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 588 THR OG1 : rot -46:sc= 1.01 USER MOD Set 1.2: A 590 LYS NZ :NH3+ -137:sc= 0.75 (180deg=-1.29!) USER MOD Single : A 555 THR OG1 : rot -150:sc= -0.841 USER MOD Single : A 556 THR OG1 : rot 180:sc= 0 USER MOD Single : A 559 GLN : amide:sc= -1.15! C(o=-1.2!,f=-5.2!) USER MOD Single : A 560 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 564 GLN : amide:sc= 0.232 X(o=0.23,f=0) USER MOD Single : A 567 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 568 THR OG1 : rot 82:sc= 1.18 USER MOD Single : A 569 TYR OH : rot 180:sc= 0 USER MOD Single : A 572 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 573 THR OG1 : rot 88:sc= 0.47 USER MOD Single : A 578 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 579 LYS NZ :NH3+ -171:sc= -0.0149 (180deg=-0.14) USER MOD Single : A 589 LYS NZ :NH3+ -144:sc= 0.951 (180deg=0.218) USER MOD Single : A 592 CYS SG : rot 64:sc= -0.111 USER MOD Single : A 593 MET CE :methyl -120:sc= -0.0177 (180deg=-2.68!) USER MOD Single : A 594 LYS NZ :NH3+ -145:sc=-0.00592 (180deg=-1.33) USER MOD Single : A 596 TYR OH : rot 180:sc= 0.00386 USER MOD Single : A 597 LYS NZ :NH3+ -146:sc= 1.44 (180deg=0.283) USER MOD Single : A 602 MET CE :methyl -162:sc= -0.135 (180deg=-0.574) USER MOD Single : A 604 LYS NZ :NH3+ -170:sc=-0.00766 (180deg=-0.11) USER MOD Single : A 606 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0107) USER MOD Single : A 607 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 49 N TRP A 554 -7.098 -10.299 6.064 1.00 0.00 N ATOM 50 CA TRP A 554 -7.390 -11.700 5.748 1.00 0.00 C ATOM 51 C TRP A 554 -8.520 -11.803 4.714 1.00 0.00 C ATOM 52 O TRP A 554 -9.683 -11.521 5.025 1.00 0.00 O ATOM 53 CB TRP A 554 -7.754 -12.462 7.048 1.00 0.00 C ATOM 54 CG TRP A 554 -6.583 -12.634 7.988 1.00 0.00 C ATOM 55 CD1 TRP A 554 -6.073 -11.720 8.873 1.00 0.00 C ATOM 56 CD2 TRP A 554 -5.777 -13.800 8.108 1.00 0.00 C ATOM 57 NE1 TRP A 554 -4.999 -12.264 9.533 1.00 0.00 N ATOM 58 CE2 TRP A 554 -4.798 -13.538 9.073 1.00 0.00 C ATOM 59 CE3 TRP A 554 -5.798 -15.045 7.495 1.00 0.00 C ATOM 60 CZ2 TRP A 554 -3.846 -14.481 9.427 1.00 0.00 C ATOM 61 CZ3 TRP A 554 -4.852 -15.973 7.843 1.00 0.00 C ATOM 62 CH2 TRP A 554 -3.884 -15.690 8.805 1.00 0.00 C ATOM 0 HA TRP A 554 -6.503 -12.157 5.310 1.00 0.00 H new ATOM 0 HB2 TRP A 554 -8.550 -11.926 7.565 1.00 0.00 H new ATOM 0 HB3 TRP A 554 -8.149 -13.444 6.787 1.00 0.00 H new ATOM 0 HD1 TRP A 554 -6.458 -10.723 9.028 1.00 0.00 H new ATOM 0 HE1 TRP A 554 -4.442 -11.796 10.248 1.00 0.00 H new ATOM 0 HE3 TRP A 554 -6.549 -15.279 6.755 1.00 0.00 H new ATOM 0 HZ2 TRP A 554 -3.097 -14.263 10.174 1.00 0.00 H new ATOM 0 HZ3 TRP A 554 -4.856 -16.941 7.363 1.00 0.00 H new ATOM 0 HH2 TRP A 554 -3.153 -16.442 9.061 1.00 0.00 H new ATOM 73 N THR A 555 -8.149 -12.165 3.477 1.00 0.00 N ATOM 74 CA THR A 555 -9.105 -12.414 2.386 1.00 0.00 C ATOM 75 C THR A 555 -9.815 -13.768 2.598 1.00 0.00 C ATOM 76 O THR A 555 -9.457 -14.509 3.509 1.00 0.00 O ATOM 77 CB THR A 555 -8.374 -12.419 1.012 1.00 0.00 C ATOM 78 OG1 THR A 555 -7.405 -13.476 0.999 1.00 0.00 O ATOM 79 CG2 THR A 555 -7.683 -11.072 0.714 1.00 0.00 C ATOM 0 H THR A 555 -7.175 -12.294 3.204 1.00 0.00 H new ATOM 0 HA THR A 555 -9.846 -11.615 2.391 1.00 0.00 H new ATOM 0 HB THR A 555 -9.121 -12.578 0.234 1.00 0.00 H new ATOM 0 HG1 THR A 555 -6.656 -13.226 0.418 1.00 0.00 H new ATOM 0 HG21 THR A 555 -7.187 -11.124 -0.255 1.00 0.00 H new ATOM 0 HG22 THR A 555 -8.428 -10.277 0.698 1.00 0.00 H new ATOM 0 HG23 THR A 555 -6.945 -10.862 1.489 1.00 0.00 H new ATOM 87 N THR A 556 -10.794 -14.095 1.734 1.00 0.00 N ATOM 88 CA THR A 556 -11.555 -15.356 1.824 1.00 0.00 C ATOM 89 C THR A 556 -10.618 -16.589 1.704 1.00 0.00 C ATOM 90 O THR A 556 -10.791 -17.577 2.417 1.00 0.00 O ATOM 91 CB THR A 556 -12.662 -15.411 0.719 1.00 0.00 C ATOM 92 OG1 THR A 556 -13.393 -14.170 0.719 1.00 0.00 O ATOM 93 CG2 THR A 556 -13.652 -16.581 0.932 1.00 0.00 C ATOM 0 H THR A 556 -11.079 -13.497 0.958 1.00 0.00 H new ATOM 0 HA THR A 556 -12.033 -15.386 2.803 1.00 0.00 H new ATOM 0 HB THR A 556 -12.163 -15.570 -0.237 1.00 0.00 H new ATOM 0 HG1 THR A 556 -14.087 -14.199 0.027 1.00 0.00 H new ATOM 0 HG21 THR A 556 -14.400 -16.574 0.139 1.00 0.00 H new ATOM 0 HG22 THR A 556 -13.109 -17.526 0.911 1.00 0.00 H new ATOM 0 HG23 THR A 556 -14.146 -16.468 1.897 1.00 0.00 H new ATOM 101 N GLU A 557 -9.600 -16.484 0.828 1.00 0.00 N ATOM 102 CA GLU A 557 -8.607 -17.557 0.606 1.00 0.00 C ATOM 103 C GLU A 557 -7.622 -17.658 1.790 1.00 0.00 C ATOM 104 O GLU A 557 -7.350 -18.772 2.259 1.00 0.00 O ATOM 105 CB GLU A 557 -7.848 -17.380 -0.751 1.00 0.00 C ATOM 106 CG GLU A 557 -7.386 -15.938 -1.092 1.00 0.00 C ATOM 107 CD GLU A 557 -8.403 -15.148 -1.960 1.00 0.00 C ATOM 108 OE1 GLU A 557 -9.367 -14.570 -1.407 1.00 0.00 O ATOM 109 OE2 GLU A 557 -8.242 -15.115 -3.202 1.00 0.00 O ATOM 0 H GLU A 557 -9.442 -15.655 0.255 1.00 0.00 H new ATOM 0 HA GLU A 557 -9.156 -18.497 0.545 1.00 0.00 H new ATOM 0 HB2 GLU A 557 -6.971 -18.028 -0.741 1.00 0.00 H new ATOM 0 HB3 GLU A 557 -8.495 -17.732 -1.554 1.00 0.00 H new ATOM 0 HG2 GLU A 557 -7.212 -15.392 -0.165 1.00 0.00 H new ATOM 0 HG3 GLU A 557 -6.432 -15.986 -1.618 1.00 0.00 H new ATOM 116 N GLU A 558 -7.106 -16.494 2.277 1.00 0.00 N ATOM 117 CA GLU A 558 -6.225 -16.454 3.479 1.00 0.00 C ATOM 118 C GLU A 558 -6.935 -17.087 4.696 1.00 0.00 C ATOM 119 O GLU A 558 -6.318 -17.823 5.477 1.00 0.00 O ATOM 120 CB GLU A 558 -5.764 -14.997 3.845 1.00 0.00 C ATOM 121 CG GLU A 558 -4.399 -14.563 3.261 1.00 0.00 C ATOM 122 CD GLU A 558 -4.446 -14.129 1.791 1.00 0.00 C ATOM 123 OE1 GLU A 558 -4.325 -14.981 0.886 1.00 0.00 O ATOM 124 OE2 GLU A 558 -4.600 -12.912 1.537 1.00 0.00 O ATOM 0 H GLU A 558 -7.283 -15.580 1.860 1.00 0.00 H new ATOM 0 HA GLU A 558 -5.335 -17.031 3.227 1.00 0.00 H new ATOM 0 HB2 GLU A 558 -6.525 -14.297 3.501 1.00 0.00 H new ATOM 0 HB3 GLU A 558 -5.719 -14.911 4.931 1.00 0.00 H new ATOM 0 HG2 GLU A 558 -4.008 -13.739 3.858 1.00 0.00 H new ATOM 0 HG3 GLU A 558 -3.696 -15.390 3.360 1.00 0.00 H new ATOM 131 N GLN A 559 -8.237 -16.779 4.819 1.00 0.00 N ATOM 132 CA GLN A 559 -9.103 -17.309 5.877 1.00 0.00 C ATOM 133 C GLN A 559 -9.176 -18.830 5.791 1.00 0.00 C ATOM 134 O GLN A 559 -8.845 -19.490 6.745 1.00 0.00 O ATOM 135 CB GLN A 559 -10.535 -16.690 5.818 1.00 0.00 C ATOM 136 CG GLN A 559 -10.650 -15.243 6.360 1.00 0.00 C ATOM 137 CD GLN A 559 -10.741 -15.105 7.895 1.00 0.00 C ATOM 138 OE1 GLN A 559 -11.399 -14.201 8.380 1.00 0.00 O ATOM 139 NE2 GLN A 559 -10.100 -15.982 8.671 1.00 0.00 N ATOM 0 H GLN A 559 -8.719 -16.148 4.179 1.00 0.00 H new ATOM 0 HA GLN A 559 -8.664 -17.028 6.834 1.00 0.00 H new ATOM 0 HB2 GLN A 559 -10.876 -16.702 4.783 1.00 0.00 H new ATOM 0 HB3 GLN A 559 -11.213 -17.328 6.384 1.00 0.00 H new ATOM 0 HG2 GLN A 559 -9.786 -14.676 6.014 1.00 0.00 H new ATOM 0 HG3 GLN A 559 -11.533 -14.779 5.920 1.00 0.00 H new ATOM 0 HE21 GLN A 559 -9.554 -16.733 8.249 1.00 0.00 H new ATOM 0 HE22 GLN A 559 -10.157 -15.901 9.686 1.00 0.00 H new ATOM 148 N LYS A 560 -9.561 -19.368 4.625 1.00 0.00 N ATOM 149 CA LYS A 560 -9.737 -20.830 4.422 1.00 0.00 C ATOM 150 C LYS A 560 -8.479 -21.636 4.825 1.00 0.00 C ATOM 151 O LYS A 560 -8.589 -22.696 5.452 1.00 0.00 O ATOM 152 CB LYS A 560 -10.116 -21.125 2.949 1.00 0.00 C ATOM 153 CG LYS A 560 -11.548 -20.692 2.561 1.00 0.00 C ATOM 154 CD LYS A 560 -11.845 -20.885 1.054 1.00 0.00 C ATOM 155 CE LYS A 560 -11.654 -22.342 0.586 1.00 0.00 C ATOM 156 NZ LYS A 560 -11.911 -22.503 -0.866 1.00 0.00 N ATOM 0 H LYS A 560 -9.761 -18.812 3.793 1.00 0.00 H new ATOM 0 HA LYS A 560 -10.548 -21.151 5.076 1.00 0.00 H new ATOM 0 HB2 LYS A 560 -9.406 -20.618 2.295 1.00 0.00 H new ATOM 0 HB3 LYS A 560 -10.010 -22.194 2.766 1.00 0.00 H new ATOM 0 HG2 LYS A 560 -12.267 -21.266 3.145 1.00 0.00 H new ATOM 0 HG3 LYS A 560 -11.689 -19.643 2.823 1.00 0.00 H new ATOM 0 HD2 LYS A 560 -12.869 -20.574 0.848 1.00 0.00 H new ATOM 0 HD3 LYS A 560 -11.191 -20.234 0.474 1.00 0.00 H new ATOM 0 HE2 LYS A 560 -10.637 -22.664 0.811 1.00 0.00 H new ATOM 0 HE3 LYS A 560 -12.325 -22.993 1.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 560 -11.771 -23.498 -1.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 560 -12.889 -22.222 -1.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 560 -11.253 -21.903 -1.404 1.00 0.00 H new ATOM 170 N LEU A 561 -7.297 -21.093 4.482 1.00 0.00 N ATOM 171 CA LEU A 561 -5.989 -21.685 4.837 1.00 0.00 C ATOM 172 C LEU A 561 -5.782 -21.690 6.370 1.00 0.00 C ATOM 173 O LEU A 561 -5.228 -22.641 6.928 1.00 0.00 O ATOM 174 CB LEU A 561 -4.852 -20.895 4.142 1.00 0.00 C ATOM 175 CG LEU A 561 -4.920 -20.822 2.584 1.00 0.00 C ATOM 176 CD1 LEU A 561 -3.806 -19.916 2.020 1.00 0.00 C ATOM 177 CD2 LEU A 561 -4.883 -22.232 1.949 1.00 0.00 C ATOM 0 H LEU A 561 -7.219 -20.227 3.948 1.00 0.00 H new ATOM 0 HA LEU A 561 -5.970 -22.719 4.492 1.00 0.00 H new ATOM 0 HB2 LEU A 561 -4.852 -19.878 4.534 1.00 0.00 H new ATOM 0 HB3 LEU A 561 -3.900 -21.345 4.423 1.00 0.00 H new ATOM 0 HG LEU A 561 -5.876 -20.373 2.315 1.00 0.00 H new ATOM 0 HD11 LEU A 561 -3.878 -19.884 0.933 1.00 0.00 H new ATOM 0 HD12 LEU A 561 -3.919 -18.909 2.421 1.00 0.00 H new ATOM 0 HD13 LEU A 561 -2.833 -20.314 2.307 1.00 0.00 H new ATOM 0 HD21 LEU A 561 -4.932 -22.144 0.864 1.00 0.00 H new ATOM 0 HD22 LEU A 561 -3.957 -22.734 2.231 1.00 0.00 H new ATOM 0 HD23 LEU A 561 -5.734 -22.814 2.304 1.00 0.00 H new ATOM 189 N LEU A 562 -6.244 -20.610 7.027 1.00 0.00 N ATOM 190 CA LEU A 562 -6.168 -20.443 8.493 1.00 0.00 C ATOM 191 C LEU A 562 -7.141 -21.406 9.203 1.00 0.00 C ATOM 192 O LEU A 562 -6.722 -22.183 10.044 1.00 0.00 O ATOM 193 CB LEU A 562 -6.490 -18.967 8.884 1.00 0.00 C ATOM 194 CG LEU A 562 -6.411 -18.601 10.404 1.00 0.00 C ATOM 195 CD1 LEU A 562 -4.973 -18.722 10.953 1.00 0.00 C ATOM 196 CD2 LEU A 562 -7.004 -17.197 10.680 1.00 0.00 C ATOM 0 H LEU A 562 -6.684 -19.822 6.553 1.00 0.00 H new ATOM 0 HA LEU A 562 -5.154 -20.681 8.814 1.00 0.00 H new ATOM 0 HB2 LEU A 562 -5.804 -18.316 8.343 1.00 0.00 H new ATOM 0 HB3 LEU A 562 -7.495 -18.735 8.531 1.00 0.00 H new ATOM 0 HG LEU A 562 -7.021 -19.329 10.939 1.00 0.00 H new ATOM 0 HD11 LEU A 562 -4.964 -18.459 12.011 1.00 0.00 H new ATOM 0 HD12 LEU A 562 -4.622 -19.747 10.831 1.00 0.00 H new ATOM 0 HD13 LEU A 562 -4.316 -18.046 10.405 1.00 0.00 H new ATOM 0 HD21 LEU A 562 -6.933 -16.975 11.745 1.00 0.00 H new ATOM 0 HD22 LEU A 562 -6.447 -16.449 10.116 1.00 0.00 H new ATOM 0 HD23 LEU A 562 -8.050 -17.177 10.374 1.00 0.00 H new ATOM 208 N GLU A 563 -8.422 -21.376 8.785 1.00 0.00 N ATOM 209 CA GLU A 563 -9.547 -22.053 9.471 1.00 0.00 C ATOM 210 C GLU A 563 -9.335 -23.567 9.528 1.00 0.00 C ATOM 211 O GLU A 563 -9.534 -24.194 10.578 1.00 0.00 O ATOM 212 CB GLU A 563 -10.902 -21.758 8.764 1.00 0.00 C ATOM 213 CG GLU A 563 -11.247 -20.273 8.532 1.00 0.00 C ATOM 214 CD GLU A 563 -11.096 -19.386 9.773 1.00 0.00 C ATOM 215 OE1 GLU A 563 -12.004 -19.401 10.631 1.00 0.00 O ATOM 216 OE2 GLU A 563 -10.083 -18.656 9.873 1.00 0.00 O ATOM 0 H GLU A 563 -8.712 -20.872 7.947 1.00 0.00 H new ATOM 0 HA GLU A 563 -9.579 -21.657 10.486 1.00 0.00 H new ATOM 0 HB2 GLU A 563 -10.900 -22.263 7.798 1.00 0.00 H new ATOM 0 HB3 GLU A 563 -11.700 -22.205 9.356 1.00 0.00 H new ATOM 0 HG2 GLU A 563 -10.606 -19.883 7.742 1.00 0.00 H new ATOM 0 HG3 GLU A 563 -12.274 -20.203 8.173 1.00 0.00 H new ATOM 223 N GLN A 564 -8.919 -24.139 8.378 1.00 0.00 N ATOM 224 CA GLN A 564 -8.642 -25.577 8.260 1.00 0.00 C ATOM 225 C GLN A 564 -7.477 -25.949 9.195 1.00 0.00 C ATOM 226 O GLN A 564 -7.537 -26.947 9.891 1.00 0.00 O ATOM 227 CB GLN A 564 -8.340 -25.979 6.776 1.00 0.00 C ATOM 228 CG GLN A 564 -7.012 -25.440 6.198 1.00 0.00 C ATOM 229 CD GLN A 564 -6.798 -25.767 4.718 1.00 0.00 C ATOM 230 OE1 GLN A 564 -6.228 -26.803 4.372 1.00 0.00 O ATOM 231 NE2 GLN A 564 -7.256 -24.893 3.836 1.00 0.00 N ATOM 0 H GLN A 564 -8.768 -23.617 7.515 1.00 0.00 H new ATOM 0 HA GLN A 564 -9.528 -26.136 8.562 1.00 0.00 H new ATOM 0 HB2 GLN A 564 -8.331 -27.067 6.707 1.00 0.00 H new ATOM 0 HB3 GLN A 564 -9.159 -25.627 6.149 1.00 0.00 H new ATOM 0 HG2 GLN A 564 -6.984 -24.358 6.328 1.00 0.00 H new ATOM 0 HG3 GLN A 564 -6.183 -25.852 6.774 1.00 0.00 H new ATOM 0 HE21 GLN A 564 -7.724 -24.044 4.155 1.00 0.00 H new ATOM 0 HE22 GLN A 564 -7.141 -25.068 2.838 1.00 0.00 H new ATOM 240 N ALA A 565 -6.464 -25.071 9.250 1.00 0.00 N ATOM 241 CA ALA A 565 -5.212 -25.298 9.990 1.00 0.00 C ATOM 242 C ALA A 565 -5.403 -25.109 11.514 1.00 0.00 C ATOM 243 O ALA A 565 -4.672 -25.697 12.312 1.00 0.00 O ATOM 244 CB ALA A 565 -4.119 -24.369 9.444 1.00 0.00 C ATOM 0 H ALA A 565 -6.492 -24.169 8.774 1.00 0.00 H new ATOM 0 HA ALA A 565 -4.905 -26.333 9.842 1.00 0.00 H new ATOM 0 HB1 ALA A 565 -3.192 -24.537 9.992 1.00 0.00 H new ATOM 0 HB2 ALA A 565 -3.959 -24.578 8.386 1.00 0.00 H new ATOM 0 HB3 ALA A 565 -4.429 -23.331 9.566 1.00 0.00 H new ATOM 250 N LEU A 566 -6.384 -24.276 11.905 1.00 0.00 N ATOM 251 CA LEU A 566 -6.736 -24.050 13.323 1.00 0.00 C ATOM 252 C LEU A 566 -7.271 -25.341 13.963 1.00 0.00 C ATOM 253 O LEU A 566 -6.994 -25.634 15.127 1.00 0.00 O ATOM 254 CB LEU A 566 -7.794 -22.918 13.448 1.00 0.00 C ATOM 255 CG LEU A 566 -7.317 -21.481 13.056 1.00 0.00 C ATOM 256 CD1 LEU A 566 -8.501 -20.487 12.980 1.00 0.00 C ATOM 257 CD2 LEU A 566 -6.226 -20.974 14.020 1.00 0.00 C ATOM 0 H LEU A 566 -6.955 -23.741 11.251 1.00 0.00 H new ATOM 0 HA LEU A 566 -5.832 -23.747 13.852 1.00 0.00 H new ATOM 0 HB2 LEU A 566 -8.649 -23.178 12.824 1.00 0.00 H new ATOM 0 HB3 LEU A 566 -8.148 -22.892 14.479 1.00 0.00 H new ATOM 0 HG LEU A 566 -6.880 -21.544 12.059 1.00 0.00 H new ATOM 0 HD11 LEU A 566 -8.130 -19.500 12.705 1.00 0.00 H new ATOM 0 HD12 LEU A 566 -9.215 -20.828 12.230 1.00 0.00 H new ATOM 0 HD13 LEU A 566 -8.993 -20.432 13.951 1.00 0.00 H new ATOM 0 HD21 LEU A 566 -5.914 -19.973 13.722 1.00 0.00 H new ATOM 0 HD22 LEU A 566 -6.623 -20.944 15.035 1.00 0.00 H new ATOM 0 HD23 LEU A 566 -5.369 -21.646 13.985 1.00 0.00 H new ATOM 269 N LYS A 567 -8.048 -26.100 13.182 1.00 0.00 N ATOM 270 CA LYS A 567 -8.672 -27.347 13.647 1.00 0.00 C ATOM 271 C LYS A 567 -7.742 -28.559 13.396 1.00 0.00 C ATOM 272 O LYS A 567 -7.661 -29.468 14.231 1.00 0.00 O ATOM 273 CB LYS A 567 -10.035 -27.535 12.939 1.00 0.00 C ATOM 274 CG LYS A 567 -10.888 -28.691 13.502 1.00 0.00 C ATOM 275 CD LYS A 567 -12.273 -28.776 12.840 1.00 0.00 C ATOM 276 CE LYS A 567 -13.185 -29.834 13.488 1.00 0.00 C ATOM 277 NZ LYS A 567 -14.541 -29.824 12.882 1.00 0.00 N ATOM 0 H LYS A 567 -8.262 -25.869 12.212 1.00 0.00 H new ATOM 0 HA LYS A 567 -8.838 -27.283 14.722 1.00 0.00 H new ATOM 0 HB2 LYS A 567 -10.603 -26.608 13.017 1.00 0.00 H new ATOM 0 HB3 LYS A 567 -9.859 -27.712 11.878 1.00 0.00 H new ATOM 0 HG2 LYS A 567 -10.360 -29.633 13.355 1.00 0.00 H new ATOM 0 HG3 LYS A 567 -11.010 -28.558 14.577 1.00 0.00 H new ATOM 0 HD2 LYS A 567 -12.758 -27.802 12.898 1.00 0.00 H new ATOM 0 HD3 LYS A 567 -12.150 -29.009 11.782 1.00 0.00 H new ATOM 0 HE2 LYS A 567 -12.739 -30.822 13.371 1.00 0.00 H new ATOM 0 HE3 LYS A 567 -13.262 -29.644 14.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 567 -15.131 -30.548 13.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 567 -14.974 -28.888 13.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 567 -14.468 -30.029 11.865 1.00 0.00 H new ATOM 291 N THR A 568 -7.043 -28.542 12.239 1.00 0.00 N ATOM 292 CA THR A 568 -6.086 -29.603 11.834 1.00 0.00 C ATOM 293 C THR A 568 -4.934 -29.699 12.850 1.00 0.00 C ATOM 294 O THR A 568 -4.539 -30.798 13.262 1.00 0.00 O ATOM 295 CB THR A 568 -5.530 -29.339 10.386 1.00 0.00 C ATOM 296 OG1 THR A 568 -6.597 -29.460 9.429 1.00 0.00 O ATOM 297 CG2 THR A 568 -4.397 -30.296 9.983 1.00 0.00 C ATOM 0 H THR A 568 -7.125 -27.790 11.555 1.00 0.00 H new ATOM 0 HA THR A 568 -6.617 -30.555 11.819 1.00 0.00 H new ATOM 0 HB THR A 568 -5.117 -28.330 10.394 1.00 0.00 H new ATOM 0 HG1 THR A 568 -7.106 -28.623 9.399 1.00 0.00 H new ATOM 0 HG21 THR A 568 -4.061 -30.058 8.974 1.00 0.00 H new ATOM 0 HG22 THR A 568 -3.564 -30.187 10.678 1.00 0.00 H new ATOM 0 HG23 THR A 568 -4.761 -31.323 10.011 1.00 0.00 H new ATOM 305 N TYR A 569 -4.416 -28.531 13.248 1.00 0.00 N ATOM 306 CA TYR A 569 -3.437 -28.407 14.336 1.00 0.00 C ATOM 307 C TYR A 569 -4.201 -27.839 15.547 1.00 0.00 C ATOM 308 O TYR A 569 -4.439 -26.629 15.592 1.00 0.00 O ATOM 309 CB TYR A 569 -2.253 -27.482 13.915 1.00 0.00 C ATOM 310 CG TYR A 569 -1.766 -27.730 12.477 1.00 0.00 C ATOM 311 CD1 TYR A 569 -1.218 -28.958 12.102 1.00 0.00 C ATOM 312 CD2 TYR A 569 -1.909 -26.760 11.486 1.00 0.00 C ATOM 313 CE1 TYR A 569 -0.808 -29.199 10.805 1.00 0.00 C ATOM 314 CE2 TYR A 569 -1.508 -27.000 10.181 1.00 0.00 C ATOM 315 CZ TYR A 569 -0.962 -28.225 9.847 1.00 0.00 C ATOM 316 OH TYR A 569 -0.560 -28.470 8.553 1.00 0.00 O ATOM 0 H TYR A 569 -4.666 -27.639 12.822 1.00 0.00 H new ATOM 0 HA TYR A 569 -2.993 -29.371 14.583 1.00 0.00 H new ATOM 0 HB2 TYR A 569 -2.562 -26.441 14.012 1.00 0.00 H new ATOM 0 HB3 TYR A 569 -1.421 -27.632 14.603 1.00 0.00 H new ATOM 0 HD1 TYR A 569 -1.112 -29.737 12.842 1.00 0.00 H new ATOM 0 HD2 TYR A 569 -2.341 -25.803 11.740 1.00 0.00 H new ATOM 0 HE1 TYR A 569 -0.368 -30.150 10.544 1.00 0.00 H new ATOM 0 HE2 TYR A 569 -1.622 -26.233 9.429 1.00 0.00 H new ATOM 0 HH TYR A 569 -0.739 -27.681 8.000 1.00 0.00 H new ATOM 326 N PRO A 570 -4.668 -28.716 16.502 1.00 0.00 N ATOM 327 CA PRO A 570 -5.478 -28.277 17.671 1.00 0.00 C ATOM 328 C PRO A 570 -4.732 -27.269 18.581 1.00 0.00 C ATOM 329 O PRO A 570 -3.513 -27.103 18.468 1.00 0.00 O ATOM 330 CB PRO A 570 -5.813 -29.606 18.408 1.00 0.00 C ATOM 331 CG PRO A 570 -4.830 -30.618 17.900 1.00 0.00 C ATOM 332 CD PRO A 570 -4.462 -30.193 16.499 1.00 0.00 C ATOM 0 HA PRO A 570 -6.370 -27.729 17.368 1.00 0.00 H new ATOM 0 HB2 PRO A 570 -5.727 -29.486 19.488 1.00 0.00 H new ATOM 0 HB3 PRO A 570 -6.837 -29.919 18.203 1.00 0.00 H new ATOM 0 HG2 PRO A 570 -3.947 -30.656 18.538 1.00 0.00 H new ATOM 0 HG3 PRO A 570 -5.266 -31.617 17.900 1.00 0.00 H new ATOM 0 HD2 PRO A 570 -3.430 -30.451 16.262 1.00 0.00 H new ATOM 0 HD3 PRO A 570 -5.092 -30.682 15.756 1.00 0.00 H new ATOM 340 N VAL A 571 -5.479 -26.607 19.488 1.00 0.00 N ATOM 341 CA VAL A 571 -4.960 -25.459 20.274 1.00 0.00 C ATOM 342 C VAL A 571 -3.804 -25.863 21.223 1.00 0.00 C ATOM 343 O VAL A 571 -2.876 -25.078 21.440 1.00 0.00 O ATOM 344 CB VAL A 571 -6.108 -24.726 21.075 1.00 0.00 C ATOM 345 CG1 VAL A 571 -6.736 -25.626 22.169 1.00 0.00 C ATOM 346 CG2 VAL A 571 -5.612 -23.377 21.663 1.00 0.00 C ATOM 0 H VAL A 571 -6.448 -26.846 19.698 1.00 0.00 H new ATOM 0 HA VAL A 571 -4.553 -24.756 19.547 1.00 0.00 H new ATOM 0 HB VAL A 571 -6.901 -24.508 20.360 1.00 0.00 H new ATOM 0 HG11 VAL A 571 -7.519 -25.074 22.689 1.00 0.00 H new ATOM 0 HG12 VAL A 571 -7.165 -26.515 21.707 1.00 0.00 H new ATOM 0 HG13 VAL A 571 -5.967 -25.923 22.882 1.00 0.00 H new ATOM 0 HG21 VAL A 571 -6.425 -22.897 22.208 1.00 0.00 H new ATOM 0 HG22 VAL A 571 -4.779 -23.560 22.341 1.00 0.00 H new ATOM 0 HG23 VAL A 571 -5.284 -22.726 20.853 1.00 0.00 H new ATOM 356 N ASN A 572 -3.846 -27.107 21.737 1.00 0.00 N ATOM 357 CA ASN A 572 -2.833 -27.627 22.689 1.00 0.00 C ATOM 358 C ASN A 572 -1.485 -27.961 21.997 1.00 0.00 C ATOM 359 O ASN A 572 -0.504 -28.269 22.686 1.00 0.00 O ATOM 360 CB ASN A 572 -3.384 -28.875 23.447 1.00 0.00 C ATOM 361 CG ASN A 572 -4.510 -28.535 24.430 1.00 0.00 C ATOM 362 OD1 ASN A 572 -4.251 -28.167 25.577 1.00 0.00 O ATOM 363 ND2 ASN A 572 -5.762 -28.648 23.999 1.00 0.00 N ATOM 0 H ASN A 572 -4.577 -27.781 21.509 1.00 0.00 H new ATOM 0 HA ASN A 572 -2.634 -26.833 23.408 1.00 0.00 H new ATOM 0 HB2 ASN A 572 -3.751 -29.600 22.721 1.00 0.00 H new ATOM 0 HB3 ASN A 572 -2.568 -29.352 23.990 1.00 0.00 H new ATOM 0 HD21 ASN A 572 -6.538 -28.428 24.623 1.00 0.00 H new ATOM 0 HD22 ASN A 572 -5.947 -28.955 23.044 1.00 0.00 H new ATOM 370 N THR A 573 -1.450 -27.911 20.644 1.00 0.00 N ATOM 371 CA THR A 573 -0.230 -28.181 19.849 1.00 0.00 C ATOM 372 C THR A 573 0.826 -27.060 20.073 1.00 0.00 C ATOM 373 O THR A 573 0.540 -25.887 19.780 1.00 0.00 O ATOM 374 CB THR A 573 -0.573 -28.284 18.320 1.00 0.00 C ATOM 375 OG1 THR A 573 -1.612 -29.260 18.117 1.00 0.00 O ATOM 376 CG2 THR A 573 0.652 -28.653 17.457 1.00 0.00 C ATOM 0 H THR A 573 -2.265 -27.683 20.075 1.00 0.00 H new ATOM 0 HA THR A 573 0.184 -29.133 20.182 1.00 0.00 H new ATOM 0 HB THR A 573 -0.910 -27.297 18.003 1.00 0.00 H new ATOM 0 HG1 THR A 573 -2.488 -28.830 18.210 1.00 0.00 H new ATOM 0 HG21 THR A 573 0.355 -28.710 16.410 1.00 0.00 H new ATOM 0 HG22 THR A 573 1.423 -27.891 17.575 1.00 0.00 H new ATOM 0 HG23 THR A 573 1.044 -29.619 17.776 1.00 0.00 H new ATOM 384 N PRO A 574 2.050 -27.386 20.628 1.00 0.00 N ATOM 385 CA PRO A 574 3.141 -26.385 20.846 1.00 0.00 C ATOM 386 C PRO A 574 3.605 -25.687 19.545 1.00 0.00 C ATOM 387 O PRO A 574 3.948 -24.492 19.547 1.00 0.00 O ATOM 388 CB PRO A 574 4.287 -27.227 21.477 1.00 0.00 C ATOM 389 CG PRO A 574 3.595 -28.414 22.071 1.00 0.00 C ATOM 390 CD PRO A 574 2.455 -28.730 21.131 1.00 0.00 C ATOM 0 HA PRO A 574 2.807 -25.561 21.477 1.00 0.00 H new ATOM 0 HB2 PRO A 574 5.018 -27.528 20.727 1.00 0.00 H new ATOM 0 HB3 PRO A 574 4.825 -26.660 22.237 1.00 0.00 H new ATOM 0 HG2 PRO A 574 4.276 -29.261 22.161 1.00 0.00 H new ATOM 0 HG3 PRO A 574 3.227 -28.193 23.073 1.00 0.00 H new ATOM 0 HD2 PRO A 574 2.771 -29.386 20.320 1.00 0.00 H new ATOM 0 HD3 PRO A 574 1.635 -29.232 21.645 1.00 0.00 H new ATOM 398 N GLU A 575 3.611 -26.444 18.429 1.00 0.00 N ATOM 399 CA GLU A 575 4.024 -25.938 17.100 1.00 0.00 C ATOM 400 C GLU A 575 2.807 -25.598 16.215 1.00 0.00 C ATOM 401 O GLU A 575 2.958 -25.538 14.987 1.00 0.00 O ATOM 402 CB GLU A 575 4.920 -26.975 16.363 1.00 0.00 C ATOM 403 CG GLU A 575 6.277 -27.269 17.022 1.00 0.00 C ATOM 404 CD GLU A 575 7.157 -28.191 16.156 1.00 0.00 C ATOM 405 OE1 GLU A 575 7.075 -29.431 16.300 1.00 0.00 O ATOM 406 OE2 GLU A 575 7.933 -27.673 15.322 1.00 0.00 O ATOM 0 H GLU A 575 3.330 -27.424 18.422 1.00 0.00 H new ATOM 0 HA GLU A 575 4.594 -25.025 17.274 1.00 0.00 H new ATOM 0 HB2 GLU A 575 4.367 -27.911 16.279 1.00 0.00 H new ATOM 0 HB3 GLU A 575 5.099 -26.618 15.349 1.00 0.00 H new ATOM 0 HG2 GLU A 575 6.803 -26.331 17.201 1.00 0.00 H new ATOM 0 HG3 GLU A 575 6.114 -27.734 17.994 1.00 0.00 H new ATOM 413 N ARG A 576 1.627 -25.331 16.838 1.00 0.00 N ATOM 414 CA ARG A 576 0.349 -25.087 16.103 1.00 0.00 C ATOM 415 C ARG A 576 0.547 -24.055 14.977 1.00 0.00 C ATOM 416 O ARG A 576 0.336 -24.345 13.802 1.00 0.00 O ATOM 417 CB ARG A 576 -0.772 -24.557 17.053 1.00 0.00 C ATOM 418 CG ARG A 576 -2.188 -24.536 16.420 1.00 0.00 C ATOM 419 CD ARG A 576 -3.183 -23.663 17.201 1.00 0.00 C ATOM 420 NE ARG A 576 -4.596 -23.878 16.793 1.00 0.00 N ATOM 421 CZ ARG A 576 -5.650 -23.278 17.384 1.00 0.00 C ATOM 422 NH1 ARG A 576 -5.475 -22.415 18.363 1.00 0.00 N ATOM 423 NH2 ARG A 576 -6.882 -23.561 17.002 1.00 0.00 N ATOM 0 H ARG A 576 1.532 -25.279 17.852 1.00 0.00 H new ATOM 0 HA ARG A 576 0.047 -26.047 15.684 1.00 0.00 H new ATOM 0 HB2 ARG A 576 -0.796 -25.178 17.949 1.00 0.00 H new ATOM 0 HB3 ARG A 576 -0.514 -23.547 17.372 1.00 0.00 H new ATOM 0 HG2 ARG A 576 -2.117 -24.169 15.396 1.00 0.00 H new ATOM 0 HG3 ARG A 576 -2.571 -25.555 16.367 1.00 0.00 H new ATOM 0 HD2 ARG A 576 -3.083 -23.873 18.266 1.00 0.00 H new ATOM 0 HD3 ARG A 576 -2.926 -22.613 17.058 1.00 0.00 H new ATOM 0 HE ARG A 576 -4.780 -24.517 16.020 1.00 0.00 H new ATOM 0 HH11 ARG A 576 -4.533 -22.192 18.684 1.00 0.00 H new ATOM 0 HH12 ARG A 576 -6.282 -21.969 18.800 1.00 0.00 H new ATOM 0 HH21 ARG A 576 -7.042 -24.237 16.255 1.00 0.00 H new ATOM 0 HH22 ARG A 576 -7.674 -23.103 17.454 1.00 0.00 H new ATOM 437 N TRP A 577 1.050 -22.887 15.380 1.00 0.00 N ATOM 438 CA TRP A 577 1.172 -21.700 14.530 1.00 0.00 C ATOM 439 C TRP A 577 2.330 -21.814 13.521 1.00 0.00 C ATOM 440 O TRP A 577 2.290 -21.186 12.464 1.00 0.00 O ATOM 441 CB TRP A 577 1.325 -20.454 15.442 1.00 0.00 C ATOM 442 CG TRP A 577 0.181 -20.314 16.433 1.00 0.00 C ATOM 443 CD1 TRP A 577 0.200 -20.584 17.779 1.00 0.00 C ATOM 444 CD2 TRP A 577 -1.158 -19.902 16.133 1.00 0.00 C ATOM 445 NE1 TRP A 577 -1.037 -20.359 18.319 1.00 0.00 N ATOM 446 CE2 TRP A 577 -1.887 -19.943 17.330 1.00 0.00 C ATOM 447 CE3 TRP A 577 -1.804 -19.503 14.963 1.00 0.00 C ATOM 448 CZ2 TRP A 577 -3.239 -19.601 17.390 1.00 0.00 C ATOM 449 CZ3 TRP A 577 -3.139 -19.163 15.023 1.00 0.00 C ATOM 450 CH2 TRP A 577 -3.842 -19.216 16.229 1.00 0.00 C ATOM 0 H TRP A 577 1.392 -22.736 16.329 1.00 0.00 H new ATOM 0 HA TRP A 577 0.269 -21.604 13.927 1.00 0.00 H new ATOM 0 HB2 TRP A 577 2.267 -20.520 15.986 1.00 0.00 H new ATOM 0 HB3 TRP A 577 1.377 -19.559 14.823 1.00 0.00 H new ATOM 0 HD1 TRP A 577 1.064 -20.924 18.330 1.00 0.00 H new ATOM 0 HE1 TRP A 577 -1.286 -20.482 19.301 1.00 0.00 H new ATOM 0 HE3 TRP A 577 -1.268 -19.461 14.026 1.00 0.00 H new ATOM 0 HZ2 TRP A 577 -3.786 -19.640 18.320 1.00 0.00 H new ATOM 0 HZ3 TRP A 577 -3.649 -18.851 14.124 1.00 0.00 H new ATOM 0 HH2 TRP A 577 -4.888 -18.946 16.242 1.00 0.00 H new ATOM 461 N LYS A 578 3.348 -22.637 13.844 1.00 0.00 N ATOM 462 CA LYS A 578 4.485 -22.913 12.926 1.00 0.00 C ATOM 463 C LYS A 578 4.003 -23.772 11.743 1.00 0.00 C ATOM 464 O LYS A 578 4.498 -23.651 10.621 1.00 0.00 O ATOM 465 CB LYS A 578 5.660 -23.647 13.646 1.00 0.00 C ATOM 466 CG LYS A 578 6.470 -22.795 14.654 1.00 0.00 C ATOM 467 CD LYS A 578 5.695 -22.473 15.948 1.00 0.00 C ATOM 468 CE LYS A 578 6.493 -21.584 16.920 1.00 0.00 C ATOM 469 NZ LYS A 578 5.788 -21.429 18.218 1.00 0.00 N ATOM 0 H LYS A 578 3.411 -23.127 14.737 1.00 0.00 H new ATOM 0 HA LYS A 578 4.856 -21.951 12.572 1.00 0.00 H new ATOM 0 HB2 LYS A 578 5.255 -24.511 14.173 1.00 0.00 H new ATOM 0 HB3 LYS A 578 6.345 -24.027 12.888 1.00 0.00 H new ATOM 0 HG2 LYS A 578 7.387 -23.325 14.911 1.00 0.00 H new ATOM 0 HG3 LYS A 578 6.765 -21.862 14.174 1.00 0.00 H new ATOM 0 HD2 LYS A 578 4.761 -21.974 15.691 1.00 0.00 H new ATOM 0 HD3 LYS A 578 5.431 -23.405 16.449 1.00 0.00 H new ATOM 0 HE2 LYS A 578 7.477 -22.020 17.089 1.00 0.00 H new ATOM 0 HE3 LYS A 578 6.652 -20.603 16.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 578 6.352 -20.825 18.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 578 4.859 -20.990 18.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 578 5.659 -22.363 18.657 1.00 0.00 H new ATOM 483 N LYS A 579 3.042 -24.651 12.036 1.00 0.00 N ATOM 484 CA LYS A 579 2.407 -25.527 11.047 1.00 0.00 C ATOM 485 C LYS A 579 1.337 -24.759 10.242 1.00 0.00 C ATOM 486 O LYS A 579 1.122 -25.030 9.054 1.00 0.00 O ATOM 487 CB LYS A 579 1.819 -26.752 11.780 1.00 0.00 C ATOM 488 CG LYS A 579 2.881 -27.633 12.483 1.00 0.00 C ATOM 489 CD LYS A 579 2.258 -28.763 13.342 1.00 0.00 C ATOM 490 CE LYS A 579 3.319 -29.664 14.002 1.00 0.00 C ATOM 491 NZ LYS A 579 4.200 -30.322 13.003 1.00 0.00 N ATOM 0 H LYS A 579 2.677 -24.777 12.980 1.00 0.00 H new ATOM 0 HA LYS A 579 3.145 -25.874 10.324 1.00 0.00 H new ATOM 0 HB2 LYS A 579 1.098 -26.408 12.522 1.00 0.00 H new ATOM 0 HB3 LYS A 579 1.271 -27.363 11.063 1.00 0.00 H new ATOM 0 HG2 LYS A 579 3.535 -28.074 11.731 1.00 0.00 H new ATOM 0 HG3 LYS A 579 3.505 -27.004 13.118 1.00 0.00 H new ATOM 0 HD2 LYS A 579 1.631 -28.321 14.116 1.00 0.00 H new ATOM 0 HD3 LYS A 579 1.608 -29.374 12.715 1.00 0.00 H new ATOM 0 HE2 LYS A 579 3.927 -29.067 14.682 1.00 0.00 H new ATOM 0 HE3 LYS A 579 2.823 -30.426 14.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 579 4.794 -31.031 13.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 579 3.617 -30.788 12.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 579 4.807 -29.608 12.551 1.00 0.00 H new ATOM 505 N ILE A 580 0.672 -23.794 10.910 1.00 0.00 N ATOM 506 CA ILE A 580 -0.291 -22.861 10.265 1.00 0.00 C ATOM 507 C ILE A 580 0.456 -21.888 9.325 1.00 0.00 C ATOM 508 O ILE A 580 -0.105 -21.426 8.332 1.00 0.00 O ATOM 509 CB ILE A 580 -1.133 -22.073 11.354 1.00 0.00 C ATOM 510 CG1 ILE A 580 -2.021 -23.074 12.165 1.00 0.00 C ATOM 511 CG2 ILE A 580 -1.997 -20.939 10.738 1.00 0.00 C ATOM 512 CD1 ILE A 580 -2.835 -22.465 13.291 1.00 0.00 C ATOM 0 H ILE A 580 0.783 -23.635 11.911 1.00 0.00 H new ATOM 0 HA ILE A 580 -0.991 -23.444 9.667 1.00 0.00 H new ATOM 0 HB ILE A 580 -0.426 -21.589 12.027 1.00 0.00 H new ATOM 0 HG12 ILE A 580 -2.703 -23.568 11.474 1.00 0.00 H new ATOM 0 HG13 ILE A 580 -1.376 -23.847 12.584 1.00 0.00 H new ATOM 0 HG21 ILE A 580 -2.552 -20.434 11.529 1.00 0.00 H new ATOM 0 HG22 ILE A 580 -1.350 -20.222 10.233 1.00 0.00 H new ATOM 0 HG23 ILE A 580 -2.697 -21.365 10.019 1.00 0.00 H new ATOM 0 HD11 ILE A 580 -3.413 -23.246 13.786 1.00 0.00 H new ATOM 0 HD12 ILE A 580 -2.165 -21.997 14.012 1.00 0.00 H new ATOM 0 HD13 ILE A 580 -3.513 -21.714 12.885 1.00 0.00 H new ATOM 524 N ALA A 581 1.729 -21.607 9.655 1.00 0.00 N ATOM 525 CA ALA A 581 2.647 -20.823 8.798 1.00 0.00 C ATOM 526 C ALA A 581 2.797 -21.452 7.406 1.00 0.00 C ATOM 527 O ALA A 581 2.793 -20.756 6.386 1.00 0.00 O ATOM 528 CB ALA A 581 4.032 -20.713 9.463 1.00 0.00 C ATOM 0 H ALA A 581 2.156 -21.917 10.528 1.00 0.00 H new ATOM 0 HA ALA A 581 2.215 -19.829 8.679 1.00 0.00 H new ATOM 0 HB1 ALA A 581 4.698 -20.134 8.823 1.00 0.00 H new ATOM 0 HB2 ALA A 581 3.934 -20.216 10.428 1.00 0.00 H new ATOM 0 HB3 ALA A 581 4.446 -21.711 9.609 1.00 0.00 H new ATOM 534 N GLU A 582 2.922 -22.781 7.403 1.00 0.00 N ATOM 535 CA GLU A 582 3.089 -23.583 6.183 1.00 0.00 C ATOM 536 C GLU A 582 1.789 -23.591 5.352 1.00 0.00 C ATOM 537 O GLU A 582 1.830 -23.655 4.117 1.00 0.00 O ATOM 538 CB GLU A 582 3.517 -25.018 6.576 1.00 0.00 C ATOM 539 CG GLU A 582 4.836 -25.073 7.381 1.00 0.00 C ATOM 540 CD GLU A 582 5.183 -26.484 7.885 1.00 0.00 C ATOM 541 OE1 GLU A 582 5.639 -27.320 7.072 1.00 0.00 O ATOM 542 OE2 GLU A 582 4.985 -26.769 9.089 1.00 0.00 O ATOM 0 H GLU A 582 2.910 -23.340 8.256 1.00 0.00 H new ATOM 0 HA GLU A 582 3.866 -23.141 5.559 1.00 0.00 H new ATOM 0 HB2 GLU A 582 2.723 -25.476 7.165 1.00 0.00 H new ATOM 0 HB3 GLU A 582 3.628 -25.615 5.671 1.00 0.00 H new ATOM 0 HG2 GLU A 582 5.651 -24.708 6.756 1.00 0.00 H new ATOM 0 HG3 GLU A 582 4.761 -24.398 8.234 1.00 0.00 H new ATOM 549 N ALA A 583 0.643 -23.514 6.053 1.00 0.00 N ATOM 550 CA ALA A 583 -0.690 -23.470 5.423 1.00 0.00 C ATOM 551 C ALA A 583 -1.003 -22.069 4.852 1.00 0.00 C ATOM 552 O ALA A 583 -1.605 -21.954 3.778 1.00 0.00 O ATOM 553 CB ALA A 583 -1.762 -23.891 6.443 1.00 0.00 C ATOM 0 H ALA A 583 0.615 -23.481 7.072 1.00 0.00 H new ATOM 0 HA ALA A 583 -0.695 -24.170 4.587 1.00 0.00 H new ATOM 0 HB1 ALA A 583 -2.745 -23.857 5.973 1.00 0.00 H new ATOM 0 HB2 ALA A 583 -1.559 -24.905 6.786 1.00 0.00 H new ATOM 0 HB3 ALA A 583 -1.743 -23.209 7.293 1.00 0.00 H new ATOM 559 N VAL A 584 -0.575 -21.011 5.576 1.00 0.00 N ATOM 560 CA VAL A 584 -0.941 -19.610 5.271 1.00 0.00 C ATOM 561 C VAL A 584 0.312 -18.788 4.882 1.00 0.00 C ATOM 562 O VAL A 584 1.113 -18.431 5.761 1.00 0.00 O ATOM 563 CB VAL A 584 -1.637 -18.896 6.490 1.00 0.00 C ATOM 564 CG1 VAL A 584 -2.190 -17.515 6.069 1.00 0.00 C ATOM 565 CG2 VAL A 584 -2.744 -19.766 7.127 1.00 0.00 C ATOM 0 H VAL A 584 0.034 -21.105 6.389 1.00 0.00 H new ATOM 0 HA VAL A 584 -1.643 -19.653 4.438 1.00 0.00 H new ATOM 0 HB VAL A 584 -0.875 -18.748 7.255 1.00 0.00 H new ATOM 0 HG11 VAL A 584 -2.667 -17.038 6.925 1.00 0.00 H new ATOM 0 HG12 VAL A 584 -1.372 -16.888 5.713 1.00 0.00 H new ATOM 0 HG13 VAL A 584 -2.921 -17.644 5.271 1.00 0.00 H new ATOM 0 HG21 VAL A 584 -3.193 -19.229 7.963 1.00 0.00 H new ATOM 0 HG22 VAL A 584 -3.510 -19.983 6.382 1.00 0.00 H new ATOM 0 HG23 VAL A 584 -2.311 -20.700 7.486 1.00 0.00 H new ATOM 575 N PRO A 585 0.524 -18.497 3.563 1.00 0.00 N ATOM 576 CA PRO A 585 1.564 -17.543 3.114 1.00 0.00 C ATOM 577 C PRO A 585 1.049 -16.074 3.094 1.00 0.00 C ATOM 578 O PRO A 585 -0.159 -15.819 2.960 1.00 0.00 O ATOM 579 CB PRO A 585 1.880 -18.062 1.698 1.00 0.00 C ATOM 580 CG PRO A 585 0.562 -18.580 1.187 1.00 0.00 C ATOM 581 CD PRO A 585 -0.191 -19.104 2.402 1.00 0.00 C ATOM 0 HA PRO A 585 2.432 -17.504 3.773 1.00 0.00 H new ATOM 0 HB2 PRO A 585 2.269 -17.267 1.061 1.00 0.00 H new ATOM 0 HB3 PRO A 585 2.634 -18.849 1.722 1.00 0.00 H new ATOM 0 HG2 PRO A 585 -0.001 -17.789 0.692 1.00 0.00 H new ATOM 0 HG3 PRO A 585 0.713 -19.371 0.452 1.00 0.00 H new ATOM 0 HD2 PRO A 585 -1.239 -18.807 2.380 1.00 0.00 H new ATOM 0 HD3 PRO A 585 -0.169 -20.193 2.445 1.00 0.00 H new ATOM 589 N GLY A 586 1.987 -15.118 3.253 1.00 0.00 N ATOM 590 CA GLY A 586 1.679 -13.677 3.199 1.00 0.00 C ATOM 591 C GLY A 586 1.146 -13.098 4.514 1.00 0.00 C ATOM 592 O GLY A 586 0.860 -11.895 4.596 1.00 0.00 O ATOM 0 H GLY A 586 2.972 -15.322 3.421 1.00 0.00 H new ATOM 0 HA2 GLY A 586 2.581 -13.135 2.916 1.00 0.00 H new ATOM 0 HA3 GLY A 586 0.943 -13.504 2.414 1.00 0.00 H new ATOM 596 N ARG A 587 1.007 -13.951 5.542 1.00 0.00 N ATOM 597 CA ARG A 587 0.533 -13.550 6.882 1.00 0.00 C ATOM 598 C ARG A 587 1.507 -14.066 7.945 1.00 0.00 C ATOM 599 O ARG A 587 1.929 -15.226 7.882 1.00 0.00 O ATOM 600 CB ARG A 587 -0.891 -14.122 7.149 1.00 0.00 C ATOM 601 CG ARG A 587 -1.988 -13.662 6.150 1.00 0.00 C ATOM 602 CD ARG A 587 -2.280 -12.159 6.235 1.00 0.00 C ATOM 603 NE ARG A 587 -3.202 -11.696 5.175 1.00 0.00 N ATOM 604 CZ ARG A 587 -2.857 -10.898 4.143 1.00 0.00 C ATOM 605 NH1 ARG A 587 -1.597 -10.522 3.949 1.00 0.00 N ATOM 606 NH2 ARG A 587 -3.780 -10.498 3.286 1.00 0.00 N ATOM 0 H ARG A 587 1.221 -14.946 5.469 1.00 0.00 H new ATOM 0 HA ARG A 587 0.485 -12.462 6.929 1.00 0.00 H new ATOM 0 HB2 ARG A 587 -0.837 -15.210 7.129 1.00 0.00 H new ATOM 0 HB3 ARG A 587 -1.197 -13.837 8.156 1.00 0.00 H new ATOM 0 HG2 ARG A 587 -1.675 -13.909 5.136 1.00 0.00 H new ATOM 0 HG3 ARG A 587 -2.906 -14.217 6.345 1.00 0.00 H new ATOM 0 HD2 ARG A 587 -2.710 -11.931 7.210 1.00 0.00 H new ATOM 0 HD3 ARG A 587 -1.343 -11.606 6.163 1.00 0.00 H new ATOM 0 HE ARG A 587 -4.173 -12.004 5.228 1.00 0.00 H new ATOM 0 HH11 ARG A 587 -0.867 -10.837 4.587 1.00 0.00 H new ATOM 0 HH12 ARG A 587 -1.360 -9.918 3.162 1.00 0.00 H new ATOM 0 HH21 ARG A 587 -4.749 -10.792 3.406 1.00 0.00 H new ATOM 0 HH22 ARG A 587 -3.523 -9.895 2.505 1.00 0.00 H new ATOM 620 N THR A 588 1.875 -13.199 8.907 1.00 0.00 N ATOM 621 CA THR A 588 2.700 -13.604 10.051 1.00 0.00 C ATOM 622 C THR A 588 1.803 -14.235 11.129 1.00 0.00 C ATOM 623 O THR A 588 0.575 -14.057 11.119 1.00 0.00 O ATOM 624 CB THR A 588 3.516 -12.408 10.646 1.00 0.00 C ATOM 625 OG1 THR A 588 2.628 -11.459 11.245 1.00 0.00 O ATOM 626 CG2 THR A 588 4.373 -11.702 9.578 1.00 0.00 C ATOM 0 H THR A 588 1.612 -12.214 8.911 1.00 0.00 H new ATOM 0 HA THR A 588 3.426 -14.337 9.700 1.00 0.00 H new ATOM 0 HB THR A 588 4.189 -12.819 11.399 1.00 0.00 H new ATOM 0 HG1 THR A 588 1.875 -11.289 10.641 1.00 0.00 H new ATOM 0 HG21 THR A 588 4.921 -10.879 10.037 1.00 0.00 H new ATOM 0 HG22 THR A 588 5.079 -12.414 9.149 1.00 0.00 H new ATOM 0 HG23 THR A 588 3.726 -11.313 8.791 1.00 0.00 H new ATOM 634 N LYS A 589 2.419 -14.969 12.057 1.00 0.00 N ATOM 635 CA LYS A 589 1.685 -15.758 13.052 1.00 0.00 C ATOM 636 C LYS A 589 0.965 -14.860 14.062 1.00 0.00 C ATOM 637 O LYS A 589 -0.053 -15.271 14.609 1.00 0.00 O ATOM 638 CB LYS A 589 2.616 -16.783 13.750 1.00 0.00 C ATOM 639 CG LYS A 589 2.934 -18.083 12.940 1.00 0.00 C ATOM 640 CD LYS A 589 3.696 -17.855 11.601 1.00 0.00 C ATOM 641 CE LYS A 589 2.782 -17.576 10.374 1.00 0.00 C ATOM 642 NZ LYS A 589 3.569 -17.231 9.164 1.00 0.00 N ATOM 0 H LYS A 589 3.433 -15.034 12.142 1.00 0.00 H new ATOM 0 HA LYS A 589 0.916 -16.323 12.526 1.00 0.00 H new ATOM 0 HB2 LYS A 589 3.557 -16.287 13.987 1.00 0.00 H new ATOM 0 HB3 LYS A 589 2.161 -17.071 14.697 1.00 0.00 H new ATOM 0 HG2 LYS A 589 3.526 -18.749 13.568 1.00 0.00 H new ATOM 0 HG3 LYS A 589 1.997 -18.597 12.724 1.00 0.00 H new ATOM 0 HD2 LYS A 589 4.380 -17.016 11.726 1.00 0.00 H new ATOM 0 HD3 LYS A 589 4.305 -18.734 11.391 1.00 0.00 H new ATOM 0 HE2 LYS A 589 2.170 -18.454 10.170 1.00 0.00 H new ATOM 0 HE3 LYS A 589 2.099 -16.759 10.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 589 3.058 -16.514 8.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 589 4.496 -16.854 9.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 589 3.705 -18.083 8.584 1.00 0.00 H new ATOM 656 N LYS A 590 1.459 -13.617 14.266 1.00 0.00 N ATOM 657 CA LYS A 590 0.765 -12.642 15.127 1.00 0.00 C ATOM 658 C LYS A 590 -0.572 -12.218 14.478 1.00 0.00 C ATOM 659 O LYS A 590 -1.519 -11.898 15.187 1.00 0.00 O ATOM 660 CB LYS A 590 1.688 -11.428 15.484 1.00 0.00 C ATOM 661 CG LYS A 590 2.073 -10.441 14.342 1.00 0.00 C ATOM 662 CD LYS A 590 1.016 -9.332 14.087 1.00 0.00 C ATOM 663 CE LYS A 590 1.471 -8.297 13.044 1.00 0.00 C ATOM 664 NZ LYS A 590 1.805 -8.899 11.730 1.00 0.00 N ATOM 0 H LYS A 590 2.324 -13.272 13.851 1.00 0.00 H new ATOM 0 HA LYS A 590 0.526 -13.118 16.078 1.00 0.00 H new ATOM 0 HB2 LYS A 590 1.196 -10.854 16.269 1.00 0.00 H new ATOM 0 HB3 LYS A 590 2.611 -11.824 15.909 1.00 0.00 H new ATOM 0 HG2 LYS A 590 3.026 -9.972 14.586 1.00 0.00 H new ATOM 0 HG3 LYS A 590 2.222 -11.006 13.422 1.00 0.00 H new ATOM 0 HD2 LYS A 590 0.087 -9.793 13.752 1.00 0.00 H new ATOM 0 HD3 LYS A 590 0.798 -8.822 15.026 1.00 0.00 H new ATOM 0 HE2 LYS A 590 0.682 -7.557 12.907 1.00 0.00 H new ATOM 0 HE3 LYS A 590 2.343 -7.766 13.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 590 2.679 -8.470 11.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 590 1.943 -9.924 11.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 590 1.027 -8.726 11.061 1.00 0.00 H new ATOM 678 N ASP A 591 -0.633 -12.234 13.118 1.00 0.00 N ATOM 679 CA ASP A 591 -1.888 -11.976 12.365 1.00 0.00 C ATOM 680 C ASP A 591 -2.835 -13.169 12.522 1.00 0.00 C ATOM 681 O ASP A 591 -4.051 -12.994 12.608 1.00 0.00 O ATOM 682 CB ASP A 591 -1.651 -11.756 10.844 1.00 0.00 C ATOM 683 CG ASP A 591 -0.769 -10.551 10.512 1.00 0.00 C ATOM 684 OD1 ASP A 591 -1.086 -9.431 10.958 1.00 0.00 O ATOM 685 OD2 ASP A 591 0.255 -10.717 9.819 1.00 0.00 O ATOM 0 H ASP A 591 0.174 -12.423 12.523 1.00 0.00 H new ATOM 0 HA ASP A 591 -2.314 -11.063 12.780 1.00 0.00 H new ATOM 0 HB2 ASP A 591 -1.193 -12.653 10.426 1.00 0.00 H new ATOM 0 HB3 ASP A 591 -2.616 -11.632 10.352 1.00 0.00 H new ATOM 690 N CYS A 592 -2.252 -14.383 12.497 1.00 0.00 N ATOM 691 CA CYS A 592 -2.995 -15.654 12.624 1.00 0.00 C ATOM 692 C CYS A 592 -3.678 -15.772 14.002 1.00 0.00 C ATOM 693 O CYS A 592 -4.820 -16.226 14.106 1.00 0.00 O ATOM 694 CB CYS A 592 -2.034 -16.839 12.381 1.00 0.00 C ATOM 695 SG CYS A 592 -1.184 -16.786 10.786 1.00 0.00 S ATOM 0 H CYS A 592 -1.246 -14.511 12.387 1.00 0.00 H new ATOM 0 HA CYS A 592 -3.784 -15.673 11.872 1.00 0.00 H new ATOM 0 HB2 CYS A 592 -1.289 -16.858 13.177 1.00 0.00 H new ATOM 0 HB3 CYS A 592 -2.597 -17.770 12.449 1.00 0.00 H new ATOM 0 HG CYS A 592 -0.419 -15.736 10.737 1.00 0.00 H new ATOM 701 N MET A 593 -2.957 -15.325 15.041 1.00 0.00 N ATOM 702 CA MET A 593 -3.423 -15.350 16.447 1.00 0.00 C ATOM 703 C MET A 593 -4.431 -14.224 16.698 1.00 0.00 C ATOM 704 O MET A 593 -5.429 -14.422 17.393 1.00 0.00 O ATOM 705 CB MET A 593 -2.218 -15.184 17.404 1.00 0.00 C ATOM 706 CG MET A 593 -1.157 -16.272 17.276 1.00 0.00 C ATOM 707 SD MET A 593 0.323 -15.904 18.237 1.00 0.00 S ATOM 708 CE MET A 593 1.508 -16.997 17.460 1.00 0.00 C ATOM 0 H MET A 593 -2.023 -14.930 14.934 1.00 0.00 H new ATOM 0 HA MET A 593 -3.908 -16.308 16.633 1.00 0.00 H new ATOM 0 HB2 MET A 593 -1.753 -14.216 17.218 1.00 0.00 H new ATOM 0 HB3 MET A 593 -2.584 -15.170 18.431 1.00 0.00 H new ATOM 0 HG2 MET A 593 -1.574 -17.223 17.606 1.00 0.00 H new ATOM 0 HG3 MET A 593 -0.886 -16.390 16.227 1.00 0.00 H new ATOM 0 HE1 MET A 593 1.899 -17.695 18.200 1.00 0.00 H new ATOM 0 HE2 MET A 593 1.020 -17.552 16.659 1.00 0.00 H new ATOM 0 HE3 MET A 593 2.328 -16.410 17.047 1.00 0.00 H new ATOM 718 N LYS A 594 -4.118 -13.037 16.140 1.00 0.00 N ATOM 719 CA LYS A 594 -4.992 -11.848 16.198 1.00 0.00 C ATOM 720 C LYS A 594 -6.353 -12.192 15.598 1.00 0.00 C ATOM 721 O LYS A 594 -7.384 -11.961 16.222 1.00 0.00 O ATOM 722 CB LYS A 594 -4.330 -10.647 15.444 1.00 0.00 C ATOM 723 CG LYS A 594 -5.034 -9.261 15.566 1.00 0.00 C ATOM 724 CD LYS A 594 -6.231 -9.058 14.598 1.00 0.00 C ATOM 725 CE LYS A 594 -6.859 -7.659 14.721 1.00 0.00 C ATOM 726 NZ LYS A 594 -7.317 -7.358 16.107 1.00 0.00 N ATOM 0 H LYS A 594 -3.247 -12.876 15.634 1.00 0.00 H new ATOM 0 HA LYS A 594 -5.132 -11.549 17.237 1.00 0.00 H new ATOM 0 HB2 LYS A 594 -3.308 -10.541 15.807 1.00 0.00 H new ATOM 0 HB3 LYS A 594 -4.268 -10.904 14.386 1.00 0.00 H new ATOM 0 HG2 LYS A 594 -5.386 -9.136 16.590 1.00 0.00 H new ATOM 0 HG3 LYS A 594 -4.299 -8.477 15.384 1.00 0.00 H new ATOM 0 HD2 LYS A 594 -5.895 -9.213 13.573 1.00 0.00 H new ATOM 0 HD3 LYS A 594 -6.991 -9.813 14.802 1.00 0.00 H new ATOM 0 HE2 LYS A 594 -6.131 -6.909 14.412 1.00 0.00 H new ATOM 0 HE3 LYS A 594 -7.705 -7.583 14.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 594 -8.181 -6.781 16.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 594 -7.516 -8.248 16.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 594 -6.573 -6.835 16.613 1.00 0.00 H new ATOM 740 N ARG A 595 -6.327 -12.787 14.393 1.00 0.00 N ATOM 741 CA ARG A 595 -7.545 -13.118 13.646 1.00 0.00 C ATOM 742 C ARG A 595 -8.331 -14.207 14.387 1.00 0.00 C ATOM 743 O ARG A 595 -9.538 -14.092 14.525 1.00 0.00 O ATOM 744 CB ARG A 595 -7.231 -13.562 12.188 1.00 0.00 C ATOM 745 CG ARG A 595 -8.486 -13.681 11.283 1.00 0.00 C ATOM 746 CD ARG A 595 -9.253 -12.347 11.174 1.00 0.00 C ATOM 747 NE ARG A 595 -10.525 -12.492 10.441 1.00 0.00 N ATOM 748 CZ ARG A 595 -11.758 -12.324 10.962 1.00 0.00 C ATOM 749 NH1 ARG A 595 -11.929 -12.028 12.244 1.00 0.00 N ATOM 750 NH2 ARG A 595 -12.821 -12.468 10.182 1.00 0.00 N ATOM 0 H ARG A 595 -5.465 -13.049 13.915 1.00 0.00 H new ATOM 0 HA ARG A 595 -8.154 -12.216 13.581 1.00 0.00 H new ATOM 0 HB2 ARG A 595 -6.540 -12.847 11.742 1.00 0.00 H new ATOM 0 HB3 ARG A 595 -6.721 -14.525 12.214 1.00 0.00 H new ATOM 0 HG2 ARG A 595 -8.185 -14.008 10.288 1.00 0.00 H new ATOM 0 HG3 ARG A 595 -9.149 -14.448 11.683 1.00 0.00 H new ATOM 0 HD2 ARG A 595 -9.454 -11.963 12.174 1.00 0.00 H new ATOM 0 HD3 ARG A 595 -8.627 -11.611 10.670 1.00 0.00 H new ATOM 0 HE ARG A 595 -10.467 -12.741 9.454 1.00 0.00 H new ATOM 0 HH11 ARG A 595 -11.119 -11.923 12.856 1.00 0.00 H new ATOM 0 HH12 ARG A 595 -12.870 -11.905 12.618 1.00 0.00 H new ATOM 0 HH21 ARG A 595 -12.702 -12.704 9.197 1.00 0.00 H new ATOM 0 HH22 ARG A 595 -13.757 -12.343 10.567 1.00 0.00 H new ATOM 764 N TYR A 596 -7.608 -15.228 14.891 1.00 0.00 N ATOM 765 CA TYR A 596 -8.197 -16.337 15.681 1.00 0.00 C ATOM 766 C TYR A 596 -8.911 -15.811 16.940 1.00 0.00 C ATOM 767 O TYR A 596 -9.969 -16.314 17.312 1.00 0.00 O ATOM 768 CB TYR A 596 -7.105 -17.364 16.063 1.00 0.00 C ATOM 769 CG TYR A 596 -7.592 -18.565 16.891 1.00 0.00 C ATOM 770 CD1 TYR A 596 -8.572 -19.427 16.397 1.00 0.00 C ATOM 771 CD2 TYR A 596 -7.060 -18.848 18.152 1.00 0.00 C ATOM 772 CE1 TYR A 596 -9.008 -20.517 17.123 1.00 0.00 C ATOM 773 CE2 TYR A 596 -7.490 -19.940 18.883 1.00 0.00 C ATOM 774 CZ TYR A 596 -8.463 -20.774 18.364 1.00 0.00 C ATOM 775 OH TYR A 596 -8.880 -21.880 19.082 1.00 0.00 O ATOM 0 H TYR A 596 -6.599 -15.310 14.764 1.00 0.00 H new ATOM 0 HA TYR A 596 -8.943 -16.833 15.060 1.00 0.00 H new ATOM 0 HB2 TYR A 596 -6.645 -17.737 15.148 1.00 0.00 H new ATOM 0 HB3 TYR A 596 -6.326 -16.849 16.625 1.00 0.00 H new ATOM 0 HD1 TYR A 596 -8.999 -19.237 15.424 1.00 0.00 H new ATOM 0 HD2 TYR A 596 -6.299 -18.202 18.563 1.00 0.00 H new ATOM 0 HE1 TYR A 596 -9.772 -21.166 16.721 1.00 0.00 H new ATOM 0 HE2 TYR A 596 -7.067 -20.141 19.856 1.00 0.00 H new ATOM 0 HH TYR A 596 -8.398 -21.918 19.934 1.00 0.00 H new ATOM 785 N LYS A 597 -8.320 -14.784 17.562 1.00 0.00 N ATOM 786 CA LYS A 597 -8.910 -14.071 18.712 1.00 0.00 C ATOM 787 C LYS A 597 -10.255 -13.445 18.313 1.00 0.00 C ATOM 788 O LYS A 597 -11.262 -13.619 19.011 1.00 0.00 O ATOM 789 CB LYS A 597 -7.918 -12.986 19.213 1.00 0.00 C ATOM 790 CG LYS A 597 -8.502 -11.926 20.180 1.00 0.00 C ATOM 791 CD LYS A 597 -7.477 -10.819 20.519 1.00 0.00 C ATOM 792 CE LYS A 597 -8.114 -9.622 21.243 1.00 0.00 C ATOM 793 NZ LYS A 597 -9.107 -8.921 20.381 1.00 0.00 N ATOM 0 H LYS A 597 -7.410 -14.418 17.282 1.00 0.00 H new ATOM 0 HA LYS A 597 -9.094 -14.776 19.523 1.00 0.00 H new ATOM 0 HB2 LYS A 597 -7.087 -13.485 19.711 1.00 0.00 H new ATOM 0 HB3 LYS A 597 -7.507 -12.470 18.346 1.00 0.00 H new ATOM 0 HG2 LYS A 597 -9.387 -11.475 19.731 1.00 0.00 H new ATOM 0 HG3 LYS A 597 -8.825 -12.414 21.100 1.00 0.00 H new ATOM 0 HD2 LYS A 597 -6.689 -11.239 21.144 1.00 0.00 H new ATOM 0 HD3 LYS A 597 -7.005 -10.473 19.600 1.00 0.00 H new ATOM 0 HE2 LYS A 597 -8.602 -9.966 22.155 1.00 0.00 H new ATOM 0 HE3 LYS A 597 -7.335 -8.922 21.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 597 -9.089 -7.902 20.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 597 -8.868 -9.075 19.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 597 -10.058 -9.296 20.572 1.00 0.00 H new ATOM 807 N GLU A 598 -10.256 -12.750 17.154 1.00 0.00 N ATOM 808 CA GLU A 598 -11.461 -12.090 16.615 1.00 0.00 C ATOM 809 C GLU A 598 -12.549 -13.139 16.298 1.00 0.00 C ATOM 810 O GLU A 598 -13.726 -12.898 16.529 1.00 0.00 O ATOM 811 CB GLU A 598 -11.154 -11.291 15.320 1.00 0.00 C ATOM 812 CG GLU A 598 -9.929 -10.362 15.362 1.00 0.00 C ATOM 813 CD GLU A 598 -9.961 -9.321 16.488 1.00 0.00 C ATOM 814 OE1 GLU A 598 -10.671 -8.308 16.338 1.00 0.00 O ATOM 815 OE2 GLU A 598 -9.258 -9.493 17.511 1.00 0.00 O ATOM 0 H GLU A 598 -9.427 -12.632 16.571 1.00 0.00 H new ATOM 0 HA GLU A 598 -11.812 -11.397 17.379 1.00 0.00 H new ATOM 0 HB2 GLU A 598 -11.016 -12.002 14.505 1.00 0.00 H new ATOM 0 HB3 GLU A 598 -12.030 -10.690 15.074 1.00 0.00 H new ATOM 0 HG2 GLU A 598 -9.031 -10.970 15.471 1.00 0.00 H new ATOM 0 HG3 GLU A 598 -9.849 -9.843 14.407 1.00 0.00 H new ATOM 822 N LEU A 599 -12.113 -14.304 15.760 1.00 0.00 N ATOM 823 CA LEU A 599 -13.001 -15.416 15.345 1.00 0.00 C ATOM 824 C LEU A 599 -13.737 -16.007 16.560 1.00 0.00 C ATOM 825 O LEU A 599 -14.956 -16.191 16.523 1.00 0.00 O ATOM 826 CB LEU A 599 -12.183 -16.532 14.627 1.00 0.00 C ATOM 827 CG LEU A 599 -11.503 -16.126 13.279 1.00 0.00 C ATOM 828 CD1 LEU A 599 -10.514 -17.205 12.795 1.00 0.00 C ATOM 829 CD2 LEU A 599 -12.547 -15.798 12.191 1.00 0.00 C ATOM 0 H LEU A 599 -11.125 -14.499 15.601 1.00 0.00 H new ATOM 0 HA LEU A 599 -13.739 -15.016 14.649 1.00 0.00 H new ATOM 0 HB2 LEU A 599 -11.409 -16.883 15.310 1.00 0.00 H new ATOM 0 HB3 LEU A 599 -12.847 -17.375 14.436 1.00 0.00 H new ATOM 0 HG LEU A 599 -10.932 -15.218 13.470 1.00 0.00 H new ATOM 0 HD11 LEU A 599 -10.061 -16.888 11.856 1.00 0.00 H new ATOM 0 HD12 LEU A 599 -9.735 -17.347 13.544 1.00 0.00 H new ATOM 0 HD13 LEU A 599 -11.046 -18.144 12.643 1.00 0.00 H new ATOM 0 HD21 LEU A 599 -12.037 -15.520 11.269 1.00 0.00 H new ATOM 0 HD22 LEU A 599 -13.172 -16.673 12.011 1.00 0.00 H new ATOM 0 HD23 LEU A 599 -13.171 -14.969 12.524 1.00 0.00 H new ATOM 841 N VAL A 600 -12.964 -16.278 17.633 1.00 0.00 N ATOM 842 CA VAL A 600 -13.494 -16.804 18.907 1.00 0.00 C ATOM 843 C VAL A 600 -14.539 -15.834 19.489 1.00 0.00 C ATOM 844 O VAL A 600 -15.664 -16.236 19.790 1.00 0.00 O ATOM 845 CB VAL A 600 -12.335 -17.059 19.951 1.00 0.00 C ATOM 846 CG1 VAL A 600 -12.888 -17.407 21.360 1.00 0.00 C ATOM 847 CG2 VAL A 600 -11.374 -18.175 19.458 1.00 0.00 C ATOM 0 H VAL A 600 -11.954 -16.138 17.639 1.00 0.00 H new ATOM 0 HA VAL A 600 -13.974 -17.761 18.703 1.00 0.00 H new ATOM 0 HB VAL A 600 -11.774 -16.128 20.035 1.00 0.00 H new ATOM 0 HG11 VAL A 600 -12.057 -17.574 22.046 1.00 0.00 H new ATOM 0 HG12 VAL A 600 -13.499 -16.582 21.725 1.00 0.00 H new ATOM 0 HG13 VAL A 600 -13.496 -18.310 21.299 1.00 0.00 H new ATOM 0 HG21 VAL A 600 -10.587 -18.329 20.196 1.00 0.00 H new ATOM 0 HG22 VAL A 600 -11.932 -19.102 19.323 1.00 0.00 H new ATOM 0 HG23 VAL A 600 -10.928 -17.878 18.509 1.00 0.00 H new ATOM 857 N GLU A 601 -14.161 -14.547 19.574 1.00 0.00 N ATOM 858 CA GLU A 601 -15.016 -13.493 20.146 1.00 0.00 C ATOM 859 C GLU A 601 -16.288 -13.261 19.310 1.00 0.00 C ATOM 860 O GLU A 601 -17.367 -13.072 19.871 1.00 0.00 O ATOM 861 CB GLU A 601 -14.221 -12.169 20.310 1.00 0.00 C ATOM 862 CG GLU A 601 -13.069 -12.235 21.334 1.00 0.00 C ATOM 863 CD GLU A 601 -12.417 -10.865 21.581 1.00 0.00 C ATOM 864 OE1 GLU A 601 -11.572 -10.438 20.766 1.00 0.00 O ATOM 865 OE2 GLU A 601 -12.772 -10.194 22.578 1.00 0.00 O ATOM 0 H GLU A 601 -13.255 -14.209 19.249 1.00 0.00 H new ATOM 0 HA GLU A 601 -15.334 -13.836 21.131 1.00 0.00 H new ATOM 0 HB2 GLU A 601 -13.812 -11.883 19.341 1.00 0.00 H new ATOM 0 HB3 GLU A 601 -14.911 -11.381 20.610 1.00 0.00 H new ATOM 0 HG2 GLU A 601 -13.449 -12.628 22.277 1.00 0.00 H new ATOM 0 HG3 GLU A 601 -12.312 -12.935 20.979 1.00 0.00 H new ATOM 872 N MET A 602 -16.167 -13.317 17.967 1.00 0.00 N ATOM 873 CA MET A 602 -17.290 -12.976 17.072 1.00 0.00 C ATOM 874 C MET A 602 -18.287 -14.137 16.965 1.00 0.00 C ATOM 875 O MET A 602 -19.478 -13.893 16.791 1.00 0.00 O ATOM 876 CB MET A 602 -16.806 -12.530 15.654 1.00 0.00 C ATOM 877 CG MET A 602 -16.329 -13.647 14.711 1.00 0.00 C ATOM 878 SD MET A 602 -15.760 -13.027 13.105 1.00 0.00 S ATOM 879 CE MET A 602 -17.214 -12.159 12.502 1.00 0.00 C ATOM 0 H MET A 602 -15.312 -13.592 17.484 1.00 0.00 H new ATOM 0 HA MET A 602 -17.800 -12.124 17.521 1.00 0.00 H new ATOM 0 HB2 MET A 602 -17.622 -11.997 15.167 1.00 0.00 H new ATOM 0 HB3 MET A 602 -15.990 -11.818 15.780 1.00 0.00 H new ATOM 0 HG2 MET A 602 -15.518 -14.197 15.189 1.00 0.00 H new ATOM 0 HG3 MET A 602 -17.144 -14.354 14.553 1.00 0.00 H new ATOM 0 HE1 MET A 602 -17.128 -12.009 11.426 1.00 0.00 H new ATOM 0 HE2 MET A 602 -18.105 -12.749 12.716 1.00 0.00 H new ATOM 0 HE3 MET A 602 -17.292 -11.192 12.998 1.00 0.00 H new ATOM 889 N VAL A 603 -17.804 -15.399 17.090 1.00 0.00 N ATOM 890 CA VAL A 603 -18.673 -16.585 16.954 1.00 0.00 C ATOM 891 C VAL A 603 -19.487 -16.811 18.245 1.00 0.00 C ATOM 892 O VAL A 603 -20.657 -17.198 18.181 1.00 0.00 O ATOM 893 CB VAL A 603 -17.874 -17.896 16.552 1.00 0.00 C ATOM 894 CG1 VAL A 603 -16.944 -18.413 17.684 1.00 0.00 C ATOM 895 CG2 VAL A 603 -18.837 -19.018 16.072 1.00 0.00 C ATOM 0 H VAL A 603 -16.826 -15.616 17.283 1.00 0.00 H new ATOM 0 HA VAL A 603 -19.359 -16.379 16.133 1.00 0.00 H new ATOM 0 HB VAL A 603 -17.227 -17.614 15.721 1.00 0.00 H new ATOM 0 HG11 VAL A 603 -16.426 -19.311 17.348 1.00 0.00 H new ATOM 0 HG12 VAL A 603 -16.213 -17.644 17.934 1.00 0.00 H new ATOM 0 HG13 VAL A 603 -17.540 -18.647 18.566 1.00 0.00 H new ATOM 0 HG21 VAL A 603 -18.260 -19.903 15.804 1.00 0.00 H new ATOM 0 HG22 VAL A 603 -19.533 -19.268 16.873 1.00 0.00 H new ATOM 0 HG23 VAL A 603 -19.395 -18.671 15.202 1.00 0.00 H new ATOM 905 N LYS A 604 -18.863 -16.534 19.413 1.00 0.00 N ATOM 906 CA LYS A 604 -19.510 -16.714 20.727 1.00 0.00 C ATOM 907 C LYS A 604 -20.515 -15.580 21.003 1.00 0.00 C ATOM 908 O LYS A 604 -21.565 -15.810 21.605 1.00 0.00 O ATOM 909 CB LYS A 604 -18.448 -16.811 21.865 1.00 0.00 C ATOM 910 CG LYS A 604 -17.623 -15.525 22.109 1.00 0.00 C ATOM 911 CD LYS A 604 -16.510 -15.694 23.177 1.00 0.00 C ATOM 912 CE LYS A 604 -17.070 -15.953 24.584 1.00 0.00 C ATOM 913 NZ LYS A 604 -17.871 -14.801 25.081 1.00 0.00 N ATOM 0 H LYS A 604 -17.907 -16.183 19.469 1.00 0.00 H new ATOM 0 HA LYS A 604 -20.061 -17.654 20.705 1.00 0.00 H new ATOM 0 HB2 LYS A 604 -18.956 -17.079 22.792 1.00 0.00 H new ATOM 0 HB3 LYS A 604 -17.762 -17.625 21.631 1.00 0.00 H new ATOM 0 HG2 LYS A 604 -17.169 -15.211 21.169 1.00 0.00 H new ATOM 0 HG3 LYS A 604 -18.295 -14.726 22.420 1.00 0.00 H new ATOM 0 HD2 LYS A 604 -15.861 -16.522 22.891 1.00 0.00 H new ATOM 0 HD3 LYS A 604 -15.892 -14.796 23.196 1.00 0.00 H new ATOM 0 HE2 LYS A 604 -17.692 -16.848 24.569 1.00 0.00 H new ATOM 0 HE3 LYS A 604 -16.248 -16.148 25.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 604 -18.089 -14.938 26.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 604 -17.327 -13.923 24.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 604 -18.758 -14.736 24.541 1.00 0.00 H new ATOM 927 N ALA A 605 -20.185 -14.354 20.532 1.00 0.00 N ATOM 928 CA ALA A 605 -21.055 -13.166 20.683 1.00 0.00 C ATOM 929 C ALA A 605 -22.264 -13.256 19.737 1.00 0.00 C ATOM 930 O ALA A 605 -23.371 -12.832 20.090 1.00 0.00 O ATOM 931 CB ALA A 605 -20.260 -11.878 20.423 1.00 0.00 C ATOM 0 H ALA A 605 -19.313 -14.162 20.039 1.00 0.00 H new ATOM 0 HA ALA A 605 -21.424 -13.140 21.708 1.00 0.00 H new ATOM 0 HB1 ALA A 605 -20.916 -11.016 20.539 1.00 0.00 H new ATOM 0 HB2 ALA A 605 -19.439 -11.807 21.136 1.00 0.00 H new ATOM 0 HB3 ALA A 605 -19.860 -11.896 19.409 1.00 0.00 H new ATOM 937 N LYS A 606 -22.024 -13.809 18.534 1.00 0.00 N ATOM 938 CA LYS A 606 -23.077 -14.066 17.536 1.00 0.00 C ATOM 939 C LYS A 606 -24.046 -15.133 18.063 1.00 0.00 C ATOM 940 O LYS A 606 -25.268 -14.967 18.001 1.00 0.00 O ATOM 941 CB LYS A 606 -22.428 -14.525 16.205 1.00 0.00 C ATOM 942 CG LYS A 606 -23.412 -14.936 15.086 1.00 0.00 C ATOM 943 CD LYS A 606 -22.680 -15.414 13.809 1.00 0.00 C ATOM 944 CE LYS A 606 -23.649 -15.913 12.725 1.00 0.00 C ATOM 945 NZ LYS A 606 -24.565 -14.843 12.248 1.00 0.00 N ATOM 0 H LYS A 606 -21.093 -14.090 18.227 1.00 0.00 H new ATOM 0 HA LYS A 606 -23.640 -13.150 17.354 1.00 0.00 H new ATOM 0 HB2 LYS A 606 -21.799 -13.717 15.831 1.00 0.00 H new ATOM 0 HB3 LYS A 606 -21.772 -15.370 16.415 1.00 0.00 H new ATOM 0 HG2 LYS A 606 -24.061 -15.732 15.450 1.00 0.00 H new ATOM 0 HG3 LYS A 606 -24.053 -14.090 14.840 1.00 0.00 H new ATOM 0 HD2 LYS A 606 -22.083 -14.595 13.408 1.00 0.00 H new ATOM 0 HD3 LYS A 606 -21.988 -16.215 14.069 1.00 0.00 H new ATOM 0 HE2 LYS A 606 -23.078 -16.301 11.882 1.00 0.00 H new ATOM 0 HE3 LYS A 606 -24.237 -16.741 13.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 606 -25.164 -15.214 11.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 606 -25.166 -14.524 13.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 606 -24.007 -14.041 11.892 1.00 0.00 H new ATOM 959 N LYS A 607 -23.463 -16.218 18.606 1.00 0.00 N ATOM 960 CA LYS A 607 -24.218 -17.338 19.187 1.00 0.00 C ATOM 961 C LYS A 607 -25.008 -16.869 20.421 1.00 0.00 C ATOM 962 O LYS A 607 -26.125 -17.304 20.633 1.00 0.00 O ATOM 963 CB LYS A 607 -23.259 -18.511 19.547 1.00 0.00 C ATOM 964 CG LYS A 607 -23.959 -19.786 20.079 1.00 0.00 C ATOM 965 CD LYS A 607 -22.974 -20.961 20.309 1.00 0.00 C ATOM 966 CE LYS A 607 -23.681 -22.226 20.829 1.00 0.00 C ATOM 967 NZ LYS A 607 -22.750 -23.380 20.947 1.00 0.00 N ATOM 0 H LYS A 607 -22.451 -16.340 18.653 1.00 0.00 H new ATOM 0 HA LYS A 607 -24.932 -17.701 18.447 1.00 0.00 H new ATOM 0 HB2 LYS A 607 -22.682 -18.774 18.661 1.00 0.00 H new ATOM 0 HB3 LYS A 607 -22.549 -18.164 20.298 1.00 0.00 H new ATOM 0 HG2 LYS A 607 -24.465 -19.553 21.016 1.00 0.00 H new ATOM 0 HG3 LYS A 607 -24.727 -20.095 19.371 1.00 0.00 H new ATOM 0 HD2 LYS A 607 -22.463 -21.192 19.374 1.00 0.00 H new ATOM 0 HD3 LYS A 607 -22.209 -20.656 21.023 1.00 0.00 H new ATOM 0 HE2 LYS A 607 -24.125 -22.018 21.803 1.00 0.00 H new ATOM 0 HE3 LYS A 607 -24.497 -22.487 20.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 607 -23.268 -24.209 21.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 607 -22.345 -23.596 20.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 607 -21.984 -23.142 21.610 1.00 0.00 H new ATOM 981 N ALA A 608 -24.427 -15.951 21.208 1.00 0.00 N ATOM 982 CA ALA A 608 -25.087 -15.395 22.405 1.00 0.00 C ATOM 983 C ALA A 608 -26.303 -14.528 22.020 1.00 0.00 C ATOM 984 O ALA A 608 -27.402 -14.699 22.559 1.00 0.00 O ATOM 985 CB ALA A 608 -24.084 -14.583 23.240 1.00 0.00 C ATOM 0 H ALA A 608 -23.495 -15.574 21.037 1.00 0.00 H new ATOM 0 HA ALA A 608 -25.450 -16.227 23.008 1.00 0.00 H new ATOM 0 HB1 ALA A 608 -24.586 -14.179 24.120 1.00 0.00 H new ATOM 0 HB2 ALA A 608 -23.265 -15.230 23.554 1.00 0.00 H new ATOM 0 HB3 ALA A 608 -23.690 -13.764 22.639 1.00 0.00 H new