199 1.00 0.00 C ATOM 405 OE1 GLU A 575 4.717 -30.638 15.868 1.00 0.00 O ATOM 406 OE2 GLU A 575 6.757 -29.844 15.836 1.00 0.00 O ATOM 0 H GLU A 575 2.840 -27.558 18.319 1.00 0.00 H new ATOM 0 HA GLU A 575 4.701 -25.630 17.161 1.00 0.00 H new ATOM 0 HB2 GLU A 575 3.388 -28.068 15.851 1.00 0.00 H new ATOM 0 HB3 GLU A 575 4.869 -27.273 15.356 1.00 0.00 H new ATOM 0 HG2 GLU A 575 5.968 -28.080 17.472 1.00 0.00 H new ATOM 0 HG3 GLU A 575 4.496 -28.940 17.879 1.00 0.00 H new ATOM 413 N ARG A 576 1.597 -25.315 16.691 1.00 0.00 N ATOM 414 CA ARG A 576 0.374 -24.919 15.931 1.00 0.00 C ATOM 415 C ARG A 576 0.653 -23.822 14.883 1.00 0.00 C ATOM 416 O ARG A 576 0.495 -24.047 13.682 1.00 0.00 O ATOM 417 CB ARG A 576 -0.736 -24.421 16.904 1.00 0.00 C ATOM 418 CG ARG A 576 -2.129 -24.234 16.252 1.00 0.00 C ATOM 419 CD ARG A 576 -3.129 -23.534 17.184 1.00 0.00 C ATOM 420 NE ARG A 576 -4.533 -23.699 16.750 1.00 0.00 N ATOM 421 CZ ARG A 576 -5.590 -23.228 17.428 1.00 0.00 C ATOM 422 NH1 ARG A 576 -5.418 -22.458 18.493 1.00 0.00 N ATOM 423 NH2 ARG A 576 -6.816 -23.524 17.034 1.00 0.00 N ATOM 0 H ARG A 576 1.433 -25.406 17.694 1.00 0.00 H new ATOM 0 HA ARG A 576 0.039 -25.811 15.402 1.00 0.00 H new ATOM 0 HB2 ARG A 576 -0.826 -25.132 17.725 1.00 0.00 H new ATOM 0 HB3 ARG A 576 -0.422 -23.471 17.337 1.00 0.00 H new ATOM 0 HG2 ARG A 576 -2.022 -23.652 15.337 1.00 0.00 H new ATOM 0 HG3 ARG A 576 -2.526 -25.208 15.966 1.00 0.00 H new ATOM 0 HD2 ARG A 576 -3.017 -23.931 18.193 1.00 0.00 H new ATOM 0 HD3 ARG A 576 -2.891 -22.471 17.231 1.00 0.00 H new ATOM 0 HE ARG A 576 -4.709 -24.203 15.881 1.00 0.00 H new ATOM 0 HH11 ARG A 576 -4.476 -22.219 18.803 1.00 0.00 H new ATOM 0 HH12 ARG A 576 -6.228 -22.104 19.003 1.00 0.00 H new ATOM 0 HH21 ARG A 576 -6.960 -24.112 16.213 1.00 0.00 H new ATOM 0 HH22 ARG A 576 -7.619 -23.165 17.551 1.00 0.00 H new ATOM 437 N TRP A 577 1.164 -22.682 15.363 1.00 0.00 N ATOM 438 CA TRP A 577 1.310 -21.443 14.569 1.00 0.00 C ATOM 439 C TRP A 577 2.425 -21.553 13.502 1.00 0.00 C ATOM 440 O TRP A 577 2.364 -20.879 12.467 1.00 0.00 O ATOM 441 CB TRP A 577 1.542 -20.245 15.527 1.00 0.00 C ATOM 442 CG TRP A 577 0.469 -20.140 16.594 1.00 0.00 C ATOM 443 CD1 TRP A 577 0.571 -20.499 17.915 1.00 0.00 C ATOM 444 CD2 TRP A 577 -0.879 -19.674 16.415 1.00 0.00 C ATOM 445 NE1 TRP A 577 -0.628 -20.292 18.553 1.00 0.00 N ATOM 446 CE2 TRP A 577 -1.531 -19.783 17.656 1.00 0.00 C ATOM 447 CE3 TRP A 577 -1.594 -19.180 15.323 1.00 0.00 C ATOM 448 CZ2 TRP A 577 -2.869 -19.425 17.833 1.00 0.00 C ATOM 449 CZ3 TRP A 577 -2.915 -18.814 15.499 1.00 0.00 C ATOM 450 CH2 TRP A 577 -3.540 -18.940 16.740 1.00 0.00 C ATOM 0 H TRP A 577 1.493 -22.587 16.324 1.00 0.00 H new ATOM 0 HA TRP A 577 0.387 -21.279 14.013 1.00 0.00 H new ATOM 0 HB2 TRP A 577 2.516 -20.349 16.005 1.00 0.00 H new ATOM 0 HB3 TRP A 577 1.567 -19.321 14.949 1.00 0.00 H new ATOM 0 HD1 TRP A 577 1.463 -20.887 18.384 1.00 0.00 H new ATOM 0 HE1 TRP A 577 -0.816 -20.486 19.537 1.00 0.00 H new ATOM 0 HE3 TRP A 577 -1.123 -19.085 14.356 1.00 0.00 H new ATOM 0 HZ2 TRP A 577 -3.356 -19.526 18.792 1.00 0.00 H new ATOM 0 HZ3 TRP A 577 -3.473 -18.424 14.661 1.00 0.00 H new ATOM 0 HH2 TRP A 577 -4.575 -18.649 16.842 1.00 0.00 H new ATOM 461 N LYS A 578 3.423 -22.418 13.754 1.00 0.00 N ATOM 462 CA LYS A 578 4.499 -22.725 12.775 1.00 0.00 C ATOM 463 C LYS A 578 3.930 -23.530 11.591 1.00 0.00 C ATOM 464 O LYS A 578 4.300 -23.301 10.436 1.00 0.00 O ATOM 465 CB LYS A 578 5.672 -23.514 13.438 1.00 0.00 C ATOM 466 CG LYS A 578 6.701 -22.665 14.226 1.00 0.00 C ATOM 467 CD LYS A 578 6.103 -21.912 15.435 1.00 0.00 C ATOM 468 CE LYS A 578 7.173 -21.147 16.230 1.00 0.00 C ATOM 469 NZ LYS A 578 6.607 -20.433 17.403 1.00 0.00 N ATOM 0 H LYS A 578 3.513 -22.925 14.634 1.00 0.00 H new ATOM 0 HA LYS A 578 4.894 -21.776 12.412 1.00 0.00 H new ATOM 0 HB2 LYS A 578 5.248 -24.256 14.115 1.00 0.00 H new ATOM 0 HB3 LYS A 578 6.203 -24.061 12.658 1.00 0.00 H new ATOM 0 HG2 LYS A 578 7.501 -23.317 14.577 1.00 0.00 H new ATOM 0 HG3 LYS A 578 7.154 -21.941 13.548 1.00 0.00 H new ATOM 0 HD2 LYS A 578 5.343 -21.213 15.086 1.00 0.00 H new ATOM 0 HD3 LYS A 578 5.603 -22.623 16.093 1.00 0.00 H new ATOM 0 HE2 LYS A 578 7.938 -21.845 16.568 1.00 0.00 H new ATOM 0 HE3 LYS A 578 7.665 -20.429 15.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 578 7.368 -19.933 17.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 578 5.895 -19.746 17.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 578 6.161 -21.119 18.045 1.00 0.00 H new ATOM 483 N LYS A 579 3.018 -24.464 11.899 1.00 0.00 N ATOM 484 CA LYS A 579 2.363 -25.311 10.886 1.00 0.00 C ATOM 485 C LYS A 579 1.309 -24.488 10.110 1.00 0.00 C ATOM 486 O LYS A 579 1.009 -24.776 8.946 1.00 0.00 O ATOM 487 CB LYS A 579 1.728 -26.555 11.560 1.00 0.00 C ATOM 488 CG LYS A 579 2.674 -27.328 12.508 1.00 0.00 C ATOM 489 CD LYS A 579 2.039 -28.618 13.098 1.00 0.00 C ATOM 490 CE LYS A 579 1.957 -29.763 12.070 1.00 0.00 C ATOM 491 NZ LYS A 579 3.298 -30.223 11.638 1.00 0.00 N ATOM 0 H LYS A 579 2.713 -24.655 12.854 1.00 0.00 H new ATOM 0 HA LYS A 579 3.108 -25.662 10.172 1.00 0.00 H new ATOM 0 HB2 LYS A 579 0.850 -26.238 12.123 1.00 0.00 H new ATOM 0 HB3 LYS A 579 1.379 -27.235 10.782 1.00 0.00 H new ATOM 0 HG2 LYS A 579 3.581 -27.594 11.966 1.00 0.00 H new ATOM 0 HG3 LYS A 579 2.972 -26.672 13.326 1.00 0.00 H new ATOM 0 HD2 LYS A 579 2.625 -28.947 13.956 1.00 0.00 H new ATOM 0 HD3 LYS A 579 1.038 -28.391 13.464 1.00 0.00 H new ATOM 0 HE2 LYS A 579 1.410 -30.600 12.504 1.00 0.00 H new ATOM 0 HE3 LYS A 579 1.392 -29.429 11.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 579 3.210 -31.132 11.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 579 3.717 -29.518 10.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 579 3.909 -30.342 12.471 1.00 0.00 H new ATOM 505 N ILE A 580 0.755 -23.459 10.788 1.00 0.00 N ATOM 506 CA ILE A 580 -0.172 -22.480 10.175 1.00 0.00 C ATOM 507 C ILE A 580 0.583 -21.564 9.186 1.00 0.00 C ATOM 508 O ILE A 580 0.029 -21.167 8.166 1.00 0.00 O ATOM 509 CB ILE A 580 -0.910 -21.629 11.289 1.00 0.00 C ATOM 510 CG1 ILE A 580 -1.822 -22.561 12.155 1.00 0.00 C ATOM 511 CG2 ILE A 580 -1.724 -20.450 10.694 1.00 0.00 C ATOM 512 CD1 ILE A 580 -2.598 -21.886 13.269 1.00 0.00 C ATOM 0 H ILE A 580 0.937 -23.283 11.776 1.00 0.00 H new ATOM 0 HA ILE A 580 -0.931 -23.029 9.617 1.00 0.00 H new ATOM 0 HB ILE A 580 -0.145 -21.185 11.925 1.00 0.00 H new ATOM 0 HG12 ILE A 580 -2.532 -23.057 11.494 1.00 0.00 H new ATOM 0 HG13 ILE A 580 -1.198 -23.340 12.594 1.00 0.00 H new ATOM 0 HG21 ILE A 580 -2.210 -19.900 11.500 1.00 0.00 H new ATOM 0 HG22 ILE A 580 -1.054 -19.783 10.151 1.00 0.00 H new ATOM 0 HG23 ILE A 580 -2.481 -20.838 10.012 1.00 0.00 H new ATOM 0 HD11 ILE A 580 -3.193 -22.629 13.800 1.00 0.00 H new ATOM 0 HD12 ILE A 580 -1.902 -21.415 13.963 1.00 0.00 H new ATOM 0 HD13 ILE A 580 -3.257 -21.128 12.846 1.00 0.00 H new ATOM 524 N ALA A 581 1.861 -21.257 9.495 1.00 0.00 N ATOM 525 CA ALA A 581 2.757 -20.501 8.583 1.00 0.00 C ATOM 526 C ALA A 581 2.939 -21.229 7.238 1.00 0.00 C ATOM 527 O ALA A 581 3.031 -20.598 6.178 1.00 0.00 O ATOM 528 CB ALA A 581 4.128 -20.278 9.242 1.00 0.00 C ATOM 0 H ALA A 581 2.302 -21.522 10.376 1.00 0.00 H new ATOM 0 HA ALA A 581 2.288 -19.537 8.388 1.00 0.00 H new ATOM 0 HB1 ALA A 581 4.773 -19.723 8.561 1.00 0.00 H new ATOM 0 HB2 ALA A 581 4.001 -19.711 10.164 1.00 0.00 H new ATOM 0 HB3 ALA A 581 4.584 -21.242 9.469 1.00 0.00 H new ATOM 534 N GLU A 582 2.997 -22.564 7.311 1.00 0.00 N ATOM 535 CA GLU A 582 3.149 -23.438 6.139 1.00 0.00 C ATOM 536 C GLU A 582 1.825 -23.525 5.354 1.00 0.00 C ATOM 537 O GLU A 582 1.827 -23.518 4.118 1.00 0.00 O ATOM 538 CB GLU A 582 3.618 -24.834 6.609 1.00 0.00 C ATOM 539 CG GLU A 582 4.975 -24.814 7.349 1.00 0.00 C ATOM 540 CD GLU A 582 5.333 -26.161 7.996 1.00 0.00 C ATOM 541 OE1 GLU A 582 5.772 -27.089 7.276 1.00 0.00 O ATOM 542 OE2 GLU A 582 5.159 -26.305 9.223 1.00 0.00 O ATOM 0 H GLU A 582 2.939 -23.074 8.193 1.00 0.00 H new ATOM 0 HA GLU A 582 3.899 -23.023 5.465 1.00 0.00 H new ATOM 0 HB2 GLU A 582 2.861 -25.260 7.267 1.00 0.00 H new ATOM 0 HB3 GLU A 582 3.695 -25.493 5.744 1.00 0.00 H new ATOM 0 HG2 GLU A 582 5.760 -24.536 6.646 1.00 0.00 H new ATOM 0 HG3 GLU A 582 4.950 -24.044 8.120 1.00 0.00 H new ATOM 549 N ALA A 583 0.701 -23.577 6.091 1.00 0.00 N ATOM 550 CA ALA A 583 -0.655 -23.655 5.504 1.00 0.00 C ATOM 551 C ALA A 583 -1.089 -22.305 4.880 1.00 0.00 C ATOM 552 O ALA A 583 -1.844 -22.275 3.897 1.00 0.00 O ATOM 553 CB ALA A 583 -1.663 -24.102 6.582 1.00 0.00 C ATOM 0 H ALA A 583 0.704 -23.566 7.111 1.00 0.00 H new ATOM 0 HA ALA A 583 -0.635 -24.391 4.700 1.00 0.00 H new ATOM 0 HB1 ALA A 583 -2.661 -24.158 6.146 1.00 0.00 H new ATOM 0 HB2 ALA A 583 -1.377 -25.083 6.963 1.00 0.00 H new ATOM 0 HB3 ALA A 583 -1.664 -23.381 7.400 1.00 0.00 H new ATOM 559 N VAL A 584 -0.593 -21.193 5.461 1.00 0.00 N ATOM 560 CA VAL A 584 -0.998 -19.818 5.100 1.00 0.00 C ATOM 561 C VAL A 584 0.274 -18.994 4.772 1.00 0.00 C ATOM 562 O VAL A 584 0.983 -18.561 5.691 1.00 0.00 O ATOM 563 CB VAL A 584 -1.791 -19.107 6.270 1.00 0.00 C ATOM 564 CG1 VAL A 584 -2.459 -17.805 5.781 1.00 0.00 C ATOM 565 CG2 VAL A 584 -2.829 -20.048 6.915 1.00 0.00 C ATOM 0 H VAL A 584 0.107 -21.225 6.202 1.00 0.00 H new ATOM 0 HA VAL A 584 -1.661 -19.875 4.237 1.00 0.00 H new ATOM 0 HB VAL A 584 -1.063 -18.847 7.038 1.00 0.00 H new ATOM 0 HG11 VAL A 584 -2.996 -17.339 6.607 1.00 0.00 H new ATOM 0 HG12 VAL A 584 -1.695 -17.120 5.413 1.00 0.00 H new ATOM 0 HG13 VAL A 584 -3.158 -18.035 4.977 1.00 0.00 H new ATOM 0 HG21 VAL A 584 -3.351 -19.521 7.713 1.00 0.00 H new ATOM 0 HG22 VAL A 584 -3.548 -20.368 6.161 1.00 0.00 H new ATOM 0 HG23 VAL A 584 -2.322 -20.921 7.327 1.00 0.00 H new ATOM 575 N PRO A 585 0.613 -18.816 3.455 1.00 0.00 N ATOM 576 CA PRO A 585 1.822 -18.067 3.021 1.00 0.00 C ATOM 577 C PRO A 585 1.731 -16.553 3.297 1.00 0.00 C ATOM 578 O PRO A 585 0.653 -15.961 3.179 1.00 0.00 O ATOM 579 CB PRO A 585 1.907 -18.348 1.484 1.00 0.00 C ATOM 580 CG PRO A 585 0.945 -19.478 1.241 1.00 0.00 C ATOM 581 CD PRO A 585 -0.137 -19.325 2.282 1.00 0.00 C ATOM 0 HA PRO A 585 2.705 -18.390 3.573 1.00 0.00 H new ATOM 0 HB2 PRO A 585 1.633 -17.465 0.906 1.00 0.00 H new ATOM 0 HB3 PRO A 585 2.920 -18.621 1.188 1.00 0.00 H new ATOM 0 HG2 PRO A 585 0.530 -19.429 0.234 1.00 0.00 H new ATOM 0 HG3 PRO A 585 1.443 -20.443 1.333 1.00 0.00 H new ATOM 0 HD2 PRO A 585 -0.911 -18.628 1.962 1.00 0.00 H new ATOM 0 HD3 PRO A 585 -0.630 -20.273 2.496 1.00 0.00 H new ATOM 589 N GLY A 586 2.872 -15.953 3.708 1.00 0.00 N ATOM 590 CA GLY A 586 3.038 -14.489 3.788 1.00 0.00 C ATOM 591 C GLY A 586 2.506 -13.851 5.071 1.00 0.00 C ATOM 592 O GLY A 586 3.099 -12.892 5.591 1.00 0.00 O ATOM 0 H GLY A 586 3.702 -16.473 3.993 1.00 0.00 H new ATOM 0 HA2 GLY A 586 4.098 -14.252 3.694 1.00 0.00 H new ATOM 0 HA3 GLY A 586 2.533 -14.033 2.936 1.00 0.00 H new ATOM 596 N ARG A 587 1.380 -14.373 5.579 1.00 0.00 N ATOM 597 CA ARG A 587 0.692 -13.825 6.759 1.00 0.00 C ATOM 598 C ARG A 587 1.471 -14.180 8.035 1.00 0.00 C ATOM 599 O ARG A 587 1.875 -15.338 8.207 1.00 0.00 O ATOM 600 CB ARG A 587 -0.751 -14.387 6.825 1.00 0.00 C ATOM 601 CG ARG A 587 -1.580 -14.178 5.538 1.00 0.00 C ATOM 602 CD ARG A 587 -1.804 -12.699 5.197 1.00 0.00 C ATOM 603 NE ARG A 587 -2.477 -12.535 3.903 1.00 0.00 N ATOM 604 CZ ARG A 587 -2.586 -11.385 3.224 1.00 0.00 C ATOM 605 NH1 ARG A 587 -2.044 -10.264 3.689 1.00 0.00 N ATOM 606 NH2 ARG A 587 -3.218 -11.378 2.068 1.00 0.00 N ATOM 0 H ARG A 587 0.918 -15.191 5.182 1.00 0.00 H new ATOM 0 HA ARG A 587 0.643 -12.739 6.679 1.00 0.00 H new ATOM 0 HB2 ARG A 587 -0.702 -15.454 7.041 1.00 0.00 H new ATOM 0 HB3 ARG A 587 -1.273 -13.917 7.658 1.00 0.00 H new ATOM 0 HG2 ARG A 587 -1.073 -14.664 4.704 1.00 0.00 H new ATOM 0 HG3 ARG A 587 -2.547 -14.668 5.653 1.00 0.00 H new ATOM 0 HD2 ARG A 587 -2.402 -12.232 5.980 1.00 0.00 H new ATOM 0 HD3 ARG A 587 -0.845 -12.181 5.176 1.00 0.00 H new ATOM 0 HE ARG A 587 -2.897 -13.366 3.486 1.00 0.00 H new ATOM 0 HH11 ARG A 587 -1.537 -10.272 4.574 1.00 0.00 H new ATOM 0 HH12 ARG A 587 -2.135 -9.396 3.161 1.00 0.00 H new ATOM 0 HH21 ARG A 587 -3.617 -12.241 1.700 1.00 0.00 H new ATOM 0 HH22 ARG A 587 -3.308 -10.509 1.541 1.00 0.00 H new ATOM 620 N THR A 588 1.685 -13.184 8.918 1.00 0.00 N ATOM 621 CA THR A 588 2.455 -13.378 10.155 1.00 0.00 C ATOM 622 C THR A 588 1.565 -13.982 11.254 1.00 0.00 C ATOM 623 O THR A 588 0.338 -13.812 11.246 1.00 0.00 O ATOM 624 CB THR A 588 3.110 -12.046 10.650 1.00 0.00 C ATOM 625 OG1 THR A 588 2.096 -11.087 10.947 1.00 0.00 O ATOM 626 CG2 THR A 588 4.082 -11.446 9.614 1.00 0.00 C ATOM 0 H THR A 588 1.332 -12.235 8.793 1.00 0.00 H new ATOM 0 HA THR A 588 3.263 -14.075 9.931 1.00 0.00 H new ATOM 0 HB THR A 588 3.683 -12.287 11.546 1.00 0.00 H new ATOM 0 HG1 THR A 588 1.491 -11.003 10.181 1.00 0.00 H new ATOM 0 HG21 THR A 588 4.509 -10.523 10.007 1.00 0.00 H new ATOM 0 HG22 THR A 588 4.882 -12.158 9.411 1.00 0.00 H new ATOM 0 HG23 THR A 588 3.543 -11.232 8.691 1.00 0.00 H new ATOM 634 N LYS A 589 2.207 -14.693 12.192 1.00 0.00 N ATOM 635 CA LYS A 589 1.517 -15.491 13.221 1.00 0.00 C ATOM 636 C LYS A 589 0.762 -14.590 14.211 1.00 0.00 C ATOM 637 O LYS A 589 -0.222 -15.023 14.797 1.00 0.00 O ATOM 638 CB LYS A 589 2.512 -16.423 13.971 1.00 0.00 C ATOM 639 CG LYS A 589 3.020 -17.679 13.190 1.00 0.00 C ATOM 640 CD LYS A 589 3.872 -17.376 11.919 1.00 0.00 C ATOM 641 CE LYS A 589 3.043 -17.245 10.617 1.00 0.00 C ATOM 642 NZ LYS A 589 3.886 -16.854 9.455 1.00 0.00 N ATOM 0 H LYS A 589 3.224 -14.732 12.260 1.00 0.00 H new ATOM 0 HA LYS A 589 0.785 -16.119 12.713 1.00 0.00 H new ATOM 0 HB2 LYS A 589 3.379 -15.831 14.264 1.00 0.00 H new ATOM 0 HB3 LYS A 589 2.034 -16.763 14.889 1.00 0.00 H new ATOM 0 HG2 LYS A 589 3.614 -18.292 13.868 1.00 0.00 H new ATOM 0 HG3 LYS A 589 2.157 -18.276 12.895 1.00 0.00 H new ATOM 0 HD2 LYS A 589 4.426 -16.451 12.078 1.00 0.00 H new ATOM 0 HD3 LYS A 589 4.607 -18.170 11.790 1.00 0.00 H new ATOM 0 HE2 LYS A 589 2.550 -18.194 10.404 1.00 0.00 H new ATOM 0 HE3 LYS A 589 2.258 -16.503 10.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 589 3.359 -16.192 8.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 589 4.755 -16.395 9.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 589 4.135 -17.701 8.906 1.00 0.00 H new ATOM 656 N LYS A 590 1.227 -13.332 14.371 1.00 0.00 N ATOM 657 CA LYS A 590 0.523 -12.318 15.182 1.00 0.00 C ATOM 658 C LYS A 590 -0.861 -11.984 14.568 1.00 0.00 C ATOM 659 O LYS A 590 -1.823 -11.756 15.305 1.00 0.00 O ATOM 660 CB LYS A 590 1.377 -11.026 15.336 1.00 0.00 C ATOM 661 CG LYS A 590 1.775 -10.358 14.002 1.00 0.00 C ATOM 662 CD LYS A 590 2.467 -8.989 14.185 1.00 0.00 C ATOM 663 CE LYS A 590 2.903 -8.371 12.842 1.00 0.00 C ATOM 664 NZ LYS A 590 1.779 -8.242 11.866 1.00 0.00 N ATOM 0 H LYS A 590 2.091 -12.995 13.947 1.00 0.00 H new ATOM 0 HA LYS A 590 0.367 -12.739 16.175 1.00 0.00 H new ATOM 0 HB2 LYS A 590 0.819 -10.307 15.936 1.00 0.00 H new ATOM 0 HB3 LYS A 590 2.283 -11.269 15.891 1.00 0.00 H new ATOM 0 HG2 LYS A 590 2.442 -11.024 13.455 1.00 0.00 H new ATOM 0 HG3 LYS A 590 0.883 -10.227 13.389 1.00 0.00 H new ATOM 0 HD2 LYS A 590 1.787 -8.306 14.693 1.00 0.00 H new ATOM 0 HD3 LYS A 590 3.339 -9.108 14.828 1.00 0.00 H new ATOM 0 HE2 LYS A 590 3.333 -7.386 13.024 1.00 0.00 H new ATOM 0 HE3 LYS A 590 3.689 -8.986 12.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 590 2.027 -7.538 11.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 590 1.607 -9.161 11.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 590 0.919 -7.936 12.365 1.00 0.00 H new ATOM 678 N ASP A 591 -0.941 -11.963 13.215 1.00 0.00 N ATOM 679 CA ASP A 591 -2.212 -11.744 12.480 1.00 0.00 C ATOM 680 C ASP A 591 -3.104 -12.991 12.558 1.00 0.00 C ATOM 681 O ASP A 591 -4.338 -12.885 12.547 1.00 0.00 O ATOM 682 CB ASP A 591 -1.953 -11.373 10.994 1.00 0.00 C ATOM 683 CG ASP A 591 -1.415 -9.948 10.808 1.00 0.00 C ATOM 684 OD1 ASP A 591 -2.172 -8.993 11.046 1.00 0.00 O ATOM 685 OD2 ASP A 591 -0.245 -9.776 10.413 1.00 0.00 O ATOM 0 H ASP A 591 -0.133 -12.096 12.606 1.00 0.00 H new ATOM 0 HA ASP A 591 -2.724 -10.908 12.956 1.00 0.00 H new ATOM 0 HB2 ASP A 591 -1.241 -12.081 10.569 1.00 0.00 H new ATOM 0 HB3 ASP A 591 -2.882 -11.479 10.433 1.00 0.00 H new ATOM 690 N CYS A 592 -2.458 -14.165 12.606 1.00 0.00 N ATOM 691 CA CYS A 592 -3.139 -15.461 12.778 1.00 0.00 C ATOM 692 C CYS A 592 -3.805 -15.553 14.172 1.00 0.00 C ATOM 693 O CYS A 592 -4.933 -16.041 14.305 1.00 0.00 O ATOM 694 CB CYS A 592 -2.119 -16.607 12.585 1.00 0.00 C ATOM 695 SG CYS A 592 -1.284 -16.577 10.983 1.00 0.00 S ATOM 0 H CYS A 592 -1.444 -14.245 12.526 1.00 0.00 H new ATOM 0 HA CYS A 592 -3.925 -15.550 12.028 1.00 0.00 H new ATOM 0 HB2 CYS A 592 -1.371 -16.552 13.376 1.00 0.00 H new ATOM 0 HB3 CYS A 592 -2.633 -17.561 12.699 1.00 0.00 H new ATOM 0 HG CYS A 592 -0.558 -15.502 10.892 1.00 0.00 H new ATOM 701 N MET A 593 -3.081 -15.054 15.193 1.00 0.00 N ATOM 702 CA MET A 593 -3.543 -15.025 16.605 1.00 0.00 C ATOM 703 C MET A 593 -4.603 -13.934 16.805 1.00 0.00 C ATOM 704 O MET A 593 -5.508 -14.090 17.619 1.00 0.00 O ATOM 705 CB MET A 593 -2.344 -14.756 17.555 1.00 0.00 C ATOM 706 CG MET A 593 -1.271 -15.849 17.581 1.00 0.00 C ATOM 707 SD MET A 593 0.187 -15.352 18.534 1.00 0.00 S ATOM 708 CE MET A 593 1.423 -16.504 17.927 1.00 0.00 C ATOM 0 H MET A 593 -2.151 -14.655 15.066 1.00 0.00 H new ATOM 0 HA MET A 593 -3.983 -15.995 16.839 1.00 0.00 H new ATOM 0 HB2 MET A 593 -1.875 -13.816 17.264 1.00 0.00 H new ATOM 0 HB3 MET A 593 -2.727 -14.621 18.567 1.00 0.00 H new ATOM 0 HG2 MET A 593 -1.691 -16.758 18.010 1.00 0.00 H new ATOM 0 HG3 MET A 593 -0.972 -16.087 16.560 1.00 0.00 H new ATOM 0 HE1 MET A 593 2.110 -16.759 18.734 1.00 0.00 H new ATOM 0 HE2 MET A 593 0.932 -17.409 17.568 1.00 0.00 H new ATOM 0 HE3 MET A 593 1.979 -16.044 17.110 1.00 0.00 H new ATOM 718 N LYS A 594 -4.429 -12.823 16.078 1.00 0.00 N ATOM 719 CA LYS A 594 -5.388 -11.694 16.027 1.00 0.00 C ATOM 720 C LYS A 594 -6.766 -12.180 15.553 1.00 0.00 C ATOM 721 O LYS A 594 -7.783 -11.951 16.214 1.00 0.00 O ATOM 722 CB LYS A 594 -4.859 -10.606 15.047 1.00 0.00 C ATOM 723 CG LYS A 594 -5.824 -9.421 14.782 1.00 0.00 C ATOM 724 CD LYS A 594 -5.356 -8.519 13.612 1.00 0.00 C ATOM 725 CE LYS A 594 -3.969 -7.900 13.852 1.00 0.00 C ATOM 726 NZ LYS A 594 -3.512 -7.092 12.692 1.00 0.00 N ATOM 0 H LYS A 594 -3.605 -12.673 15.495 1.00 0.00 H new ATOM 0 HA LYS A 594 -5.487 -11.274 17.028 1.00 0.00 H new ATOM 0 HB2 LYS A 594 -3.924 -10.209 15.442 1.00 0.00 H new ATOM 0 HB3 LYS A 594 -4.626 -11.082 14.095 1.00 0.00 H new ATOM 0 HG2 LYS A 594 -6.818 -9.810 14.561 1.00 0.00 H new ATOM 0 HG3 LYS A 594 -5.911 -8.819 15.687 1.00 0.00 H new ATOM 0 HD2 LYS A 594 -5.332 -9.106 12.694 1.00 0.00 H new ATOM 0 HD3 LYS A 594 -6.083 -7.721 13.461 1.00 0.00 H new ATOM 0 HE2 LYS A 594 -4.002 -7.271 14.742 1.00 0.00 H new ATOM 0 HE3 LYS A 594 -3.247 -8.693 14.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 594 -2.869 -6.344 13.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 594 -3.013 -7.705 12.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 594 -4.334 -6.660 12.224 1.00 0.00 H new ATOM 740 N ARG A 595 -6.764 -12.857 14.392 1.00 0.00 N ATOM 741 CA ARG A 595 -7.977 -13.422 13.788 1.00 0.00 C ATOM 742 C ARG A 595 -8.589 -14.491 14.711 1.00 0.00 C ATOM 743 O ARG A 595 -9.796 -14.506 14.909 1.00 0.00 O ATOM 744 CB ARG A 595 -7.661 -14.016 12.388 1.00 0.00 C ATOM 745 CG ARG A 595 -8.823 -14.777 11.712 1.00 0.00 C ATOM 746 CD ARG A 595 -10.065 -13.918 11.415 1.00 0.00 C ATOM 747 NE ARG A 595 -11.146 -14.738 10.816 1.00 0.00 N ATOM 748 CZ ARG A 595 -12.253 -14.268 10.217 1.00 0.00 C ATOM 749 NH1 ARG A 595 -12.434 -12.966 10.033 1.00 0.00 N ATOM 750 NH2 ARG A 595 -13.167 -15.120 9.767 1.00 0.00 N ATOM 0 H ARG A 595 -5.919 -13.027 13.847 1.00 0.00 H new ATOM 0 HA ARG A 595 -8.707 -12.623 13.661 1.00 0.00 H new ATOM 0 HB2 ARG A 595 -7.349 -13.205 11.730 1.00 0.00 H new ATOM 0 HB3 ARG A 595 -6.812 -14.693 12.483 1.00 0.00 H new ATOM 0 HG2 ARG A 595 -8.463 -15.207 10.777 1.00 0.00 H new ATOM 0 HG3 ARG A 595 -9.117 -15.608 12.353 1.00 0.00 H new ATOM 0 HD2 ARG A 595 -10.421 -13.456 12.336 1.00 0.00 H new ATOM 0 HD3 ARG A 595 -9.798 -13.109 10.735 1.00 0.00 H new ATOM 0 HE ARG A 595 -11.039 -15.751 10.863 1.00 0.00 H new ATOM 0 HH11 ARG A 595 -11.726 -12.303 10.348 1.00 0.00 H new ATOM 0 HH12 ARG A 595 -13.281 -12.628 9.576 1.00 0.00 H new ATOM 0 HH21 ARG A 595 -13.026 -16.124 9.877 1.00 0.00 H new ATOM 0 HH22 ARG A 595 -14.010 -14.770 9.311 1.00 0.00 H new ATOM 764 N TYR A 596 -7.741 -15.358 15.291 1.00 0.00 N ATOM 765 CA TYR A 596 -8.189 -16.436 16.207 1.00 0.00 C ATOM 766 C TYR A 596 -8.775 -15.858 17.511 1.00 0.00 C ATOM 767 O TYR A 596 -9.700 -16.439 18.080 1.00 0.00 O ATOM 768 CB TYR A 596 -7.029 -17.415 16.502 1.00 0.00 C ATOM 769 CG TYR A 596 -7.375 -18.561 17.472 1.00 0.00 C ATOM 770 CD1 TYR A 596 -8.395 -19.472 17.180 1.00 0.00 C ATOM 771 CD2 TYR A 596 -6.684 -18.733 18.680 1.00 0.00 C ATOM 772 CE1 TYR A 596 -8.710 -20.503 18.044 1.00 0.00 C ATOM 773 CE2 TYR A 596 -6.997 -19.769 19.542 1.00 0.00 C ATOM 774 CZ TYR A 596 -8.010 -20.650 19.218 1.00 0.00 C ATOM 775 OH TYR A 596 -8.310 -21.693 20.068 1.00 0.00 O ATOM 0 H TYR A 596 -6.732 -15.337 15.143 1.00 0.00 H new ATOM 0 HA TYR A 596 -8.985 -16.991 15.710 1.00 0.00 H new ATOM 0 HB2 TYR A 596 -6.689 -17.846 15.560 1.00 0.00 H new ATOM 0 HB3 TYR A 596 -6.193 -16.850 16.914 1.00 0.00 H new ATOM 0 HD1 TYR A 596 -8.949 -19.367 16.259 1.00 0.00 H new ATOM 0 HD2 TYR A 596 -5.894 -18.045 18.942 1.00 0.00 H new ATOM 0 HE1 TYR A 596 -9.504 -21.192 17.798 1.00 0.00 H new ATOM 0 HE2 TYR A 596 -6.451 -19.888 20.466 1.00 0.00 H new ATOM 0 HH TYR A 596 -7.723 -21.655 20.852 1.00 0.00 H new ATOM 785 N LYS A 597 -8.240 -14.704 17.949 1.00 0.00 N ATOM 786 CA LYS A 597 -8.767 -13.935 19.106 1.00 0.00 C ATOM 787 C LYS A 597 -10.209 -13.501 18.818 1.00 0.00 C ATOM 788 O LYS A 597 -11.107 -13.665 19.658 1.00 0.00 O ATOM 789 CB LYS A 597 -7.864 -12.689 19.381 1.00 0.00 C ATOM 790 CG LYS A 597 -8.489 -11.602 20.297 1.00 0.00 C ATOM 791 CD LYS A 597 -7.579 -10.362 20.488 1.00 0.00 C ATOM 792 CE LYS A 597 -6.294 -10.677 21.272 1.00 0.00 C ATOM 793 NZ LYS A 597 -6.589 -11.184 22.642 1.00 0.00 N ATOM 0 H LYS A 597 -7.426 -14.271 17.513 1.00 0.00 H new ATOM 0 HA LYS A 597 -8.758 -14.567 19.994 1.00 0.00 H new ATOM 0 HB2 LYS A 597 -6.933 -13.029 19.833 1.00 0.00 H new ATOM 0 HB3 LYS A 597 -7.606 -12.231 18.426 1.00 0.00 H new ATOM 0 HG2 LYS A 597 -9.441 -11.283 19.873 1.00 0.00 H new ATOM 0 HG3 LYS A 597 -8.705 -12.039 21.272 1.00 0.00 H new ATOM 0 HD2 LYS A 597 -7.313 -9.959 19.511 1.00 0.00 H new ATOM 0 HD3 LYS A 597 -8.137 -9.586 21.012 1.00 0.00 H new ATOM 0 HE2 LYS A 597 -5.710 -11.419 20.728 1.00 0.00 H new ATOM 0 HE3 LYS A 597 -5.682 -9.778 21.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 597 -5.709 -11.224 23.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 597 -7.263 -10.546 23.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 597 -7.001 -12.137 22.578 1.00 0.00 H new ATOM 807 N GLU A 598 -10.407 -12.980 17.593 1.00 0.00 N ATOM 808 CA GLU A 598 -11.725 -12.582 17.102 1.00 0.00 C ATOM 809 C GLU A 598 -12.657 -13.795 17.061 1.00 0.00 C ATOM 810 O GLU A 598 -13.726 -13.744 17.619 1.00 0.00 O ATOM 811 CB GLU A 598 -11.623 -11.937 15.696 1.00 0.00 C ATOM 812 CG GLU A 598 -10.726 -10.688 15.634 1.00 0.00 C ATOM 813 CD GLU A 598 -11.119 -9.608 16.656 1.00 0.00 C ATOM 814 OE1 GLU A 598 -12.119 -8.898 16.418 1.00 0.00 O ATOM 815 OE2 GLU A 598 -10.427 -9.456 17.691 1.00 0.00 O ATOM 0 H GLU A 598 -9.654 -12.826 16.922 1.00 0.00 H new ATOM 0 HA GLU A 598 -12.135 -11.839 17.786 1.00 0.00 H new ATOM 0 HB2 GLU A 598 -11.240 -12.680 14.996 1.00 0.00 H new ATOM 0 HB3 GLU A 598 -12.624 -11.668 15.360 1.00 0.00 H new ATOM 0 HG2 GLU A 598 -9.691 -10.983 15.807 1.00 0.00 H new ATOM 0 HG3 GLU A 598 -10.773 -10.264 14.631 1.00 0.00 H new ATOM 822 N LEU A 599 -12.187 -14.900 16.462 1.00 0.00 N ATOM 823 CA LEU A 599 -12.998 -16.115 16.207 1.00 0.00 C ATOM 824 C LEU A 599 -13.544 -16.736 17.502 1.00 0.00 C ATOM 825 O LEU A 599 -14.760 -16.931 17.634 1.00 0.00 O ATOM 826 CB LEU A 599 -12.160 -17.151 15.411 1.00 0.00 C ATOM 827 CG LEU A 599 -11.800 -16.722 13.956 1.00 0.00 C ATOM 828 CD1 LEU A 599 -10.793 -17.688 13.302 1.00 0.00 C ATOM 829 CD2 LEU A 599 -13.069 -16.563 13.094 1.00 0.00 C ATOM 0 H LEU A 599 -11.224 -14.983 16.135 1.00 0.00 H new ATOM 0 HA LEU A 599 -13.862 -15.817 15.614 1.00 0.00 H new ATOM 0 HB2 LEU A 599 -11.237 -17.346 15.956 1.00 0.00 H new ATOM 0 HB3 LEU A 599 -12.712 -18.090 15.372 1.00 0.00 H new ATOM 0 HG LEU A 599 -11.313 -15.749 14.017 1.00 0.00 H new ATOM 0 HD11 LEU A 599 -10.571 -17.351 12.290 1.00 0.00 H new ATOM 0 HD12 LEU A 599 -9.874 -17.707 13.888 1.00 0.00 H new ATOM 0 HD13 LEU A 599 -11.221 -18.690 13.265 1.00 0.00 H new ATOM 0 HD21 LEU A 599 -12.788 -16.263 12.084 1.00 0.00 H new ATOM 0 HD22 LEU A 599 -13.604 -17.512 13.055 1.00 0.00 H new ATOM 0 HD23 LEU A 599 -13.714 -15.801 13.532 1.00 0.00 H new ATOM 841 N VAL A 600 -12.642 -17.003 18.462 1.00 0.00 N ATOM 842 CA VAL A 600 -13.005 -17.648 19.732 1.00 0.00 C ATOM 843 C VAL A 600 -13.984 -16.760 20.540 1.00 0.00 C ATOM 844 O VAL A 600 -15.020 -17.241 21.014 1.00 0.00 O ATOM 845 CB VAL A 600 -11.724 -18.035 20.586 1.00 0.00 C ATOM 846 CG1 VAL A 600 -10.882 -16.798 21.005 1.00 0.00 C ATOM 847 CG2 VAL A 600 -12.109 -18.886 21.822 1.00 0.00 C ATOM 0 H VAL A 600 -11.650 -16.780 18.380 1.00 0.00 H new ATOM 0 HA VAL A 600 -13.517 -18.580 19.495 1.00 0.00 H new ATOM 0 HB VAL A 600 -11.092 -18.639 19.935 1.00 0.00 H new ATOM 0 HG11 VAL A 600 -10.020 -17.125 21.586 1.00 0.00 H new ATOM 0 HG12 VAL A 600 -10.540 -16.272 20.114 1.00 0.00 H new ATOM 0 HG13 VAL A 600 -11.494 -16.129 21.609 1.00 0.00 H new ATOM 0 HG21 VAL A 600 -11.210 -19.135 22.386 1.00 0.00 H new ATOM 0 HG22 VAL A 600 -12.790 -18.319 22.456 1.00 0.00 H new ATOM 0 HG23 VAL A 600 -12.597 -19.804 21.494 1.00 0.00 H new ATOM 857 N GLU A 601 -13.684 -15.442 20.603 1.00 0.00 N ATOM 858 CA GLU A 601 -14.436 -14.493 21.441 1.00 0.00 C ATOM 859 C GLU A 601 -15.729 -14.001 20.771 1.00 0.00 C ATOM 860 O GLU A 601 -16.666 -13.639 21.477 1.00 0.00 O ATOM 861 CB GLU A 601 -13.546 -13.306 21.889 1.00 0.00 C ATOM 862 CG GLU A 601 -12.425 -13.717 22.867 1.00 0.00 C ATOM 863 CD GLU A 601 -11.649 -12.517 23.438 1.00 0.00 C ATOM 864 OE1 GLU A 601 -12.102 -11.920 24.444 1.00 0.00 O ATOM 865 OE2 GLU A 601 -10.588 -12.159 22.885 1.00 0.00 O ATOM 0 H GLU A 601 -12.921 -15.015 20.078 1.00 0.00 H new ATOM 0 HA GLU A 601 -14.739 -15.043 22.332 1.00 0.00 H new ATOM 0 HB2 GLU A 601 -13.099 -12.844 21.009 1.00 0.00 H new ATOM 0 HB3 GLU A 601 -14.172 -12.550 22.363 1.00 0.00 H new ATOM 0 HG2 GLU A 601 -12.859 -14.285 23.690 1.00 0.00 H new ATOM 0 HG3 GLU A 601 -11.729 -14.381 22.354 1.00 0.00 H new ATOM 872 N MET A 602 -15.807 -14.016 19.423 1.00 0.00 N ATOM 873 CA MET A 602 -17.023 -13.566 18.706 1.00 0.00 C ATOM 874 C MET A 602 -18.109 -14.633 18.826 1.00 0.00 C ATOM 875 O MET A 602 -19.275 -14.313 19.046 1.00 0.00 O ATOM 876 CB MET A 602 -16.780 -13.211 17.196 1.00 0.00 C ATOM 877 CG MET A 602 -16.430 -14.381 16.264 1.00 0.00 C ATOM 878 SD MET A 602 -16.404 -13.930 14.507 1.00 0.00 S ATOM 879 CE MET A 602 -15.176 -12.626 14.449 1.00 0.00 C ATOM 0 H MET A 602 -15.052 -14.331 18.814 1.00 0.00 H new ATOM 0 HA MET A 602 -17.339 -12.638 19.183 1.00 0.00 H new ATOM 0 HB2 MET A 602 -17.677 -12.725 16.811 1.00 0.00 H new ATOM 0 HB3 MET A 602 -15.973 -12.480 17.143 1.00 0.00 H new ATOM 0 HG2 MET A 602 -15.453 -14.777 16.543 1.00 0.00 H new ATOM 0 HG3 MET A 602 -17.153 -15.182 16.414 1.00 0.00 H new ATOM 0 HE1 MET A 602 -15.033 -12.306 13.417 1.00 0.00 H new ATOM 0 HE2 MET A 602 -15.515 -11.780 15.047 1.00 0.00 H new ATOM 0 HE3 MET A 602 -14.232 -12.997 14.848 1.00 0.00 H new ATOM 889 N VAL A 603 -17.699 -15.907 18.712 1.00 0.00 N ATOM 890 CA VAL A 603 -18.621 -17.043 18.787 1.00 0.00 C ATOM 891 C VAL A 603 -19.189 -17.175 20.202 1.00 0.00 C ATOM 892 O VAL A 603 -20.395 -17.249 20.348 1.00 0.00 O ATOM 893 CB VAL A 603 -17.938 -18.382 18.319 1.00 0.00 C ATOM 894 CG1 VAL A 603 -18.859 -19.614 18.535 1.00 0.00 C ATOM 895 CG2 VAL A 603 -17.517 -18.272 16.837 1.00 0.00 C ATOM 0 H VAL A 603 -16.725 -16.173 18.566 1.00 0.00 H new ATOM 0 HA VAL A 603 -19.446 -16.851 18.101 1.00 0.00 H new ATOM 0 HB VAL A 603 -17.051 -18.533 18.934 1.00 0.00 H new ATOM 0 HG11 VAL A 603 -18.346 -20.515 18.198 1.00 0.00 H new ATOM 0 HG12 VAL A 603 -19.099 -19.708 19.594 1.00 0.00 H new ATOM 0 HG13 VAL A 603 -19.779 -19.485 17.965 1.00 0.00 H new ATOM 0 HG21 VAL A 603 -17.046 -19.203 16.523 1.00 0.00 H new ATOM 0 HG22 VAL A 603 -18.397 -18.085 16.222 1.00 0.00 H new ATOM 0 HG23 VAL A 603 -16.811 -17.450 16.719 1.00 0.00 H new ATOM 905 N LYS A 604 -18.318 -17.135 21.240 1.00 0.00 N ATOM 906 CA LYS A 604 -18.755 -17.293 22.650 1.00 0.00 C ATOM 907 C LYS A 604 -19.563 -16.073 23.158 1.00 0.00 C ATOM 908 O LYS A 604 -20.466 -16.232 23.994 1.00 0.00 O ATOM 909 CB LYS A 604 -17.547 -17.594 23.579 1.00 0.00 C ATOM 910 CG LYS A 604 -16.522 -16.456 23.722 1.00 0.00 C ATOM 911 CD LYS A 604 -15.267 -16.866 24.542 1.00 0.00 C ATOM 912 CE LYS A 604 -15.591 -17.197 26.009 1.00 0.00 C ATOM 913 NZ LYS A 604 -16.162 -16.025 26.720 1.00 0.00 N ATOM 0 H LYS A 604 -17.314 -16.995 21.129 1.00 0.00 H new ATOM 0 HA LYS A 604 -19.428 -18.150 22.679 1.00 0.00 H new ATOM 0 HB2 LYS A 604 -17.926 -17.844 24.570 1.00 0.00 H new ATOM 0 HB3 LYS A 604 -17.032 -18.478 23.202 1.00 0.00 H new ATOM 0 HG2 LYS A 604 -16.210 -16.129 22.730 1.00 0.00 H new ATOM 0 HG3 LYS A 604 -17.000 -15.603 24.203 1.00 0.00 H new ATOM 0 HD2 LYS A 604 -14.801 -17.733 24.074 1.00 0.00 H new ATOM 0 HD3 LYS A 604 -14.538 -16.056 24.510 1.00 0.00 H new ATOM 0 HE2 LYS A 604 -16.297 -18.027 26.048 1.00 0.00 H new ATOM 0 HE3 LYS A 604 -14.685 -17.526 26.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 604 -16.211 -16.227 27.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 604 -15.558 -15.194 26.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 604 -17.118 -15.832 26.359 1.00 0.00 H new ATOM 927 N ALA A 605 -19.246 -14.865 22.637 1.00 0.00 N ATOM 928 CA ALA A 605 -20.004 -13.636 22.960 1.00 0.00 C ATOM 929 C ALA A 605 -21.425 -13.731 22.383 1.00 0.00 C ATOM 930 O ALA A 605 -22.417 -13.531 23.092 1.00 0.00 O ATOM 931 CB ALA A 605 -19.283 -12.386 22.437 1.00 0.00 C ATOM 0 H ALA A 605 -18.470 -14.716 21.991 1.00 0.00 H new ATOM 0 HA ALA A 605 -20.070 -13.545 24.044 1.00 0.00 H new ATOM 0 HB1 ALA A 605 -19.864 -11.499 22.689 1.00 0.00 H new ATOM 0 HB2 ALA A 605 -18.297 -12.316 22.895 1.00 0.00 H new ATOM 0 HB3 ALA A 605 -19.176 -12.454 21.354 1.00 0.00 H new ATOM 937 N LYS A 606 -21.501 -14.083 21.086 1.00 0.00 N ATOM 938 CA LYS A 606 -22.780 -14.288 20.390 1.00 0.00 C ATOM 939 C LYS A 606 -23.489 -15.555 20.904 1.00 0.00 C ATOM 940 O LYS A 606 -24.699 -15.635 20.823 1.00 0.00 O ATOM 941 CB LYS A 606 -22.582 -14.355 18.846 1.00 0.00 C ATOM 942 CG LYS A 606 -22.108 -13.024 18.204 1.00 0.00 C ATOM 943 CD LYS A 606 -21.962 -13.108 16.661 1.00 0.00 C ATOM 944 CE LYS A 606 -20.913 -14.141 16.206 1.00 0.00 C ATOM 945 NZ LYS A 606 -20.855 -14.267 14.727 1.00 0.00 N ATOM 0 H LYS A 606 -20.682 -14.232 20.496 1.00 0.00 H new ATOM 0 HA LYS A 606 -23.415 -13.429 20.608 1.00 0.00 H new ATOM 0 HB2 LYS A 606 -21.854 -15.134 18.618 1.00 0.00 H new ATOM 0 HB3 LYS A 606 -23.523 -14.653 18.383 1.00 0.00 H new ATOM 0 HG2 LYS A 606 -22.818 -12.235 18.453 1.00 0.00 H new ATOM 0 HG3 LYS A 606 -21.150 -12.740 18.638 1.00 0.00 H new ATOM 0 HD2 LYS A 606 -22.927 -13.364 16.225 1.00 0.00 H new ATOM 0 HD3 LYS A 606 -21.687 -12.127 16.274 1.00 0.00 H new ATOM 0 HE2 LYS A 606 -19.932 -13.851 16.583 1.00 0.00 H new ATOM 0 HE3 LYS A 606 -21.148 -15.112 16.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 606 -20.136 -14.972 14.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 606 -21.783 -14.569 14.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 606 -20.605 -13.348 14.310 1.00 0.00 H new ATOM 959 N LYS A 607 -22.728 -16.516 21.465 1.00 0.00 N ATOM 960 CA LYS A 607 -23.283 -17.794 21.976 1.00 0.00 C ATOM 961 C LYS A 607 -24.111 -17.522 23.226 1.00 0.00 C ATOM 962 O LYS A 607 -25.202 -18.061 23.388 1.00 0.00 O ATOM 963 CB LYS A 607 -22.161 -18.827 22.298 1.00 0.00 C ATOM 964 CG LYS A 607 -22.614 -20.314 22.443 1.00 0.00 C ATOM 965 CD LYS A 607 -22.711 -21.079 21.080 1.00 0.00 C ATOM 966 CE LYS A 607 -23.925 -20.687 20.208 1.00 0.00 C ATOM 967 NZ LYS A 607 -23.861 -21.295 18.857 1.00 0.00 N ATOM 0 H LYS A 607 -21.718 -16.433 21.578 1.00 0.00 H new ATOM 0 HA LYS A 607 -23.912 -18.224 21.196 1.00 0.00 H new ATOM 0 HB2 LYS A 607 -21.409 -18.773 21.510 1.00 0.00 H new ATOM 0 HB3 LYS A 607 -21.673 -18.525 23.225 1.00 0.00 H new ATOM 0 HG2 LYS A 607 -21.912 -20.836 23.093 1.00 0.00 H new ATOM 0 HG3 LYS A 607 -23.586 -20.342 22.935 1.00 0.00 H new ATOM 0 HD2 LYS A 607 -21.799 -20.899 20.512 1.00 0.00 H new ATOM 0 HD3 LYS A 607 -22.755 -22.149 21.281 1.00 0.00 H new ATOM 0 HE2 LYS A 607 -24.843 -21.002 20.704 1.00 0.00 H new ATOM 0 HE3 LYS A 607 -23.969 -19.602 20.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 607 -24.694 -21.006 18.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 607 -22.998 -20.975 18.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 607 -23.846 -22.331 18.943 1.00 0.00 H new ATOM 981 N ALA A 608 -23.564 -16.667 24.103 1.00 0.00 N ATOM 982 CA ALA A 608 -24.266 -16.171 25.292 1.00 0.00 C ATOM 983 C ALA A 608 -25.497 -15.348 24.868 1.00 0.00 C ATOM 984 O ALA A 608 -26.599 -15.530 25.394 1.00 0.00 O ATOM 985 CB ALA A 608 -23.309 -15.329 26.153 1.00 0.00 C ATOM 0 H ALA A 608 -22.618 -16.300 24.005 1.00 0.00 H new ATOM 0 HA ALA A 608 -24.608 -17.016 25.890 1.00 0.00 H new ATOM 0 HB1 ALA A 608 -23.837 -14.964 27.034 1.00 0.00 H new ATOM 0 HB2 ALA A 608 -22.464 -15.943 26.465 1.00 0.00 H new ATOM 0 HB3 ALA A 608 -22.946 -14.482 25.571 1.00 0.00 H new