USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 486 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 564 GLN :FLIP amide:sc=-0.00433 F(o=0.41,f=1) USER MOD Set 1.2: A 568 THR OG1 : rot 73:sc= 1.01 USER MOD Single : A 555 THR OG1 : rot -56:sc= 0.165 USER MOD Single : A 556 THR OG1 : rot 180:sc= 0 USER MOD Single : A 559 GLN : amide:sc= -1.34 K(o=-1.3,f=-3!) USER MOD Single : A 560 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 567 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 569 TYR OH : rot 180:sc= 0 USER MOD Single : A 572 ASN : amide:sc= -0.0363 K(o=-0.036,f=-1.9!) USER MOD Single : A 573 THR OG1 : rot -150:sc= -0.101 USER MOD Single : A 578 LYS NZ :NH3+ -157:sc= 0.411 (180deg=-0.106) USER MOD Single : A 579 LYS NZ :NH3+ -126:sc= -0.802 (180deg=-1.14) USER MOD Single : A 588 THR OG1 : rot 180:sc= 0.00246 USER MOD Single : A 589 LYS NZ :NH3+ -96:sc= -1.48! (180deg=-2.86!) USER MOD Single : A 590 LYS NZ :NH3+ -113:sc= 0.708 (180deg=0.291) USER MOD Single : A 592 CYS SG : rot -22:sc= -4! USER MOD Single : A 593 MET CE :methyl 166:sc= 0 (180deg=-0.0754) USER MOD Single : A 594 LYS NZ :NH3+ 151:sc= -0.483 (180deg=-1.87!) USER MOD Single : A 596 TYR OH : rot 180:sc= 0.326 USER MOD Single : A 597 LYS NZ :NH3+ -149:sc= 1.28 (180deg=0.397) USER MOD Single : A 602 MET CE :methyl -175:sc= -0.27 (180deg=-0.299) USER MOD Single : A 604 LYS NZ :NH3+ -116:sc= -0.3 (180deg=-1.89!) USER MOD Single : A 606 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 607 LYS NZ :NH3+ -150:sc= -0.539 (180deg=-1.94!) USER MOD ----------------------------------------------------------------- ATOM 49 N TRP A 554 -6.121 -10.231 5.054 1.00 0.00 N ATOM 50 CA TRP A 554 -6.804 -11.526 5.168 1.00 0.00 C ATOM 51 C TRP A 554 -7.990 -11.597 4.202 1.00 0.00 C ATOM 52 O TRP A 554 -9.077 -11.092 4.500 1.00 0.00 O ATOM 53 CB TRP A 554 -7.274 -11.756 6.631 1.00 0.00 C ATOM 54 CG TRP A 554 -6.147 -12.029 7.594 1.00 0.00 C ATOM 55 CD1 TRP A 554 -5.456 -11.126 8.353 1.00 0.00 C ATOM 56 CD2 TRP A 554 -5.577 -13.309 7.878 1.00 0.00 C ATOM 57 NE1 TRP A 554 -4.503 -11.775 9.096 1.00 0.00 N ATOM 58 CE2 TRP A 554 -4.560 -13.115 8.815 1.00 0.00 C ATOM 59 CE3 TRP A 554 -5.843 -14.603 7.420 1.00 0.00 C ATOM 60 CZ2 TRP A 554 -3.790 -14.164 9.305 1.00 0.00 C ATOM 61 CZ3 TRP A 554 -5.088 -15.647 7.914 1.00 0.00 C ATOM 62 CH2 TRP A 554 -4.073 -15.422 8.846 1.00 0.00 C ATOM 0 HA TRP A 554 -6.101 -12.315 4.900 1.00 0.00 H new ATOM 0 HB2 TRP A 554 -7.824 -10.878 6.969 1.00 0.00 H new ATOM 0 HB3 TRP A 554 -7.969 -12.595 6.652 1.00 0.00 H new ATOM 0 HD1 TRP A 554 -5.634 -10.061 8.366 1.00 0.00 H new ATOM 0 HE1 TRP A 554 -3.858 -11.333 9.750 1.00 0.00 H new ATOM 0 HE3 TRP A 554 -6.623 -14.782 6.695 1.00 0.00 H new ATOM 0 HZ2 TRP A 554 -2.999 -13.993 10.020 1.00 0.00 H new ATOM 0 HZ3 TRP A 554 -5.285 -16.653 7.575 1.00 0.00 H new ATOM 0 HH2 TRP A 554 -3.498 -16.259 9.213 1.00 0.00 H new ATOM 73 N THR A 555 -7.748 -12.171 3.015 1.00 0.00 N ATOM 74 CA THR A 555 -8.808 -12.447 2.033 1.00 0.00 C ATOM 75 C THR A 555 -9.444 -13.808 2.363 1.00 0.00 C ATOM 76 O THR A 555 -8.986 -14.500 3.289 1.00 0.00 O ATOM 77 CB THR A 555 -8.260 -12.429 0.560 1.00 0.00 C ATOM 78 OG1 THR A 555 -7.433 -13.572 0.308 1.00 0.00 O ATOM 79 CG2 THR A 555 -7.443 -11.158 0.276 1.00 0.00 C ATOM 0 H THR A 555 -6.818 -12.456 2.709 1.00 0.00 H new ATOM 0 HA THR A 555 -9.560 -11.660 2.096 1.00 0.00 H new ATOM 0 HB THR A 555 -9.128 -12.449 -0.099 1.00 0.00 H new ATOM 0 HG1 THR A 555 -6.705 -13.600 0.964 1.00 0.00 H new ATOM 0 HG21 THR A 555 -7.080 -11.181 -0.752 1.00 0.00 H new ATOM 0 HG22 THR A 555 -8.074 -10.281 0.419 1.00 0.00 H new ATOM 0 HG23 THR A 555 -6.595 -11.110 0.959 1.00 0.00 H new ATOM 87 N THR A 556 -10.476 -14.195 1.599 1.00 0.00 N ATOM 88 CA THR A 556 -11.255 -15.413 1.872 1.00 0.00 C ATOM 89 C THR A 556 -10.370 -16.681 1.853 1.00 0.00 C ATOM 90 O THR A 556 -10.575 -17.582 2.674 1.00 0.00 O ATOM 91 CB THR A 556 -12.413 -15.574 0.844 1.00 0.00 C ATOM 92 OG1 THR A 556 -13.161 -14.352 0.760 1.00 0.00 O ATOM 93 CG2 THR A 556 -13.366 -16.732 1.208 1.00 0.00 C ATOM 0 H THR A 556 -10.793 -13.677 0.780 1.00 0.00 H new ATOM 0 HA THR A 556 -11.672 -15.302 2.873 1.00 0.00 H new ATOM 0 HB THR A 556 -11.959 -15.809 -0.119 1.00 0.00 H new ATOM 0 HG1 THR A 556 -13.888 -14.457 0.111 1.00 0.00 H new ATOM 0 HG21 THR A 556 -14.156 -16.802 0.460 1.00 0.00 H new ATOM 0 HG22 THR A 556 -12.808 -17.668 1.235 1.00 0.00 H new ATOM 0 HG23 THR A 556 -13.809 -16.545 2.186 1.00 0.00 H new ATOM 101 N GLU A 557 -9.368 -16.731 0.941 1.00 0.00 N ATOM 102 CA GLU A 557 -8.506 -17.922 0.787 1.00 0.00 C ATOM 103 C GLU A 557 -7.645 -18.165 2.053 1.00 0.00 C ATOM 104 O GLU A 557 -7.720 -19.253 2.630 1.00 0.00 O ATOM 105 CB GLU A 557 -7.645 -17.857 -0.504 1.00 0.00 C ATOM 106 CG GLU A 557 -6.639 -16.699 -0.580 1.00 0.00 C ATOM 107 CD GLU A 557 -5.801 -16.695 -1.870 1.00 0.00 C ATOM 108 OE1 GLU A 557 -4.969 -17.610 -2.046 1.00 0.00 O ATOM 109 OE2 GLU A 557 -5.962 -15.783 -2.714 1.00 0.00 O ATOM 0 H GLU A 557 -9.140 -15.965 0.307 1.00 0.00 H new ATOM 0 HA GLU A 557 -9.163 -18.784 0.675 1.00 0.00 H new ATOM 0 HB2 GLU A 557 -7.098 -18.795 -0.601 1.00 0.00 H new ATOM 0 HB3 GLU A 557 -8.315 -17.788 -1.361 1.00 0.00 H new ATOM 0 HG2 GLU A 557 -7.178 -15.755 -0.504 1.00 0.00 H new ATOM 0 HG3 GLU A 557 -5.969 -16.754 0.278 1.00 0.00 H new ATOM 116 N GLU A 558 -6.889 -17.134 2.527 1.00 0.00 N ATOM 117 CA GLU A 558 -6.021 -17.273 3.728 1.00 0.00 C ATOM 118 C GLU A 558 -6.861 -17.505 4.986 1.00 0.00 C ATOM 119 O GLU A 558 -6.403 -18.150 5.928 1.00 0.00 O ATOM 120 CB GLU A 558 -5.112 -16.040 3.970 1.00 0.00 C ATOM 121 CG GLU A 558 -4.080 -15.739 2.858 1.00 0.00 C ATOM 122 CD GLU A 558 -4.555 -14.704 1.833 1.00 0.00 C ATOM 123 OE1 GLU A 558 -5.232 -13.730 2.234 1.00 0.00 O ATOM 124 OE2 GLU A 558 -4.229 -14.833 0.643 1.00 0.00 O ATOM 0 H GLU A 558 -6.864 -16.208 2.100 1.00 0.00 H new ATOM 0 HA GLU A 558 -5.383 -18.134 3.528 1.00 0.00 H new ATOM 0 HB2 GLU A 558 -5.747 -15.163 4.098 1.00 0.00 H new ATOM 0 HB3 GLU A 558 -4.576 -16.185 4.908 1.00 0.00 H new ATOM 0 HG2 GLU A 558 -3.158 -15.383 3.318 1.00 0.00 H new ATOM 0 HG3 GLU A 558 -3.840 -16.667 2.338 1.00 0.00 H new ATOM 131 N GLN A 559 -8.086 -16.948 4.978 1.00 0.00 N ATOM 132 CA GLN A 559 -9.051 -17.077 6.077 1.00 0.00 C ATOM 133 C GLN A 559 -9.490 -18.545 6.251 1.00 0.00 C ATOM 134 O GLN A 559 -9.507 -19.073 7.370 1.00 0.00 O ATOM 135 CB GLN A 559 -10.272 -16.152 5.807 1.00 0.00 C ATOM 136 CG GLN A 559 -11.387 -16.210 6.869 1.00 0.00 C ATOM 137 CD GLN A 559 -10.880 -15.973 8.295 1.00 0.00 C ATOM 138 OE1 GLN A 559 -9.927 -15.235 8.528 1.00 0.00 O ATOM 139 NE2 GLN A 559 -11.523 -16.594 9.250 1.00 0.00 N ATOM 0 H GLN A 559 -8.434 -16.390 4.198 1.00 0.00 H new ATOM 0 HA GLN A 559 -8.577 -16.767 7.008 1.00 0.00 H new ATOM 0 HB2 GLN A 559 -9.919 -15.124 5.730 1.00 0.00 H new ATOM 0 HB3 GLN A 559 -10.700 -16.415 4.840 1.00 0.00 H new ATOM 0 HG2 GLN A 559 -12.144 -15.463 6.631 1.00 0.00 H new ATOM 0 HG3 GLN A 559 -11.874 -17.184 6.821 1.00 0.00 H new ATOM 0 HE21 GLN A 559 -12.311 -17.201 9.023 1.00 0.00 H new ATOM 0 HE22 GLN A 559 -11.236 -16.472 10.221 1.00 0.00 H new ATOM 148 N LYS A 560 -9.821 -19.199 5.121 1.00 0.00 N ATOM 149 CA LYS A 560 -10.208 -20.628 5.101 1.00 0.00 C ATOM 150 C LYS A 560 -9.018 -21.518 5.485 1.00 0.00 C ATOM 151 O LYS A 560 -9.182 -22.487 6.223 1.00 0.00 O ATOM 152 CB LYS A 560 -10.738 -21.033 3.706 1.00 0.00 C ATOM 153 CG LYS A 560 -12.051 -20.338 3.288 1.00 0.00 C ATOM 154 CD LYS A 560 -12.533 -20.782 1.888 1.00 0.00 C ATOM 155 CE LYS A 560 -11.510 -20.473 0.780 1.00 0.00 C ATOM 156 NZ LYS A 560 -11.973 -20.944 -0.540 1.00 0.00 N ATOM 0 H LYS A 560 -9.829 -18.758 4.201 1.00 0.00 H new ATOM 0 HA LYS A 560 -11.003 -20.769 5.833 1.00 0.00 H new ATOM 0 HB2 LYS A 560 -9.972 -20.810 2.963 1.00 0.00 H new ATOM 0 HB3 LYS A 560 -10.893 -22.112 3.690 1.00 0.00 H new ATOM 0 HG2 LYS A 560 -12.825 -20.558 4.023 1.00 0.00 H new ATOM 0 HG3 LYS A 560 -11.905 -19.258 3.293 1.00 0.00 H new ATOM 0 HD2 LYS A 560 -12.735 -21.853 1.901 1.00 0.00 H new ATOM 0 HD3 LYS A 560 -13.474 -20.283 1.657 1.00 0.00 H new ATOM 0 HE2 LYS A 560 -11.331 -19.399 0.740 1.00 0.00 H new ATOM 0 HE3 LYS A 560 -10.558 -20.946 1.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 560 -11.257 -20.718 -1.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 560 -12.120 -21.973 -0.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 560 -12.868 -20.473 -0.782 1.00 0.00 H new ATOM 170 N LEU A 561 -7.816 -21.151 4.989 1.00 0.00 N ATOM 171 CA LEU A 561 -6.561 -21.872 5.288 1.00 0.00 C ATOM 172 C LEU A 561 -6.230 -21.774 6.781 1.00 0.00 C ATOM 173 O LEU A 561 -5.725 -22.734 7.365 1.00 0.00 O ATOM 174 CB LEU A 561 -5.372 -21.322 4.445 1.00 0.00 C ATOM 175 CG LEU A 561 -5.489 -21.467 2.895 1.00 0.00 C ATOM 176 CD1 LEU A 561 -4.232 -20.916 2.187 1.00 0.00 C ATOM 177 CD2 LEU A 561 -5.799 -22.923 2.483 1.00 0.00 C ATOM 0 H LEU A 561 -7.689 -20.349 4.372 1.00 0.00 H new ATOM 0 HA LEU A 561 -6.711 -22.918 5.021 1.00 0.00 H new ATOM 0 HB2 LEU A 561 -5.248 -20.265 4.680 1.00 0.00 H new ATOM 0 HB3 LEU A 561 -4.462 -21.829 4.767 1.00 0.00 H new ATOM 0 HG LEU A 561 -6.334 -20.862 2.566 1.00 0.00 H new ATOM 0 HD11 LEU A 561 -4.342 -21.030 1.109 1.00 0.00 H new ATOM 0 HD12 LEU A 561 -4.111 -19.860 2.429 1.00 0.00 H new ATOM 0 HD13 LEU A 561 -3.354 -21.468 2.523 1.00 0.00 H new ATOM 0 HD21 LEU A 561 -5.873 -22.986 1.397 1.00 0.00 H new ATOM 0 HD22 LEU A 561 -5.000 -23.578 2.831 1.00 0.00 H new ATOM 0 HD23 LEU A 561 -6.743 -23.234 2.930 1.00 0.00 H new ATOM 189 N LEU A 562 -6.538 -20.604 7.383 1.00 0.00 N ATOM 190 CA LEU A 562 -6.300 -20.361 8.816 1.00 0.00 C ATOM 191 C LEU A 562 -7.196 -21.284 9.648 1.00 0.00 C ATOM 192 O LEU A 562 -6.696 -22.091 10.418 1.00 0.00 O ATOM 193 CB LEU A 562 -6.558 -18.875 9.203 1.00 0.00 C ATOM 194 CG LEU A 562 -6.301 -18.508 10.705 1.00 0.00 C ATOM 195 CD1 LEU A 562 -4.824 -18.754 11.112 1.00 0.00 C ATOM 196 CD2 LEU A 562 -6.755 -17.063 11.010 1.00 0.00 C ATOM 0 H LEU A 562 -6.954 -19.812 6.893 1.00 0.00 H new ATOM 0 HA LEU A 562 -5.252 -20.576 9.024 1.00 0.00 H new ATOM 0 HB2 LEU A 562 -5.926 -18.242 8.580 1.00 0.00 H new ATOM 0 HB3 LEU A 562 -7.592 -18.630 8.960 1.00 0.00 H new ATOM 0 HG LEU A 562 -6.908 -19.175 11.318 1.00 0.00 H new ATOM 0 HD11 LEU A 562 -4.686 -18.488 12.160 1.00 0.00 H new ATOM 0 HD12 LEU A 562 -4.578 -19.806 10.970 1.00 0.00 H new ATOM 0 HD13 LEU A 562 -4.169 -18.141 10.493 1.00 0.00 H new ATOM 0 HD21 LEU A 562 -6.565 -16.836 12.059 1.00 0.00 H new ATOM 0 HD22 LEU A 562 -6.200 -16.367 10.381 1.00 0.00 H new ATOM 0 HD23 LEU A 562 -7.821 -16.966 10.805 1.00 0.00 H new ATOM 208 N GLU A 563 -8.528 -21.193 9.421 1.00 0.00 N ATOM 209 CA GLU A 563 -9.550 -21.939 10.203 1.00 0.00 C ATOM 210 C GLU A 563 -9.455 -23.457 9.981 1.00 0.00 C ATOM 211 O GLU A 563 -9.810 -24.249 10.869 1.00 0.00 O ATOM 212 CB GLU A 563 -10.975 -21.408 9.888 1.00 0.00 C ATOM 213 CG GLU A 563 -11.143 -19.906 10.169 1.00 0.00 C ATOM 214 CD GLU A 563 -12.594 -19.412 10.040 1.00 0.00 C ATOM 215 OE1 GLU A 563 -13.106 -19.331 8.905 1.00 0.00 O ATOM 216 OE2 GLU A 563 -13.220 -19.075 11.066 1.00 0.00 O ATOM 0 H GLU A 563 -8.927 -20.602 8.692 1.00 0.00 H new ATOM 0 HA GLU A 563 -9.346 -21.765 11.259 1.00 0.00 H new ATOM 0 HB2 GLU A 563 -11.203 -21.602 8.840 1.00 0.00 H new ATOM 0 HB3 GLU A 563 -11.701 -21.964 10.481 1.00 0.00 H new ATOM 0 HG2 GLU A 563 -10.783 -19.691 11.175 1.00 0.00 H new ATOM 0 HG3 GLU A 563 -10.514 -19.344 9.479 1.00 0.00 H new ATOM 223 N GLN A 564 -8.949 -23.850 8.799 1.00 0.00 N ATOM 224 CA GLN A 564 -8.660 -25.255 8.484 1.00 0.00 C ATOM 225 C GLN A 564 -7.459 -25.716 9.318 1.00 0.00 C ATOM 226 O GLN A 564 -7.509 -26.766 9.937 1.00 0.00 O ATOM 227 CB GLN A 564 -8.374 -25.448 6.967 1.00 0.00 C ATOM 228 CG GLN A 564 -8.019 -26.893 6.542 1.00 0.00 C ATOM 229 CD GLN A 564 -9.119 -27.917 6.854 1.00 0.00 C ATOM 230 OE1 GLN A 564 -9.058 -28.539 8.025 1.00 0.00 O flip ATOM 231 NE2 GLN A 564 -10.018 -28.147 6.046 1.00 0.00 N flip ATOM 0 H GLN A 564 -8.731 -23.204 8.040 1.00 0.00 H new ATOM 0 HA GLN A 564 -9.534 -25.858 8.730 1.00 0.00 H new ATOM 0 HB2 GLN A 564 -9.250 -25.126 6.405 1.00 0.00 H new ATOM 0 HB3 GLN A 564 -7.553 -24.790 6.682 1.00 0.00 H new ATOM 0 HG2 GLN A 564 -7.815 -26.907 5.471 1.00 0.00 H new ATOM 0 HG3 GLN A 564 -7.101 -27.195 7.046 1.00 0.00 H new ATOM 0 HE21 GLN A 564 -10.040 -27.654 5.153 1.00 0.00 H new ATOM 0 HE22 GLN A 564 -10.741 -28.831 6.269 1.00 0.00 H new ATOM 240 N ALA A 565 -6.400 -24.890 9.350 1.00 0.00 N ATOM 241 CA ALA A 565 -5.151 -25.176 10.088 1.00 0.00 C ATOM 242 C ALA A 565 -5.360 -25.109 11.622 1.00 0.00 C ATOM 243 O ALA A 565 -4.631 -25.741 12.382 1.00 0.00 O ATOM 244 CB ALA A 565 -4.047 -24.207 9.636 1.00 0.00 C ATOM 0 H ALA A 565 -6.383 -23.995 8.861 1.00 0.00 H new ATOM 0 HA ALA A 565 -4.844 -26.196 9.857 1.00 0.00 H new ATOM 0 HB1 ALA A 565 -3.129 -24.421 10.182 1.00 0.00 H new ATOM 0 HB2 ALA A 565 -3.870 -24.329 8.567 1.00 0.00 H new ATOM 0 HB3 ALA A 565 -4.358 -23.182 9.837 1.00 0.00 H new ATOM 250 N LEU A 566 -6.355 -24.318 12.056 1.00 0.00 N ATOM 251 CA LEU A 566 -6.758 -24.218 13.478 1.00 0.00 C ATOM 252 C LEU A 566 -7.445 -25.520 13.946 1.00 0.00 C ATOM 253 O LEU A 566 -7.430 -25.845 15.137 1.00 0.00 O ATOM 254 CB LEU A 566 -7.713 -23.003 13.688 1.00 0.00 C ATOM 255 CG LEU A 566 -7.092 -21.578 13.477 1.00 0.00 C ATOM 256 CD1 LEU A 566 -8.190 -20.486 13.459 1.00 0.00 C ATOM 257 CD2 LEU A 566 -6.004 -21.277 14.537 1.00 0.00 C ATOM 0 H LEU A 566 -6.906 -23.727 11.434 1.00 0.00 H new ATOM 0 HA LEU A 566 -5.859 -24.068 14.076 1.00 0.00 H new ATOM 0 HB2 LEU A 566 -8.557 -23.111 13.007 1.00 0.00 H new ATOM 0 HB3 LEU A 566 -8.112 -23.054 14.701 1.00 0.00 H new ATOM 0 HG LEU A 566 -6.606 -21.567 12.501 1.00 0.00 H new ATOM 0 HD11 LEU A 566 -7.729 -19.509 13.311 1.00 0.00 H new ATOM 0 HD12 LEU A 566 -8.888 -20.685 12.646 1.00 0.00 H new ATOM 0 HD13 LEU A 566 -8.727 -20.494 14.408 1.00 0.00 H new ATOM 0 HD21 LEU A 566 -5.593 -20.282 14.364 1.00 0.00 H new ATOM 0 HD22 LEU A 566 -6.445 -21.319 15.533 1.00 0.00 H new ATOM 0 HD23 LEU A 566 -5.207 -22.017 14.461 1.00 0.00 H new ATOM 269 N LYS A 567 -8.045 -26.252 12.992 1.00 0.00 N ATOM 270 CA LYS A 567 -8.749 -27.520 13.261 1.00 0.00 C ATOM 271 C LYS A 567 -7.805 -28.727 13.027 1.00 0.00 C ATOM 272 O LYS A 567 -7.865 -29.724 13.755 1.00 0.00 O ATOM 273 CB LYS A 567 -10.020 -27.624 12.367 1.00 0.00 C ATOM 274 CG LYS A 567 -10.899 -28.863 12.650 1.00 0.00 C ATOM 275 CD LYS A 567 -11.378 -28.937 14.121 1.00 0.00 C ATOM 276 CE LYS A 567 -12.123 -30.239 14.438 1.00 0.00 C ATOM 277 NZ LYS A 567 -12.509 -30.310 15.867 1.00 0.00 N ATOM 0 H LYS A 567 -8.056 -25.981 12.009 1.00 0.00 H new ATOM 0 HA LYS A 567 -9.060 -27.536 14.306 1.00 0.00 H new ATOM 0 HB2 LYS A 567 -10.622 -26.726 12.507 1.00 0.00 H new ATOM 0 HB3 LYS A 567 -9.713 -27.642 11.321 1.00 0.00 H new ATOM 0 HG2 LYS A 567 -11.767 -28.845 11.991 1.00 0.00 H new ATOM 0 HG3 LYS A 567 -10.335 -29.765 12.411 1.00 0.00 H new ATOM 0 HD2 LYS A 567 -10.517 -28.846 14.784 1.00 0.00 H new ATOM 0 HD3 LYS A 567 -12.032 -28.090 14.329 1.00 0.00 H new ATOM 0 HE2 LYS A 567 -13.015 -30.310 13.815 1.00 0.00 H new ATOM 0 HE3 LYS A 567 -11.491 -31.091 14.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 567 -13.011 -31.203 16.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 567 -11.656 -30.267 16.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 567 -13.132 -29.510 16.098 1.00 0.00 H new ATOM 291 N THR A 568 -6.945 -28.614 11.997 1.00 0.00 N ATOM 292 CA THR A 568 -5.964 -29.656 11.623 1.00 0.00 C ATOM 293 C THR A 568 -4.889 -29.754 12.710 1.00 0.00 C ATOM 294 O THR A 568 -4.535 -30.848 13.169 1.00 0.00 O ATOM 295 CB THR A 568 -5.315 -29.335 10.230 1.00 0.00 C ATOM 296 OG1 THR A 568 -6.350 -29.226 9.234 1.00 0.00 O ATOM 297 CG2 THR A 568 -4.298 -30.411 9.792 1.00 0.00 C ATOM 0 H THR A 568 -6.910 -27.791 11.395 1.00 0.00 H new ATOM 0 HA THR A 568 -6.477 -30.614 11.538 1.00 0.00 H new ATOM 0 HB THR A 568 -4.775 -28.393 10.330 1.00 0.00 H new ATOM 0 HG1 THR A 568 -6.846 -28.392 9.368 1.00 0.00 H new ATOM 0 HG21 THR A 568 -3.878 -30.142 8.823 1.00 0.00 H new ATOM 0 HG22 THR A 568 -3.497 -30.476 10.529 1.00 0.00 H new ATOM 0 HG23 THR A 568 -4.800 -31.376 9.715 1.00 0.00 H new ATOM 305 N TYR A 569 -4.405 -28.581 13.128 1.00 0.00 N ATOM 306 CA TYR A 569 -3.512 -28.436 14.283 1.00 0.00 C ATOM 307 C TYR A 569 -4.354 -27.813 15.403 1.00 0.00 C ATOM 308 O TYR A 569 -4.633 -26.604 15.347 1.00 0.00 O ATOM 309 CB TYR A 569 -2.282 -27.532 13.944 1.00 0.00 C ATOM 310 CG TYR A 569 -1.735 -27.745 12.532 1.00 0.00 C ATOM 311 CD1 TYR A 569 -1.248 -28.993 12.121 1.00 0.00 C ATOM 312 CD2 TYR A 569 -1.755 -26.712 11.596 1.00 0.00 C ATOM 313 CE1 TYR A 569 -0.787 -29.186 10.831 1.00 0.00 C ATOM 314 CE2 TYR A 569 -1.304 -26.905 10.307 1.00 0.00 C ATOM 315 CZ TYR A 569 -0.823 -28.141 9.930 1.00 0.00 C ATOM 316 OH TYR A 569 -0.370 -28.332 8.647 1.00 0.00 O ATOM 0 H TYR A 569 -4.624 -27.696 12.670 1.00 0.00 H new ATOM 0 HA TYR A 569 -3.107 -29.403 14.582 1.00 0.00 H new ATOM 0 HB2 TYR A 569 -2.567 -26.486 14.060 1.00 0.00 H new ATOM 0 HB3 TYR A 569 -1.488 -27.728 14.665 1.00 0.00 H new ATOM 0 HD1 TYR A 569 -1.232 -29.815 12.821 1.00 0.00 H new ATOM 0 HD2 TYR A 569 -2.131 -25.742 11.886 1.00 0.00 H new ATOM 0 HE1 TYR A 569 -0.401 -30.149 10.531 1.00 0.00 H new ATOM 0 HE2 TYR A 569 -1.327 -26.092 9.596 1.00 0.00 H new ATOM 0 HH TYR A 569 -0.465 -27.499 8.139 1.00 0.00 H new ATOM 326 N PRO A 570 -4.845 -28.625 16.395 1.00 0.00 N ATOM 327 CA PRO A 570 -5.646 -28.098 17.523 1.00 0.00 C ATOM 328 C PRO A 570 -4.807 -27.188 18.442 1.00 0.00 C ATOM 329 O PRO A 570 -3.587 -27.067 18.272 1.00 0.00 O ATOM 330 CB PRO A 570 -6.138 -29.384 18.251 1.00 0.00 C ATOM 331 CG PRO A 570 -5.118 -30.430 17.907 1.00 0.00 C ATOM 332 CD PRO A 570 -4.661 -30.103 16.495 1.00 0.00 C ATOM 0 HA PRO A 570 -6.471 -27.464 17.199 1.00 0.00 H new ATOM 0 HB2 PRO A 570 -6.200 -29.230 19.328 1.00 0.00 H new ATOM 0 HB3 PRO A 570 -7.133 -29.674 17.913 1.00 0.00 H new ATOM 0 HG2 PRO A 570 -4.281 -30.407 18.605 1.00 0.00 H new ATOM 0 HG3 PRO A 570 -5.549 -31.430 17.958 1.00 0.00 H new ATOM 0 HD2 PRO A 570 -3.621 -30.389 16.335 1.00 0.00 H new ATOM 0 HD3 PRO A 570 -5.255 -30.632 15.750 1.00 0.00 H new ATOM 340 N VAL A 571 -5.471 -26.558 19.419 1.00 0.00 N ATOM 341 CA VAL A 571 -4.813 -25.658 20.390 1.00 0.00 C ATOM 342 C VAL A 571 -3.769 -26.424 21.254 1.00 0.00 C ATOM 343 O VAL A 571 -2.807 -25.832 21.763 1.00 0.00 O ATOM 344 CB VAL A 571 -5.877 -24.929 21.298 1.00 0.00 C ATOM 345 CG1 VAL A 571 -6.738 -25.950 22.100 1.00 0.00 C ATOM 346 CG2 VAL A 571 -5.193 -23.873 22.216 1.00 0.00 C ATOM 0 H VAL A 571 -6.476 -26.653 19.563 1.00 0.00 H new ATOM 0 HA VAL A 571 -4.277 -24.896 19.824 1.00 0.00 H new ATOM 0 HB VAL A 571 -6.566 -24.389 20.649 1.00 0.00 H new ATOM 0 HG11 VAL A 571 -7.460 -25.413 22.715 1.00 0.00 H new ATOM 0 HG12 VAL A 571 -7.267 -26.604 21.407 1.00 0.00 H new ATOM 0 HG13 VAL A 571 -6.090 -26.548 22.741 1.00 0.00 H new ATOM 0 HG21 VAL A 571 -5.947 -23.384 22.832 1.00 0.00 H new ATOM 0 HG22 VAL A 571 -4.464 -24.367 22.858 1.00 0.00 H new ATOM 0 HG23 VAL A 571 -4.689 -23.128 21.601 1.00 0.00 H new ATOM 356 N ASN A 572 -3.961 -27.755 21.349 1.00 0.00 N ATOM 357 CA ASN A 572 -3.066 -28.675 22.088 1.00 0.00 C ATOM 358 C ASN A 572 -1.663 -28.720 21.451 1.00 0.00 C ATOM 359 O ASN A 572 -0.668 -28.967 22.141 1.00 0.00 O ATOM 360 CB ASN A 572 -3.674 -30.106 22.101 1.00 0.00 C ATOM 361 CG ASN A 572 -5.111 -30.135 22.620 1.00 0.00 C ATOM 362 OD1 ASN A 572 -6.062 -30.007 21.847 1.00 0.00 O ATOM 363 ND2 ASN A 572 -5.282 -30.276 23.932 1.00 0.00 N ATOM 0 H ASN A 572 -4.750 -28.229 20.910 1.00 0.00 H new ATOM 0 HA ASN A 572 -2.970 -28.304 23.108 1.00 0.00 H new ATOM 0 HB2 ASN A 572 -3.649 -30.515 21.091 1.00 0.00 H new ATOM 0 HB3 ASN A 572 -3.055 -30.753 22.723 1.00 0.00 H new ATOM 0 HD21 ASN A 572 -6.223 -30.280 24.326 1.00 0.00 H new ATOM 0 HD22 ASN A 572 -4.472 -30.380 24.544 1.00 0.00 H new ATOM 370 N THR A 573 -1.612 -28.494 20.127 1.00 0.00 N ATOM 371 CA THR A 573 -0.367 -28.508 19.349 1.00 0.00 C ATOM 372 C THR A 573 0.525 -27.295 19.728 1.00 0.00 C ATOM 373 O THR A 573 0.111 -26.150 19.516 1.00 0.00 O ATOM 374 CB THR A 573 -0.696 -28.487 17.813 1.00 0.00 C ATOM 375 OG1 THR A 573 -1.626 -29.534 17.505 1.00 0.00 O ATOM 376 CG2 THR A 573 0.564 -28.656 16.939 1.00 0.00 C ATOM 0 H THR A 573 -2.440 -28.296 19.566 1.00 0.00 H new ATOM 0 HA THR A 573 0.181 -29.421 19.580 1.00 0.00 H new ATOM 0 HB THR A 573 -1.128 -27.512 17.588 1.00 0.00 H new ATOM 0 HG1 THR A 573 -1.481 -29.841 16.586 1.00 0.00 H new ATOM 0 HG21 THR A 573 0.282 -28.635 15.886 1.00 0.00 H new ATOM 0 HG22 THR A 573 1.261 -27.844 17.145 1.00 0.00 H new ATOM 0 HG23 THR A 573 1.040 -29.609 17.168 1.00 0.00 H new ATOM 384 N PRO A 574 1.758 -27.525 20.303 1.00 0.00 N ATOM 385 CA PRO A 574 2.676 -26.424 20.694 1.00 0.00 C ATOM 386 C PRO A 574 3.229 -25.653 19.475 1.00 0.00 C ATOM 387 O PRO A 574 3.514 -24.454 19.552 1.00 0.00 O ATOM 388 CB PRO A 574 3.799 -27.151 21.478 1.00 0.00 C ATOM 389 CG PRO A 574 3.798 -28.547 20.933 1.00 0.00 C ATOM 390 CD PRO A 574 2.343 -28.857 20.638 1.00 0.00 C ATOM 0 HA PRO A 574 2.175 -25.657 21.284 1.00 0.00 H new ATOM 0 HB2 PRO A 574 4.764 -26.667 21.328 1.00 0.00 H new ATOM 0 HB3 PRO A 574 3.602 -27.144 22.550 1.00 0.00 H new ATOM 0 HG2 PRO A 574 4.407 -28.618 20.031 1.00 0.00 H new ATOM 0 HG3 PRO A 574 4.213 -29.252 21.654 1.00 0.00 H new ATOM 0 HD2 PRO A 574 2.243 -29.558 19.809 1.00 0.00 H new ATOM 0 HD3 PRO A 574 1.847 -29.307 21.498 1.00 0.00 H new ATOM 398 N GLU A 575 3.351 -26.360 18.336 1.00 0.00 N ATOM 399 CA GLU A 575 3.794 -25.778 17.059 1.00 0.00 C ATOM 400 C GLU A 575 2.607 -25.540 16.111 1.00 0.00 C ATOM 401 O GLU A 575 2.784 -25.571 14.884 1.00 0.00 O ATOM 402 CB GLU A 575 4.864 -26.671 16.382 1.00 0.00 C ATOM 403 CG GLU A 575 6.203 -26.749 17.132 1.00 0.00 C ATOM 404 CD GLU A 575 7.323 -27.315 16.253 1.00 0.00 C ATOM 405 OE1 GLU A 575 7.456 -28.552 16.170 1.00 0.00 O ATOM 406 OE2 GLU A 575 8.043 -26.517 15.601 1.00 0.00 O ATOM 0 H GLU A 575 3.143 -27.357 18.277 1.00 0.00 H new ATOM 0 HA GLU A 575 4.247 -24.811 17.279 1.00 0.00 H new ATOM 0 HB2 GLU A 575 4.463 -27.679 16.277 1.00 0.00 H new ATOM 0 HB3 GLU A 575 5.048 -26.295 15.376 1.00 0.00 H new ATOM 0 HG2 GLU A 575 6.482 -25.754 17.479 1.00 0.00 H new ATOM 0 HG3 GLU A 575 6.086 -27.374 18.017 1.00 0.00 H new ATOM 413 N ARG A 576 1.402 -25.309 16.690 1.00 0.00 N ATOM 414 CA ARG A 576 0.168 -24.984 15.925 1.00 0.00 C ATOM 415 C ARG A 576 0.459 -23.886 14.885 1.00 0.00 C ATOM 416 O ARG A 576 0.380 -24.124 13.683 1.00 0.00 O ATOM 417 CB ARG A 576 -0.963 -24.496 16.885 1.00 0.00 C ATOM 418 CG ARG A 576 -2.377 -24.416 16.249 1.00 0.00 C ATOM 419 CD ARG A 576 -3.385 -23.687 17.156 1.00 0.00 C ATOM 420 NE ARG A 576 -4.799 -23.934 16.782 1.00 0.00 N ATOM 421 CZ ARG A 576 -5.859 -23.453 17.453 1.00 0.00 C ATOM 422 NH1 ARG A 576 -5.705 -22.652 18.493 1.00 0.00 N ATOM 423 NH2 ARG A 576 -7.082 -23.779 17.078 1.00 0.00 N ATOM 0 H ARG A 576 1.257 -25.342 17.699 1.00 0.00 H new ATOM 0 HA ARG A 576 -0.162 -25.890 15.416 1.00 0.00 H new ATOM 0 HB2 ARG A 576 -1.005 -25.167 17.743 1.00 0.00 H new ATOM 0 HB3 ARG A 576 -0.696 -23.510 17.264 1.00 0.00 H new ATOM 0 HG2 ARG A 576 -2.314 -23.899 15.291 1.00 0.00 H new ATOM 0 HG3 ARG A 576 -2.738 -25.424 16.044 1.00 0.00 H new ATOM 0 HD2 ARG A 576 -3.229 -24.003 18.188 1.00 0.00 H new ATOM 0 HD3 ARG A 576 -3.188 -22.616 17.118 1.00 0.00 H new ATOM 0 HE ARG A 576 -4.979 -24.509 15.959 1.00 0.00 H new ATOM 0 HH11 ARG A 576 -4.769 -22.388 18.799 1.00 0.00 H new ATOM 0 HH12 ARG A 576 -6.523 -22.297 18.989 1.00 0.00 H new ATOM 0 HH21 ARG A 576 -7.223 -24.396 16.278 1.00 0.00 H new ATOM 0 HH22 ARG A 576 -7.886 -23.413 17.588 1.00 0.00 H new ATOM 437 N TRP A 577 0.913 -22.728 15.396 1.00 0.00 N ATOM 438 CA TRP A 577 1.171 -21.509 14.603 1.00 0.00 C ATOM 439 C TRP A 577 2.354 -21.683 13.640 1.00 0.00 C ATOM 440 O TRP A 577 2.370 -21.100 12.554 1.00 0.00 O ATOM 441 CB TRP A 577 1.421 -20.322 15.565 1.00 0.00 C ATOM 442 CG TRP A 577 0.290 -20.136 16.552 1.00 0.00 C ATOM 443 CD1 TRP A 577 0.297 -20.442 17.888 1.00 0.00 C ATOM 444 CD2 TRP A 577 -1.029 -19.648 16.261 1.00 0.00 C ATOM 445 NE1 TRP A 577 -0.920 -20.153 18.441 1.00 0.00 N ATOM 446 CE2 TRP A 577 -1.752 -19.674 17.468 1.00 0.00 C ATOM 447 CE3 TRP A 577 -1.665 -19.191 15.101 1.00 0.00 C ATOM 448 CZ2 TRP A 577 -3.076 -19.261 17.545 1.00 0.00 C ATOM 449 CZ3 TRP A 577 -2.980 -18.785 15.181 1.00 0.00 C ATOM 450 CH2 TRP A 577 -3.672 -18.823 16.397 1.00 0.00 C ATOM 0 H TRP A 577 1.115 -22.609 16.389 1.00 0.00 H new ATOM 0 HA TRP A 577 0.294 -21.310 13.988 1.00 0.00 H new ATOM 0 HB2 TRP A 577 2.351 -20.487 16.109 1.00 0.00 H new ATOM 0 HB3 TRP A 577 1.549 -19.408 14.985 1.00 0.00 H new ATOM 0 HD1 TRP A 577 1.140 -20.851 18.425 1.00 0.00 H new ATOM 0 HE1 TRP A 577 -1.167 -20.275 19.423 1.00 0.00 H new ATOM 0 HE3 TRP A 577 -1.135 -19.157 14.160 1.00 0.00 H new ATOM 0 HZ2 TRP A 577 -3.615 -19.285 18.480 1.00 0.00 H new ATOM 0 HZ3 TRP A 577 -3.483 -18.433 14.293 1.00 0.00 H new ATOM 0 HH2 TRP A 577 -4.702 -18.498 16.428 1.00 0.00 H new ATOM 461 N LYS A 578 3.328 -22.504 14.053 1.00 0.00 N ATOM 462 CA LYS A 578 4.537 -22.813 13.261 1.00 0.00 C ATOM 463 C LYS A 578 4.154 -23.514 11.946 1.00 0.00 C ATOM 464 O LYS A 578 4.703 -23.220 10.879 1.00 0.00 O ATOM 465 CB LYS A 578 5.473 -23.720 14.094 1.00 0.00 C ATOM 466 CG LYS A 578 5.917 -23.108 15.441 1.00 0.00 C ATOM 467 CD LYS A 578 6.975 -22.003 15.271 1.00 0.00 C ATOM 468 CE LYS A 578 8.326 -22.571 14.786 1.00 0.00 C ATOM 469 NZ LYS A 578 8.855 -23.621 15.709 1.00 0.00 N ATOM 0 H LYS A 578 3.304 -22.980 14.955 1.00 0.00 H new ATOM 0 HA LYS A 578 5.052 -21.884 13.016 1.00 0.00 H new ATOM 0 HB2 LYS A 578 4.966 -24.665 14.287 1.00 0.00 H new ATOM 0 HB3 LYS A 578 6.359 -23.949 13.502 1.00 0.00 H new ATOM 0 HG2 LYS A 578 5.047 -22.697 15.953 1.00 0.00 H new ATOM 0 HG3 LYS A 578 6.319 -23.896 16.078 1.00 0.00 H new ATOM 0 HD2 LYS A 578 6.615 -21.262 14.557 1.00 0.00 H new ATOM 0 HD3 LYS A 578 7.118 -21.487 16.221 1.00 0.00 H new ATOM 0 HE2 LYS A 578 8.205 -22.993 13.788 1.00 0.00 H new ATOM 0 HE3 LYS A 578 9.051 -21.761 14.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 578 9.886 -23.698 15.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 578 8.636 -23.362 16.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 578 8.412 -24.535 15.485 1.00 0.00 H new ATOM 483 N LYS A 579 3.208 -24.454 12.051 1.00 0.00 N ATOM 484 CA LYS A 579 2.676 -25.203 10.905 1.00 0.00 C ATOM 485 C LYS A 579 1.627 -24.375 10.135 1.00 0.00 C ATOM 486 O LYS A 579 1.417 -24.591 8.937 1.00 0.00 O ATOM 487 CB LYS A 579 2.108 -26.549 11.402 1.00 0.00 C ATOM 488 CG LYS A 579 3.182 -27.463 12.030 1.00 0.00 C ATOM 489 CD LYS A 579 2.597 -28.754 12.651 1.00 0.00 C ATOM 490 CE LYS A 579 3.684 -29.720 13.161 1.00 0.00 C ATOM 491 NZ LYS A 579 4.515 -29.121 14.238 1.00 0.00 N ATOM 0 H LYS A 579 2.786 -24.719 12.941 1.00 0.00 H new ATOM 0 HA LYS A 579 3.480 -25.408 10.198 1.00 0.00 H new ATOM 0 HB2 LYS A 579 1.327 -26.358 12.138 1.00 0.00 H new ATOM 0 HB3 LYS A 579 1.639 -27.070 10.567 1.00 0.00 H new ATOM 0 HG2 LYS A 579 3.911 -27.733 11.266 1.00 0.00 H new ATOM 0 HG3 LYS A 579 3.717 -26.908 12.800 1.00 0.00 H new ATOM 0 HD2 LYS A 579 1.938 -28.487 13.477 1.00 0.00 H new ATOM 0 HD3 LYS A 579 1.985 -29.264 11.907 1.00 0.00 H new ATOM 0 HE2 LYS A 579 3.212 -30.629 13.533 1.00 0.00 H new ATOM 0 HE3 LYS A 579 4.326 -30.011 12.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 579 5.520 -29.188 13.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 579 4.255 -28.122 14.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 579 4.352 -29.634 15.128 1.00 0.00 H new ATOM 505 N ILE A 580 0.968 -23.428 10.838 1.00 0.00 N ATOM 506 CA ILE A 580 0.050 -22.436 10.214 1.00 0.00 C ATOM 507 C ILE A 580 0.842 -21.451 9.317 1.00 0.00 C ATOM 508 O ILE A 580 0.296 -20.898 8.357 1.00 0.00 O ATOM 509 CB ILE A 580 -0.798 -21.673 11.320 1.00 0.00 C ATOM 510 CG1 ILE A 580 -1.791 -22.665 12.014 1.00 0.00 C ATOM 511 CG2 ILE A 580 -1.553 -20.437 10.763 1.00 0.00 C ATOM 512 CD1 ILE A 580 -2.621 -22.074 13.139 1.00 0.00 C ATOM 0 H ILE A 580 1.053 -23.326 11.849 1.00 0.00 H new ATOM 0 HA ILE A 580 -0.655 -22.970 9.577 1.00 0.00 H new ATOM 0 HB ILE A 580 -0.091 -21.291 12.057 1.00 0.00 H new ATOM 0 HG12 ILE A 580 -2.467 -23.065 11.258 1.00 0.00 H new ATOM 0 HG13 ILE A 580 -1.221 -23.506 12.409 1.00 0.00 H new ATOM 0 HG21 ILE A 580 -2.113 -19.960 11.567 1.00 0.00 H new ATOM 0 HG22 ILE A 580 -0.835 -19.728 10.350 1.00 0.00 H new ATOM 0 HG23 ILE A 580 -2.242 -20.754 9.980 1.00 0.00 H new ATOM 0 HD11 ILE A 580 -3.275 -22.843 13.551 1.00 0.00 H new ATOM 0 HD12 ILE A 580 -1.960 -21.701 13.922 1.00 0.00 H new ATOM 0 HD13 ILE A 580 -3.225 -21.253 12.753 1.00 0.00 H new ATOM 524 N ALA A 581 2.136 -21.231 9.643 1.00 0.00 N ATOM 525 CA ALA A 581 3.074 -20.457 8.779 1.00 0.00 C ATOM 526 C ALA A 581 3.183 -21.059 7.377 1.00 0.00 C ATOM 527 O ALA A 581 3.234 -20.336 6.377 1.00 0.00 O ATOM 528 CB ALA A 581 4.472 -20.344 9.427 1.00 0.00 C ATOM 0 H ALA A 581 2.562 -21.578 10.502 1.00 0.00 H new ATOM 0 HA ALA A 581 2.659 -19.454 8.681 1.00 0.00 H new ATOM 0 HB1 ALA A 581 5.132 -19.774 8.772 1.00 0.00 H new ATOM 0 HB2 ALA A 581 4.388 -19.836 10.388 1.00 0.00 H new ATOM 0 HB3 ALA A 581 4.884 -21.341 9.579 1.00 0.00 H new ATOM 534 N GLU A 582 3.202 -22.387 7.341 1.00 0.00 N ATOM 535 CA GLU A 582 3.349 -23.172 6.115 1.00 0.00 C ATOM 536 C GLU A 582 1.985 -23.337 5.411 1.00 0.00 C ATOM 537 O GLU A 582 1.896 -23.292 4.182 1.00 0.00 O ATOM 538 CB GLU A 582 3.981 -24.532 6.492 1.00 0.00 C ATOM 539 CG GLU A 582 5.280 -24.380 7.312 1.00 0.00 C ATOM 540 CD GLU A 582 5.833 -25.711 7.822 1.00 0.00 C ATOM 541 OE1 GLU A 582 6.571 -26.389 7.079 1.00 0.00 O ATOM 542 OE2 GLU A 582 5.538 -26.086 8.972 1.00 0.00 O ATOM 0 H GLU A 582 3.114 -22.962 8.179 1.00 0.00 H new ATOM 0 HA GLU A 582 4.001 -22.662 5.406 1.00 0.00 H new ATOM 0 HB2 GLU A 582 3.261 -25.116 7.065 1.00 0.00 H new ATOM 0 HB3 GLU A 582 4.194 -25.093 5.582 1.00 0.00 H new ATOM 0 HG2 GLU A 582 6.036 -23.893 6.696 1.00 0.00 H new ATOM 0 HG3 GLU A 582 5.090 -23.724 8.162 1.00 0.00 H new ATOM 549 N ALA A 583 0.923 -23.479 6.224 1.00 0.00 N ATOM 550 CA ALA A 583 -0.460 -23.698 5.738 1.00 0.00 C ATOM 551 C ALA A 583 -1.082 -22.404 5.161 1.00 0.00 C ATOM 552 O ALA A 583 -1.893 -22.454 4.231 1.00 0.00 O ATOM 553 CB ALA A 583 -1.331 -24.246 6.887 1.00 0.00 C ATOM 0 H ALA A 583 0.995 -23.446 7.241 1.00 0.00 H new ATOM 0 HA ALA A 583 -0.421 -24.426 4.928 1.00 0.00 H new ATOM 0 HB1 ALA A 583 -2.348 -24.407 6.528 1.00 0.00 H new ATOM 0 HB2 ALA A 583 -0.917 -25.191 7.239 1.00 0.00 H new ATOM 0 HB3 ALA A 583 -1.345 -23.528 7.707 1.00 0.00 H new ATOM 559 N VAL A 584 -0.694 -21.254 5.746 1.00 0.00 N ATOM 560 CA VAL A 584 -1.208 -19.918 5.377 1.00 0.00 C ATOM 561 C VAL A 584 -0.022 -19.046 4.884 1.00 0.00 C ATOM 562 O VAL A 584 0.740 -18.517 5.712 1.00 0.00 O ATOM 563 CB VAL A 584 -1.931 -19.202 6.590 1.00 0.00 C ATOM 564 CG1 VAL A 584 -2.606 -17.885 6.133 1.00 0.00 C ATOM 565 CG2 VAL A 584 -2.947 -20.146 7.276 1.00 0.00 C ATOM 0 H VAL A 584 -0.006 -21.225 6.498 1.00 0.00 H new ATOM 0 HA VAL A 584 -1.949 -20.043 4.587 1.00 0.00 H new ATOM 0 HB VAL A 584 -1.171 -18.948 7.329 1.00 0.00 H new ATOM 0 HG11 VAL A 584 -3.096 -17.413 6.985 1.00 0.00 H new ATOM 0 HG12 VAL A 584 -1.851 -17.211 5.728 1.00 0.00 H new ATOM 0 HG13 VAL A 584 -3.347 -18.104 5.364 1.00 0.00 H new ATOM 0 HG21 VAL A 584 -3.426 -19.624 8.105 1.00 0.00 H new ATOM 0 HG22 VAL A 584 -3.704 -20.453 6.554 1.00 0.00 H new ATOM 0 HG23 VAL A 584 -2.428 -21.027 7.654 1.00 0.00 H new ATOM 575 N PRO A 585 0.189 -18.938 3.526 1.00 0.00 N ATOM 576 CA PRO A 585 1.262 -18.096 2.945 1.00 0.00 C ATOM 577 C PRO A 585 0.890 -16.596 2.935 1.00 0.00 C ATOM 578 O PRO A 585 -0.296 -16.227 2.936 1.00 0.00 O ATOM 579 CB PRO A 585 1.412 -18.669 1.509 1.00 0.00 C ATOM 580 CG PRO A 585 0.036 -19.153 1.157 1.00 0.00 C ATOM 581 CD PRO A 585 -0.581 -19.643 2.459 1.00 0.00 C ATOM 0 HA PRO A 585 2.187 -18.132 3.520 1.00 0.00 H new ATOM 0 HB2 PRO A 585 1.756 -17.906 0.810 1.00 0.00 H new ATOM 0 HB3 PRO A 585 2.139 -19.481 1.479 1.00 0.00 H new ATOM 0 HG2 PRO A 585 -0.560 -18.352 0.720 1.00 0.00 H new ATOM 0 HG3 PRO A 585 0.081 -19.955 0.420 1.00 0.00 H new ATOM 0 HD2 PRO A 585 -1.643 -19.402 2.511 1.00 0.00 H new ATOM 0 HD3 PRO A 585 -0.495 -20.725 2.557 1.00 0.00 H new ATOM 589 N GLY A 586 1.930 -15.745 2.979 1.00 0.00 N ATOM 590 CA GLY A 586 1.780 -14.288 2.839 1.00 0.00 C ATOM 591 C GLY A 586 1.346 -13.571 4.122 1.00 0.00 C ATOM 592 O GLY A 586 1.329 -12.332 4.168 1.00 0.00 O ATOM 0 H GLY A 586 2.895 -16.048 3.112 1.00 0.00 H new ATOM 0 HA2 GLY A 586 2.729 -13.868 2.505 1.00 0.00 H new ATOM 0 HA3 GLY A 586 1.048 -14.084 2.057 1.00 0.00 H new ATOM 596 N ARG A 587 0.994 -14.345 5.162 1.00 0.00 N ATOM 597 CA ARG A 587 0.464 -13.816 6.433 1.00 0.00 C ATOM 598 C ARG A 587 1.410 -14.159 7.588 1.00 0.00 C ATOM 599 O ARG A 587 2.081 -15.193 7.558 1.00 0.00 O ATOM 600 CB ARG A 587 -0.963 -14.390 6.703 1.00 0.00 C ATOM 601 CG ARG A 587 -1.977 -14.150 5.555 1.00 0.00 C ATOM 602 CD ARG A 587 -2.228 -12.661 5.264 1.00 0.00 C ATOM 603 NE ARG A 587 -2.915 -12.466 3.971 1.00 0.00 N ATOM 604 CZ ARG A 587 -2.349 -11.952 2.858 1.00 0.00 C ATOM 605 NH1 ARG A 587 -1.084 -11.552 2.850 1.00 0.00 N ATOM 606 NH2 ARG A 587 -3.057 -11.856 1.750 1.00 0.00 N ATOM 0 H ARG A 587 1.069 -15.362 5.146 1.00 0.00 H new ATOM 0 HA ARG A 587 0.392 -12.731 6.358 1.00 0.00 H new ATOM 0 HB2 ARG A 587 -0.882 -15.462 6.882 1.00 0.00 H new ATOM 0 HB3 ARG A 587 -1.354 -13.943 7.617 1.00 0.00 H new ATOM 0 HG2 ARG A 587 -1.610 -14.633 4.649 1.00 0.00 H new ATOM 0 HG3 ARG A 587 -2.923 -14.627 5.810 1.00 0.00 H new ATOM 0 HD2 ARG A 587 -2.829 -12.230 6.064 1.00 0.00 H new ATOM 0 HD3 ARG A 587 -1.278 -12.126 5.256 1.00 0.00 H new ATOM 0 HE ARG A 587 -3.895 -12.742 3.914 1.00 0.00 H new ATOM 0 HH11 ARG A 587 -0.519 -11.630 3.696 1.00 0.00 H new ATOM 0 HH12 ARG A 587 -0.676 -11.167 1.998 1.00 0.00 H new ATOM 0 HH21 ARG A 587 -4.028 -12.169 1.736 1.00 0.00 H new ATOM 0 HH22 ARG A 587 -2.634 -11.468 0.907 1.00 0.00 H new ATOM 620 N THR A 588 1.463 -13.270 8.586 1.00 0.00 N ATOM 621 CA THR A 588 2.278 -13.452 9.801 1.00 0.00 C ATOM 622 C THR A 588 1.440 -14.084 10.925 1.00 0.00 C ATOM 623 O THR A 588 0.215 -13.927 10.974 1.00 0.00 O ATOM 624 CB THR A 588 2.865 -12.080 10.267 1.00 0.00 C ATOM 625 OG1 THR A 588 1.795 -11.129 10.399 1.00 0.00 O ATOM 626 CG2 THR A 588 3.920 -11.540 9.277 1.00 0.00 C ATOM 0 H THR A 588 0.938 -12.395 8.577 1.00 0.00 H new ATOM 0 HA THR A 588 3.102 -14.126 9.567 1.00 0.00 H new ATOM 0 HB THR A 588 3.359 -12.231 11.227 1.00 0.00 H new ATOM 0 HG1 THR A 588 2.158 -10.267 10.693 1.00 0.00 H new ATOM 0 HG21 THR A 588 4.303 -10.585 9.638 1.00 0.00 H new ATOM 0 HG22 THR A 588 4.741 -12.253 9.196 1.00 0.00 H new ATOM 0 HG23 THR A 588 3.462 -11.400 8.298 1.00 0.00 H new ATOM 634 N LYS A 589 2.128 -14.794 11.828 1.00 0.00 N ATOM 635 CA LYS A 589 1.496 -15.615 12.884 1.00 0.00 C ATOM 636 C LYS A 589 0.955 -14.753 14.015 1.00 0.00 C ATOM 637 O LYS A 589 -0.011 -15.141 14.673 1.00 0.00 O ATOM 638 CB LYS A 589 2.498 -16.683 13.397 1.00 0.00 C ATOM 639 CG LYS A 589 2.645 -17.951 12.497 1.00 0.00 C ATOM 640 CD LYS A 589 2.666 -17.675 10.955 1.00 0.00 C ATOM 641 CE LYS A 589 1.271 -17.809 10.278 1.00 0.00 C ATOM 642 NZ LYS A 589 1.317 -17.577 8.813 1.00 0.00 N ATOM 0 H LYS A 589 3.147 -14.819 11.852 1.00 0.00 H new ATOM 0 HA LYS A 589 0.639 -16.133 12.454 1.00 0.00 H new ATOM 0 HB2 LYS A 589 3.478 -16.217 13.501 1.00 0.00 H new ATOM 0 HB3 LYS A 589 2.188 -16.999 14.393 1.00 0.00 H new ATOM 0 HG2 LYS A 589 3.566 -18.466 12.770 1.00 0.00 H new ATOM 0 HG3 LYS A 589 1.822 -18.631 12.717 1.00 0.00 H new ATOM 0 HD2 LYS A 589 3.050 -16.670 10.780 1.00 0.00 H new ATOM 0 HD3 LYS A 589 3.359 -18.369 10.480 1.00 0.00 H new ATOM 0 HE2 LYS A 589 0.873 -18.805 10.471 1.00 0.00 H new ATOM 0 HE3 LYS A 589 0.582 -17.097 10.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 589 1.065 -16.589 8.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 589 2.277 -17.769 8.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 589 0.642 -18.211 8.340 1.00 0.00 H new ATOM 656 N LYS A 590 1.580 -13.581 14.224 1.00 0.00 N ATOM 657 CA LYS A 590 1.048 -12.557 15.129 1.00 0.00 C ATOM 658 C LYS A 590 -0.364 -12.127 14.657 1.00 0.00 C ATOM 659 O LYS A 590 -1.295 -12.101 15.452 1.00 0.00 O ATOM 660 CB LYS A 590 2.012 -11.343 15.235 1.00 0.00 C ATOM 661 CG LYS A 590 2.434 -10.719 13.885 1.00 0.00 C ATOM 662 CD LYS A 590 3.286 -9.435 14.052 1.00 0.00 C ATOM 663 CE LYS A 590 2.487 -8.260 14.646 1.00 0.00 C ATOM 664 NZ LYS A 590 1.397 -7.821 13.738 1.00 0.00 N ATOM 0 H LYS A 590 2.458 -13.322 13.774 1.00 0.00 H new ATOM 0 HA LYS A 590 0.964 -12.980 16.130 1.00 0.00 H new ATOM 0 HB2 LYS A 590 1.535 -10.572 15.840 1.00 0.00 H new ATOM 0 HB3 LYS A 590 2.909 -11.657 15.768 1.00 0.00 H new ATOM 0 HG2 LYS A 590 3.001 -11.453 13.313 1.00 0.00 H new ATOM 0 HG3 LYS A 590 1.542 -10.484 13.305 1.00 0.00 H new ATOM 0 HD2 LYS A 590 4.138 -9.651 14.697 1.00 0.00 H new ATOM 0 HD3 LYS A 590 3.687 -9.142 13.082 1.00 0.00 H new ATOM 0 HE2 LYS A 590 2.064 -8.556 15.606 1.00 0.00 H new ATOM 0 HE3 LYS A 590 3.159 -7.424 14.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 590 1.604 -6.866 13.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 590 1.326 -8.480 12.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 590 0.496 -7.809 14.257 1.00 0.00 H new ATOM 678 N ASP A 591 -0.504 -11.867 13.334 1.00 0.00 N ATOM 679 CA ASP A 591 -1.792 -11.497 12.695 1.00 0.00 C ATOM 680 C ASP A 591 -2.779 -12.669 12.692 1.00 0.00 C ATOM 681 O ASP A 591 -3.991 -12.450 12.674 1.00 0.00 O ATOM 682 CB ASP A 591 -1.567 -10.996 11.239 1.00 0.00 C ATOM 683 CG ASP A 591 -0.995 -9.572 11.173 1.00 0.00 C ATOM 684 OD1 ASP A 591 0.039 -9.307 11.816 1.00 0.00 O ATOM 685 OD2 ASP A 591 -1.587 -8.704 10.499 1.00 0.00 O ATOM 0 H ASP A 591 0.276 -11.908 12.678 1.00 0.00 H new ATOM 0 HA ASP A 591 -2.222 -10.689 13.287 1.00 0.00 H new ATOM 0 HB2 ASP A 591 -0.888 -11.678 10.727 1.00 0.00 H new ATOM 0 HB3 ASP A 591 -2.514 -11.026 10.700 1.00 0.00 H new ATOM 690 N CYS A 592 -2.248 -13.907 12.670 1.00 0.00 N ATOM 691 CA CYS A 592 -3.067 -15.135 12.757 1.00 0.00 C ATOM 692 C CYS A 592 -3.685 -15.279 14.157 1.00 0.00 C ATOM 693 O CYS A 592 -4.790 -15.800 14.292 1.00 0.00 O ATOM 694 CB CYS A 592 -2.220 -16.380 12.405 1.00 0.00 C ATOM 695 SG CYS A 592 -1.553 -16.330 10.735 1.00 0.00 S ATOM 0 H CYS A 592 -1.247 -14.085 12.592 1.00 0.00 H new ATOM 0 HA CYS A 592 -3.878 -15.056 12.033 1.00 0.00 H new ATOM 0 HB2 CYS A 592 -1.398 -16.466 13.116 1.00 0.00 H new ATOM 0 HB3 CYS A 592 -2.834 -17.274 12.518 1.00 0.00 H new ATOM 0 HG CYS A 592 -2.266 -15.523 10.007 1.00 0.00 H new ATOM 701 N MET A 593 -2.956 -14.797 15.185 1.00 0.00 N ATOM 702 CA MET A 593 -3.418 -14.803 16.594 1.00 0.00 C ATOM 703 C MET A 593 -4.458 -13.690 16.831 1.00 0.00 C ATOM 704 O MET A 593 -5.443 -13.906 17.539 1.00 0.00 O ATOM 705 CB MET A 593 -2.209 -14.625 17.553 1.00 0.00 C ATOM 706 CG MET A 593 -1.190 -15.770 17.511 1.00 0.00 C ATOM 707 SD MET A 593 0.275 -15.422 18.506 1.00 0.00 S ATOM 708 CE MET A 593 1.382 -16.735 17.996 1.00 0.00 C ATOM 0 H MET A 593 -2.028 -14.391 15.064 1.00 0.00 H new ATOM 0 HA MET A 593 -3.892 -15.763 16.799 1.00 0.00 H new ATOM 0 HB2 MET A 593 -1.700 -13.693 17.306 1.00 0.00 H new ATOM 0 HB3 MET A 593 -2.582 -14.524 18.572 1.00 0.00 H new ATOM 0 HG2 MET A 593 -1.661 -16.685 17.870 1.00 0.00 H new ATOM 0 HG3 MET A 593 -0.891 -15.949 16.478 1.00 0.00 H new ATOM 0 HE1 MET A 593 2.394 -16.508 18.331 1.00 0.00 H new ATOM 0 HE2 MET A 593 1.056 -17.677 18.436 1.00 0.00 H new ATOM 0 HE3 MET A 593 1.370 -16.819 16.909 1.00 0.00 H new ATOM 718 N LYS A 594 -4.212 -12.500 16.236 1.00 0.00 N ATOM 719 CA LYS A 594 -5.150 -11.344 16.292 1.00 0.00 C ATOM 720 C LYS A 594 -6.487 -11.724 15.630 1.00 0.00 C ATOM 721 O LYS A 594 -7.567 -11.506 16.190 1.00 0.00 O ATOM 722 CB LYS A 594 -4.541 -10.103 15.571 1.00 0.00 C ATOM 723 CG LYS A 594 -3.146 -9.664 16.078 1.00 0.00 C ATOM 724 CD LYS A 594 -3.108 -9.205 17.563 1.00 0.00 C ATOM 725 CE LYS A 594 -3.591 -7.757 17.786 1.00 0.00 C ATOM 726 NZ LYS A 594 -5.028 -7.563 17.483 1.00 0.00 N ATOM 0 H LYS A 594 -3.362 -12.310 15.704 1.00 0.00 H new ATOM 0 HA LYS A 594 -5.321 -11.089 17.338 1.00 0.00 H new ATOM 0 HB2 LYS A 594 -4.470 -10.321 14.505 1.00 0.00 H new ATOM 0 HB3 LYS A 594 -5.230 -9.265 15.680 1.00 0.00 H new ATOM 0 HG2 LYS A 594 -2.451 -10.494 15.951 1.00 0.00 H new ATOM 0 HG3 LYS A 594 -2.787 -8.848 15.451 1.00 0.00 H new ATOM 0 HD2 LYS A 594 -3.726 -9.879 18.156 1.00 0.00 H new ATOM 0 HD3 LYS A 594 -2.088 -9.298 17.935 1.00 0.00 H new ATOM 0 HE2 LYS A 594 -3.405 -7.475 18.822 1.00 0.00 H new ATOM 0 HE3 LYS A 594 -3.002 -7.085 17.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 594 -5.407 -6.795 18.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 594 -5.141 -7.316 16.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 594 -5.547 -8.442 17.684 1.00 0.00 H new ATOM 740 N ARG A 595 -6.374 -12.330 14.433 1.00 0.00 N ATOM 741 CA ARG A 595 -7.524 -12.794 13.643 1.00 0.00 C ATOM 742 C ARG A 595 -8.281 -13.886 14.422 1.00 0.00 C ATOM 743 O ARG A 595 -9.490 -13.806 14.571 1.00 0.00 O ATOM 744 CB ARG A 595 -7.055 -13.328 12.259 1.00 0.00 C ATOM 745 CG ARG A 595 -8.190 -13.665 11.264 1.00 0.00 C ATOM 746 CD ARG A 595 -9.045 -12.440 10.898 1.00 0.00 C ATOM 747 NE ARG A 595 -10.057 -12.764 9.873 1.00 0.00 N ATOM 748 CZ ARG A 595 -11.338 -12.366 9.874 1.00 0.00 C ATOM 749 NH1 ARG A 595 -11.814 -11.581 10.836 1.00 0.00 N ATOM 750 NH2 ARG A 595 -12.137 -12.762 8.896 1.00 0.00 N ATOM 0 H ARG A 595 -5.475 -12.511 13.986 1.00 0.00 H new ATOM 0 HA ARG A 595 -8.198 -11.955 13.468 1.00 0.00 H new ATOM 0 HB2 ARG A 595 -6.402 -12.584 11.802 1.00 0.00 H new ATOM 0 HB3 ARG A 595 -6.455 -14.224 12.418 1.00 0.00 H new ATOM 0 HG2 ARG A 595 -7.758 -14.085 10.356 1.00 0.00 H new ATOM 0 HG3 ARG A 595 -8.831 -14.433 11.697 1.00 0.00 H new ATOM 0 HD2 ARG A 595 -9.541 -12.063 11.792 1.00 0.00 H new ATOM 0 HD3 ARG A 595 -8.399 -11.642 10.532 1.00 0.00 H new ATOM 0 HE ARG A 595 -9.754 -13.345 9.091 1.00 0.00 H new ATOM 0 HH11 ARG A 595 -11.202 -11.271 11.591 1.00 0.00 H new ATOM 0 HH12 ARG A 595 -12.791 -11.289 10.819 1.00 0.00 H new ATOM 0 HH21 ARG A 595 -11.776 -13.362 8.154 1.00 0.00 H new ATOM 0 HH22 ARG A 595 -13.113 -12.467 8.884 1.00 0.00 H new ATOM 764 N TYR A 596 -7.519 -14.860 14.967 1.00 0.00 N ATOM 765 CA TYR A 596 -8.062 -15.996 15.756 1.00 0.00 C ATOM 766 C TYR A 596 -8.813 -15.513 17.006 1.00 0.00 C ATOM 767 O TYR A 596 -9.819 -16.113 17.387 1.00 0.00 O ATOM 768 CB TYR A 596 -6.923 -16.956 16.170 1.00 0.00 C ATOM 769 CG TYR A 596 -7.332 -18.149 17.050 1.00 0.00 C ATOM 770 CD1 TYR A 596 -8.290 -19.073 16.623 1.00 0.00 C ATOM 771 CD2 TYR A 596 -6.744 -18.360 18.301 1.00 0.00 C ATOM 772 CE1 TYR A 596 -8.637 -20.161 17.398 1.00 0.00 C ATOM 773 CE2 TYR A 596 -7.082 -19.451 19.077 1.00 0.00 C ATOM 774 CZ TYR A 596 -8.033 -20.349 18.625 1.00 0.00 C ATOM 775 OH TYR A 596 -8.353 -21.453 19.386 1.00 0.00 O ATOM 0 H TYR A 596 -6.504 -14.883 14.873 1.00 0.00 H new ATOM 0 HA TYR A 596 -8.771 -16.526 15.120 1.00 0.00 H new ATOM 0 HB2 TYR A 596 -6.453 -17.342 15.265 1.00 0.00 H new ATOM 0 HB3 TYR A 596 -6.165 -16.381 16.702 1.00 0.00 H new ATOM 0 HD1 TYR A 596 -8.769 -18.932 15.665 1.00 0.00 H new ATOM 0 HD2 TYR A 596 -6.011 -17.656 18.667 1.00 0.00 H new ATOM 0 HE1 TYR A 596 -9.378 -20.863 17.046 1.00 0.00 H new ATOM 0 HE2 TYR A 596 -6.605 -19.603 20.034 1.00 0.00 H new ATOM 0 HH TYR A 596 -7.839 -21.436 20.220 1.00 0.00 H new ATOM 785 N LYS A 597 -8.300 -14.436 17.635 1.00 0.00 N ATOM 786 CA LYS A 597 -8.966 -13.776 18.781 1.00 0.00 C ATOM 787 C LYS A 597 -10.373 -13.328 18.376 1.00 0.00 C ATOM 788 O LYS A 597 -11.354 -13.637 19.057 1.00 0.00 O ATOM 789 CB LYS A 597 -8.143 -12.556 19.287 1.00 0.00 C ATOM 790 CG LYS A 597 -8.878 -11.665 20.324 1.00 0.00 C ATOM 791 CD LYS A 597 -8.051 -10.437 20.756 1.00 0.00 C ATOM 792 CE LYS A 597 -8.867 -9.442 21.599 1.00 0.00 C ATOM 793 NZ LYS A 597 -10.007 -8.883 20.827 1.00 0.00 N ATOM 0 H LYS A 597 -7.418 -14.000 17.366 1.00 0.00 H new ATOM 0 HA LYS A 597 -9.034 -14.497 19.596 1.00 0.00 H new ATOM 0 HB2 LYS A 597 -7.216 -12.919 19.732 1.00 0.00 H new ATOM 0 HB3 LYS A 597 -7.866 -11.941 18.431 1.00 0.00 H new ATOM 0 HG2 LYS A 597 -9.824 -11.328 19.900 1.00 0.00 H new ATOM 0 HG3 LYS A 597 -9.118 -12.263 21.204 1.00 0.00 H new ATOM 0 HD2 LYS A 597 -7.186 -10.770 21.330 1.00 0.00 H new ATOM 0 HD3 LYS A 597 -7.670 -9.930 19.870 1.00 0.00 H new ATOM 0 HE2 LYS A 597 -9.241 -9.941 22.493 1.00 0.00 H new ATOM 0 HE3 LYS A 597 -8.220 -8.631 21.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 597 -10.205 -7.915 21.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 597 -9.766 -8.866 19.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 597 -10.849 -9.476 20.973 1.00 0.00 H new ATOM 807 N GLU A 598 -10.441 -12.633 17.223 1.00 0.00 N ATOM 808 CA GLU A 598 -11.700 -12.117 16.671 1.00 0.00 C ATOM 809 C GLU A 598 -12.649 -13.272 16.284 1.00 0.00 C ATOM 810 O GLU A 598 -13.838 -13.212 16.568 1.00 0.00 O ATOM 811 CB GLU A 598 -11.425 -11.194 15.453 1.00 0.00 C ATOM 812 CG GLU A 598 -10.455 -10.028 15.742 1.00 0.00 C ATOM 813 CD GLU A 598 -10.932 -9.108 16.880 1.00 0.00 C ATOM 814 OE1 GLU A 598 -11.775 -8.221 16.625 1.00 0.00 O ATOM 815 OE2 GLU A 598 -10.483 -9.268 18.036 1.00 0.00 O ATOM 0 H GLU A 598 -9.624 -12.416 16.653 1.00 0.00 H new ATOM 0 HA GLU A 598 -12.192 -11.525 17.443 1.00 0.00 H new ATOM 0 HB2 GLU A 598 -11.018 -11.796 14.641 1.00 0.00 H new ATOM 0 HB3 GLU A 598 -12.372 -10.784 15.102 1.00 0.00 H new ATOM 0 HG2 GLU A 598 -9.476 -10.434 15.998 1.00 0.00 H new ATOM 0 HG3 GLU A 598 -10.328 -9.437 14.835 1.00 0.00 H new ATOM 822 N LEU A 599 -12.092 -14.342 15.678 1.00 0.00 N ATOM 823 CA LEU A 599 -12.880 -15.504 15.199 1.00 0.00 C ATOM 824 C LEU A 599 -13.558 -16.218 16.370 1.00 0.00 C ATOM 825 O LEU A 599 -14.775 -16.425 16.363 1.00 0.00 O ATOM 826 CB LEU A 599 -11.977 -16.513 14.429 1.00 0.00 C ATOM 827 CG LEU A 599 -11.246 -15.957 13.172 1.00 0.00 C ATOM 828 CD1 LEU A 599 -10.345 -17.033 12.525 1.00 0.00 C ATOM 829 CD2 LEU A 599 -12.244 -15.333 12.169 1.00 0.00 C ATOM 0 H LEU A 599 -11.090 -14.427 15.507 1.00 0.00 H new ATOM 0 HA LEU A 599 -13.644 -15.125 14.520 1.00 0.00 H new ATOM 0 HB2 LEU A 599 -11.227 -16.898 15.120 1.00 0.00 H new ATOM 0 HB3 LEU A 599 -12.592 -17.359 14.122 1.00 0.00 H new ATOM 0 HG LEU A 599 -10.586 -15.151 13.494 1.00 0.00 H new ATOM 0 HD11 LEU A 599 -9.849 -16.614 11.650 1.00 0.00 H new ATOM 0 HD12 LEU A 599 -9.595 -17.361 13.245 1.00 0.00 H new ATOM 0 HD13 LEU A 599 -10.955 -17.885 12.223 1.00 0.00 H new ATOM 0 HD21 LEU A 599 -11.701 -14.954 11.303 1.00 0.00 H new ATOM 0 HD22 LEU A 599 -12.958 -16.091 11.847 1.00 0.00 H new ATOM 0 HD23 LEU A 599 -12.778 -14.513 12.649 1.00 0.00 H new ATOM 841 N VAL A 600 -12.749 -16.537 17.398 1.00 0.00 N ATOM 842 CA VAL A 600 -13.191 -17.347 18.539 1.00 0.00 C ATOM 843 C VAL A 600 -14.210 -16.573 19.399 1.00 0.00 C ATOM 844 O VAL A 600 -15.188 -17.151 19.870 1.00 0.00 O ATOM 845 CB VAL A 600 -11.968 -17.865 19.411 1.00 0.00 C ATOM 846 CG1 VAL A 600 -11.273 -16.720 20.195 1.00 0.00 C ATOM 847 CG2 VAL A 600 -12.396 -19.028 20.348 1.00 0.00 C ATOM 0 H VAL A 600 -11.775 -16.240 17.457 1.00 0.00 H new ATOM 0 HA VAL A 600 -13.689 -18.231 18.140 1.00 0.00 H new ATOM 0 HB VAL A 600 -11.226 -18.257 18.716 1.00 0.00 H new ATOM 0 HG11 VAL A 600 -10.444 -17.127 20.775 1.00 0.00 H new ATOM 0 HG12 VAL A 600 -10.895 -15.976 19.494 1.00 0.00 H new ATOM 0 HG13 VAL A 600 -11.991 -16.252 20.868 1.00 0.00 H new ATOM 0 HG21 VAL A 600 -11.537 -19.360 20.931 1.00 0.00 H new ATOM 0 HG22 VAL A 600 -13.180 -18.683 21.022 1.00 0.00 H new ATOM 0 HG23 VAL A 600 -12.771 -19.858 19.750 1.00 0.00 H new ATOM 857 N GLU A 601 -14.011 -15.237 19.549 1.00 0.00 N ATOM 858 CA GLU A 601 -14.924 -14.405 20.356 1.00 0.00 C ATOM 859 C GLU A 601 -16.256 -14.183 19.610 1.00 0.00 C ATOM 860 O GLU A 601 -17.306 -14.186 20.239 1.00 0.00 O ATOM 861 CB GLU A 601 -14.286 -13.046 20.762 1.00 0.00 C ATOM 862 CG GLU A 601 -14.035 -12.075 19.597 1.00 0.00 C ATOM 863 CD GLU A 601 -13.424 -10.741 20.038 1.00 0.00 C ATOM 864 OE1 GLU A 601 -12.222 -10.701 20.355 1.00 0.00 O ATOM 865 OE2 GLU A 601 -14.146 -9.728 20.086 1.00 0.00 O ATOM 0 H GLU A 601 -13.237 -14.725 19.126 1.00 0.00 H new ATOM 0 HA GLU A 601 -15.123 -14.949 21.279 1.00 0.00 H new ATOM 0 HB2 GLU A 601 -14.936 -12.559 21.488 1.00 0.00 H new ATOM 0 HB3 GLU A 601 -13.338 -13.242 21.263 1.00 0.00 H new ATOM 0 HG2 GLU A 601 -13.370 -12.550 18.875 1.00 0.00 H new ATOM 0 HG3 GLU A 601 -14.978 -11.883 19.084 1.00 0.00 H new ATOM 872 N MET A 602 -16.205 -14.022 18.262 1.00 0.00 N ATOM 873 CA MET A 602 -17.415 -13.795 17.434 1.00 0.00 C ATOM 874 C MET A 602 -18.309 -15.041 17.403 1.00 0.00 C ATOM 875 O MET A 602 -19.530 -14.928 17.524 1.00 0.00 O ATOM 876 CB MET A 602 -17.062 -13.360 15.974 1.00 0.00 C ATOM 877 CG MET A 602 -16.545 -11.915 15.840 1.00 0.00 C ATOM 878 SD MET A 602 -16.306 -11.390 14.118 1.00 0.00 S ATOM 879 CE MET A 602 -15.089 -12.567 13.514 1.00 0.00 C ATOM 0 H MET A 602 -15.337 -14.046 17.727 1.00 0.00 H new ATOM 0 HA MET A 602 -17.961 -12.977 17.905 1.00 0.00 H new ATOM 0 HB2 MET A 602 -16.307 -14.040 15.579 1.00 0.00 H new ATOM 0 HB3 MET A 602 -17.949 -13.473 15.351 1.00 0.00 H new ATOM 0 HG2 MET A 602 -17.250 -11.239 16.324 1.00 0.00 H new ATOM 0 HG3 MET A 602 -15.599 -11.825 16.374 1.00 0.00 H new ATOM 0 HE1 MET A 602 -14.794 -12.297 12.500 1.00 0.00 H new ATOM 0 HE2 MET A 602 -14.214 -12.551 14.163 1.00 0.00 H new ATOM 0 HE3 MET A 602 -15.521 -13.568 13.512 1.00 0.00 H new ATOM 889 N VAL A 603 -17.695 -16.236 17.258 1.00 0.00 N ATOM 890 CA VAL A 603 -18.456 -17.497 17.164 1.00 0.00 C ATOM 891 C VAL A 603 -19.087 -17.868 18.522 1.00 0.00 C ATOM 892 O VAL A 603 -20.207 -18.372 18.553 1.00 0.00 O ATOM 893 CB VAL A 603 -17.602 -18.700 16.597 1.00 0.00 C ATOM 894 CG1 VAL A 603 -17.067 -18.382 15.173 1.00 0.00 C ATOM 895 CG2 VAL A 603 -16.456 -19.112 17.560 1.00 0.00 C ATOM 0 H VAL A 603 -16.683 -16.352 17.204 1.00 0.00 H new ATOM 0 HA VAL A 603 -19.253 -17.316 16.443 1.00 0.00 H new ATOM 0 HB VAL A 603 -18.267 -19.560 16.520 1.00 0.00 H new ATOM 0 HG11 VAL A 603 -16.483 -19.226 14.807 1.00 0.00 H new ATOM 0 HG12 VAL A 603 -17.906 -18.202 14.501 1.00 0.00 H new ATOM 0 HG13 VAL A 603 -16.436 -17.494 15.211 1.00 0.00 H new ATOM 0 HG21 VAL A 603 -15.898 -19.942 17.127 1.00 0.00 H new ATOM 0 HG22 VAL A 603 -15.787 -18.265 17.713 1.00 0.00 H new ATOM 0 HG23 VAL A 603 -16.878 -19.419 18.517 1.00 0.00 H new ATOM 905 N LYS A 604 -18.375 -17.591 19.641 1.00 0.00 N ATOM 906 CA LYS A 604 -18.892 -17.872 21.001 1.00 0.00 C ATOM 907 C LYS A 604 -19.924 -16.811 21.430 1.00 0.00 C ATOM 908 O LYS A 604 -20.835 -17.120 22.200 1.00 0.00 O ATOM 909 CB LYS A 604 -17.739 -17.947 22.039 1.00 0.00 C ATOM 910 CG LYS A 604 -16.706 -19.066 21.798 1.00 0.00 C ATOM 911 CD LYS A 604 -15.614 -19.171 22.908 1.00 0.00 C ATOM 912 CE LYS A 604 -14.752 -17.891 23.097 1.00 0.00 C ATOM 913 NZ LYS A 604 -15.432 -16.830 23.882 1.00 0.00 N ATOM 0 H LYS A 604 -17.444 -17.175 19.628 1.00 0.00 H new ATOM 0 HA LYS A 604 -19.385 -18.843 20.967 1.00 0.00 H new ATOM 0 HB2 LYS A 604 -17.218 -16.990 22.048 1.00 0.00 H new ATOM 0 HB3 LYS A 604 -18.173 -18.083 23.030 1.00 0.00 H new ATOM 0 HG2 LYS A 604 -17.229 -20.020 21.726 1.00 0.00 H new ATOM 0 HG3 LYS A 604 -16.219 -18.896 20.838 1.00 0.00 H new ATOM 0 HD2 LYS A 604 -16.100 -19.408 23.855 1.00 0.00 H new ATOM 0 HD3 LYS A 604 -14.954 -20.005 22.671 1.00 0.00 H new ATOM 0 HE2 LYS A 604 -13.821 -18.160 23.595 1.00 0.00 H new ATOM 0 HE3 LYS A 604 -14.486 -17.493 22.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 604 -15.580 -15.995 23.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 604 -16.351 -17.182 24.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 604 -14.842 -16.569 24.697 1.00 0.00 H new ATOM 927 N ALA A 605 -19.775 -15.560 20.932 1.00 0.00 N ATOM 928 CA ALA A 605 -20.716 -14.449 21.239 1.00 0.00 C ATOM 929 C ALA A 605 -22.032 -14.629 20.475 1.00 0.00 C ATOM 930 O ALA A 605 -23.109 -14.401 21.021 1.00 0.00 O ATOM 931 CB ALA A 605 -20.087 -13.078 20.921 1.00 0.00 C ATOM 0 H ALA A 605 -19.010 -15.292 20.313 1.00 0.00 H new ATOM 0 HA ALA A 605 -20.929 -14.479 22.308 1.00 0.00 H new ATOM 0 HB1 ALA A 605 -20.800 -12.287 21.156 1.00 0.00 H new ATOM 0 HB2 ALA A 605 -19.186 -12.944 21.519 1.00 0.00 H new ATOM 0 HB3 ALA A 605 -19.830 -13.032 19.863 1.00 0.00 H new ATOM 937 N LYS A 606 -21.922 -15.063 19.211 1.00 0.00 N ATOM 938 CA LYS A 606 -23.086 -15.323 18.341 1.00 0.00 C ATOM 939 C LYS A 606 -23.792 -16.623 18.774 1.00 0.00 C ATOM 940 O LYS A 606 -25.017 -16.745 18.656 1.00 0.00 O ATOM 941 CB LYS A 606 -22.630 -15.392 16.864 1.00 0.00 C ATOM 942 CG LYS A 606 -23.755 -15.618 15.832 1.00 0.00 C ATOM 943 CD LYS A 606 -23.263 -15.452 14.370 1.00 0.00 C ATOM 944 CE LYS A 606 -22.096 -16.392 14.002 1.00 0.00 C ATOM 945 NZ LYS A 606 -22.475 -17.824 14.100 1.00 0.00 N ATOM 0 H LYS A 606 -21.025 -15.245 18.760 1.00 0.00 H new ATOM 0 HA LYS A 606 -23.802 -14.507 18.438 1.00 0.00 H new ATOM 0 HB2 LYS A 606 -22.115 -14.464 16.617 1.00 0.00 H new ATOM 0 HB3 LYS A 606 -21.902 -16.197 16.764 1.00 0.00 H new ATOM 0 HG2 LYS A 606 -24.167 -16.619 15.962 1.00 0.00 H new ATOM 0 HG3 LYS A 606 -24.564 -14.913 16.022 1.00 0.00 H new ATOM 0 HD2 LYS A 606 -24.096 -15.637 13.692 1.00 0.00 H new ATOM 0 HD3 LYS A 606 -22.950 -14.419 14.216 1.00 0.00 H new ATOM 0 HE2 LYS A 606 -21.764 -16.175 12.987 1.00 0.00 H new ATOM 0 HE3 LYS A 606 -21.252 -16.196 14.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 606 -21.660 -18.417 13.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 606 -22.768 -18.040 15.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 606 -23.263 -18.020 13.451 1.00 0.00 H new ATOM 959 N LYS A 607 -22.992 -17.588 19.288 1.00 0.00 N ATOM 960 CA LYS A 607 -23.521 -18.819 19.907 1.00 0.00 C ATOM 961 C LYS A 607 -24.298 -18.466 21.182 1.00 0.00 C ATOM 962 O LYS A 607 -25.415 -18.923 21.363 1.00 0.00 O ATOM 963 CB LYS A 607 -22.390 -19.844 20.224 1.00 0.00 C ATOM 964 CG LYS A 607 -22.835 -21.091 21.048 1.00 0.00 C ATOM 965 CD LYS A 607 -23.910 -21.985 20.345 1.00 0.00 C ATOM 966 CE LYS A 607 -23.342 -22.948 19.282 1.00 0.00 C ATOM 967 NZ LYS A 607 -22.730 -22.243 18.137 1.00 0.00 N ATOM 0 H LYS A 607 -21.973 -17.533 19.284 1.00 0.00 H new ATOM 0 HA LYS A 607 -24.193 -19.292 19.191 1.00 0.00 H new ATOM 0 HB2 LYS A 607 -21.957 -20.186 19.284 1.00 0.00 H new ATOM 0 HB3 LYS A 607 -21.599 -19.330 20.771 1.00 0.00 H new ATOM 0 HG2 LYS A 607 -21.957 -21.701 21.262 1.00 0.00 H new ATOM 0 HG3 LYS A 607 -23.231 -20.755 22.006 1.00 0.00 H new ATOM 0 HD2 LYS A 607 -24.432 -22.568 21.104 1.00 0.00 H new ATOM 0 HD3 LYS A 607 -24.650 -21.339 19.874 1.00 0.00 H new ATOM 0 HE2 LYS A 607 -22.596 -23.594 19.745 1.00 0.00 H new ATOM 0 HE3 LYS A 607 -24.142 -23.594 18.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 607 -22.828 -22.823 17.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 607 -23.209 -21.331 17.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 607 -21.722 -22.078 18.330 1.00 0.00 H new ATOM 981 N ALA A 608 -23.689 -17.626 22.042 1.00 0.00 N ATOM 982 CA ALA A 608 -24.295 -17.171 23.313 1.00 0.00 C ATOM 983 C ALA A 608 -25.588 -16.379 23.053 1.00 0.00 C ATOM 984 O ALA A 608 -26.569 -16.515 23.789 1.00 0.00 O ATOM 985 CB ALA A 608 -23.291 -16.315 24.108 1.00 0.00 C ATOM 0 H ALA A 608 -22.759 -17.241 21.876 1.00 0.00 H new ATOM 0 HA ALA A 608 -24.550 -18.051 23.903 1.00 0.00 H new ATOM 0 HB1 ALA A 608 -23.751 -15.987 25.040 1.00 0.00 H new ATOM 0 HB2 ALA A 608 -22.403 -16.907 24.329 1.00 0.00 H new ATOM 0 HB3 ALA A 608 -23.008 -15.444 23.517 1.00 0.00 H new