USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 616 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 Single : A 552 THR OG1 : rot 180:sc= 0.00514 USER MOD Single : A 555 THR OG1 : rot -73:sc= 0.511 USER MOD Single : A 556 THR OG1 : rot 180:sc= 0 USER MOD Single : A 559 GLN : amide:sc= -2.64! C(o=-2.6!,f=-8.1!) USER MOD Single : A 560 LYS NZ :NH3+ 180:sc= 0.63 (180deg=0.63) USER MOD Single : A 564 GLN :FLIP amide:sc= -1.07 F(o=-2.5!,f=-1.1) USER MOD Single : A 567 LYS NZ :NH3+ -147:sc= 0.101 (180deg=-0.287) USER MOD Single : A 568 THR OG1 : rot 85:sc= 1.2 USER MOD Single : A 569 TYR OH : rot 180:sc= 0 USER MOD Single : A 572 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 573 THR OG1 : rot -170:sc= -0.343 USER MOD Single : A 578 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 579 LYS NZ :NH3+ 165:sc= -0.0344 (180deg=-0.266) USER MOD Single : A 588 THR OG1 : rot 173:sc= -0.0139 USER MOD Single : A 589 LYS NZ :NH3+ -133:sc= 1.03 (180deg=0.347) USER MOD Single : A 590 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 592 CYS SG : rot 68:sc= 1.06 USER MOD Single : A 593 MET CE :methyl -123:sc= 0 (180deg=-1.71!) USER MOD Single : A 594 LYS NZ :NH3+ 176:sc= 0.608 (180deg=0.588) USER MOD Single : A 596 TYR OH : rot 30:sc= 0.188 USER MOD Single : A 597 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 602 MET CE :methyl 168:sc= -0.013 (180deg=-0.22) USER MOD Single : A 604 LYS NZ :NH3+ -163:sc= 0.627 (180deg=0.469) USER MOD Single : A 606 LYS NZ :NH3+ -106:sc= -0.742 (180deg=-2.68!) USER MOD Single : A 607 LYS NZ :NH3+ -109:sc= 0.567 (180deg=0.0661) USER MOD Single : A 610 GLN : amide:sc= -0.094 X(o=-0.094,f=-0.34) USER MOD Single : A 612 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 615 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 617 SER OG : rot 180:sc= 0 USER MOD Single : A 620 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 621 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 551 -1.190 -4.009 7.252 1.00 0.00 N ATOM 2 CA PHE A 551 -1.455 -5.175 6.383 1.00 0.00 C ATOM 3 C PHE A 551 -2.778 -5.002 5.625 1.00 0.00 C ATOM 4 O PHE A 551 -3.680 -4.285 6.083 1.00 0.00 O ATOM 5 CB PHE A 551 -1.481 -6.488 7.220 1.00 0.00 C ATOM 6 CG PHE A 551 -2.687 -6.647 8.160 1.00 0.00 C ATOM 7 CD1 PHE A 551 -2.871 -5.800 9.252 1.00 0.00 C ATOM 8 CD2 PHE A 551 -3.653 -7.636 7.937 1.00 0.00 C ATOM 9 CE1 PHE A 551 -3.967 -5.937 10.083 1.00 0.00 C ATOM 10 CE2 PHE A 551 -4.749 -7.770 8.768 1.00 0.00 C ATOM 11 CZ PHE A 551 -4.905 -6.917 9.838 1.00 0.00 C ATOM 0 HA PHE A 551 -0.647 -5.242 5.654 1.00 0.00 H new ATOM 0 HB2 PHE A 551 -1.461 -7.336 6.535 1.00 0.00 H new ATOM 0 HB3 PHE A 551 -0.569 -6.538 7.815 1.00 0.00 H new ATOM 0 HD1 PHE A 551 -2.146 -5.025 9.452 1.00 0.00 H new ATOM 0 HD2 PHE A 551 -3.539 -8.307 7.099 1.00 0.00 H new ATOM 0 HE1 PHE A 551 -4.089 -5.274 10.927 1.00 0.00 H new ATOM 0 HE2 PHE A 551 -5.481 -8.541 8.579 1.00 0.00 H new ATOM 0 HZ PHE A 551 -5.763 -7.016 10.486 1.00 0.00 H new ATOM 21 N THR A 552 -2.879 -5.667 4.470 1.00 0.00 N ATOM 22 CA THR A 552 -4.139 -5.814 3.728 1.00 0.00 C ATOM 23 C THR A 552 -5.031 -6.865 4.431 1.00 0.00 C ATOM 24 O THR A 552 -4.514 -7.910 4.835 1.00 0.00 O ATOM 25 CB THR A 552 -3.858 -6.228 2.242 1.00 0.00 C ATOM 26 OG1 THR A 552 -2.943 -7.334 2.211 1.00 0.00 O ATOM 27 CG2 THR A 552 -3.269 -5.056 1.423 1.00 0.00 C ATOM 0 H THR A 552 -2.085 -6.122 4.019 1.00 0.00 H new ATOM 0 HA THR A 552 -4.661 -4.857 3.715 1.00 0.00 H new ATOM 0 HB THR A 552 -4.809 -6.513 1.792 1.00 0.00 H new ATOM 0 HG1 THR A 552 -2.771 -7.591 1.281 1.00 0.00 H new ATOM 0 HG21 THR A 552 -3.088 -5.382 0.399 1.00 0.00 H new ATOM 0 HG22 THR A 552 -3.973 -4.224 1.420 1.00 0.00 H new ATOM 0 HG23 THR A 552 -2.330 -4.734 1.872 1.00 0.00 H new ATOM 35 N PRO A 553 -6.374 -6.599 4.601 1.00 0.00 N ATOM 36 CA PRO A 553 -7.300 -7.505 5.343 1.00 0.00 C ATOM 37 C PRO A 553 -7.348 -8.946 4.771 1.00 0.00 C ATOM 38 O PRO A 553 -7.101 -9.169 3.577 1.00 0.00 O ATOM 39 CB PRO A 553 -8.683 -6.798 5.226 1.00 0.00 C ATOM 40 CG PRO A 553 -8.535 -5.857 4.066 1.00 0.00 C ATOM 41 CD PRO A 553 -7.096 -5.395 4.107 1.00 0.00 C ATOM 0 HA PRO A 553 -6.973 -7.649 6.373 1.00 0.00 H new ATOM 0 HB2 PRO A 553 -9.482 -7.518 5.052 1.00 0.00 H new ATOM 0 HB3 PRO A 553 -8.932 -6.261 6.142 1.00 0.00 H new ATOM 0 HG2 PRO A 553 -8.761 -6.356 3.124 1.00 0.00 H new ATOM 0 HG3 PRO A 553 -9.221 -5.015 4.153 1.00 0.00 H new ATOM 0 HD2 PRO A 553 -6.742 -5.087 3.123 1.00 0.00 H new ATOM 0 HD3 PRO A 553 -6.964 -4.543 4.774 1.00 0.00 H new ATOM 49 N TRP A 554 -7.643 -9.904 5.662 1.00 0.00 N ATOM 50 CA TRP A 554 -7.770 -11.329 5.324 1.00 0.00 C ATOM 51 C TRP A 554 -9.004 -11.569 4.430 1.00 0.00 C ATOM 52 O TRP A 554 -10.141 -11.356 4.870 1.00 0.00 O ATOM 53 CB TRP A 554 -7.894 -12.170 6.617 1.00 0.00 C ATOM 54 CG TRP A 554 -6.665 -12.206 7.513 1.00 0.00 C ATOM 55 CD1 TRP A 554 -6.125 -11.179 8.242 1.00 0.00 C ATOM 56 CD2 TRP A 554 -5.864 -13.357 7.800 1.00 0.00 C ATOM 57 NE1 TRP A 554 -5.039 -11.625 8.951 1.00 0.00 N ATOM 58 CE2 TRP A 554 -4.855 -12.957 8.697 1.00 0.00 C ATOM 59 CE3 TRP A 554 -5.906 -14.688 7.381 1.00 0.00 C ATOM 60 CZ2 TRP A 554 -3.898 -13.846 9.184 1.00 0.00 C ATOM 61 CZ3 TRP A 554 -4.955 -15.566 7.862 1.00 0.00 C ATOM 62 CH2 TRP A 554 -3.962 -15.143 8.754 1.00 0.00 C ATOM 0 H TRP A 554 -7.802 -9.708 6.650 1.00 0.00 H new ATOM 0 HA TRP A 554 -6.877 -11.633 4.777 1.00 0.00 H new ATOM 0 HB2 TRP A 554 -8.731 -11.784 7.198 1.00 0.00 H new ATOM 0 HB3 TRP A 554 -8.145 -13.193 6.338 1.00 0.00 H new ATOM 0 HD1 TRP A 554 -6.500 -10.166 8.256 1.00 0.00 H new ATOM 0 HE1 TRP A 554 -4.461 -11.055 9.569 1.00 0.00 H new ATOM 0 HE3 TRP A 554 -6.668 -15.025 6.694 1.00 0.00 H new ATOM 0 HZ2 TRP A 554 -3.134 -13.523 9.875 1.00 0.00 H new ATOM 0 HZ3 TRP A 554 -4.977 -16.598 7.544 1.00 0.00 H new ATOM 0 HH2 TRP A 554 -3.232 -15.855 9.110 1.00 0.00 H new ATOM 73 N THR A 555 -8.765 -11.992 3.180 1.00 0.00 N ATOM 74 CA THR A 555 -9.837 -12.375 2.240 1.00 0.00 C ATOM 75 C THR A 555 -10.357 -13.784 2.575 1.00 0.00 C ATOM 76 O THR A 555 -9.729 -14.504 3.350 1.00 0.00 O ATOM 77 CB THR A 555 -9.338 -12.315 0.767 1.00 0.00 C ATOM 78 OG1 THR A 555 -8.269 -13.246 0.574 1.00 0.00 O ATOM 79 CG2 THR A 555 -8.853 -10.907 0.381 1.00 0.00 C ATOM 0 H THR A 555 -7.827 -12.079 2.790 1.00 0.00 H new ATOM 0 HA THR A 555 -10.655 -11.662 2.346 1.00 0.00 H new ATOM 0 HB THR A 555 -10.183 -12.572 0.128 1.00 0.00 H new ATOM 0 HG1 THR A 555 -7.461 -12.913 1.017 1.00 0.00 H new ATOM 0 HG21 THR A 555 -8.514 -10.910 -0.655 1.00 0.00 H new ATOM 0 HG22 THR A 555 -9.672 -10.197 0.492 1.00 0.00 H new ATOM 0 HG23 THR A 555 -8.029 -10.615 1.032 1.00 0.00 H new ATOM 87 N THR A 556 -11.490 -14.172 1.964 1.00 0.00 N ATOM 88 CA THR A 556 -12.227 -15.402 2.327 1.00 0.00 C ATOM 89 C THR A 556 -11.423 -16.695 2.014 1.00 0.00 C ATOM 90 O THR A 556 -11.603 -17.724 2.683 1.00 0.00 O ATOM 91 CB THR A 556 -13.610 -15.432 1.606 1.00 0.00 C ATOM 92 OG1 THR A 556 -14.251 -14.161 1.788 1.00 0.00 O ATOM 93 CG2 THR A 556 -14.551 -16.533 2.141 1.00 0.00 C ATOM 0 H THR A 556 -11.923 -13.645 1.205 1.00 0.00 H new ATOM 0 HA THR A 556 -12.380 -15.379 3.406 1.00 0.00 H new ATOM 0 HB THR A 556 -13.419 -15.648 0.555 1.00 0.00 H new ATOM 0 HG1 THR A 556 -15.121 -14.166 1.338 1.00 0.00 H new ATOM 0 HG21 THR A 556 -15.495 -16.500 1.598 1.00 0.00 H new ATOM 0 HG22 THR A 556 -14.086 -17.509 2.001 1.00 0.00 H new ATOM 0 HG23 THR A 556 -14.737 -16.369 3.202 1.00 0.00 H new ATOM 101 N GLU A 557 -10.530 -16.617 1.008 1.00 0.00 N ATOM 102 CA GLU A 557 -9.598 -17.721 0.666 1.00 0.00 C ATOM 103 C GLU A 557 -8.466 -17.809 1.714 1.00 0.00 C ATOM 104 O GLU A 557 -8.108 -18.901 2.153 1.00 0.00 O ATOM 105 CB GLU A 557 -9.012 -17.582 -0.783 1.00 0.00 C ATOM 106 CG GLU A 557 -8.466 -16.176 -1.163 1.00 0.00 C ATOM 107 CD GLU A 557 -9.497 -15.293 -1.900 1.00 0.00 C ATOM 108 OE1 GLU A 557 -10.392 -14.718 -1.248 1.00 0.00 O ATOM 109 OE2 GLU A 557 -9.426 -15.184 -3.144 1.00 0.00 O ATOM 0 H GLU A 557 -10.431 -15.796 0.411 1.00 0.00 H new ATOM 0 HA GLU A 557 -10.170 -18.648 0.684 1.00 0.00 H new ATOM 0 HB2 GLU A 557 -8.206 -18.307 -0.899 1.00 0.00 H new ATOM 0 HB3 GLU A 557 -9.790 -17.853 -1.496 1.00 0.00 H new ATOM 0 HG2 GLU A 557 -8.142 -15.664 -0.257 1.00 0.00 H new ATOM 0 HG3 GLU A 557 -7.585 -16.295 -1.794 1.00 0.00 H new ATOM 116 N GLU A 558 -7.935 -16.636 2.131 1.00 0.00 N ATOM 117 CA GLU A 558 -6.893 -16.550 3.188 1.00 0.00 C ATOM 118 C GLU A 558 -7.465 -16.969 4.556 1.00 0.00 C ATOM 119 O GLU A 558 -6.731 -17.465 5.425 1.00 0.00 O ATOM 120 CB GLU A 558 -6.302 -15.121 3.263 1.00 0.00 C ATOM 121 CG GLU A 558 -5.605 -14.678 1.968 1.00 0.00 C ATOM 122 CD GLU A 558 -5.048 -13.253 2.064 1.00 0.00 C ATOM 123 OE1 GLU A 558 -5.844 -12.280 2.007 1.00 0.00 O ATOM 124 OE2 GLU A 558 -3.821 -13.091 2.242 1.00 0.00 O ATOM 0 H GLU A 558 -8.211 -15.731 1.751 1.00 0.00 H new ATOM 0 HA GLU A 558 -6.091 -17.240 2.926 1.00 0.00 H new ATOM 0 HB2 GLU A 558 -7.101 -14.417 3.495 1.00 0.00 H new ATOM 0 HB3 GLU A 558 -5.588 -15.074 4.085 1.00 0.00 H new ATOM 0 HG2 GLU A 558 -4.793 -15.368 1.741 1.00 0.00 H new ATOM 0 HG3 GLU A 558 -6.312 -14.734 1.140 1.00 0.00 H new ATOM 131 N GLN A 559 -8.792 -16.768 4.709 1.00 0.00 N ATOM 132 CA GLN A 559 -9.556 -17.165 5.896 1.00 0.00 C ATOM 133 C GLN A 559 -9.597 -18.678 6.020 1.00 0.00 C ATOM 134 O GLN A 559 -9.224 -19.211 7.055 1.00 0.00 O ATOM 135 CB GLN A 559 -11.007 -16.579 5.862 1.00 0.00 C ATOM 136 CG GLN A 559 -11.092 -15.112 6.300 1.00 0.00 C ATOM 137 CD GLN A 559 -10.646 -14.931 7.752 1.00 0.00 C ATOM 138 OE1 GLN A 559 -11.454 -15.052 8.669 1.00 0.00 O ATOM 139 NE2 GLN A 559 -9.354 -14.712 7.979 1.00 0.00 N ATOM 0 H GLN A 559 -9.365 -16.317 3.996 1.00 0.00 H new ATOM 0 HA GLN A 559 -9.051 -16.755 6.771 1.00 0.00 H new ATOM 0 HB2 GLN A 559 -11.402 -16.670 4.850 1.00 0.00 H new ATOM 0 HB3 GLN A 559 -11.647 -17.179 6.509 1.00 0.00 H new ATOM 0 HG2 GLN A 559 -10.468 -14.500 5.648 1.00 0.00 H new ATOM 0 HG3 GLN A 559 -12.116 -14.757 6.186 1.00 0.00 H new ATOM 0 HE21 GLN A 559 -8.708 -14.616 7.196 1.00 0.00 H new ATOM 0 HE22 GLN A 559 -9.009 -14.640 8.936 1.00 0.00 H new ATOM 148 N LYS A 560 -10.029 -19.369 4.942 1.00 0.00 N ATOM 149 CA LYS A 560 -10.170 -20.838 4.966 1.00 0.00 C ATOM 150 C LYS A 560 -8.801 -21.543 5.067 1.00 0.00 C ATOM 151 O LYS A 560 -8.743 -22.676 5.540 1.00 0.00 O ATOM 152 CB LYS A 560 -10.974 -21.372 3.755 1.00 0.00 C ATOM 153 CG LYS A 560 -10.328 -21.144 2.376 1.00 0.00 C ATOM 154 CD LYS A 560 -11.132 -21.788 1.224 1.00 0.00 C ATOM 155 CE LYS A 560 -12.589 -21.291 1.154 1.00 0.00 C ATOM 156 NZ LYS A 560 -12.689 -19.821 0.951 1.00 0.00 N ATOM 0 H LYS A 560 -10.283 -18.937 4.054 1.00 0.00 H new ATOM 0 HA LYS A 560 -10.739 -21.076 5.865 1.00 0.00 H new ATOM 0 HB2 LYS A 560 -11.132 -22.442 3.890 1.00 0.00 H new ATOM 0 HB3 LYS A 560 -11.957 -20.901 3.758 1.00 0.00 H new ATOM 0 HG2 LYS A 560 -10.237 -20.073 2.195 1.00 0.00 H new ATOM 0 HG3 LYS A 560 -9.318 -21.553 2.381 1.00 0.00 H new ATOM 0 HD2 LYS A 560 -10.635 -21.574 0.278 1.00 0.00 H new ATOM 0 HD3 LYS A 560 -11.129 -22.871 1.348 1.00 0.00 H new ATOM 0 HE2 LYS A 560 -13.103 -21.801 0.339 1.00 0.00 H new ATOM 0 HE3 LYS A 560 -13.105 -21.562 2.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 560 -13.690 -19.543 0.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 560 -12.224 -19.329 1.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 560 -12.222 -19.561 0.059 1.00 0.00 H new ATOM 170 N LEU A 561 -7.714 -20.862 4.622 1.00 0.00 N ATOM 171 CA LEU A 561 -6.324 -21.339 4.822 1.00 0.00 C ATOM 172 C LEU A 561 -5.993 -21.364 6.322 1.00 0.00 C ATOM 173 O LEU A 561 -5.457 -22.355 6.832 1.00 0.00 O ATOM 174 CB LEU A 561 -5.298 -20.437 4.076 1.00 0.00 C ATOM 175 CG LEU A 561 -5.346 -20.479 2.518 1.00 0.00 C ATOM 176 CD1 LEU A 561 -4.338 -19.481 1.900 1.00 0.00 C ATOM 177 CD2 LEU A 561 -5.132 -21.919 1.999 1.00 0.00 C ATOM 0 H LEU A 561 -7.776 -19.976 4.120 1.00 0.00 H new ATOM 0 HA LEU A 561 -6.253 -22.346 4.410 1.00 0.00 H new ATOM 0 HB2 LEU A 561 -5.453 -19.406 4.395 1.00 0.00 H new ATOM 0 HB3 LEU A 561 -4.296 -20.723 4.395 1.00 0.00 H new ATOM 0 HG LEU A 561 -6.340 -20.165 2.198 1.00 0.00 H new ATOM 0 HD11 LEU A 561 -4.395 -19.533 0.813 1.00 0.00 H new ATOM 0 HD12 LEU A 561 -4.580 -18.470 2.228 1.00 0.00 H new ATOM 0 HD13 LEU A 561 -3.329 -19.736 2.223 1.00 0.00 H new ATOM 0 HD21 LEU A 561 -5.170 -21.923 0.910 1.00 0.00 H new ATOM 0 HD22 LEU A 561 -4.160 -22.284 2.330 1.00 0.00 H new ATOM 0 HD23 LEU A 561 -5.916 -22.567 2.391 1.00 0.00 H new ATOM 189 N LEU A 562 -6.332 -20.257 7.011 1.00 0.00 N ATOM 190 CA LEU A 562 -6.136 -20.130 8.466 1.00 0.00 C ATOM 191 C LEU A 562 -7.006 -21.168 9.202 1.00 0.00 C ATOM 192 O LEU A 562 -6.510 -21.904 10.041 1.00 0.00 O ATOM 193 CB LEU A 562 -6.463 -18.687 8.950 1.00 0.00 C ATOM 194 CG LEU A 562 -6.184 -18.389 10.462 1.00 0.00 C ATOM 195 CD1 LEU A 562 -4.685 -18.547 10.809 1.00 0.00 C ATOM 196 CD2 LEU A 562 -6.734 -17.000 10.871 1.00 0.00 C ATOM 0 H LEU A 562 -6.746 -19.432 6.577 1.00 0.00 H new ATOM 0 HA LEU A 562 -5.088 -20.323 8.696 1.00 0.00 H new ATOM 0 HB2 LEU A 562 -5.886 -17.984 8.349 1.00 0.00 H new ATOM 0 HB3 LEU A 562 -7.516 -18.488 8.749 1.00 0.00 H new ATOM 0 HG LEU A 562 -6.721 -19.134 11.050 1.00 0.00 H new ATOM 0 HD11 LEU A 562 -4.532 -18.332 11.867 1.00 0.00 H new ATOM 0 HD12 LEU A 562 -4.368 -19.568 10.597 1.00 0.00 H new ATOM 0 HD13 LEU A 562 -4.097 -17.852 10.209 1.00 0.00 H new ATOM 0 HD21 LEU A 562 -6.525 -16.822 11.926 1.00 0.00 H new ATOM 0 HD22 LEU A 562 -6.254 -16.227 10.271 1.00 0.00 H new ATOM 0 HD23 LEU A 562 -7.811 -16.972 10.705 1.00 0.00 H new ATOM 208 N GLU A 563 -8.285 -21.252 8.786 1.00 0.00 N ATOM 209 CA GLU A 563 -9.308 -22.116 9.404 1.00 0.00 C ATOM 210 C GLU A 563 -8.892 -23.592 9.378 1.00 0.00 C ATOM 211 O GLU A 563 -8.844 -24.221 10.425 1.00 0.00 O ATOM 212 CB GLU A 563 -10.674 -21.950 8.693 1.00 0.00 C ATOM 213 CG GLU A 563 -11.383 -20.612 8.947 1.00 0.00 C ATOM 214 CD GLU A 563 -12.711 -20.522 8.181 1.00 0.00 C ATOM 215 OE1 GLU A 563 -13.699 -21.164 8.609 1.00 0.00 O ATOM 216 OE2 GLU A 563 -12.767 -19.858 7.124 1.00 0.00 O ATOM 0 H GLU A 563 -8.641 -20.712 7.998 1.00 0.00 H new ATOM 0 HA GLU A 563 -9.404 -21.803 10.444 1.00 0.00 H new ATOM 0 HB2 GLU A 563 -10.524 -22.066 7.620 1.00 0.00 H new ATOM 0 HB3 GLU A 563 -11.332 -22.758 9.011 1.00 0.00 H new ATOM 0 HG2 GLU A 563 -11.569 -20.495 10.015 1.00 0.00 H new ATOM 0 HG3 GLU A 563 -10.732 -19.791 8.645 1.00 0.00 H new ATOM 223 N GLN A 564 -8.566 -24.128 8.174 1.00 0.00 N ATOM 224 CA GLN A 564 -8.206 -25.560 8.011 1.00 0.00 C ATOM 225 C GLN A 564 -6.961 -25.903 8.841 1.00 0.00 C ATOM 226 O GLN A 564 -6.828 -27.024 9.333 1.00 0.00 O ATOM 227 CB GLN A 564 -8.031 -25.950 6.500 1.00 0.00 C ATOM 228 CG GLN A 564 -6.925 -25.196 5.698 1.00 0.00 C ATOM 229 CD GLN A 564 -5.496 -25.722 5.892 1.00 0.00 C ATOM 230 OE1 GLN A 564 -4.498 -24.852 5.758 1.00 0.00 O flip ATOM 231 NE2 GLN A 564 -5.290 -26.909 6.145 1.00 0.00 N flip ATOM 0 H GLN A 564 -8.545 -23.593 7.306 1.00 0.00 H new ATOM 0 HA GLN A 564 -9.034 -26.159 8.391 1.00 0.00 H new ATOM 0 HB2 GLN A 564 -7.819 -27.018 6.448 1.00 0.00 H new ATOM 0 HB3 GLN A 564 -8.984 -25.789 5.996 1.00 0.00 H new ATOM 0 HG2 GLN A 564 -7.171 -25.246 4.637 1.00 0.00 H new ATOM 0 HG3 GLN A 564 -6.948 -24.144 5.981 1.00 0.00 H new ATOM 0 HE21 GLN A 564 -6.075 -27.553 6.242 1.00 0.00 H new ATOM 0 HE22 GLN A 564 -4.335 -27.248 6.257 1.00 0.00 H new ATOM 240 N ALA A 565 -6.069 -24.915 9.014 1.00 0.00 N ATOM 241 CA ALA A 565 -4.855 -25.063 9.836 1.00 0.00 C ATOM 242 C ALA A 565 -5.205 -25.072 11.346 1.00 0.00 C ATOM 243 O ALA A 565 -4.572 -25.770 12.134 1.00 0.00 O ATOM 244 CB ALA A 565 -3.863 -23.946 9.496 1.00 0.00 C ATOM 0 H ALA A 565 -6.167 -23.993 8.590 1.00 0.00 H new ATOM 0 HA ALA A 565 -4.387 -26.021 9.610 1.00 0.00 H new ATOM 0 HB1 ALA A 565 -2.966 -24.058 10.105 1.00 0.00 H new ATOM 0 HB2 ALA A 565 -3.595 -24.006 8.441 1.00 0.00 H new ATOM 0 HB3 ALA A 565 -4.321 -22.978 9.699 1.00 0.00 H new ATOM 250 N LEU A 566 -6.238 -24.300 11.725 1.00 0.00 N ATOM 251 CA LEU A 566 -6.772 -24.253 13.110 1.00 0.00 C ATOM 252 C LEU A 566 -7.590 -25.523 13.430 1.00 0.00 C ATOM 253 O LEU A 566 -7.705 -25.918 14.593 1.00 0.00 O ATOM 254 CB LEU A 566 -7.671 -22.997 13.284 1.00 0.00 C ATOM 255 CG LEU A 566 -6.961 -21.616 13.099 1.00 0.00 C ATOM 256 CD1 LEU A 566 -7.997 -20.481 12.917 1.00 0.00 C ATOM 257 CD2 LEU A 566 -5.974 -21.338 14.258 1.00 0.00 C ATOM 0 H LEU A 566 -6.734 -23.685 11.080 1.00 0.00 H new ATOM 0 HA LEU A 566 -5.930 -24.201 13.800 1.00 0.00 H new ATOM 0 HB2 LEU A 566 -8.492 -23.060 12.569 1.00 0.00 H new ATOM 0 HB3 LEU A 566 -8.113 -23.026 14.280 1.00 0.00 H new ATOM 0 HG LEU A 566 -6.369 -21.653 12.185 1.00 0.00 H new ATOM 0 HD11 LEU A 566 -7.478 -19.531 12.790 1.00 0.00 H new ATOM 0 HD12 LEU A 566 -8.606 -20.682 12.036 1.00 0.00 H new ATOM 0 HD13 LEU A 566 -8.638 -20.429 13.797 1.00 0.00 H new ATOM 0 HD21 LEU A 566 -5.495 -20.371 14.104 1.00 0.00 H new ATOM 0 HD22 LEU A 566 -6.517 -21.327 15.203 1.00 0.00 H new ATOM 0 HD23 LEU A 566 -5.215 -22.120 14.285 1.00 0.00 H new ATOM 269 N LYS A 567 -8.165 -26.137 12.382 1.00 0.00 N ATOM 270 CA LYS A 567 -9.031 -27.335 12.485 1.00 0.00 C ATOM 271 C LYS A 567 -8.181 -28.618 12.445 1.00 0.00 C ATOM 272 O LYS A 567 -8.604 -29.661 12.955 1.00 0.00 O ATOM 273 CB LYS A 567 -10.091 -27.306 11.336 1.00 0.00 C ATOM 274 CG LYS A 567 -11.085 -26.122 11.449 1.00 0.00 C ATOM 275 CD LYS A 567 -11.899 -25.872 10.157 1.00 0.00 C ATOM 276 CE LYS A 567 -12.765 -24.600 10.262 1.00 0.00 C ATOM 277 NZ LYS A 567 -13.408 -24.250 8.973 1.00 0.00 N ATOM 0 H LYS A 567 -8.042 -25.814 11.422 1.00 0.00 H new ATOM 0 HA LYS A 567 -9.558 -27.328 13.439 1.00 0.00 H new ATOM 0 HB2 LYS A 567 -9.576 -27.249 10.377 1.00 0.00 H new ATOM 0 HB3 LYS A 567 -10.649 -28.242 11.342 1.00 0.00 H new ATOM 0 HG2 LYS A 567 -11.774 -26.314 12.271 1.00 0.00 H new ATOM 0 HG3 LYS A 567 -10.532 -25.217 11.701 1.00 0.00 H new ATOM 0 HD2 LYS A 567 -11.218 -25.779 9.311 1.00 0.00 H new ATOM 0 HD3 LYS A 567 -12.539 -26.732 9.959 1.00 0.00 H new ATOM 0 HE2 LYS A 567 -13.534 -24.748 11.021 1.00 0.00 H new ATOM 0 HE3 LYS A 567 -12.145 -23.767 10.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 567 -13.488 -23.216 8.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 567 -12.831 -24.613 8.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 567 -14.356 -24.675 8.931 1.00 0.00 H new ATOM 291 N THR A 568 -6.986 -28.530 11.825 1.00 0.00 N ATOM 292 CA THR A 568 -6.000 -29.628 11.816 1.00 0.00 C ATOM 293 C THR A 568 -5.169 -29.600 13.115 1.00 0.00 C ATOM 294 O THR A 568 -5.026 -30.619 13.797 1.00 0.00 O ATOM 295 CB THR A 568 -5.050 -29.545 10.572 1.00 0.00 C ATOM 296 OG1 THR A 568 -5.834 -29.577 9.370 1.00 0.00 O ATOM 297 CG2 THR A 568 -4.028 -30.698 10.533 1.00 0.00 C ATOM 0 H THR A 568 -6.679 -27.699 11.319 1.00 0.00 H new ATOM 0 HA THR A 568 -6.549 -30.567 11.753 1.00 0.00 H new ATOM 0 HB THR A 568 -4.495 -28.610 10.650 1.00 0.00 H new ATOM 0 HG1 THR A 568 -6.141 -28.671 9.155 1.00 0.00 H new ATOM 0 HG21 THR A 568 -3.395 -30.593 9.652 1.00 0.00 H new ATOM 0 HG22 THR A 568 -3.410 -30.667 11.430 1.00 0.00 H new ATOM 0 HG23 THR A 568 -4.556 -31.651 10.489 1.00 0.00 H new ATOM 305 N TYR A 569 -4.627 -28.413 13.445 1.00 0.00 N ATOM 306 CA TYR A 569 -3.797 -28.204 14.645 1.00 0.00 C ATOM 307 C TYR A 569 -4.654 -27.490 15.705 1.00 0.00 C ATOM 308 O TYR A 569 -5.001 -26.318 15.502 1.00 0.00 O ATOM 309 CB TYR A 569 -2.533 -27.336 14.322 1.00 0.00 C ATOM 310 CG TYR A 569 -1.833 -27.697 13.011 1.00 0.00 C ATOM 311 CD1 TYR A 569 -1.332 -28.984 12.789 1.00 0.00 C ATOM 312 CD2 TYR A 569 -1.703 -26.762 11.985 1.00 0.00 C ATOM 313 CE1 TYR A 569 -0.725 -29.312 11.593 1.00 0.00 C ATOM 314 CE2 TYR A 569 -1.101 -27.087 10.786 1.00 0.00 C ATOM 315 CZ TYR A 569 -0.615 -28.360 10.594 1.00 0.00 C ATOM 316 OH TYR A 569 -0.005 -28.683 9.399 1.00 0.00 O ATOM 0 H TYR A 569 -4.753 -27.570 12.885 1.00 0.00 H new ATOM 0 HA TYR A 569 -3.451 -29.171 15.011 1.00 0.00 H new ATOM 0 HB2 TYR A 569 -2.828 -26.287 14.285 1.00 0.00 H new ATOM 0 HB3 TYR A 569 -1.820 -27.438 15.140 1.00 0.00 H new ATOM 0 HD1 TYR A 569 -1.421 -29.731 13.564 1.00 0.00 H new ATOM 0 HD2 TYR A 569 -2.082 -25.761 12.132 1.00 0.00 H new ATOM 0 HE1 TYR A 569 -0.337 -30.308 11.437 1.00 0.00 H new ATOM 0 HE2 TYR A 569 -1.012 -26.347 10.004 1.00 0.00 H new ATOM 0 HH TYR A 569 -0.012 -27.902 8.807 1.00 0.00 H new ATOM 326 N PRO A 570 -5.062 -28.179 16.822 1.00 0.00 N ATOM 327 CA PRO A 570 -5.697 -27.503 17.979 1.00 0.00 C ATOM 328 C PRO A 570 -4.654 -26.733 18.811 1.00 0.00 C ATOM 329 O PRO A 570 -3.455 -26.741 18.493 1.00 0.00 O ATOM 330 CB PRO A 570 -6.329 -28.682 18.773 1.00 0.00 C ATOM 331 CG PRO A 570 -5.437 -29.851 18.477 1.00 0.00 C ATOM 332 CD PRO A 570 -4.956 -29.651 17.043 1.00 0.00 C ATOM 0 HA PRO A 570 -6.433 -26.751 17.694 1.00 0.00 H new ATOM 0 HB2 PRO A 570 -6.363 -28.469 19.841 1.00 0.00 H new ATOM 0 HB3 PRO A 570 -7.353 -28.873 18.453 1.00 0.00 H new ATOM 0 HG2 PRO A 570 -4.597 -29.888 19.170 1.00 0.00 H new ATOM 0 HG3 PRO A 570 -5.977 -30.792 18.581 1.00 0.00 H new ATOM 0 HD2 PRO A 570 -3.931 -30.000 16.915 1.00 0.00 H new ATOM 0 HD3 PRO A 570 -5.573 -30.205 16.335 1.00 0.00 H new ATOM 340 N VAL A 571 -5.124 -26.072 19.879 1.00 0.00 N ATOM 341 CA VAL A 571 -4.260 -25.346 20.839 1.00 0.00 C ATOM 342 C VAL A 571 -3.274 -26.325 21.542 1.00 0.00 C ATOM 343 O VAL A 571 -2.181 -25.928 21.954 1.00 0.00 O ATOM 344 CB VAL A 571 -5.130 -24.576 21.906 1.00 0.00 C ATOM 345 CG1 VAL A 571 -6.081 -25.539 22.674 1.00 0.00 C ATOM 346 CG2 VAL A 571 -4.239 -23.753 22.880 1.00 0.00 C ATOM 0 H VAL A 571 -6.117 -26.022 20.108 1.00 0.00 H new ATOM 0 HA VAL A 571 -3.677 -24.613 20.281 1.00 0.00 H new ATOM 0 HB VAL A 571 -5.758 -23.869 21.364 1.00 0.00 H new ATOM 0 HG11 VAL A 571 -6.664 -24.972 23.400 1.00 0.00 H new ATOM 0 HG12 VAL A 571 -6.754 -26.025 21.968 1.00 0.00 H new ATOM 0 HG13 VAL A 571 -5.492 -26.295 23.193 1.00 0.00 H new ATOM 0 HG21 VAL A 571 -4.871 -23.235 23.602 1.00 0.00 H new ATOM 0 HG22 VAL A 571 -3.561 -24.424 23.407 1.00 0.00 H new ATOM 0 HG23 VAL A 571 -3.660 -23.023 22.315 1.00 0.00 H new ATOM 356 N ASN A 572 -3.675 -27.612 21.621 1.00 0.00 N ATOM 357 CA ASN A 572 -2.875 -28.693 22.243 1.00 0.00 C ATOM 358 C ASN A 572 -1.580 -28.977 21.452 1.00 0.00 C ATOM 359 O ASN A 572 -0.657 -29.590 21.992 1.00 0.00 O ATOM 360 CB ASN A 572 -3.724 -29.980 22.363 1.00 0.00 C ATOM 361 CG ASN A 572 -4.979 -29.753 23.198 1.00 0.00 C ATOM 362 OD1 ASN A 572 -6.008 -29.338 22.662 1.00 0.00 O ATOM 363 ND2 ASN A 572 -4.897 -29.962 24.512 1.00 0.00 N ATOM 0 H ASN A 572 -4.570 -27.934 21.252 1.00 0.00 H new ATOM 0 HA ASN A 572 -2.584 -28.359 23.239 1.00 0.00 H new ATOM 0 HB2 ASN A 572 -4.006 -30.323 21.368 1.00 0.00 H new ATOM 0 HB3 ASN A 572 -3.125 -30.770 22.815 1.00 0.00 H new ATOM 0 HD21 ASN A 572 -5.703 -29.778 25.109 1.00 0.00 H new ATOM 0 HD22 ASN A 572 -4.028 -30.306 24.920 1.00 0.00 H new ATOM 370 N THR A 573 -1.536 -28.543 20.178 1.00 0.00 N ATOM 371 CA THR A 573 -0.323 -28.609 19.345 1.00 0.00 C ATOM 372 C THR A 573 0.677 -27.509 19.787 1.00 0.00 C ATOM 373 O THR A 573 0.369 -26.323 19.632 1.00 0.00 O ATOM 374 CB THR A 573 -0.677 -28.424 17.827 1.00 0.00 C ATOM 375 OG1 THR A 573 -1.717 -29.340 17.469 1.00 0.00 O ATOM 376 CG2 THR A 573 0.543 -28.643 16.891 1.00 0.00 C ATOM 0 H THR A 573 -2.340 -28.137 19.699 1.00 0.00 H new ATOM 0 HA THR A 573 0.132 -29.591 19.476 1.00 0.00 H new ATOM 0 HB THR A 573 -1.003 -27.392 17.696 1.00 0.00 H new ATOM 0 HG1 THR A 573 -1.832 -29.341 16.496 1.00 0.00 H new ATOM 0 HG21 THR A 573 0.236 -28.502 15.855 1.00 0.00 H new ATOM 0 HG22 THR A 573 1.325 -27.926 17.139 1.00 0.00 H new ATOM 0 HG23 THR A 573 0.925 -29.656 17.022 1.00 0.00 H new ATOM 384 N PRO A 574 1.870 -27.882 20.374 1.00 0.00 N ATOM 385 CA PRO A 574 2.884 -26.889 20.845 1.00 0.00 C ATOM 386 C PRO A 574 3.481 -26.044 19.688 1.00 0.00 C ATOM 387 O PRO A 574 3.898 -24.900 19.882 1.00 0.00 O ATOM 388 CB PRO A 574 3.968 -27.768 21.529 1.00 0.00 C ATOM 389 CG PRO A 574 3.796 -29.132 20.926 1.00 0.00 C ATOM 390 CD PRO A 574 2.315 -29.276 20.647 1.00 0.00 C ATOM 0 HA PRO A 574 2.447 -26.149 21.515 1.00 0.00 H new ATOM 0 HB2 PRO A 574 4.968 -27.377 21.343 1.00 0.00 H new ATOM 0 HB3 PRO A 574 3.831 -27.794 22.610 1.00 0.00 H new ATOM 0 HG2 PRO A 574 4.378 -29.231 20.010 1.00 0.00 H new ATOM 0 HG3 PRO A 574 4.143 -29.908 21.609 1.00 0.00 H new ATOM 0 HD2 PRO A 574 2.130 -29.930 19.795 1.00 0.00 H new ATOM 0 HD3 PRO A 574 1.787 -29.705 21.498 1.00 0.00 H new ATOM 398 N GLU A 575 3.493 -26.624 18.479 1.00 0.00 N ATOM 399 CA GLU A 575 4.044 -25.994 17.262 1.00 0.00 C ATOM 400 C GLU A 575 2.913 -25.482 16.353 1.00 0.00 C ATOM 401 O GLU A 575 3.139 -25.306 15.156 1.00 0.00 O ATOM 402 CB GLU A 575 4.930 -27.021 16.504 1.00 0.00 C ATOM 403 CG GLU A 575 6.078 -27.606 17.344 1.00 0.00 C ATOM 404 CD GLU A 575 6.852 -28.706 16.604 1.00 0.00 C ATOM 405 OE1 GLU A 575 7.784 -28.378 15.833 1.00 0.00 O ATOM 406 OE2 GLU A 575 6.522 -29.899 16.787 1.00 0.00 O ATOM 0 H GLU A 575 3.116 -27.557 18.313 1.00 0.00 H new ATOM 0 HA GLU A 575 4.654 -25.138 17.551 1.00 0.00 H new ATOM 0 HB2 GLU A 575 4.300 -27.838 16.152 1.00 0.00 H new ATOM 0 HB3 GLU A 575 5.350 -26.539 15.621 1.00 0.00 H new ATOM 0 HG2 GLU A 575 6.765 -26.806 17.620 1.00 0.00 H new ATOM 0 HG3 GLU A 575 5.674 -28.013 18.271 1.00 0.00 H new ATOM 413 N ARG A 576 1.717 -25.196 16.947 1.00 0.00 N ATOM 414 CA ARG A 576 0.469 -24.870 16.189 1.00 0.00 C ATOM 415 C ARG A 576 0.723 -23.803 15.106 1.00 0.00 C ATOM 416 O ARG A 576 0.669 -24.106 13.919 1.00 0.00 O ATOM 417 CB ARG A 576 -0.676 -24.372 17.132 1.00 0.00 C ATOM 418 CG ARG A 576 -2.067 -24.305 16.449 1.00 0.00 C ATOM 419 CD ARG A 576 -3.140 -23.592 17.280 1.00 0.00 C ATOM 420 NE ARG A 576 -4.494 -23.831 16.720 1.00 0.00 N ATOM 421 CZ ARG A 576 -5.656 -23.518 17.307 1.00 0.00 C ATOM 422 NH1 ARG A 576 -5.696 -22.887 18.464 1.00 0.00 N ATOM 423 NH2 ARG A 576 -6.798 -23.852 16.731 1.00 0.00 N ATOM 0 H ARG A 576 1.591 -25.185 17.959 1.00 0.00 H new ATOM 0 HA ARG A 576 0.156 -25.799 15.712 1.00 0.00 H new ATOM 0 HB2 ARG A 576 -0.737 -25.035 17.995 1.00 0.00 H new ATOM 0 HB3 ARG A 576 -0.419 -23.382 17.509 1.00 0.00 H new ATOM 0 HG2 ARG A 576 -1.965 -23.794 15.492 1.00 0.00 H new ATOM 0 HG3 ARG A 576 -2.404 -25.319 16.235 1.00 0.00 H new ATOM 0 HD2 ARG A 576 -3.101 -23.946 18.310 1.00 0.00 H new ATOM 0 HD3 ARG A 576 -2.936 -22.522 17.302 1.00 0.00 H new ATOM 0 HE ARG A 576 -4.544 -24.275 15.803 1.00 0.00 H new ATOM 0 HH11 ARG A 576 -4.829 -22.626 18.933 1.00 0.00 H new ATOM 0 HH12 ARG A 576 -6.594 -22.660 18.890 1.00 0.00 H new ATOM 0 HH21 ARG A 576 -6.794 -24.348 15.840 1.00 0.00 H new ATOM 0 HH22 ARG A 576 -7.683 -23.614 17.178 1.00 0.00 H new ATOM 437 N TRP A 577 1.131 -22.603 15.549 1.00 0.00 N ATOM 438 CA TRP A 577 1.272 -21.408 14.683 1.00 0.00 C ATOM 439 C TRP A 577 2.454 -21.524 13.702 1.00 0.00 C ATOM 440 O TRP A 577 2.476 -20.862 12.663 1.00 0.00 O ATOM 441 CB TRP A 577 1.418 -20.148 15.570 1.00 0.00 C ATOM 442 CG TRP A 577 0.260 -19.978 16.525 1.00 0.00 C ATOM 443 CD1 TRP A 577 0.255 -20.199 17.879 1.00 0.00 C ATOM 444 CD2 TRP A 577 -1.072 -19.600 16.178 1.00 0.00 C ATOM 445 NE1 TRP A 577 -0.992 -19.958 18.383 1.00 0.00 N ATOM 446 CE2 TRP A 577 -1.829 -19.602 17.364 1.00 0.00 C ATOM 447 CE3 TRP A 577 -1.702 -19.265 14.977 1.00 0.00 C ATOM 448 CZ2 TRP A 577 -3.175 -19.279 17.378 1.00 0.00 C ATOM 449 CZ3 TRP A 577 -3.033 -18.941 14.996 1.00 0.00 C ATOM 450 CH2 TRP A 577 -3.758 -18.955 16.188 1.00 0.00 C ATOM 0 H TRP A 577 1.375 -22.427 16.524 1.00 0.00 H new ATOM 0 HA TRP A 577 0.373 -21.329 14.072 1.00 0.00 H new ATOM 0 HB2 TRP A 577 2.347 -20.212 16.137 1.00 0.00 H new ATOM 0 HB3 TRP A 577 1.493 -19.266 14.934 1.00 0.00 H new ATOM 0 HD1 TRP A 577 1.109 -20.516 18.460 1.00 0.00 H new ATOM 0 HE1 TRP A 577 -1.256 -20.032 19.365 1.00 0.00 H new ATOM 0 HE3 TRP A 577 -1.149 -19.261 14.049 1.00 0.00 H new ATOM 0 HZ2 TRP A 577 -3.742 -19.283 18.297 1.00 0.00 H new ATOM 0 HZ3 TRP A 577 -3.528 -18.671 14.075 1.00 0.00 H new ATOM 0 HH2 TRP A 577 -4.808 -18.703 16.168 1.00 0.00 H new ATOM 461 N LYS A 578 3.404 -22.394 14.052 1.00 0.00 N ATOM 462 CA LYS A 578 4.629 -22.631 13.271 1.00 0.00 C ATOM 463 C LYS A 578 4.298 -23.465 12.027 1.00 0.00 C ATOM 464 O LYS A 578 4.846 -23.238 10.948 1.00 0.00 O ATOM 465 CB LYS A 578 5.717 -23.336 14.143 1.00 0.00 C ATOM 466 CG LYS A 578 6.324 -22.451 15.264 1.00 0.00 C ATOM 467 CD LYS A 578 5.312 -22.045 16.369 1.00 0.00 C ATOM 468 CE LYS A 578 5.878 -21.016 17.353 1.00 0.00 C ATOM 469 NZ LYS A 578 7.072 -21.521 18.073 1.00 0.00 N ATOM 0 H LYS A 578 3.347 -22.963 14.896 1.00 0.00 H new ATOM 0 HA LYS A 578 5.034 -21.671 12.951 1.00 0.00 H new ATOM 0 HB2 LYS A 578 5.279 -24.225 14.598 1.00 0.00 H new ATOM 0 HB3 LYS A 578 6.522 -23.675 13.491 1.00 0.00 H new ATOM 0 HG2 LYS A 578 7.154 -22.986 15.725 1.00 0.00 H new ATOM 0 HG3 LYS A 578 6.737 -21.548 14.815 1.00 0.00 H new ATOM 0 HD2 LYS A 578 4.416 -21.637 15.901 1.00 0.00 H new ATOM 0 HD3 LYS A 578 5.007 -22.935 16.919 1.00 0.00 H new ATOM 0 HE2 LYS A 578 6.140 -20.106 16.813 1.00 0.00 H new ATOM 0 HE3 LYS A 578 5.108 -20.746 18.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 578 7.418 -20.790 18.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 578 6.818 -22.374 18.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 578 7.818 -21.754 17.387 1.00 0.00 H new ATOM 483 N LYS A 579 3.396 -24.435 12.211 1.00 0.00 N ATOM 484 CA LYS A 579 2.890 -25.292 11.124 1.00 0.00 C ATOM 485 C LYS A 579 1.803 -24.543 10.325 1.00 0.00 C ATOM 486 O LYS A 579 1.617 -24.792 9.130 1.00 0.00 O ATOM 487 CB LYS A 579 2.365 -26.628 11.715 1.00 0.00 C ATOM 488 CG LYS A 579 3.367 -27.324 12.666 1.00 0.00 C ATOM 489 CD LYS A 579 2.851 -28.666 13.242 1.00 0.00 C ATOM 490 CE LYS A 579 2.867 -29.809 12.207 1.00 0.00 C ATOM 491 NZ LYS A 579 4.242 -30.113 11.730 1.00 0.00 N ATOM 0 H LYS A 579 2.992 -24.652 13.122 1.00 0.00 H new ATOM 0 HA LYS A 579 3.697 -25.530 10.431 1.00 0.00 H new ATOM 0 HB2 LYS A 579 1.438 -26.436 12.255 1.00 0.00 H new ATOM 0 HB3 LYS A 579 2.123 -27.307 10.897 1.00 0.00 H new ATOM 0 HG2 LYS A 579 4.299 -27.504 12.129 1.00 0.00 H new ATOM 0 HG3 LYS A 579 3.599 -26.650 13.491 1.00 0.00 H new ATOM 0 HD2 LYS A 579 3.465 -28.948 14.097 1.00 0.00 H new ATOM 0 HD3 LYS A 579 1.834 -28.530 13.610 1.00 0.00 H new ATOM 0 HE2 LYS A 579 2.431 -30.705 12.650 1.00 0.00 H new ATOM 0 HE3 LYS A 579 2.241 -29.537 11.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 579 4.245 -31.032 11.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 579 4.553 -29.371 11.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 579 4.891 -30.149 12.542 1.00 0.00 H new ATOM 505 N ILE A 580 1.084 -23.611 11.005 1.00 0.00 N ATOM 506 CA ILE A 580 0.107 -22.695 10.363 1.00 0.00 C ATOM 507 C ILE A 580 0.821 -21.715 9.412 1.00 0.00 C ATOM 508 O ILE A 580 0.263 -21.332 8.389 1.00 0.00 O ATOM 509 CB ILE A 580 -0.737 -21.916 11.451 1.00 0.00 C ATOM 510 CG1 ILE A 580 -1.655 -22.909 12.227 1.00 0.00 C ATOM 511 CG2 ILE A 580 -1.568 -20.746 10.857 1.00 0.00 C ATOM 512 CD1 ILE A 580 -2.502 -22.289 13.320 1.00 0.00 C ATOM 0 H ILE A 580 1.166 -23.475 12.013 1.00 0.00 H new ATOM 0 HA ILE A 580 -0.584 -23.296 9.772 1.00 0.00 H new ATOM 0 HB ILE A 580 -0.025 -21.463 12.141 1.00 0.00 H new ATOM 0 HG12 ILE A 580 -2.316 -23.401 11.513 1.00 0.00 H new ATOM 0 HG13 ILE A 580 -1.030 -23.685 12.670 1.00 0.00 H new ATOM 0 HG21 ILE A 580 -2.124 -20.253 11.655 1.00 0.00 H new ATOM 0 HG22 ILE A 580 -0.899 -20.028 10.383 1.00 0.00 H new ATOM 0 HG23 ILE A 580 -2.266 -21.135 10.116 1.00 0.00 H new ATOM 0 HD11 ILE A 580 -3.103 -23.063 13.798 1.00 0.00 H new ATOM 0 HD12 ILE A 580 -1.854 -21.823 14.062 1.00 0.00 H new ATOM 0 HD13 ILE A 580 -3.159 -21.535 12.887 1.00 0.00 H new ATOM 524 N ALA A 581 2.069 -21.337 9.752 1.00 0.00 N ATOM 525 CA ALA A 581 2.942 -20.525 8.866 1.00 0.00 C ATOM 526 C ALA A 581 3.118 -21.176 7.479 1.00 0.00 C ATOM 527 O ALA A 581 3.152 -20.491 6.450 1.00 0.00 O ATOM 528 CB ALA A 581 4.321 -20.319 9.510 1.00 0.00 C ATOM 0 H ALA A 581 2.503 -21.582 10.642 1.00 0.00 H new ATOM 0 HA ALA A 581 2.452 -19.561 8.731 1.00 0.00 H new ATOM 0 HB1 ALA A 581 4.947 -19.722 8.847 1.00 0.00 H new ATOM 0 HB2 ALA A 581 4.204 -19.801 10.462 1.00 0.00 H new ATOM 0 HB3 ALA A 581 4.792 -21.287 9.679 1.00 0.00 H new ATOM 534 N GLU A 582 3.230 -22.508 7.483 1.00 0.00 N ATOM 535 CA GLU A 582 3.432 -23.315 6.269 1.00 0.00 C ATOM 536 C GLU A 582 2.084 -23.512 5.545 1.00 0.00 C ATOM 537 O GLU A 582 2.023 -23.532 4.312 1.00 0.00 O ATOM 538 CB GLU A 582 4.066 -24.671 6.666 1.00 0.00 C ATOM 539 CG GLU A 582 5.312 -24.532 7.555 1.00 0.00 C ATOM 540 CD GLU A 582 5.843 -25.884 8.051 1.00 0.00 C ATOM 541 OE1 GLU A 582 5.108 -26.587 8.774 1.00 0.00 O ATOM 542 OE2 GLU A 582 6.980 -26.263 7.707 1.00 0.00 O ATOM 0 H GLU A 582 3.183 -23.065 8.336 1.00 0.00 H new ATOM 0 HA GLU A 582 4.107 -22.804 5.582 1.00 0.00 H new ATOM 0 HB2 GLU A 582 3.322 -25.271 7.190 1.00 0.00 H new ATOM 0 HB3 GLU A 582 4.335 -25.216 5.761 1.00 0.00 H new ATOM 0 HG2 GLU A 582 6.096 -24.022 6.996 1.00 0.00 H new ATOM 0 HG3 GLU A 582 5.072 -23.904 8.413 1.00 0.00 H new ATOM 549 N ALA A 583 1.006 -23.609 6.339 1.00 0.00 N ATOM 550 CA ALA A 583 -0.364 -23.852 5.840 1.00 0.00 C ATOM 551 C ALA A 583 -1.059 -22.546 5.370 1.00 0.00 C ATOM 552 O ALA A 583 -2.096 -22.600 4.691 1.00 0.00 O ATOM 553 CB ALA A 583 -1.186 -24.548 6.938 1.00 0.00 C ATOM 0 H ALA A 583 1.057 -23.521 7.354 1.00 0.00 H new ATOM 0 HA ALA A 583 -0.299 -24.499 4.965 1.00 0.00 H new ATOM 0 HB1 ALA A 583 -2.198 -24.730 6.575 1.00 0.00 H new ATOM 0 HB2 ALA A 583 -0.717 -25.497 7.197 1.00 0.00 H new ATOM 0 HB3 ALA A 583 -1.226 -23.911 7.821 1.00 0.00 H new ATOM 559 N VAL A 584 -0.504 -21.386 5.775 1.00 0.00 N ATOM 560 CA VAL A 584 -1.015 -20.043 5.418 1.00 0.00 C ATOM 561 C VAL A 584 0.185 -19.187 4.955 1.00 0.00 C ATOM 562 O VAL A 584 0.915 -18.652 5.798 1.00 0.00 O ATOM 563 CB VAL A 584 -1.749 -19.312 6.615 1.00 0.00 C ATOM 564 CG1 VAL A 584 -2.476 -18.034 6.113 1.00 0.00 C ATOM 565 CG2 VAL A 584 -2.721 -20.260 7.346 1.00 0.00 C ATOM 0 H VAL A 584 0.325 -21.353 6.369 1.00 0.00 H new ATOM 0 HA VAL A 584 -1.758 -20.166 4.630 1.00 0.00 H new ATOM 0 HB VAL A 584 -0.991 -19.009 7.338 1.00 0.00 H new ATOM 0 HG11 VAL A 584 -2.974 -17.546 6.951 1.00 0.00 H new ATOM 0 HG12 VAL A 584 -1.749 -17.350 5.675 1.00 0.00 H new ATOM 0 HG13 VAL A 584 -3.216 -18.308 5.361 1.00 0.00 H new ATOM 0 HG21 VAL A 584 -3.207 -19.725 8.162 1.00 0.00 H new ATOM 0 HG22 VAL A 584 -3.476 -20.618 6.646 1.00 0.00 H new ATOM 0 HG23 VAL A 584 -2.168 -21.109 7.748 1.00 0.00 H new ATOM 575 N PRO A 585 0.439 -19.090 3.611 1.00 0.00 N ATOM 576 CA PRO A 585 1.609 -18.361 3.047 1.00 0.00 C ATOM 577 C PRO A 585 1.557 -16.834 3.289 1.00 0.00 C ATOM 578 O PRO A 585 0.514 -16.200 3.092 1.00 0.00 O ATOM 579 CB PRO A 585 1.550 -18.686 1.520 1.00 0.00 C ATOM 580 CG PRO A 585 0.627 -19.865 1.410 1.00 0.00 C ATOM 581 CD PRO A 585 -0.376 -19.691 2.523 1.00 0.00 C ATOM 0 HA PRO A 585 2.537 -18.675 3.526 1.00 0.00 H new ATOM 0 HB2 PRO A 585 1.175 -17.836 0.950 1.00 0.00 H new ATOM 0 HB3 PRO A 585 2.539 -18.921 1.128 1.00 0.00 H new ATOM 0 HG2 PRO A 585 0.135 -19.890 0.438 1.00 0.00 H new ATOM 0 HG3 PRO A 585 1.173 -20.803 1.515 1.00 0.00 H new ATOM 0 HD2 PRO A 585 -1.199 -19.040 2.228 1.00 0.00 H new ATOM 0 HD3 PRO A 585 -0.814 -20.642 2.825 1.00 0.00 H new ATOM 589 N GLY A 586 2.693 -16.271 3.750 1.00 0.00 N ATOM 590 CA GLY A 586 2.908 -14.821 3.833 1.00 0.00 C ATOM 591 C GLY A 586 2.417 -14.187 5.134 1.00 0.00 C ATOM 592 O GLY A 586 3.080 -13.292 5.680 1.00 0.00 O ATOM 0 H GLY A 586 3.489 -16.818 4.076 1.00 0.00 H new ATOM 0 HA2 GLY A 586 3.973 -14.616 3.722 1.00 0.00 H new ATOM 0 HA3 GLY A 586 2.402 -14.342 2.995 1.00 0.00 H new ATOM 596 N ARG A 587 1.269 -14.663 5.637 1.00 0.00 N ATOM 597 CA ARG A 587 0.615 -14.106 6.832 1.00 0.00 C ATOM 598 C ARG A 587 1.430 -14.403 8.099 1.00 0.00 C ATOM 599 O ARG A 587 1.834 -15.544 8.319 1.00 0.00 O ATOM 600 CB ARG A 587 -0.815 -14.701 6.952 1.00 0.00 C ATOM 601 CG ARG A 587 -1.801 -14.234 5.852 1.00 0.00 C ATOM 602 CD ARG A 587 -2.058 -12.721 5.933 1.00 0.00 C ATOM 603 NE ARG A 587 -3.112 -12.269 5.012 1.00 0.00 N ATOM 604 CZ ARG A 587 -3.697 -11.067 5.058 1.00 0.00 C ATOM 605 NH1 ARG A 587 -3.382 -10.191 6.000 1.00 0.00 N ATOM 606 NH2 ARG A 587 -4.604 -10.737 4.166 1.00 0.00 N ATOM 0 H ARG A 587 0.765 -15.449 5.225 1.00 0.00 H new ATOM 0 HA ARG A 587 0.553 -13.023 6.729 1.00 0.00 H new ATOM 0 HB2 ARG A 587 -0.746 -15.788 6.922 1.00 0.00 H new ATOM 0 HB3 ARG A 587 -1.225 -14.434 7.926 1.00 0.00 H new ATOM 0 HG2 ARG A 587 -1.398 -14.484 4.871 1.00 0.00 H new ATOM 0 HG3 ARG A 587 -2.744 -14.771 5.955 1.00 0.00 H new ATOM 0 HD2 ARG A 587 -2.338 -12.459 6.954 1.00 0.00 H new ATOM 0 HD3 ARG A 587 -1.134 -12.188 5.709 1.00 0.00 H new ATOM 0 HE ARG A 587 -3.418 -12.918 4.287 1.00 0.00 H new ATOM 0 HH11 ARG A 587 -2.684 -10.429 6.705 1.00 0.00 H new ATOM 0 HH12 ARG A 587 -3.838 -9.279 6.021 1.00 0.00 H new ATOM 0 HH21 ARG A 587 -4.865 -11.399 3.435 1.00 0.00 H new ATOM 0 HH22 ARG A 587 -5.047 -9.819 4.205 1.00 0.00 H new ATOM 620 N THR A 588 1.647 -13.363 8.921 1.00 0.00 N ATOM 621 CA THR A 588 2.470 -13.443 10.140 1.00 0.00 C ATOM 622 C THR A 588 1.681 -14.094 11.280 1.00 0.00 C ATOM 623 O THR A 588 0.444 -14.025 11.302 1.00 0.00 O ATOM 624 CB THR A 588 2.937 -12.024 10.585 1.00 0.00 C ATOM 625 OG1 THR A 588 1.779 -11.235 10.883 1.00 0.00 O ATOM 626 CG2 THR A 588 3.780 -11.320 9.499 1.00 0.00 C ATOM 0 H THR A 588 1.254 -12.436 8.757 1.00 0.00 H new ATOM 0 HA THR A 588 3.344 -14.052 9.912 1.00 0.00 H new ATOM 0 HB THR A 588 3.571 -12.132 11.465 1.00 0.00 H new ATOM 0 HG1 THR A 588 2.057 -10.380 11.274 1.00 0.00 H new ATOM 0 HG21 THR A 588 4.082 -10.335 9.855 1.00 0.00 H new ATOM 0 HG22 THR A 588 4.667 -11.916 9.284 1.00 0.00 H new ATOM 0 HG23 THR A 588 3.187 -11.212 8.591 1.00 0.00 H new ATOM 634 N LYS A 589 2.407 -14.716 12.225 1.00 0.00 N ATOM 635 CA LYS A 589 1.794 -15.488 13.325 1.00 0.00 C ATOM 636 C LYS A 589 1.058 -14.575 14.297 1.00 0.00 C ATOM 637 O LYS A 589 0.037 -14.979 14.836 1.00 0.00 O ATOM 638 CB LYS A 589 2.837 -16.361 14.080 1.00 0.00 C ATOM 639 CG LYS A 589 3.238 -17.701 13.387 1.00 0.00 C ATOM 640 CD LYS A 589 3.987 -17.532 12.032 1.00 0.00 C ATOM 641 CE LYS A 589 3.051 -17.396 10.802 1.00 0.00 C ATOM 642 NZ LYS A 589 3.794 -17.018 9.587 1.00 0.00 N ATOM 0 H LYS A 589 3.427 -14.700 12.250 1.00 0.00 H new ATOM 0 HA LYS A 589 1.069 -16.163 12.869 1.00 0.00 H new ATOM 0 HB2 LYS A 589 3.739 -15.767 14.228 1.00 0.00 H new ATOM 0 HB3 LYS A 589 2.441 -16.591 15.069 1.00 0.00 H new ATOM 0 HG2 LYS A 589 3.870 -18.272 14.068 1.00 0.00 H new ATOM 0 HG3 LYS A 589 2.337 -18.291 13.218 1.00 0.00 H new ATOM 0 HD2 LYS A 589 4.624 -16.649 12.089 1.00 0.00 H new ATOM 0 HD3 LYS A 589 4.643 -18.390 11.883 1.00 0.00 H new ATOM 0 HE2 LYS A 589 2.534 -18.341 10.633 1.00 0.00 H new ATOM 0 HE3 LYS A 589 2.287 -16.647 11.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 589 3.298 -16.242 9.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 589 4.752 -16.708 9.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 589 3.857 -17.837 8.950 1.00 0.00 H new ATOM 656 N LYS A 590 1.560 -13.342 14.490 1.00 0.00 N ATOM 657 CA LYS A 590 0.885 -12.351 15.340 1.00 0.00 C ATOM 658 C LYS A 590 -0.499 -11.994 14.751 1.00 0.00 C ATOM 659 O LYS A 590 -1.468 -11.890 15.493 1.00 0.00 O ATOM 660 CB LYS A 590 1.742 -11.073 15.541 1.00 0.00 C ATOM 661 CG LYS A 590 2.103 -10.304 14.246 1.00 0.00 C ATOM 662 CD LYS A 590 2.766 -8.936 14.521 1.00 0.00 C ATOM 663 CE LYS A 590 4.092 -9.044 15.294 1.00 0.00 C ATOM 664 NZ LYS A 590 4.741 -7.725 15.475 1.00 0.00 N ATOM 0 H LYS A 590 2.428 -13.011 14.069 1.00 0.00 H new ATOM 0 HA LYS A 590 0.747 -12.801 16.323 1.00 0.00 H new ATOM 0 HB2 LYS A 590 1.205 -10.397 16.207 1.00 0.00 H new ATOM 0 HB3 LYS A 590 2.666 -11.352 16.047 1.00 0.00 H new ATOM 0 HG2 LYS A 590 2.777 -10.914 13.644 1.00 0.00 H new ATOM 0 HG3 LYS A 590 1.199 -10.151 13.657 1.00 0.00 H new ATOM 0 HD2 LYS A 590 2.947 -8.431 13.572 1.00 0.00 H new ATOM 0 HD3 LYS A 590 2.074 -8.312 15.087 1.00 0.00 H new ATOM 0 HE2 LYS A 590 3.907 -9.493 16.270 1.00 0.00 H new ATOM 0 HE3 LYS A 590 4.769 -9.710 14.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 590 5.630 -7.845 16.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 590 4.942 -7.306 14.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 590 4.107 -7.096 16.008 1.00 0.00 H new ATOM 678 N ASP A 591 -0.571 -11.853 13.403 1.00 0.00 N ATOM 679 CA ASP A 591 -1.826 -11.563 12.677 1.00 0.00 C ATOM 680 C ASP A 591 -2.717 -12.807 12.583 1.00 0.00 C ATOM 681 O ASP A 591 -3.935 -12.680 12.455 1.00 0.00 O ATOM 682 CB ASP A 591 -1.532 -10.994 11.258 1.00 0.00 C ATOM 683 CG ASP A 591 -1.137 -9.503 11.288 1.00 0.00 C ATOM 684 OD1 ASP A 591 -0.009 -9.178 11.713 1.00 0.00 O ATOM 685 OD2 ASP A 591 -1.975 -8.648 10.938 1.00 0.00 O ATOM 0 H ASP A 591 0.242 -11.938 12.792 1.00 0.00 H new ATOM 0 HA ASP A 591 -2.365 -10.805 13.246 1.00 0.00 H new ATOM 0 HB2 ASP A 591 -0.729 -11.570 10.799 1.00 0.00 H new ATOM 0 HB3 ASP A 591 -2.414 -11.120 10.630 1.00 0.00 H new ATOM 690 N CYS A 592 -2.099 -14.008 12.629 1.00 0.00 N ATOM 691 CA CYS A 592 -2.833 -15.290 12.652 1.00 0.00 C ATOM 692 C CYS A 592 -3.532 -15.485 14.013 1.00 0.00 C ATOM 693 O CYS A 592 -4.671 -15.938 14.064 1.00 0.00 O ATOM 694 CB CYS A 592 -1.878 -16.476 12.350 1.00 0.00 C ATOM 695 SG CYS A 592 -1.166 -16.437 10.694 1.00 0.00 S ATOM 0 H CYS A 592 -1.085 -14.115 12.651 1.00 0.00 H new ATOM 0 HA CYS A 592 -3.596 -15.264 11.874 1.00 0.00 H new ATOM 0 HB2 CYS A 592 -1.071 -16.475 13.082 1.00 0.00 H new ATOM 0 HB3 CYS A 592 -2.424 -17.411 12.478 1.00 0.00 H new ATOM 0 HG CYS A 592 -0.351 -15.429 10.596 1.00 0.00 H new ATOM 701 N MET A 593 -2.824 -15.101 15.103 1.00 0.00 N ATOM 702 CA MET A 593 -3.335 -15.173 16.500 1.00 0.00 C ATOM 703 C MET A 593 -4.416 -14.114 16.718 1.00 0.00 C ATOM 704 O MET A 593 -5.444 -14.386 17.328 1.00 0.00 O ATOM 705 CB MET A 593 -2.188 -14.939 17.521 1.00 0.00 C ATOM 706 CG MET A 593 -1.075 -15.976 17.477 1.00 0.00 C ATOM 707 SD MET A 593 0.339 -15.486 18.489 1.00 0.00 S ATOM 708 CE MET A 593 1.606 -16.609 17.915 1.00 0.00 C ATOM 0 H MET A 593 -1.876 -14.730 15.041 1.00 0.00 H new ATOM 0 HA MET A 593 -3.753 -16.168 16.654 1.00 0.00 H new ATOM 0 HB2 MET A 593 -1.756 -13.955 17.342 1.00 0.00 H new ATOM 0 HB3 MET A 593 -2.612 -14.923 18.525 1.00 0.00 H new ATOM 0 HG2 MET A 593 -1.458 -16.935 17.827 1.00 0.00 H new ATOM 0 HG3 MET A 593 -0.752 -16.119 16.446 1.00 0.00 H new ATOM 0 HE1 MET A 593 1.995 -17.180 18.758 1.00 0.00 H new ATOM 0 HE2 MET A 593 1.181 -17.292 17.180 1.00 0.00 H new ATOM 0 HE3 MET A 593 2.416 -16.041 17.457 1.00 0.00 H new ATOM 718 N LYS A 594 -4.128 -12.909 16.207 1.00 0.00 N ATOM 719 CA LYS A 594 -5.016 -11.740 16.278 1.00 0.00 C ATOM 720 C LYS A 594 -6.353 -12.051 15.578 1.00 0.00 C ATOM 721 O LYS A 594 -7.414 -11.909 16.185 1.00 0.00 O ATOM 722 CB LYS A 594 -4.281 -10.510 15.644 1.00 0.00 C ATOM 723 CG LYS A 594 -5.069 -9.166 15.582 1.00 0.00 C ATOM 724 CD LYS A 594 -5.839 -8.944 14.249 1.00 0.00 C ATOM 725 CE LYS A 594 -4.914 -8.961 13.014 1.00 0.00 C ATOM 726 NZ LYS A 594 -3.893 -7.877 13.062 1.00 0.00 N ATOM 0 H LYS A 594 -3.252 -12.715 15.722 1.00 0.00 H new ATOM 0 HA LYS A 594 -5.251 -11.498 17.314 1.00 0.00 H new ATOM 0 HB2 LYS A 594 -3.363 -10.338 16.206 1.00 0.00 H new ATOM 0 HB3 LYS A 594 -3.988 -10.777 14.629 1.00 0.00 H new ATOM 0 HG2 LYS A 594 -5.778 -9.134 16.409 1.00 0.00 H new ATOM 0 HG3 LYS A 594 -4.372 -8.341 15.728 1.00 0.00 H new ATOM 0 HD2 LYS A 594 -6.598 -9.719 14.140 1.00 0.00 H new ATOM 0 HD3 LYS A 594 -6.363 -7.989 14.292 1.00 0.00 H new ATOM 0 HE2 LYS A 594 -4.413 -9.927 12.950 1.00 0.00 H new ATOM 0 HE3 LYS A 594 -5.514 -8.853 12.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 594 -3.252 -7.968 12.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 594 -4.367 -6.952 13.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 594 -3.346 -7.954 13.943 1.00 0.00 H new ATOM 740 N ARG A 595 -6.269 -12.522 14.309 1.00 0.00 N ATOM 741 CA ARG A 595 -7.462 -12.846 13.490 1.00 0.00 C ATOM 742 C ARG A 595 -8.240 -14.032 14.098 1.00 0.00 C ATOM 743 O ARG A 595 -9.464 -13.990 14.159 1.00 0.00 O ATOM 744 CB ARG A 595 -7.088 -13.141 12.002 1.00 0.00 C ATOM 745 CG ARG A 595 -8.298 -13.497 11.094 1.00 0.00 C ATOM 746 CD ARG A 595 -9.354 -12.377 11.028 1.00 0.00 C ATOM 747 NE ARG A 595 -10.572 -12.799 10.321 1.00 0.00 N ATOM 748 CZ ARG A 595 -11.628 -12.021 10.040 1.00 0.00 C ATOM 749 NH1 ARG A 595 -11.659 -10.740 10.384 1.00 0.00 N ATOM 750 NH2 ARG A 595 -12.652 -12.541 9.388 1.00 0.00 N ATOM 0 H ARG A 595 -5.384 -12.686 13.830 1.00 0.00 H new ATOM 0 HA ARG A 595 -8.105 -11.966 13.497 1.00 0.00 H new ATOM 0 HB2 ARG A 595 -6.583 -12.269 11.587 1.00 0.00 H new ATOM 0 HB3 ARG A 595 -6.375 -13.965 11.976 1.00 0.00 H new ATOM 0 HG2 ARG A 595 -7.939 -13.709 10.087 1.00 0.00 H new ATOM 0 HG3 ARG A 595 -8.767 -14.409 11.464 1.00 0.00 H new ATOM 0 HD2 ARG A 595 -9.613 -12.065 12.040 1.00 0.00 H new ATOM 0 HD3 ARG A 595 -8.928 -11.508 10.526 1.00 0.00 H new ATOM 0 HE ARG A 595 -10.618 -13.771 10.017 1.00 0.00 H new ATOM 0 HH11 ARG A 595 -10.867 -10.324 10.874 1.00 0.00 H new ATOM 0 HH12 ARG A 595 -12.475 -10.171 10.158 1.00 0.00 H new ATOM 0 HH21 ARG A 595 -12.632 -13.521 9.106 1.00 0.00 H new ATOM 0 HH22 ARG A 595 -13.463 -11.963 9.167 1.00 0.00 H new ATOM 764 N TYR A 596 -7.511 -15.076 14.549 1.00 0.00 N ATOM 765 CA TYR A 596 -8.112 -16.254 15.231 1.00 0.00 C ATOM 766 C TYR A 596 -8.876 -15.829 16.490 1.00 0.00 C ATOM 767 O TYR A 596 -9.985 -16.294 16.732 1.00 0.00 O ATOM 768 CB TYR A 596 -7.025 -17.297 15.589 1.00 0.00 C ATOM 769 CG TYR A 596 -7.466 -18.473 16.485 1.00 0.00 C ATOM 770 CD1 TYR A 596 -8.483 -19.350 16.101 1.00 0.00 C ATOM 771 CD2 TYR A 596 -6.841 -18.719 17.708 1.00 0.00 C ATOM 772 CE1 TYR A 596 -8.849 -20.424 16.893 1.00 0.00 C ATOM 773 CE2 TYR A 596 -7.194 -19.793 18.499 1.00 0.00 C ATOM 774 CZ TYR A 596 -8.200 -20.642 18.091 1.00 0.00 C ATOM 775 OH TYR A 596 -8.544 -21.726 18.878 1.00 0.00 O ATOM 0 H TYR A 596 -6.497 -15.131 14.454 1.00 0.00 H new ATOM 0 HA TYR A 596 -8.818 -16.714 14.540 1.00 0.00 H new ATOM 0 HB2 TYR A 596 -6.627 -17.706 14.661 1.00 0.00 H new ATOM 0 HB3 TYR A 596 -6.205 -16.778 16.086 1.00 0.00 H new ATOM 0 HD1 TYR A 596 -8.995 -19.186 15.165 1.00 0.00 H new ATOM 0 HD2 TYR A 596 -6.061 -18.052 18.044 1.00 0.00 H new ATOM 0 HE1 TYR A 596 -9.639 -21.088 16.575 1.00 0.00 H new ATOM 0 HE2 TYR A 596 -6.684 -19.968 19.435 1.00 0.00 H new ATOM 0 HH TYR A 596 -8.861 -22.457 18.307 1.00 0.00 H new ATOM 785 N LYS A 597 -8.271 -14.914 17.264 1.00 0.00 N ATOM 786 CA LYS A 597 -8.879 -14.370 18.490 1.00 0.00 C ATOM 787 C LYS A 597 -10.193 -13.661 18.150 1.00 0.00 C ATOM 788 O LYS A 597 -11.193 -13.839 18.849 1.00 0.00 O ATOM 789 CB LYS A 597 -7.911 -13.396 19.201 1.00 0.00 C ATOM 790 CG LYS A 597 -8.475 -12.757 20.493 1.00 0.00 C ATOM 791 CD LYS A 597 -7.476 -11.797 21.169 1.00 0.00 C ATOM 792 CE LYS A 597 -6.190 -12.510 21.650 1.00 0.00 C ATOM 793 NZ LYS A 597 -5.232 -11.566 22.269 1.00 0.00 N ATOM 0 H LYS A 597 -7.348 -14.531 17.059 1.00 0.00 H new ATOM 0 HA LYS A 597 -9.086 -15.197 19.170 1.00 0.00 H new ATOM 0 HB2 LYS A 597 -6.993 -13.931 19.446 1.00 0.00 H new ATOM 0 HB3 LYS A 597 -7.641 -12.601 18.506 1.00 0.00 H new ATOM 0 HG2 LYS A 597 -9.390 -12.214 20.255 1.00 0.00 H new ATOM 0 HG3 LYS A 597 -8.746 -13.546 21.195 1.00 0.00 H new ATOM 0 HD2 LYS A 597 -7.207 -11.007 20.468 1.00 0.00 H new ATOM 0 HD3 LYS A 597 -7.960 -11.317 22.020 1.00 0.00 H new ATOM 0 HE2 LYS A 597 -6.453 -13.285 22.370 1.00 0.00 H new ATOM 0 HE3 LYS A 597 -5.714 -13.008 20.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 597 -4.385 -12.084 22.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 597 -4.961 -10.841 21.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 597 -5.677 -11.109 23.091 1.00 0.00 H new ATOM 807 N GLU A 598 -10.178 -12.885 17.043 1.00 0.00 N ATOM 808 CA GLU A 598 -11.375 -12.198 16.541 1.00 0.00 C ATOM 809 C GLU A 598 -12.457 -13.221 16.162 1.00 0.00 C ATOM 810 O GLU A 598 -13.599 -13.069 16.558 1.00 0.00 O ATOM 811 CB GLU A 598 -11.050 -11.289 15.322 1.00 0.00 C ATOM 812 CG GLU A 598 -10.004 -10.193 15.593 1.00 0.00 C ATOM 813 CD GLU A 598 -10.349 -9.335 16.812 1.00 0.00 C ATOM 814 OE1 GLU A 598 -11.222 -8.456 16.698 1.00 0.00 O ATOM 815 OE2 GLU A 598 -9.766 -9.546 17.897 1.00 0.00 O ATOM 0 H GLU A 598 -9.342 -12.722 16.482 1.00 0.00 H new ATOM 0 HA GLU A 598 -11.747 -11.559 17.342 1.00 0.00 H new ATOM 0 HB2 GLU A 598 -10.695 -11.916 14.504 1.00 0.00 H new ATOM 0 HB3 GLU A 598 -11.972 -10.816 14.984 1.00 0.00 H new ATOM 0 HG2 GLU A 598 -9.029 -10.657 15.744 1.00 0.00 H new ATOM 0 HG3 GLU A 598 -9.919 -9.552 14.715 1.00 0.00 H new ATOM 822 N LEU A 599 -12.057 -14.298 15.432 1.00 0.00 N ATOM 823 CA LEU A 599 -12.981 -15.379 14.991 1.00 0.00 C ATOM 824 C LEU A 599 -13.705 -16.006 16.201 1.00 0.00 C ATOM 825 O LEU A 599 -14.920 -16.219 16.169 1.00 0.00 O ATOM 826 CB LEU A 599 -12.213 -16.491 14.205 1.00 0.00 C ATOM 827 CG LEU A 599 -11.503 -16.046 12.885 1.00 0.00 C ATOM 828 CD1 LEU A 599 -10.715 -17.215 12.244 1.00 0.00 C ATOM 829 CD2 LEU A 599 -12.506 -15.411 11.892 1.00 0.00 C ATOM 0 H LEU A 599 -11.092 -14.440 15.135 1.00 0.00 H new ATOM 0 HA LEU A 599 -13.719 -14.929 14.327 1.00 0.00 H new ATOM 0 HB2 LEU A 599 -11.463 -16.921 14.868 1.00 0.00 H new ATOM 0 HB3 LEU A 599 -12.918 -17.286 13.962 1.00 0.00 H new ATOM 0 HG LEU A 599 -10.777 -15.276 13.144 1.00 0.00 H new ATOM 0 HD11 LEU A 599 -10.234 -16.871 11.328 1.00 0.00 H new ATOM 0 HD12 LEU A 599 -9.956 -17.568 12.942 1.00 0.00 H new ATOM 0 HD13 LEU A 599 -11.400 -18.030 12.010 1.00 0.00 H new ATOM 0 HD21 LEU A 599 -11.980 -15.113 10.985 1.00 0.00 H new ATOM 0 HD22 LEU A 599 -13.279 -16.137 11.641 1.00 0.00 H new ATOM 0 HD23 LEU A 599 -12.966 -14.535 12.350 1.00 0.00 H new ATOM 841 N VAL A 600 -12.937 -16.251 17.277 1.00 0.00 N ATOM 842 CA VAL A 600 -13.445 -16.877 18.508 1.00 0.00 C ATOM 843 C VAL A 600 -14.368 -15.906 19.281 1.00 0.00 C ATOM 844 O VAL A 600 -15.443 -16.298 19.719 1.00 0.00 O ATOM 845 CB VAL A 600 -12.268 -17.385 19.430 1.00 0.00 C ATOM 846 CG1 VAL A 600 -12.806 -18.044 20.723 1.00 0.00 C ATOM 847 CG2 VAL A 600 -11.339 -18.366 18.666 1.00 0.00 C ATOM 0 H VAL A 600 -11.944 -16.020 17.316 1.00 0.00 H new ATOM 0 HA VAL A 600 -14.032 -17.747 18.214 1.00 0.00 H new ATOM 0 HB VAL A 600 -11.681 -16.512 19.716 1.00 0.00 H new ATOM 0 HG11 VAL A 600 -11.969 -18.382 21.334 1.00 0.00 H new ATOM 0 HG12 VAL A 600 -13.395 -17.318 21.284 1.00 0.00 H new ATOM 0 HG13 VAL A 600 -13.433 -18.897 20.463 1.00 0.00 H new ATOM 0 HG21 VAL A 600 -10.538 -18.698 19.327 1.00 0.00 H new ATOM 0 HG22 VAL A 600 -11.916 -19.229 18.333 1.00 0.00 H new ATOM 0 HG23 VAL A 600 -10.909 -17.861 17.801 1.00 0.00 H new ATOM 857 N GLU A 601 -13.962 -14.632 19.402 1.00 0.00 N ATOM 858 CA GLU A 601 -14.730 -13.625 20.174 1.00 0.00 C ATOM 859 C GLU A 601 -16.033 -13.225 19.451 1.00 0.00 C ATOM 860 O GLU A 601 -17.021 -12.892 20.107 1.00 0.00 O ATOM 861 CB GLU A 601 -13.868 -12.366 20.473 1.00 0.00 C ATOM 862 CG GLU A 601 -12.636 -12.620 21.375 1.00 0.00 C ATOM 863 CD GLU A 601 -12.986 -13.267 22.727 1.00 0.00 C ATOM 864 OE1 GLU A 601 -13.593 -12.587 23.582 1.00 0.00 O ATOM 865 OE2 GLU A 601 -12.655 -14.451 22.945 1.00 0.00 O ATOM 0 H GLU A 601 -13.108 -14.269 18.978 1.00 0.00 H new ATOM 0 HA GLU A 601 -15.001 -14.089 21.122 1.00 0.00 H new ATOM 0 HB2 GLU A 601 -13.527 -11.944 19.528 1.00 0.00 H new ATOM 0 HB3 GLU A 601 -14.500 -11.615 20.948 1.00 0.00 H new ATOM 0 HG2 GLU A 601 -11.934 -13.263 20.845 1.00 0.00 H new ATOM 0 HG3 GLU A 601 -12.127 -11.673 21.556 1.00 0.00 H new ATOM 872 N MET A 602 -16.019 -13.276 18.106 1.00 0.00 N ATOM 873 CA MET A 602 -17.194 -12.943 17.269 1.00 0.00 C ATOM 874 C MET A 602 -18.249 -14.051 17.367 1.00 0.00 C ATOM 875 O MET A 602 -19.445 -13.762 17.506 1.00 0.00 O ATOM 876 CB MET A 602 -16.776 -12.717 15.783 1.00 0.00 C ATOM 877 CG MET A 602 -15.941 -11.445 15.532 1.00 0.00 C ATOM 878 SD MET A 602 -15.345 -11.310 13.828 1.00 0.00 S ATOM 879 CE MET A 602 -16.877 -11.187 12.904 1.00 0.00 C ATOM 0 H MET A 602 -15.197 -13.548 17.567 1.00 0.00 H new ATOM 0 HA MET A 602 -17.626 -12.015 17.643 1.00 0.00 H new ATOM 0 HB2 MET A 602 -16.205 -13.582 15.445 1.00 0.00 H new ATOM 0 HB3 MET A 602 -17.676 -12.670 15.170 1.00 0.00 H new ATOM 0 HG2 MET A 602 -16.544 -10.569 15.770 1.00 0.00 H new ATOM 0 HG3 MET A 602 -15.088 -11.438 16.210 1.00 0.00 H new ATOM 0 HE1 MET A 602 -16.660 -10.887 11.879 1.00 0.00 H new ATOM 0 HE2 MET A 602 -17.379 -12.155 12.901 1.00 0.00 H new ATOM 0 HE3 MET A 602 -17.524 -10.444 13.370 1.00 0.00 H new ATOM 889 N VAL A 603 -17.805 -15.328 17.306 1.00 0.00 N ATOM 890 CA VAL A 603 -18.726 -16.473 17.435 1.00 0.00 C ATOM 891 C VAL A 603 -19.261 -16.575 18.877 1.00 0.00 C ATOM 892 O VAL A 603 -20.407 -16.959 19.060 1.00 0.00 O ATOM 893 CB VAL A 603 -18.109 -17.848 16.966 1.00 0.00 C ATOM 894 CG1 VAL A 603 -17.686 -17.781 15.476 1.00 0.00 C ATOM 895 CG2 VAL A 603 -16.942 -18.314 17.875 1.00 0.00 C ATOM 0 H VAL A 603 -16.828 -15.586 17.170 1.00 0.00 H new ATOM 0 HA VAL A 603 -19.553 -16.274 16.753 1.00 0.00 H new ATOM 0 HB VAL A 603 -18.889 -18.603 17.062 1.00 0.00 H new ATOM 0 HG11 VAL A 603 -17.263 -18.739 15.174 1.00 0.00 H new ATOM 0 HG12 VAL A 603 -18.557 -17.559 14.860 1.00 0.00 H new ATOM 0 HG13 VAL A 603 -16.939 -16.998 15.345 1.00 0.00 H new ATOM 0 HG21 VAL A 603 -16.553 -19.264 17.509 1.00 0.00 H new ATOM 0 HG22 VAL A 603 -16.148 -17.567 17.860 1.00 0.00 H new ATOM 0 HG23 VAL A 603 -17.303 -18.439 18.896 1.00 0.00 H new ATOM 905 N LYS A 604 -18.432 -16.198 19.889 1.00 0.00 N ATOM 906 CA LYS A 604 -18.875 -16.096 21.305 1.00 0.00 C ATOM 907 C LYS A 604 -19.977 -15.035 21.436 1.00 0.00 C ATOM 908 O LYS A 604 -20.997 -15.282 22.071 1.00 0.00 O ATOM 909 CB LYS A 604 -17.695 -15.713 22.253 1.00 0.00 C ATOM 910 CG LYS A 604 -16.687 -16.839 22.557 1.00 0.00 C ATOM 911 CD LYS A 604 -15.519 -16.332 23.434 1.00 0.00 C ATOM 912 CE LYS A 604 -14.530 -17.437 23.838 1.00 0.00 C ATOM 913 NZ LYS A 604 -13.356 -16.881 24.549 1.00 0.00 N ATOM 0 H LYS A 604 -17.450 -15.959 19.748 1.00 0.00 H new ATOM 0 HA LYS A 604 -19.254 -17.075 21.598 1.00 0.00 H new ATOM 0 HB2 LYS A 604 -17.154 -14.877 21.810 1.00 0.00 H new ATOM 0 HB3 LYS A 604 -18.111 -15.359 23.196 1.00 0.00 H new ATOM 0 HG2 LYS A 604 -17.197 -17.657 23.065 1.00 0.00 H new ATOM 0 HG3 LYS A 604 -16.294 -17.240 21.622 1.00 0.00 H new ATOM 0 HD2 LYS A 604 -14.981 -15.554 22.893 1.00 0.00 H new ATOM 0 HD3 LYS A 604 -15.925 -15.872 24.335 1.00 0.00 H new ATOM 0 HE2 LYS A 604 -15.034 -18.162 24.477 1.00 0.00 H new ATOM 0 HE3 LYS A 604 -14.198 -17.973 22.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 604 -12.588 -17.583 24.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 604 -13.034 -16.018 24.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 604 -13.620 -16.651 25.528 1.00 0.00 H new ATOM 927 N ALA A 605 -19.748 -13.865 20.805 1.00 0.00 N ATOM 928 CA ALA A 605 -20.660 -12.705 20.888 1.00 0.00 C ATOM 929 C ALA A 605 -22.067 -13.048 20.369 1.00 0.00 C ATOM 930 O ALA A 605 -23.063 -12.742 21.015 1.00 0.00 O ATOM 931 CB ALA A 605 -20.078 -11.511 20.113 1.00 0.00 C ATOM 0 H ALA A 605 -18.926 -13.698 20.224 1.00 0.00 H new ATOM 0 HA ALA A 605 -20.755 -12.434 21.939 1.00 0.00 H new ATOM 0 HB1 ALA A 605 -20.761 -10.664 20.183 1.00 0.00 H new ATOM 0 HB2 ALA A 605 -19.113 -11.236 20.539 1.00 0.00 H new ATOM 0 HB3 ALA A 605 -19.947 -11.786 19.066 1.00 0.00 H new ATOM 937 N LYS A 606 -22.120 -13.718 19.210 1.00 0.00 N ATOM 938 CA LYS A 606 -23.385 -14.077 18.545 1.00 0.00 C ATOM 939 C LYS A 606 -24.065 -15.279 19.227 1.00 0.00 C ATOM 940 O LYS A 606 -25.275 -15.273 19.432 1.00 0.00 O ATOM 941 CB LYS A 606 -23.121 -14.386 17.059 1.00 0.00 C ATOM 942 CG LYS A 606 -22.501 -13.216 16.269 1.00 0.00 C ATOM 943 CD LYS A 606 -22.214 -13.533 14.780 1.00 0.00 C ATOM 944 CE LYS A 606 -21.162 -14.653 14.553 1.00 0.00 C ATOM 945 NZ LYS A 606 -21.695 -16.026 14.782 1.00 0.00 N ATOM 0 H LYS A 606 -21.289 -14.027 18.705 1.00 0.00 H new ATOM 0 HA LYS A 606 -24.063 -13.227 18.626 1.00 0.00 H new ATOM 0 HB2 LYS A 606 -22.457 -15.247 16.991 1.00 0.00 H new ATOM 0 HB3 LYS A 606 -24.061 -14.671 16.586 1.00 0.00 H new ATOM 0 HG2 LYS A 606 -23.173 -12.360 16.323 1.00 0.00 H new ATOM 0 HG3 LYS A 606 -21.569 -12.920 16.752 1.00 0.00 H new ATOM 0 HD2 LYS A 606 -23.147 -13.824 14.297 1.00 0.00 H new ATOM 0 HD3 LYS A 606 -21.870 -12.623 14.287 1.00 0.00 H new ATOM 0 HE2 LYS A 606 -20.784 -14.584 13.533 1.00 0.00 H new ATOM 0 HE3 LYS A 606 -20.315 -14.485 15.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 606 -21.325 -16.397 15.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 606 -22.734 -15.993 14.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 606 -21.399 -16.648 14.003 1.00 0.00 H new ATOM 959 N LYS A 607 -23.260 -16.299 19.582 1.00 0.00 N ATOM 960 CA LYS A 607 -23.770 -17.596 20.084 1.00 0.00 C ATOM 961 C LYS A 607 -24.276 -17.460 21.528 1.00 0.00 C ATOM 962 O LYS A 607 -25.303 -18.035 21.868 1.00 0.00 O ATOM 963 CB LYS A 607 -22.676 -18.705 19.939 1.00 0.00 C ATOM 964 CG LYS A 607 -23.131 -20.168 20.206 1.00 0.00 C ATOM 965 CD LYS A 607 -23.079 -20.578 21.703 1.00 0.00 C ATOM 966 CE LYS A 607 -23.474 -22.047 21.942 1.00 0.00 C ATOM 967 NZ LYS A 607 -24.893 -22.311 21.587 1.00 0.00 N ATOM 0 H LYS A 607 -22.242 -16.251 19.530 1.00 0.00 H new ATOM 0 HA LYS A 607 -24.623 -17.901 19.477 1.00 0.00 H new ATOM 0 HB2 LYS A 607 -22.269 -18.653 18.929 1.00 0.00 H new ATOM 0 HB3 LYS A 607 -21.860 -18.471 20.623 1.00 0.00 H new ATOM 0 HG2 LYS A 607 -24.150 -20.294 19.840 1.00 0.00 H new ATOM 0 HG3 LYS A 607 -22.499 -20.846 19.631 1.00 0.00 H new ATOM 0 HD2 LYS A 607 -22.071 -20.413 22.084 1.00 0.00 H new ATOM 0 HD3 LYS A 607 -23.746 -19.931 22.274 1.00 0.00 H new ATOM 0 HE2 LYS A 607 -22.827 -22.696 21.352 1.00 0.00 H new ATOM 0 HE3 LYS A 607 -23.310 -22.300 22.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 607 -25.444 -22.469 22.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 607 -25.280 -21.493 21.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 607 -24.948 -23.156 20.983 1.00 0.00 H new ATOM 981 N ALA A 608 -23.544 -16.695 22.363 1.00 0.00 N ATOM 982 CA ALA A 608 -23.929 -16.441 23.778 1.00 0.00 C ATOM 983 C ALA A 608 -25.156 -15.518 23.844 1.00 0.00 C ATOM 984 O ALA A 608 -26.026 -15.691 24.705 1.00 0.00 O ATOM 985 CB ALA A 608 -22.759 -15.837 24.572 1.00 0.00 C ATOM 0 H ALA A 608 -22.676 -16.237 22.085 1.00 0.00 H new ATOM 0 HA ALA A 608 -24.186 -17.397 24.233 1.00 0.00 H new ATOM 0 HB1 ALA A 608 -23.070 -15.662 25.602 1.00 0.00 H new ATOM 0 HB2 ALA A 608 -21.916 -16.528 24.560 1.00 0.00 H new ATOM 0 HB3 ALA A 608 -22.461 -14.892 24.118 1.00 0.00 H new ATOM 991 N ALA A 609 -25.207 -14.543 22.906 1.00 0.00 N ATOM 992 CA ALA A 609 -26.361 -13.633 22.754 1.00 0.00 C ATOM 993 C ALA A 609 -27.602 -14.426 22.340 1.00 0.00 C ATOM 994 O ALA A 609 -28.690 -14.193 22.852 1.00 0.00 O ATOM 995 CB ALA A 609 -26.073 -12.529 21.727 1.00 0.00 C ATOM 0 H ALA A 609 -24.455 -14.368 22.240 1.00 0.00 H new ATOM 0 HA ALA A 609 -26.542 -13.155 23.717 1.00 0.00 H new ATOM 0 HB1 ALA A 609 -26.942 -11.877 21.640 1.00 0.00 H new ATOM 0 HB2 ALA A 609 -25.213 -11.944 22.053 1.00 0.00 H new ATOM 0 HB3 ALA A 609 -25.859 -12.980 20.758 1.00 0.00 H new ATOM 1001 N GLN A 610 -27.408 -15.391 21.421 1.00 0.00 N ATOM 1002 CA GLN A 610 -28.481 -16.292 20.976 1.00 0.00 C ATOM 1003 C GLN A 610 -28.900 -17.214 22.138 1.00 0.00 C ATOM 1004 O GLN A 610 -30.081 -17.408 22.366 1.00 0.00 O ATOM 1005 CB GLN A 610 -28.036 -17.147 19.753 1.00 0.00 C ATOM 1006 CG GLN A 610 -29.142 -18.086 19.208 1.00 0.00 C ATOM 1007 CD GLN A 610 -28.715 -18.921 17.999 1.00 0.00 C ATOM 1008 OE1 GLN A 610 -27.882 -18.500 17.199 1.00 0.00 O ATOM 1009 NE2 GLN A 610 -29.285 -20.114 17.863 1.00 0.00 N ATOM 0 H GLN A 610 -26.509 -15.565 20.971 1.00 0.00 H new ATOM 0 HA GLN A 610 -29.330 -15.682 20.667 1.00 0.00 H new ATOM 0 HB2 GLN A 610 -27.713 -16.480 18.954 1.00 0.00 H new ATOM 0 HB3 GLN A 610 -27.171 -17.747 20.037 1.00 0.00 H new ATOM 0 HG2 GLN A 610 -29.459 -18.758 20.006 1.00 0.00 H new ATOM 0 HG3 GLN A 610 -30.010 -17.486 18.933 1.00 0.00 H new ATOM 0 HE21 GLN A 610 -29.973 -20.432 18.546 1.00 0.00 H new ATOM 0 HE22 GLN A 610 -29.035 -20.712 17.076 1.00 0.00 H new ATOM 1018 N GLU A 611 -27.896 -17.712 22.890 1.00 0.00 N ATOM 1019 CA GLU A 611 -28.069 -18.718 23.964 1.00 0.00 C ATOM 1020 C GLU A 611 -29.007 -18.211 25.074 1.00 0.00 C ATOM 1021 O GLU A 611 -29.897 -18.939 25.529 1.00 0.00 O ATOM 1022 CB GLU A 611 -26.693 -19.085 24.580 1.00 0.00 C ATOM 1023 CG GLU A 611 -26.704 -20.294 25.535 1.00 0.00 C ATOM 1024 CD GLU A 611 -26.917 -21.632 24.808 1.00 0.00 C ATOM 1025 OE1 GLU A 611 -25.919 -22.216 24.329 1.00 0.00 O ATOM 1026 OE2 GLU A 611 -28.064 -22.111 24.714 1.00 0.00 O ATOM 0 H GLU A 611 -26.926 -17.423 22.767 1.00 0.00 H new ATOM 0 HA GLU A 611 -28.520 -19.602 23.514 1.00 0.00 H new ATOM 0 HB2 GLU A 611 -25.993 -19.288 23.770 1.00 0.00 H new ATOM 0 HB3 GLU A 611 -26.312 -18.219 25.121 1.00 0.00 H new ATOM 0 HG2 GLU A 611 -25.760 -20.329 26.079 1.00 0.00 H new ATOM 0 HG3 GLU A 611 -27.493 -20.159 26.274 1.00 0.00 H new ATOM 1033 N GLN A 612 -28.783 -16.955 25.501 1.00 0.00 N ATOM 1034 CA GLN A 612 -29.598 -16.310 26.552 1.00 0.00 C ATOM 1035 C GLN A 612 -31.024 -16.007 26.036 1.00 0.00 C ATOM 1036 O GLN A 612 -31.985 -16.076 26.802 1.00 0.00 O ATOM 1037 CB GLN A 612 -28.905 -15.026 27.091 1.00 0.00 C ATOM 1038 CG GLN A 612 -28.635 -13.928 26.042 1.00 0.00 C ATOM 1039 CD GLN A 612 -28.031 -12.647 26.631 1.00 0.00 C ATOM 1040 OE1 GLN A 612 -27.324 -12.681 27.638 1.00 0.00 O ATOM 1041 NE2 GLN A 612 -28.295 -11.513 25.996 1.00 0.00 N ATOM 0 H GLN A 612 -28.040 -16.362 25.133 1.00 0.00 H new ATOM 0 HA GLN A 612 -29.687 -17.008 27.385 1.00 0.00 H new ATOM 0 HB2 GLN A 612 -29.525 -14.604 27.882 1.00 0.00 H new ATOM 0 HB3 GLN A 612 -27.956 -15.310 27.547 1.00 0.00 H new ATOM 0 HG2 GLN A 612 -27.959 -14.322 25.283 1.00 0.00 H new ATOM 0 HG3 GLN A 612 -29.570 -13.680 25.539 1.00 0.00 H new ATOM 0 HE21 GLN A 612 -28.885 -11.520 25.164 1.00 0.00 H new ATOM 0 HE22 GLN A 612 -27.908 -10.634 26.340 1.00 0.00 H new ATOM 1050 N VAL A 613 -31.137 -15.689 24.725 1.00 0.00 N ATOM 1051 CA VAL A 613 -32.438 -15.479 24.040 1.00 0.00 C ATOM 1052 C VAL A 613 -33.216 -16.817 23.922 1.00 0.00 C ATOM 1053 O VAL A 613 -34.439 -16.836 24.074 1.00 0.00 O ATOM 1054 CB VAL A 613 -32.241 -14.807 22.620 1.00 0.00 C ATOM 1055 CG1 VAL A 613 -33.563 -14.766 21.804 1.00 0.00 C ATOM 1056 CG2 VAL A 613 -31.642 -13.380 22.760 1.00 0.00 C ATOM 0 H VAL A 613 -30.331 -15.571 24.111 1.00 0.00 H new ATOM 0 HA VAL A 613 -33.029 -14.793 24.646 1.00 0.00 H new ATOM 0 HB VAL A 613 -31.536 -15.429 22.068 1.00 0.00 H new ATOM 0 HG11 VAL A 613 -33.380 -14.297 20.837 1.00 0.00 H new ATOM 0 HG12 VAL A 613 -33.928 -15.782 21.651 1.00 0.00 H new ATOM 0 HG13 VAL A 613 -34.310 -14.191 22.351 1.00 0.00 H new ATOM 0 HG21 VAL A 613 -31.516 -12.940 21.771 1.00 0.00 H new ATOM 0 HG22 VAL A 613 -32.315 -12.759 23.351 1.00 0.00 H new ATOM 0 HG23 VAL A 613 -30.674 -13.439 23.257 1.00 0.00 H new ATOM 1066 N LEU A 614 -32.475 -17.930 23.710 1.00 0.00 N ATOM 1067 CA LEU A 614 -33.051 -19.292 23.582 1.00 0.00 C ATOM 1068 C LEU A 614 -33.673 -19.714 24.917 1.00 0.00 C ATOM 1069 O LEU A 614 -34.831 -20.117 24.969 1.00 0.00 O ATOM 1070 CB LEU A 614 -31.961 -20.327 23.163 1.00 0.00 C ATOM 1071 CG LEU A 614 -31.349 -20.156 21.739 1.00 0.00 C ATOM 1072 CD1 LEU A 614 -30.162 -21.125 21.523 1.00 0.00 C ATOM 1073 CD2 LEU A 614 -32.427 -20.298 20.638 1.00 0.00 C ATOM 0 H LEU A 614 -31.459 -17.910 23.623 1.00 0.00 H new ATOM 0 HA LEU A 614 -33.817 -19.268 22.807 1.00 0.00 H new ATOM 0 HB2 LEU A 614 -31.150 -20.282 23.890 1.00 0.00 H new ATOM 0 HB3 LEU A 614 -32.394 -21.325 23.230 1.00 0.00 H new ATOM 0 HG LEU A 614 -30.955 -19.143 21.663 1.00 0.00 H new ATOM 0 HD11 LEU A 614 -29.755 -20.984 20.522 1.00 0.00 H new ATOM 0 HD12 LEU A 614 -29.387 -20.922 22.262 1.00 0.00 H new ATOM 0 HD13 LEU A 614 -30.507 -22.153 21.633 1.00 0.00 H new ATOM 0 HD21 LEU A 614 -31.965 -20.173 19.659 1.00 0.00 H new ATOM 0 HD22 LEU A 614 -32.883 -21.286 20.701 1.00 0.00 H new ATOM 0 HD23 LEU A 614 -33.193 -19.535 20.778 1.00 0.00 H new ATOM 1085 N ASN A 615 -32.872 -19.573 25.991 1.00 0.00 N ATOM 1086 CA ASN A 615 -33.264 -19.915 27.373 1.00 0.00 C ATOM 1087 C ASN A 615 -34.470 -19.060 27.825 1.00 0.00 C ATOM 1088 O ASN A 615 -35.396 -19.566 28.476 1.00 0.00 O ATOM 1089 CB ASN A 615 -32.046 -19.693 28.317 1.00 0.00 C ATOM 1090 CG ASN A 615 -32.262 -20.172 29.759 1.00 0.00 C ATOM 1091 OD1 ASN A 615 -32.982 -21.140 30.004 1.00 0.00 O ATOM 1092 ND2 ASN A 615 -31.623 -19.523 30.724 1.00 0.00 N ATOM 0 H ASN A 615 -31.920 -19.213 25.922 1.00 0.00 H new ATOM 0 HA ASN A 615 -33.566 -20.961 27.415 1.00 0.00 H new ATOM 0 HB2 ASN A 615 -31.181 -20.211 27.901 1.00 0.00 H new ATOM 0 HB3 ASN A 615 -31.804 -18.630 28.333 1.00 0.00 H new ATOM 0 HD21 ASN A 615 -31.723 -19.824 31.694 1.00 0.00 H new ATOM 0 HD22 ASN A 615 -31.032 -18.724 30.496 1.00 0.00 H new ATOM 1099 N ALA A 616 -34.441 -17.769 27.442 1.00 0.00 N ATOM 1100 CA ALA A 616 -35.511 -16.800 27.743 1.00 0.00 C ATOM 1101 C ALA A 616 -36.805 -17.143 26.977 1.00 0.00 C ATOM 1102 O ALA A 616 -37.907 -16.936 27.484 1.00 0.00 O ATOM 1103 CB ALA A 616 -35.047 -15.380 27.388 1.00 0.00 C ATOM 0 H ALA A 616 -33.668 -17.367 26.911 1.00 0.00 H new ATOM 0 HA ALA A 616 -35.727 -16.852 28.810 1.00 0.00 H new ATOM 0 HB1 ALA A 616 -35.843 -14.670 27.613 1.00 0.00 H new ATOM 0 HB2 ALA A 616 -34.162 -15.130 27.972 1.00 0.00 H new ATOM 0 HB3 ALA A 616 -34.807 -15.331 26.326 1.00 0.00 H new ATOM 1109 N SER A 617 -36.639 -17.673 25.749 1.00 0.00 N ATOM 1110 CA SER A 617 -37.761 -18.069 24.873 1.00 0.00 C ATOM 1111 C SER A 617 -38.448 -19.340 25.421 1.00 0.00 C ATOM 1112 O SER A 617 -39.667 -19.507 25.291 1.00 0.00 O ATOM 1113 CB SER A 617 -37.262 -18.305 23.422 1.00 0.00 C ATOM 1114 OG SER A 617 -38.336 -18.554 22.535 1.00 0.00 O ATOM 0 H SER A 617 -35.722 -17.839 25.335 1.00 0.00 H new ATOM 0 HA SER A 617 -38.490 -17.259 24.858 1.00 0.00 H new ATOM 0 HB2 SER A 617 -36.704 -17.433 23.082 1.00 0.00 H new ATOM 0 HB3 SER A 617 -36.573 -19.150 23.406 1.00 0.00 H new ATOM 0 HG SER A 617 -37.987 -18.697 21.630 1.00 0.00 H new ATOM 1120 N ARG A 618 -37.639 -20.237 26.025 1.00 0.00 N ATOM 1121 CA ARG A 618 -38.122 -21.486 26.662 1.00 0.00 C ATOM 1122 C ARG A 618 -38.755 -21.184 28.030 1.00 0.00 C ATOM 1123 O ARG A 618 -39.559 -21.974 28.535 1.00 0.00 O ATOM 1124 CB ARG A 618 -36.956 -22.502 26.808 1.00 0.00 C ATOM 1125 CG ARG A 618 -36.280 -22.903 25.476 1.00 0.00 C ATOM 1126 CD ARG A 618 -37.244 -23.603 24.509 1.00 0.00 C ATOM 1127 NE ARG A 618 -36.601 -23.897 23.210 1.00 0.00 N ATOM 1128 CZ ARG A 618 -36.553 -25.100 22.622 1.00 0.00 C ATOM 1129 NH1 ARG A 618 -37.043 -26.182 23.223 1.00 0.00 N ATOM 1130 NH2 ARG A 618 -35.974 -25.231 21.435 1.00 0.00 N ATOM 0 H ARG A 618 -36.628 -20.117 26.086 1.00 0.00 H new ATOM 0 HA ARG A 618 -38.887 -21.929 26.024 1.00 0.00 H new ATOM 0 HB2 ARG A 618 -36.201 -22.076 27.469 1.00 0.00 H new ATOM 0 HB3 ARG A 618 -37.334 -23.402 27.293 1.00 0.00 H new ATOM 0 HG2 ARG A 618 -35.875 -22.012 24.997 1.00 0.00 H new ATOM 0 HG3 ARG A 618 -35.438 -23.563 25.685 1.00 0.00 H new ATOM 0 HD2 ARG A 618 -37.599 -24.531 24.957 1.00 0.00 H new ATOM 0 HD3 ARG A 618 -38.118 -22.973 24.347 1.00 0.00 H new ATOM 0 HE ARG A 618 -36.157 -23.119 22.721 1.00 0.00 H new ATOM 0 HH11 ARG A 618 -37.465 -26.104 24.148 1.00 0.00 H new ATOM 0 HH12 ARG A 618 -36.997 -27.089 22.758 1.00 0.00 H new ATOM 0 HH21 ARG A 618 -35.567 -24.417 20.973 1.00 0.00 H new ATOM 0 HH22 ARG A 618 -35.936 -26.145 20.984 1.00 0.00 H new ATOM 1144 N ALA A 619 -38.373 -20.041 28.618 1.00 0.00 N ATOM 1145 CA ALA A 619 -39.007 -19.499 29.829 1.00 0.00 C ATOM 1146 C ALA A 619 -40.327 -18.809 29.458 1.00 0.00 C ATOM 1147 O ALA A 619 -40.556 -18.454 28.291 1.00 0.00 O ATOM 1148 CB ALA A 619 -38.052 -18.515 30.534 1.00 0.00 C ATOM 0 H ALA A 619 -37.611 -19.463 28.265 1.00 0.00 H new ATOM 0 HA ALA A 619 -39.223 -20.315 30.519 1.00 0.00 H new ATOM 0 HB1 ALA A 619 -38.532 -18.120 31.429 1.00 0.00 H new ATOM 0 HB2 ALA A 619 -37.135 -19.035 30.813 1.00 0.00 H new ATOM 0 HB3 ALA A 619 -37.812 -17.694 29.859 1.00 0.00 H new ATOM 1154 N LYS A 620 -41.188 -18.617 30.466 1.00 0.00 N ATOM 1155 CA LYS A 620 -42.504 -17.954 30.313 1.00 0.00 C ATOM 1156 C LYS A 620 -42.723 -16.951 31.465 1.00 0.00 C ATOM 1157 O LYS A 620 -41.825 -16.734 32.289 1.00 0.00 O ATOM 1158 CB LYS A 620 -43.634 -19.026 30.255 1.00 0.00 C ATOM 1159 CG LYS A 620 -43.683 -19.989 31.461 1.00 0.00 C ATOM 1160 CD LYS A 620 -44.770 -21.088 31.312 1.00 0.00 C ATOM 1161 CE LYS A 620 -44.755 -22.096 32.477 1.00 0.00 C ATOM 1162 NZ LYS A 620 -45.819 -23.115 32.337 1.00 0.00 N ATOM 0 H LYS A 620 -40.996 -18.918 31.422 1.00 0.00 H new ATOM 0 HA LYS A 620 -42.529 -17.395 29.377 1.00 0.00 H new ATOM 0 HB2 LYS A 620 -44.594 -18.516 30.177 1.00 0.00 H new ATOM 0 HB3 LYS A 620 -43.511 -19.613 29.345 1.00 0.00 H new ATOM 0 HG2 LYS A 620 -42.709 -20.463 31.581 1.00 0.00 H new ATOM 0 HG3 LYS A 620 -43.874 -19.417 32.369 1.00 0.00 H new ATOM 0 HD2 LYS A 620 -45.752 -20.618 31.256 1.00 0.00 H new ATOM 0 HD3 LYS A 620 -44.617 -21.621 30.373 1.00 0.00 H new ATOM 0 HE2 LYS A 620 -43.784 -22.589 32.519 1.00 0.00 H new ATOM 0 HE3 LYS A 620 -44.883 -21.564 33.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 620 -45.776 -23.775 33.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 620 -46.748 -22.647 32.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 620 -45.682 -23.640 31.450 1.00 0.00 H new ATOM 1176 N LYS A 621 -43.906 -16.318 31.497 1.00 0.00 N ATOM 1177 CA LYS A 621 -44.246 -15.322 32.524 1.00 0.00 C ATOM 1178 C LYS A 621 -44.577 -16.037 33.859 1.00 0.00 C ATOM 1179 CB LYS A 621 -45.418 -14.429 32.040 1.00 0.00 C ATOM 1180 CG LYS A 621 -45.772 -13.265 32.998 1.00 0.00 C ATOM 1181 CD LYS A 621 -44.589 -12.290 33.236 1.00 0.00 C ATOM 1182 CE LYS A 621 -44.941 -11.153 34.214 1.00 0.00 C ATOM 1183 NZ LYS A 621 -43.811 -10.216 34.401 1.00 0.00 N ATOM 0 H LYS A 621 -44.649 -16.481 30.817 1.00 0.00 H new ATOM 0 HA LYS A 621 -43.390 -14.669 32.697 1.00 0.00 H new ATOM 0 HB2 LYS A 621 -45.165 -14.016 31.064 1.00 0.00 H new ATOM 0 HB3 LYS A 621 -46.302 -15.052 31.903 1.00 0.00 H new ATOM 0 HG2 LYS A 621 -46.616 -12.710 32.589 1.00 0.00 H new ATOM 0 HG3 LYS A 621 -46.095 -13.675 33.955 1.00 0.00 H new ATOM 0 HD2 LYS A 621 -43.737 -12.848 33.625 1.00 0.00 H new ATOM 0 HD3 LYS A 621 -44.280 -11.861 32.283 1.00 0.00 H new ATOM 0 HE2 LYS A 621 -45.807 -10.607 33.839 1.00 0.00 H new ATOM 0 HE3 LYS A 621 -45.224 -11.577 35.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 621 -44.088 -9.466 35.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 621 -42.992 -10.731 34.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 621 -43.557 -9.791 33.486 1.00 0.00 H new TER 1197 LYS A 621