USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 677 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 80 HIS : no HD1:sc= -0.263 K(o=-0.37,f=-7.1!) USER MOD Set 1.2: A 81 HIS : no HD1:sc= -0.109 X(o=-0.37,f=-0.32) USER MOD Set 2.1: A 24 GLN : amide:sc= -5.69! C(o=-9.2!,f=-6.2!) USER MOD Set 2.2: A 28 SER OG : rot 77:sc= -3.54! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -120:sc= 0.0872 (180deg=-0.271) USER MOD Single : A 2 GLN : amide:sc= -2.75 K(o=-2.8,f=-0.33!) USER MOD Single : A 3 TYR OH : rot 143:sc= 0 USER MOD Single : A 4 THR OG1 : rot 177:sc= 0.00407 USER MOD Single : A 7 THR OG1 : rot -109:sc= 1.51 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -109:sc= 0.415 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 10:sc= -0.0273 USER MOD Single : A 38 ASN : amide:sc= -1.95 K(o=-1.9,f=0) USER MOD Single : A 50 HIS : no HD1:sc= -6.6! C(o=-6.6!,f=-10!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.806 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -173:sc= -0.329 (180deg=-0.423) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HD1:sc= 0.319 K(o=0.32,f=-1.1) USER MOD Single : A 79 HIS : no HD1:sc= -3.01! C(o=-3!,f=-7.3!) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 HIS : no HE2:sc= -0.518 K(o=-0.52,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.659 -19.032 -6.971 1.00 0.00 N ATOM 2 CA MET A 1 -16.836 -19.602 -8.074 1.00 0.00 C ATOM 3 C MET A 1 -15.973 -18.503 -8.684 1.00 0.00 C ATOM 4 O MET A 1 -16.221 -17.316 -8.473 1.00 0.00 O ATOM 5 CB MET A 1 -17.756 -20.200 -9.139 1.00 0.00 C ATOM 6 CG MET A 1 -18.414 -21.468 -8.589 1.00 0.00 C ATOM 7 SD MET A 1 -19.513 -22.181 -9.840 1.00 0.00 S ATOM 8 CE MET A 1 -20.981 -21.189 -9.464 1.00 0.00 C ATOM 0 H1 MET A 1 -17.431 -19.518 -6.081 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.454 -18.017 -6.874 1.00 0.00 H new ATOM 0 H3 MET A 1 -18.668 -19.162 -7.188 1.00 0.00 H new ATOM 0 HA MET A 1 -16.188 -20.386 -7.682 1.00 0.00 H new ATOM 0 HB2 MET A 1 -18.519 -19.476 -9.424 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.186 -20.434 -10.038 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.650 -22.193 -8.308 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.979 -21.234 -7.687 1.00 0.00 H new ATOM 0 HE1 MET A 1 -21.793 -21.473 -10.133 1.00 0.00 H new ATOM 0 HE2 MET A 1 -21.283 -21.364 -8.431 1.00 0.00 H new ATOM 0 HE3 MET A 1 -20.751 -20.132 -9.601 1.00 0.00 H new ATOM 20 N GLN A 2 -14.957 -18.908 -9.438 1.00 0.00 N ATOM 21 CA GLN A 2 -14.058 -17.951 -10.075 1.00 0.00 C ATOM 22 C GLN A 2 -13.578 -16.910 -9.070 1.00 0.00 C ATOM 23 O GLN A 2 -12.582 -17.114 -8.382 1.00 0.00 O ATOM 24 CB GLN A 2 -14.771 -17.256 -11.238 1.00 0.00 C ATOM 25 CG GLN A 2 -13.804 -16.299 -11.953 1.00 0.00 C ATOM 26 CD GLN A 2 -12.717 -17.099 -12.636 1.00 0.00 C ATOM 27 OE1 GLN A 2 -11.539 -16.743 -12.581 1.00 0.00 O ATOM 28 NE2 GLN A 2 -13.059 -18.164 -13.279 1.00 0.00 N ATOM 0 H GLN A 2 -14.736 -19.886 -9.623 1.00 0.00 H new ATOM 0 HA GLN A 2 -13.192 -18.494 -10.454 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -15.146 -17.999 -11.941 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -15.635 -16.704 -10.868 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -14.344 -15.699 -12.686 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -13.364 -15.606 -11.236 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -14.039 -18.445 -13.315 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -12.350 -18.725 -13.751 1.00 0.00 H new ATOM 37 N TYR A 3 -14.290 -15.790 -8.997 1.00 0.00 N ATOM 38 CA TYR A 3 -13.923 -14.723 -8.079 1.00 0.00 C ATOM 39 C TYR A 3 -14.230 -15.134 -6.648 1.00 0.00 C ATOM 40 O TYR A 3 -15.327 -14.899 -6.143 1.00 0.00 O ATOM 41 CB TYR A 3 -14.704 -13.456 -8.427 1.00 0.00 C ATOM 42 CG TYR A 3 -14.299 -12.972 -9.798 1.00 0.00 C ATOM 43 CD1 TYR A 3 -14.845 -13.566 -10.945 1.00 0.00 C ATOM 44 CD2 TYR A 3 -13.383 -11.921 -9.925 1.00 0.00 C ATOM 45 CE1 TYR A 3 -14.474 -13.107 -12.214 1.00 0.00 C ATOM 46 CE2 TYR A 3 -13.013 -11.465 -11.194 1.00 0.00 C ATOM 47 CZ TYR A 3 -13.558 -12.059 -12.338 1.00 0.00 C ATOM 48 OH TYR A 3 -13.193 -11.610 -13.589 1.00 0.00 O ATOM 0 H TYR A 3 -15.119 -15.600 -9.560 1.00 0.00 H new ATOM 0 HA TYR A 3 -12.854 -14.529 -8.170 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -15.775 -13.659 -8.403 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -14.510 -12.682 -7.685 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -15.551 -14.377 -10.849 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -12.962 -11.462 -9.043 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -14.896 -13.563 -13.098 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -12.306 -10.654 -11.291 1.00 0.00 H new ATOM 0 HH TYR A 3 -13.087 -10.636 -13.569 1.00 0.00 H new ATOM 58 N THR A 4 -13.250 -15.761 -5.999 1.00 0.00 N ATOM 59 CA THR A 4 -13.414 -16.222 -4.619 1.00 0.00 C ATOM 60 C THR A 4 -12.635 -15.308 -3.665 1.00 0.00 C ATOM 61 O THR A 4 -11.679 -14.646 -4.072 1.00 0.00 O ATOM 62 CB THR A 4 -12.913 -17.684 -4.478 1.00 0.00 C ATOM 63 OG1 THR A 4 -11.759 -17.723 -3.649 1.00 0.00 O ATOM 64 CG2 THR A 4 -12.563 -18.262 -5.853 1.00 0.00 C ATOM 0 H THR A 4 -12.336 -15.962 -6.404 1.00 0.00 H new ATOM 0 HA THR A 4 -14.472 -16.187 -4.361 1.00 0.00 H new ATOM 0 HB THR A 4 -13.708 -18.279 -4.029 1.00 0.00 H new ATOM 0 HG1 THR A 4 -11.477 -18.653 -3.524 1.00 0.00 H new ATOM 0 HG21 THR A 4 -12.213 -19.288 -5.738 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.448 -18.250 -6.489 1.00 0.00 H new ATOM 0 HG23 THR A 4 -11.778 -17.660 -6.312 1.00 0.00 H new ATOM 72 N PRO A 5 -13.024 -15.263 -2.416 1.00 0.00 N ATOM 73 CA PRO A 5 -12.347 -14.414 -1.390 1.00 0.00 C ATOM 74 C PRO A 5 -10.910 -14.870 -1.129 1.00 0.00 C ATOM 75 O PRO A 5 -10.041 -14.059 -0.813 1.00 0.00 O ATOM 76 CB PRO A 5 -13.229 -14.579 -0.137 1.00 0.00 C ATOM 77 CG PRO A 5 -13.948 -15.875 -0.336 1.00 0.00 C ATOM 78 CD PRO A 5 -14.150 -16.017 -1.842 1.00 0.00 C ATOM 0 HA PRO A 5 -12.255 -13.375 -1.707 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -12.625 -14.598 0.770 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -13.930 -13.750 -0.036 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -13.367 -16.708 0.060 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -14.904 -15.875 0.188 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -14.132 -17.062 -2.152 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -15.109 -15.607 -2.158 1.00 0.00 H new ATOM 86 N ASP A 6 -10.670 -16.175 -1.262 1.00 0.00 N ATOM 87 CA ASP A 6 -9.336 -16.736 -1.039 1.00 0.00 C ATOM 88 C ASP A 6 -8.993 -17.756 -2.119 1.00 0.00 C ATOM 89 O ASP A 6 -9.338 -18.932 -2.007 1.00 0.00 O ATOM 90 CB ASP A 6 -9.290 -17.411 0.333 1.00 0.00 C ATOM 91 CG ASP A 6 -9.360 -16.357 1.431 1.00 0.00 C ATOM 92 OD1 ASP A 6 -9.119 -15.199 1.130 1.00 0.00 O ATOM 93 OD2 ASP A 6 -9.661 -16.720 2.557 1.00 0.00 O ATOM 0 H ASP A 6 -11.378 -16.861 -1.522 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.606 -15.927 -1.079 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.121 -18.109 0.433 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -8.373 -17.992 0.432 1.00 0.00 H new ATOM 98 N THR A 7 -8.299 -17.301 -3.161 1.00 0.00 N ATOM 99 CA THR A 7 -7.898 -18.185 -4.256 1.00 0.00 C ATOM 100 C THR A 7 -6.490 -17.835 -4.716 1.00 0.00 C ATOM 101 O THR A 7 -6.065 -16.686 -4.620 1.00 0.00 O ATOM 102 CB THR A 7 -8.866 -18.044 -5.435 1.00 0.00 C ATOM 103 OG1 THR A 7 -8.378 -18.787 -6.542 1.00 0.00 O ATOM 104 CG2 THR A 7 -8.994 -16.572 -5.824 1.00 0.00 C ATOM 0 H THR A 7 -8.004 -16.331 -3.271 1.00 0.00 H new ATOM 0 HA THR A 7 -7.919 -19.214 -3.897 1.00 0.00 H new ATOM 0 HB THR A 7 -9.845 -18.426 -5.144 1.00 0.00 H new ATOM 0 HG1 THR A 7 -8.064 -18.171 -7.237 1.00 0.00 H new ATOM 0 HG21 THR A 7 -9.683 -16.476 -6.663 1.00 0.00 H new ATOM 0 HG22 THR A 7 -9.374 -16.003 -4.975 1.00 0.00 H new ATOM 0 HG23 THR A 7 -8.016 -16.185 -6.112 1.00 0.00 H new ATOM 112 N ALA A 8 -5.776 -18.833 -5.230 1.00 0.00 N ATOM 113 CA ALA A 8 -4.412 -18.620 -5.724 1.00 0.00 C ATOM 114 C ALA A 8 -4.421 -18.614 -7.244 1.00 0.00 C ATOM 115 O ALA A 8 -4.509 -19.667 -7.879 1.00 0.00 O ATOM 116 CB ALA A 8 -3.498 -19.740 -5.223 1.00 0.00 C ATOM 0 H ALA A 8 -6.113 -19.792 -5.317 1.00 0.00 H new ATOM 0 HA ALA A 8 -4.041 -17.663 -5.356 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -2.486 -19.577 -5.593 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -3.490 -19.743 -4.133 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -3.866 -20.700 -5.585 1.00 0.00 H new ATOM 122 N TRP A 9 -4.347 -17.418 -7.829 1.00 0.00 N ATOM 123 CA TRP A 9 -4.366 -17.283 -9.287 1.00 0.00 C ATOM 124 C TRP A 9 -2.947 -17.172 -9.823 1.00 0.00 C ATOM 125 O TRP A 9 -2.138 -16.403 -9.309 1.00 0.00 O ATOM 126 CB TRP A 9 -5.167 -16.031 -9.683 1.00 0.00 C ATOM 127 CG TRP A 9 -6.638 -16.302 -9.568 1.00 0.00 C ATOM 128 CD1 TRP A 9 -7.199 -17.280 -8.819 1.00 0.00 C ATOM 129 CD2 TRP A 9 -7.744 -15.602 -10.212 1.00 0.00 C ATOM 130 NE1 TRP A 9 -8.569 -17.225 -8.961 1.00 0.00 N ATOM 131 CE2 TRP A 9 -8.955 -16.210 -9.807 1.00 0.00 C ATOM 132 CE3 TRP A 9 -7.815 -14.512 -11.098 1.00 0.00 C ATOM 133 CZ2 TRP A 9 -10.187 -15.757 -10.260 1.00 0.00 C ATOM 134 CZ3 TRP A 9 -9.061 -14.051 -11.559 1.00 0.00 C ATOM 135 CH2 TRP A 9 -10.245 -14.674 -11.139 1.00 0.00 C ATOM 0 H TRP A 9 -4.274 -16.536 -7.322 1.00 0.00 H new ATOM 0 HA TRP A 9 -4.839 -18.167 -9.716 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -4.892 -15.195 -9.040 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -4.922 -15.741 -10.705 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -6.660 -17.989 -8.208 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -9.218 -17.859 -8.496 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -6.908 -14.026 -11.426 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -11.096 -16.240 -9.934 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -9.106 -13.214 -12.239 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -11.200 -14.317 -11.495 1.00 0.00 H new ATOM 146 N LYS A 10 -2.652 -17.947 -10.865 1.00 0.00 N ATOM 147 CA LYS A 10 -1.325 -17.925 -11.468 1.00 0.00 C ATOM 148 C LYS A 10 -1.260 -16.836 -12.529 1.00 0.00 C ATOM 149 O LYS A 10 -2.100 -16.786 -13.421 1.00 0.00 O ATOM 150 CB LYS A 10 -1.013 -19.291 -12.103 1.00 0.00 C ATOM 151 CG LYS A 10 0.498 -19.545 -12.089 1.00 0.00 C ATOM 152 CD LYS A 10 0.786 -20.953 -12.603 1.00 0.00 C ATOM 153 CE LYS A 10 2.288 -21.210 -12.533 1.00 0.00 C ATOM 154 NZ LYS A 10 2.581 -22.581 -13.029 1.00 0.00 N ATOM 0 H LYS A 10 -3.309 -18.592 -11.305 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.586 -17.717 -10.694 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.528 -20.081 -11.556 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.385 -19.318 -13.127 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.006 -18.809 -12.712 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.887 -19.430 -11.077 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.250 -21.689 -12.004 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.433 -21.059 -13.629 1.00 0.00 H new ATOM 0 HE2 LYS A 10 2.822 -20.473 -13.133 1.00 0.00 H new ATOM 0 HE3 LYS A 10 2.639 -21.100 -11.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 3.605 -22.756 -12.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 2.083 -23.278 -12.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 2.260 -22.670 -14.014 1.00 0.00 H new ATOM 168 N ILE A 11 -0.266 -15.969 -12.422 1.00 0.00 N ATOM 169 CA ILE A 11 -0.110 -14.877 -13.374 1.00 0.00 C ATOM 170 C ILE A 11 0.583 -15.374 -14.636 1.00 0.00 C ATOM 171 O ILE A 11 1.694 -15.900 -14.576 1.00 0.00 O ATOM 172 CB ILE A 11 0.728 -13.761 -12.742 1.00 0.00 C ATOM 173 CG1 ILE A 11 0.166 -13.409 -11.366 1.00 0.00 C ATOM 174 CG2 ILE A 11 0.666 -12.514 -13.626 1.00 0.00 C ATOM 175 CD1 ILE A 11 1.165 -12.525 -10.617 1.00 0.00 C ATOM 0 H ILE A 11 0.443 -15.998 -11.689 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.096 -14.494 -13.636 1.00 0.00 H new ATOM 0 HB ILE A 11 1.758 -14.103 -12.645 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.786 -12.890 -11.473 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.029 -14.318 -10.797 1.00 0.00 H new ATOM 0 HG21 ILE A 11 1.262 -11.720 -13.177 1.00 0.00 H new ATOM 0 HG22 ILE A 11 1.060 -12.749 -14.615 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.369 -12.184 -13.717 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.764 -12.274 -9.635 1.00 0.00 H new ATOM 0 HD12 ILE A 11 2.107 -13.061 -10.498 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.337 -11.610 -11.183 1.00 0.00 H new ATOM 187 N THR A 12 -0.076 -15.202 -15.782 1.00 0.00 N ATOM 188 CA THR A 12 0.491 -15.634 -17.061 1.00 0.00 C ATOM 189 C THR A 12 1.006 -14.433 -17.851 1.00 0.00 C ATOM 190 O THR A 12 2.134 -14.440 -18.345 1.00 0.00 O ATOM 191 CB THR A 12 -0.576 -16.365 -17.877 1.00 0.00 C ATOM 192 OG1 THR A 12 -1.197 -17.350 -17.064 1.00 0.00 O ATOM 193 CG2 THR A 12 0.073 -17.034 -19.088 1.00 0.00 C ATOM 0 H THR A 12 -0.997 -14.770 -15.852 1.00 0.00 H new ATOM 0 HA THR A 12 1.325 -16.307 -16.863 1.00 0.00 H new ATOM 0 HB THR A 12 -1.325 -15.651 -18.220 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.883 -17.819 -17.584 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.689 -17.554 -19.668 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.549 -16.276 -19.711 1.00 0.00 H new ATOM 0 HG23 THR A 12 0.823 -17.749 -18.750 1.00 0.00 H new ATOM 201 N GLY A 13 0.170 -13.404 -17.966 1.00 0.00 N ATOM 202 CA GLY A 13 0.549 -12.199 -18.699 1.00 0.00 C ATOM 203 C GLY A 13 -0.662 -11.320 -18.978 1.00 0.00 C ATOM 204 O GLY A 13 -1.801 -11.729 -18.770 1.00 0.00 O ATOM 0 H GLY A 13 -0.767 -13.380 -17.564 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.285 -11.637 -18.124 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.024 -12.477 -19.640 1.00 0.00 H new ATOM 208 N PHE A 14 -0.407 -10.104 -19.453 1.00 0.00 N ATOM 209 CA PHE A 14 -1.485 -9.169 -19.765 1.00 0.00 C ATOM 210 C PHE A 14 -1.959 -9.369 -21.208 1.00 0.00 C ATOM 211 O PHE A 14 -1.195 -9.815 -22.065 1.00 0.00 O ATOM 212 CB PHE A 14 -0.995 -7.730 -19.571 1.00 0.00 C ATOM 213 CG PHE A 14 0.451 -7.634 -19.973 1.00 0.00 C ATOM 214 CD1 PHE A 14 1.452 -7.901 -19.035 1.00 0.00 C ATOM 215 CD2 PHE A 14 0.790 -7.270 -21.278 1.00 0.00 C ATOM 216 CE1 PHE A 14 2.798 -7.804 -19.402 1.00 0.00 C ATOM 217 CE2 PHE A 14 2.135 -7.173 -21.650 1.00 0.00 C ATOM 218 CZ PHE A 14 3.140 -7.439 -20.711 1.00 0.00 C ATOM 0 H PHE A 14 0.531 -9.744 -19.630 1.00 0.00 H new ATOM 0 HA PHE A 14 -2.322 -9.357 -19.092 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -1.596 -7.046 -20.170 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -1.115 -7.431 -18.530 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.186 -8.182 -18.027 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.014 -7.063 -22.000 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.572 -8.010 -18.678 1.00 0.00 H new ATOM 0 HE2 PHE A 14 2.398 -6.893 -22.659 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.179 -7.363 -20.996 1.00 0.00 H new ATOM 228 N SER A 15 -3.223 -9.036 -21.466 1.00 0.00 N ATOM 229 CA SER A 15 -3.795 -9.177 -22.805 1.00 0.00 C ATOM 230 C SER A 15 -3.442 -7.983 -23.669 1.00 0.00 C ATOM 231 O SER A 15 -2.936 -6.979 -23.184 1.00 0.00 O ATOM 232 CB SER A 15 -5.314 -9.309 -22.714 1.00 0.00 C ATOM 233 OG SER A 15 -5.853 -9.489 -24.017 1.00 0.00 O ATOM 0 H SER A 15 -3.869 -8.668 -20.768 1.00 0.00 H new ATOM 0 HA SER A 15 -3.378 -10.075 -23.261 1.00 0.00 H new ATOM 0 HB2 SER A 15 -5.579 -10.155 -22.079 1.00 0.00 H new ATOM 0 HB3 SER A 15 -5.740 -8.418 -22.252 1.00 0.00 H new ATOM 0 HG SER A 15 -6.332 -8.678 -24.288 1.00 0.00 H new ATOM 239 N ARG A 16 -3.705 -8.102 -24.959 1.00 0.00 N ATOM 240 CA ARG A 16 -3.410 -7.023 -25.882 1.00 0.00 C ATOM 241 C ARG A 16 -4.300 -5.818 -25.592 1.00 0.00 C ATOM 242 O ARG A 16 -3.852 -4.672 -25.649 1.00 0.00 O ATOM 243 CB ARG A 16 -3.625 -7.496 -27.319 1.00 0.00 C ATOM 244 CG ARG A 16 -2.988 -6.493 -28.270 1.00 0.00 C ATOM 245 CD ARG A 16 -3.155 -6.972 -29.713 1.00 0.00 C ATOM 246 NE ARG A 16 -2.373 -8.182 -29.935 1.00 0.00 N ATOM 247 CZ ARG A 16 -2.385 -8.807 -31.108 1.00 0.00 C ATOM 248 NH1 ARG A 16 -3.107 -8.339 -32.091 1.00 0.00 N ATOM 249 NH2 ARG A 16 -1.677 -9.889 -31.278 1.00 0.00 N ATOM 0 H ARG A 16 -4.119 -8.930 -25.388 1.00 0.00 H new ATOM 0 HA ARG A 16 -2.369 -6.727 -25.754 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.184 -8.482 -27.461 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.690 -7.590 -27.529 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -3.452 -5.514 -28.146 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.930 -6.376 -28.036 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.207 -7.167 -29.920 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.834 -6.191 -30.403 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.805 -8.557 -29.175 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.662 -7.493 -31.959 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -3.116 -8.819 -32.991 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.114 -10.256 -30.511 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.686 -10.368 -32.178 1.00 0.00 H new ATOM 263 N GLU A 17 -5.561 -6.091 -25.284 1.00 0.00 N ATOM 264 CA GLU A 17 -6.520 -5.035 -24.982 1.00 0.00 C ATOM 265 C GLU A 17 -6.127 -4.301 -23.707 1.00 0.00 C ATOM 266 O GLU A 17 -6.632 -3.216 -23.421 1.00 0.00 O ATOM 267 CB GLU A 17 -7.920 -5.639 -24.812 1.00 0.00 C ATOM 268 CG GLU A 17 -8.492 -6.049 -26.180 1.00 0.00 C ATOM 269 CD GLU A 17 -7.932 -7.405 -26.605 1.00 0.00 C ATOM 270 OE1 GLU A 17 -7.074 -7.916 -25.904 1.00 0.00 O ATOM 271 OE2 GLU A 17 -8.364 -7.906 -27.628 1.00 0.00 O ATOM 0 H GLU A 17 -5.944 -7.035 -25.237 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.524 -4.325 -25.809 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.872 -6.507 -24.155 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.581 -4.915 -24.336 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.580 -6.098 -26.127 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.243 -5.295 -26.927 1.00 0.00 H new ATOM 278 N ILE A 18 -5.229 -4.904 -22.937 1.00 0.00 N ATOM 279 CA ILE A 18 -4.784 -4.301 -21.688 1.00 0.00 C ATOM 280 C ILE A 18 -4.553 -2.807 -21.867 1.00 0.00 C ATOM 281 O ILE A 18 -4.154 -2.356 -22.940 1.00 0.00 O ATOM 282 CB ILE A 18 -3.491 -4.969 -21.222 1.00 0.00 C ATOM 283 CG1 ILE A 18 -3.138 -4.486 -19.811 1.00 0.00 C ATOM 284 CG2 ILE A 18 -2.347 -4.610 -22.182 1.00 0.00 C ATOM 285 CD1 ILE A 18 -4.199 -4.937 -18.793 1.00 0.00 C ATOM 0 H ILE A 18 -4.798 -5.803 -23.154 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.560 -4.447 -20.937 1.00 0.00 H new ATOM 0 HB ILE A 18 -3.632 -6.050 -21.212 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.162 -4.877 -19.522 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -3.061 -3.399 -19.804 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.427 -5.088 -21.846 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.592 -4.958 -23.186 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.210 -3.529 -22.196 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.925 -4.581 -17.800 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.169 -4.524 -19.071 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.257 -6.025 -18.786 1.00 0.00 H new ATOM 297 N SER A 19 -4.816 -2.042 -20.816 1.00 0.00 N ATOM 298 CA SER A 19 -4.640 -0.599 -20.889 1.00 0.00 C ATOM 299 C SER A 19 -3.159 -0.227 -20.719 1.00 0.00 C ATOM 300 O SER A 19 -2.462 -0.834 -19.904 1.00 0.00 O ATOM 301 CB SER A 19 -5.465 0.092 -19.803 1.00 0.00 C ATOM 302 OG SER A 19 -5.102 -0.422 -18.527 1.00 0.00 O ATOM 0 H SER A 19 -5.147 -2.390 -19.916 1.00 0.00 H new ATOM 0 HA SER A 19 -4.981 -0.265 -21.869 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.296 1.168 -19.834 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.528 -0.069 -19.982 1.00 0.00 H new ATOM 0 HG SER A 19 -5.631 0.023 -17.832 1.00 0.00 H new ATOM 308 N PRO A 20 -2.663 0.755 -21.449 1.00 0.00 N ATOM 309 CA PRO A 20 -1.236 1.190 -21.326 1.00 0.00 C ATOM 310 C PRO A 20 -0.800 1.374 -19.870 1.00 0.00 C ATOM 311 O PRO A 20 0.311 1.005 -19.498 1.00 0.00 O ATOM 312 CB PRO A 20 -1.204 2.541 -22.061 1.00 0.00 C ATOM 313 CG PRO A 20 -2.323 2.487 -23.052 1.00 0.00 C ATOM 314 CD PRO A 20 -3.383 1.542 -22.473 1.00 0.00 C ATOM 0 HA PRO A 20 -0.555 0.445 -21.737 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -1.337 3.369 -21.365 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -0.247 2.694 -22.559 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -2.740 3.480 -23.218 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -1.968 2.125 -24.017 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -4.212 2.098 -22.035 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -3.803 0.897 -23.245 1.00 0.00 H new ATOM 322 N ALA A 21 -1.671 1.961 -19.059 1.00 0.00 N ATOM 323 CA ALA A 21 -1.346 2.200 -17.658 1.00 0.00 C ATOM 324 C ALA A 21 -0.868 0.922 -16.974 1.00 0.00 C ATOM 325 O ALA A 21 0.240 0.870 -16.436 1.00 0.00 O ATOM 326 CB ALA A 21 -2.580 2.737 -16.928 1.00 0.00 C ATOM 0 H ALA A 21 -2.598 2.278 -19.343 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.540 2.933 -17.617 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.335 2.915 -15.881 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.898 3.672 -17.390 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.387 2.007 -16.993 1.00 0.00 H new ATOM 332 N TYR A 22 -1.702 -0.109 -17.001 1.00 0.00 N ATOM 333 CA TYR A 22 -1.355 -1.376 -16.374 1.00 0.00 C ATOM 334 C TYR A 22 -0.118 -1.975 -17.033 1.00 0.00 C ATOM 335 O TYR A 22 0.814 -2.429 -16.362 1.00 0.00 O ATOM 336 CB TYR A 22 -2.532 -2.344 -16.489 1.00 0.00 C ATOM 337 CG TYR A 22 -2.187 -3.640 -15.803 1.00 0.00 C ATOM 338 CD1 TYR A 22 -1.484 -4.625 -16.498 1.00 0.00 C ATOM 339 CD2 TYR A 22 -2.569 -3.855 -14.472 1.00 0.00 C ATOM 340 CE1 TYR A 22 -1.161 -5.829 -15.869 1.00 0.00 C ATOM 341 CE2 TYR A 22 -2.246 -5.061 -13.842 1.00 0.00 C ATOM 342 CZ TYR A 22 -1.542 -6.049 -14.539 1.00 0.00 C ATOM 343 OH TYR A 22 -1.222 -7.237 -13.916 1.00 0.00 O ATOM 0 H TYR A 22 -2.619 -0.093 -17.448 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.134 -1.201 -15.321 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.422 -1.906 -16.036 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.765 -2.527 -17.538 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.190 -4.456 -17.523 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.111 -3.091 -13.934 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.617 -6.591 -16.408 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -2.540 -5.230 -12.817 1.00 0.00 H new ATOM 0 HH TYR A 22 -1.559 -7.225 -12.996 1.00 0.00 H new ATOM 353 N ARG A 23 -0.111 -1.973 -18.353 1.00 0.00 N ATOM 354 CA ARG A 23 1.015 -2.519 -19.085 1.00 0.00 C ATOM 355 C ARG A 23 2.303 -1.804 -18.678 1.00 0.00 C ATOM 356 O ARG A 23 3.341 -2.437 -18.456 1.00 0.00 O ATOM 357 CB ARG A 23 0.778 -2.357 -20.585 1.00 0.00 C ATOM 358 CG ARG A 23 1.783 -3.216 -21.353 1.00 0.00 C ATOM 359 CD ARG A 23 1.564 -3.050 -22.859 1.00 0.00 C ATOM 360 NE ARG A 23 1.879 -1.686 -23.268 1.00 0.00 N ATOM 361 CZ ARG A 23 1.695 -1.285 -24.522 1.00 0.00 C ATOM 362 NH1 ARG A 23 1.233 -2.120 -25.414 1.00 0.00 N ATOM 363 NH2 ARG A 23 1.979 -0.058 -24.863 1.00 0.00 N ATOM 0 H ARG A 23 -0.863 -1.604 -18.934 1.00 0.00 H new ATOM 0 HA ARG A 23 1.114 -3.579 -18.850 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.240 -2.655 -20.838 1.00 0.00 H new ATOM 0 HB3 ARG A 23 0.884 -1.310 -20.870 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.800 -2.925 -21.090 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.669 -4.263 -21.073 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.191 -3.755 -23.405 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.529 -3.283 -23.111 1.00 0.00 H new ATOM 0 HE ARG A 23 2.247 -1.029 -22.580 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.013 -3.080 -25.148 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.092 -1.812 -26.376 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.342 0.594 -24.167 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.838 0.250 -25.825 1.00 0.00 H new ATOM 377 N GLN A 24 2.226 -0.480 -18.571 1.00 0.00 N ATOM 378 CA GLN A 24 3.387 0.313 -18.184 1.00 0.00 C ATOM 379 C GLN A 24 3.873 -0.109 -16.802 1.00 0.00 C ATOM 380 O GLN A 24 5.077 -0.161 -16.551 1.00 0.00 O ATOM 381 CB GLN A 24 3.032 1.809 -18.189 1.00 0.00 C ATOM 382 CG GLN A 24 4.299 2.656 -18.367 1.00 0.00 C ATOM 383 CD GLN A 24 5.186 2.529 -17.136 1.00 0.00 C ATOM 384 OE1 GLN A 24 4.770 2.881 -16.032 1.00 0.00 O ATOM 385 NE2 GLN A 24 6.391 2.045 -17.260 1.00 0.00 N ATOM 0 H GLN A 24 1.379 0.062 -18.745 1.00 0.00 H new ATOM 0 HA GLN A 24 4.187 0.141 -18.904 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.329 2.020 -18.995 1.00 0.00 H new ATOM 0 HB3 GLN A 24 2.536 2.075 -17.255 1.00 0.00 H new ATOM 0 HG2 GLN A 24 4.843 2.330 -19.253 1.00 0.00 H new ATOM 0 HG3 GLN A 24 4.029 3.700 -18.525 1.00 0.00 H new ATOM 0 HE21 GLN A 24 6.732 1.754 -18.176 1.00 0.00 H new ATOM 0 HE22 GLN A 24 6.992 1.957 -16.441 1.00 0.00 H new ATOM 394 N LYS A 25 2.935 -0.416 -15.909 1.00 0.00 N ATOM 395 CA LYS A 25 3.309 -0.839 -14.565 1.00 0.00 C ATOM 396 C LYS A 25 4.145 -2.109 -14.628 1.00 0.00 C ATOM 397 O LYS A 25 5.140 -2.241 -13.914 1.00 0.00 O ATOM 398 CB LYS A 25 2.068 -1.085 -13.708 1.00 0.00 C ATOM 399 CG LYS A 25 1.396 0.247 -13.394 1.00 0.00 C ATOM 400 CD LYS A 25 0.126 0.000 -12.581 1.00 0.00 C ATOM 401 CE LYS A 25 -0.547 1.335 -12.274 1.00 0.00 C ATOM 402 NZ LYS A 25 -1.802 1.092 -11.511 1.00 0.00 N ATOM 0 H LYS A 25 1.931 -0.381 -16.087 1.00 0.00 H new ATOM 0 HA LYS A 25 3.896 -0.041 -14.110 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.373 -1.740 -14.234 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.346 -1.591 -12.784 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.079 0.888 -12.836 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.152 0.770 -14.319 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.555 -0.644 -13.137 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.370 -0.519 -11.654 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.125 1.970 -11.697 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.768 1.865 -13.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.262 2.001 -11.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.444 0.502 -12.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.578 0.603 -10.621 1.00 0.00 H new ATOM 416 N LEU A 26 3.747 -3.043 -15.489 1.00 0.00 N ATOM 417 CA LEU A 26 4.500 -4.290 -15.622 1.00 0.00 C ATOM 418 C LEU A 26 5.916 -4.003 -16.118 1.00 0.00 C ATOM 419 O LEU A 26 6.883 -4.589 -15.634 1.00 0.00 O ATOM 420 CB LEU A 26 3.781 -5.256 -16.590 1.00 0.00 C ATOM 421 CG LEU A 26 2.781 -6.149 -15.833 1.00 0.00 C ATOM 422 CD1 LEU A 26 3.521 -7.066 -14.832 1.00 0.00 C ATOM 423 CD2 LEU A 26 1.756 -5.276 -15.100 1.00 0.00 C ATOM 0 H LEU A 26 2.928 -2.966 -16.092 1.00 0.00 H new ATOM 0 HA LEU A 26 4.561 -4.763 -14.642 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.257 -4.686 -17.357 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.515 -5.878 -17.101 1.00 0.00 H new ATOM 0 HG LEU A 26 2.260 -6.780 -16.552 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.798 -7.690 -14.307 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.224 -7.701 -15.371 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.064 -6.455 -14.111 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.051 -5.913 -14.566 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.271 -4.629 -14.389 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.216 -4.664 -15.823 1.00 0.00 H new ATOM 435 N LEU A 27 6.035 -3.106 -17.082 1.00 0.00 N ATOM 436 CA LEU A 27 7.348 -2.759 -17.608 1.00 0.00 C ATOM 437 C LEU A 27 8.114 -1.890 -16.606 1.00 0.00 C ATOM 438 O LEU A 27 9.342 -1.913 -16.564 1.00 0.00 O ATOM 439 CB LEU A 27 7.193 -2.027 -18.947 1.00 0.00 C ATOM 440 CG LEU A 27 7.133 -3.048 -20.089 1.00 0.00 C ATOM 441 CD1 LEU A 27 5.962 -4.008 -19.865 1.00 0.00 C ATOM 442 CD2 LEU A 27 6.945 -2.307 -21.410 1.00 0.00 C ATOM 0 H LEU A 27 5.254 -2.611 -17.512 1.00 0.00 H new ATOM 0 HA LEU A 27 7.918 -3.674 -17.770 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.286 -1.422 -18.939 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.030 -1.345 -19.099 1.00 0.00 H new ATOM 0 HG LEU A 27 8.060 -3.621 -20.117 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.924 -4.732 -20.679 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.098 -4.533 -18.919 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.030 -3.444 -19.837 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.901 -3.026 -22.228 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.017 -1.737 -21.378 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.783 -1.628 -21.569 1.00 0.00 H new ATOM 454 N SER A 28 7.378 -1.114 -15.818 1.00 0.00 N ATOM 455 CA SER A 28 8.006 -0.223 -14.843 1.00 0.00 C ATOM 456 C SER A 28 8.870 -0.999 -13.857 1.00 0.00 C ATOM 457 O SER A 28 9.994 -0.598 -13.552 1.00 0.00 O ATOM 458 CB SER A 28 6.926 0.533 -14.071 1.00 0.00 C ATOM 459 OG SER A 28 6.143 1.291 -14.981 1.00 0.00 O ATOM 0 H SER A 28 6.359 -1.082 -15.832 1.00 0.00 H new ATOM 0 HA SER A 28 8.643 0.475 -15.387 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.294 -0.168 -13.526 1.00 0.00 H new ATOM 0 HB3 SER A 28 7.384 1.190 -13.332 1.00 0.00 H new ATOM 0 HG SER A 28 5.519 0.697 -15.449 1.00 0.00 H new ATOM 465 N LEU A 29 8.337 -2.111 -13.359 1.00 0.00 N ATOM 466 CA LEU A 29 9.053 -2.951 -12.396 1.00 0.00 C ATOM 467 C LEU A 29 9.334 -4.326 -12.999 1.00 0.00 C ATOM 468 O LEU A 29 8.831 -4.659 -14.072 1.00 0.00 O ATOM 469 CB LEU A 29 8.217 -3.100 -11.110 1.00 0.00 C ATOM 470 CG LEU A 29 6.722 -3.115 -11.453 1.00 0.00 C ATOM 471 CD1 LEU A 29 6.425 -4.249 -12.442 1.00 0.00 C ATOM 472 CD2 LEU A 29 5.914 -3.329 -10.168 1.00 0.00 C ATOM 0 H LEU A 29 7.409 -2.455 -13.606 1.00 0.00 H new ATOM 0 HA LEU A 29 10.003 -2.476 -12.152 1.00 0.00 H new ATOM 0 HB2 LEU A 29 8.489 -4.021 -10.595 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.434 -2.277 -10.429 1.00 0.00 H new ATOM 0 HG LEU A 29 6.444 -2.165 -11.909 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.362 -4.254 -12.681 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.002 -4.096 -13.354 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.701 -5.204 -11.994 1.00 0.00 H new ATOM 0 HD21 LEU A 29 4.850 -3.341 -10.405 1.00 0.00 H new ATOM 0 HD22 LEU A 29 6.195 -4.280 -9.715 1.00 0.00 H new ATOM 0 HD23 LEU A 29 6.121 -2.519 -9.469 1.00 0.00 H new ATOM 484 N GLY A 30 10.140 -5.117 -12.296 1.00 0.00 N ATOM 485 CA GLY A 30 10.488 -6.456 -12.757 1.00 0.00 C ATOM 486 C GLY A 30 9.451 -7.476 -12.294 1.00 0.00 C ATOM 487 O GLY A 30 9.536 -8.657 -12.630 1.00 0.00 O ATOM 0 H GLY A 30 10.563 -4.854 -11.406 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.553 -6.465 -13.845 1.00 0.00 H new ATOM 0 HA3 GLY A 30 11.471 -6.732 -12.376 1.00 0.00 H new ATOM 491 N MET A 31 8.473 -7.012 -11.518 1.00 0.00 N ATOM 492 CA MET A 31 7.427 -7.900 -11.015 1.00 0.00 C ATOM 493 C MET A 31 6.562 -8.390 -12.162 1.00 0.00 C ATOM 494 O MET A 31 5.426 -7.946 -12.331 1.00 0.00 O ATOM 495 CB MET A 31 6.545 -7.162 -10.005 1.00 0.00 C ATOM 496 CG MET A 31 7.416 -6.589 -8.890 1.00 0.00 C ATOM 497 SD MET A 31 8.187 -7.947 -7.977 1.00 0.00 S ATOM 498 CE MET A 31 8.975 -6.937 -6.702 1.00 0.00 C ATOM 0 H MET A 31 8.383 -6.039 -11.227 1.00 0.00 H new ATOM 0 HA MET A 31 7.904 -8.750 -10.527 1.00 0.00 H new ATOM 0 HB2 MET A 31 5.998 -6.361 -10.502 1.00 0.00 H new ATOM 0 HB3 MET A 31 5.804 -7.843 -9.588 1.00 0.00 H new ATOM 0 HG2 MET A 31 8.182 -5.937 -9.310 1.00 0.00 H new ATOM 0 HG3 MET A 31 6.812 -5.980 -8.217 1.00 0.00 H new ATOM 0 HE1 MET A 31 9.520 -7.582 -6.012 1.00 0.00 H new ATOM 0 HE2 MET A 31 9.668 -6.237 -7.169 1.00 0.00 H new ATOM 0 HE3 MET A 31 8.213 -6.382 -6.155 1.00 0.00 H new ATOM 508 N LEU A 32 7.110 -9.297 -12.964 1.00 0.00 N ATOM 509 CA LEU A 32 6.382 -9.828 -14.112 1.00 0.00 C ATOM 510 C LEU A 32 5.767 -11.189 -13.772 1.00 0.00 C ATOM 511 O LEU A 32 6.071 -11.765 -12.730 1.00 0.00 O ATOM 512 CB LEU A 32 7.358 -9.941 -15.315 1.00 0.00 C ATOM 513 CG LEU A 32 7.003 -8.899 -16.395 1.00 0.00 C ATOM 514 CD1 LEU A 32 7.480 -7.527 -15.929 1.00 0.00 C ATOM 515 CD2 LEU A 32 7.685 -9.264 -17.715 1.00 0.00 C ATOM 0 H LEU A 32 8.048 -9.678 -12.842 1.00 0.00 H new ATOM 0 HA LEU A 32 5.565 -9.156 -14.375 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.383 -9.788 -14.976 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.309 -10.944 -15.738 1.00 0.00 H new ATOM 0 HG LEU A 32 5.924 -8.883 -16.551 1.00 0.00 H new ATOM 0 HD11 LEU A 32 7.235 -6.781 -16.685 1.00 0.00 H new ATOM 0 HD12 LEU A 32 6.987 -7.270 -14.991 1.00 0.00 H new ATOM 0 HD13 LEU A 32 8.559 -7.549 -15.778 1.00 0.00 H new ATOM 0 HD21 LEU A 32 7.430 -8.524 -18.473 1.00 0.00 H new ATOM 0 HD22 LEU A 32 8.766 -9.281 -17.574 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.346 -10.248 -18.040 1.00 0.00 H new ATOM 527 N PRO A 33 4.912 -11.707 -14.626 1.00 0.00 N ATOM 528 CA PRO A 33 4.258 -13.027 -14.398 1.00 0.00 C ATOM 529 C PRO A 33 5.256 -14.112 -14.007 1.00 0.00 C ATOM 530 O PRO A 33 6.419 -13.832 -13.721 1.00 0.00 O ATOM 531 CB PRO A 33 3.607 -13.352 -15.749 1.00 0.00 C ATOM 532 CG PRO A 33 3.359 -12.029 -16.388 1.00 0.00 C ATOM 533 CD PRO A 33 4.463 -11.092 -15.892 1.00 0.00 C ATOM 0 HA PRO A 33 3.547 -12.987 -13.572 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.261 -13.970 -16.364 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.678 -13.906 -15.616 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.381 -12.113 -17.475 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.375 -11.646 -16.118 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.278 -11.020 -16.612 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.087 -10.081 -15.733 1.00 0.00 H new ATOM 541 N GLY A 34 4.789 -15.356 -14.009 1.00 0.00 N ATOM 542 CA GLY A 34 5.639 -16.490 -13.659 1.00 0.00 C ATOM 543 C GLY A 34 5.426 -16.892 -12.203 1.00 0.00 C ATOM 544 O GLY A 34 6.138 -17.745 -11.674 1.00 0.00 O ATOM 0 H GLY A 34 3.829 -15.605 -14.248 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.415 -17.334 -14.311 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.685 -16.231 -13.821 1.00 0.00 H new ATOM 548 N SER A 35 4.435 -16.270 -11.562 1.00 0.00 N ATOM 549 CA SER A 35 4.120 -16.564 -10.163 1.00 0.00 C ATOM 550 C SER A 35 2.610 -16.601 -9.955 1.00 0.00 C ATOM 551 O SER A 35 1.849 -16.833 -10.895 1.00 0.00 O ATOM 552 CB SER A 35 4.734 -15.500 -9.253 1.00 0.00 C ATOM 553 OG SER A 35 6.097 -15.310 -9.608 1.00 0.00 O ATOM 0 H SER A 35 3.838 -15.561 -11.988 1.00 0.00 H new ATOM 0 HA SER A 35 4.538 -17.539 -9.913 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.187 -14.562 -9.350 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.657 -15.808 -8.210 1.00 0.00 H new ATOM 0 HG SER A 35 6.494 -14.627 -9.028 1.00 0.00 H new ATOM 559 N SER A 36 2.184 -16.377 -8.714 1.00 0.00 N ATOM 560 CA SER A 36 0.763 -16.390 -8.382 1.00 0.00 C ATOM 561 C SER A 36 0.475 -15.425 -7.243 1.00 0.00 C ATOM 562 O SER A 36 1.350 -15.135 -6.425 1.00 0.00 O ATOM 563 CB SER A 36 0.335 -17.802 -7.978 1.00 0.00 C ATOM 564 OG SER A 36 -1.066 -17.818 -7.737 1.00 0.00 O ATOM 0 H SER A 36 2.801 -16.185 -7.925 1.00 0.00 H new ATOM 0 HA SER A 36 0.199 -16.078 -9.261 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.588 -18.511 -8.767 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.873 -18.115 -7.083 1.00 0.00 H new ATOM 0 HG SER A 36 -1.458 -16.968 -8.028 1.00 0.00 H new ATOM 570 N PHE A 37 -0.759 -14.927 -7.196 1.00 0.00 N ATOM 571 CA PHE A 37 -1.168 -13.985 -6.155 1.00 0.00 C ATOM 572 C PHE A 37 -2.457 -14.456 -5.493 1.00 0.00 C ATOM 573 O PHE A 37 -3.240 -15.204 -6.091 1.00 0.00 O ATOM 574 CB PHE A 37 -1.383 -12.595 -6.762 1.00 0.00 C ATOM 575 CG PHE A 37 -2.598 -12.610 -7.661 1.00 0.00 C ATOM 576 CD1 PHE A 37 -2.480 -13.000 -8.999 1.00 0.00 C ATOM 577 CD2 PHE A 37 -3.842 -12.232 -7.149 1.00 0.00 C ATOM 578 CE1 PHE A 37 -3.609 -13.013 -9.827 1.00 0.00 C ATOM 579 CE2 PHE A 37 -4.972 -12.245 -7.976 1.00 0.00 C ATOM 580 CZ PHE A 37 -4.856 -12.635 -9.314 1.00 0.00 C ATOM 0 H PHE A 37 -1.493 -15.159 -7.866 1.00 0.00 H new ATOM 0 HA PHE A 37 -0.380 -13.934 -5.404 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.515 -11.859 -5.969 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.502 -12.297 -7.331 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.518 -13.291 -9.394 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -3.932 -11.930 -6.116 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.518 -13.314 -10.860 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -5.934 -11.954 -7.580 1.00 0.00 H new ATOM 0 HZ PHE A 37 -5.728 -12.645 -9.951 1.00 0.00 H new ATOM 590 N ASN A 38 -2.668 -14.016 -4.254 1.00 0.00 N ATOM 591 CA ASN A 38 -3.862 -14.389 -3.498 1.00 0.00 C ATOM 592 C ASN A 38 -4.827 -13.213 -3.409 1.00 0.00 C ATOM 593 O ASN A 38 -4.414 -12.050 -3.299 1.00 0.00 O ATOM 594 CB ASN A 38 -3.465 -14.836 -2.090 1.00 0.00 C ATOM 595 CG ASN A 38 -2.615 -16.102 -2.163 1.00 0.00 C ATOM 596 OD1 ASN A 38 -1.837 -16.379 -1.250 1.00 0.00 O ATOM 597 ND2 ASN A 38 -2.712 -16.889 -3.201 1.00 0.00 N ATOM 0 H ASN A 38 -2.028 -13.401 -3.752 1.00 0.00 H new ATOM 0 HA ASN A 38 -4.358 -15.211 -4.014 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -2.908 -14.043 -1.591 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -4.358 -15.022 -1.493 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -2.143 -17.734 -3.255 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -3.357 -16.659 -3.957 1.00 0.00 H new ATOM 604 N VAL A 39 -6.118 -13.525 -3.461 1.00 0.00 N ATOM 605 CA VAL A 39 -7.149 -12.498 -3.391 1.00 0.00 C ATOM 606 C VAL A 39 -7.517 -12.217 -1.939 1.00 0.00 C ATOM 607 O VAL A 39 -7.922 -13.118 -1.206 1.00 0.00 O ATOM 608 CB VAL A 39 -8.400 -12.953 -4.148 1.00 0.00 C ATOM 609 CG1 VAL A 39 -9.364 -11.776 -4.295 1.00 0.00 C ATOM 610 CG2 VAL A 39 -8.011 -13.465 -5.537 1.00 0.00 C ATOM 0 H VAL A 39 -6.473 -14.477 -3.551 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.759 -11.588 -3.848 1.00 0.00 H new ATOM 0 HB VAL A 39 -8.882 -13.756 -3.590 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -10.254 -12.100 -4.834 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -9.649 -11.414 -3.307 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.877 -10.974 -4.849 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -8.906 -13.787 -6.070 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.524 -12.666 -6.096 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.326 -14.307 -5.436 1.00 0.00 H new ATOM 620 N VAL A 40 -7.380 -10.962 -1.536 1.00 0.00 N ATOM 621 CA VAL A 40 -7.709 -10.568 -0.173 1.00 0.00 C ATOM 622 C VAL A 40 -9.216 -10.662 0.073 1.00 0.00 C ATOM 623 O VAL A 40 -9.653 -11.079 1.146 1.00 0.00 O ATOM 624 CB VAL A 40 -7.202 -9.139 0.093 1.00 0.00 C ATOM 625 CG1 VAL A 40 -7.589 -8.214 -1.069 1.00 0.00 C ATOM 626 CG2 VAL A 40 -7.811 -8.605 1.399 1.00 0.00 C ATOM 0 H VAL A 40 -7.045 -10.203 -2.129 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.216 -11.252 0.518 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.116 -9.163 0.182 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -7.225 -7.206 -0.869 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.144 -8.584 -1.992 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -8.674 -8.194 -1.172 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -7.449 -7.593 1.582 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -8.898 -8.592 1.315 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -7.519 -9.251 2.227 1.00 0.00 H new ATOM 636 N ARG A 41 -9.998 -10.258 -0.921 1.00 0.00 N ATOM 637 CA ARG A 41 -11.449 -10.281 -0.806 1.00 0.00 C ATOM 638 C ARG A 41 -12.085 -9.891 -2.130 1.00 0.00 C ATOM 639 O ARG A 41 -11.448 -9.256 -2.970 1.00 0.00 O ATOM 640 CB ARG A 41 -11.897 -9.300 0.287 1.00 0.00 C ATOM 641 CG ARG A 41 -11.554 -7.863 -0.126 1.00 0.00 C ATOM 642 CD ARG A 41 -11.887 -6.911 1.023 1.00 0.00 C ATOM 643 NE ARG A 41 -11.616 -5.532 0.628 1.00 0.00 N ATOM 644 CZ ARG A 41 -10.402 -5.002 0.753 1.00 0.00 C ATOM 645 NH1 ARG A 41 -9.423 -5.719 1.237 1.00 0.00 N ATOM 646 NH2 ARG A 41 -10.189 -3.767 0.390 1.00 0.00 N ATOM 0 H ARG A 41 -9.651 -9.911 -1.815 1.00 0.00 H new ATOM 0 HA ARG A 41 -11.766 -11.290 -0.542 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -12.970 -9.393 0.453 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.406 -9.543 1.229 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -10.497 -7.788 -0.380 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -12.116 -7.585 -1.018 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -12.935 -7.018 1.302 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -11.296 -7.168 1.902 1.00 0.00 H new ATOM 0 HE ARG A 41 -12.373 -4.963 0.248 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -9.589 -6.685 1.519 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -8.492 -5.313 1.333 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -10.953 -3.208 0.010 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.258 -3.361 0.486 1.00 0.00 H new ATOM 660 N VAL A 42 -13.351 -10.257 -2.308 1.00 0.00 N ATOM 661 CA VAL A 42 -14.078 -9.922 -3.532 1.00 0.00 C ATOM 662 C VAL A 42 -15.456 -9.380 -3.184 1.00 0.00 C ATOM 663 O VAL A 42 -16.230 -10.041 -2.493 1.00 0.00 O ATOM 664 CB VAL A 42 -14.210 -11.164 -4.412 1.00 0.00 C ATOM 665 CG1 VAL A 42 -12.814 -11.632 -4.818 1.00 0.00 C ATOM 666 CG2 VAL A 42 -14.919 -12.281 -3.632 1.00 0.00 C ATOM 0 H VAL A 42 -13.895 -10.784 -1.624 1.00 0.00 H new ATOM 0 HA VAL A 42 -13.526 -9.157 -4.078 1.00 0.00 H new ATOM 0 HB VAL A 42 -14.795 -10.924 -5.300 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -12.896 -12.519 -5.447 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -12.311 -10.839 -5.372 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -12.237 -11.873 -3.925 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -15.011 -13.164 -4.264 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -14.339 -12.529 -2.743 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -15.912 -11.943 -3.334 1.00 0.00 H new ATOM 676 N ALA A 43 -15.765 -8.174 -3.659 1.00 0.00 N ATOM 677 CA ALA A 43 -17.066 -7.566 -3.380 1.00 0.00 C ATOM 678 C ALA A 43 -18.056 -7.850 -4.525 1.00 0.00 C ATOM 679 O ALA A 43 -17.891 -7.316 -5.623 1.00 0.00 O ATOM 680 CB ALA A 43 -16.905 -6.055 -3.207 1.00 0.00 C ATOM 0 H ALA A 43 -15.142 -7.605 -4.231 1.00 0.00 H new ATOM 0 HA ALA A 43 -17.460 -8.000 -2.461 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -17.877 -5.607 -2.999 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -16.228 -5.854 -2.377 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -16.495 -5.626 -4.121 1.00 0.00 H new ATOM 686 N PRO A 44 -19.072 -8.667 -4.315 1.00 0.00 N ATOM 687 CA PRO A 44 -20.079 -8.984 -5.373 1.00 0.00 C ATOM 688 C PRO A 44 -21.076 -7.845 -5.580 1.00 0.00 C ATOM 689 O PRO A 44 -21.865 -7.859 -6.526 1.00 0.00 O ATOM 690 CB PRO A 44 -20.771 -10.256 -4.860 1.00 0.00 C ATOM 691 CG PRO A 44 -20.656 -10.191 -3.370 1.00 0.00 C ATOM 692 CD PRO A 44 -19.390 -9.373 -3.053 1.00 0.00 C ATOM 0 HA PRO A 44 -19.616 -9.124 -6.350 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -21.814 -10.290 -5.173 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -20.290 -11.152 -5.253 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -21.538 -9.721 -2.935 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -20.585 -11.192 -2.944 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -19.567 -8.669 -2.239 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -18.569 -10.019 -2.743 1.00 0.00 H new ATOM 700 N LEU A 45 -21.065 -6.882 -4.665 1.00 0.00 N ATOM 701 CA LEU A 45 -22.006 -5.769 -4.740 1.00 0.00 C ATOM 702 C LEU A 45 -21.814 -4.987 -6.041 1.00 0.00 C ATOM 703 O LEU A 45 -22.774 -4.471 -6.610 1.00 0.00 O ATOM 704 CB LEU A 45 -21.790 -4.842 -3.525 1.00 0.00 C ATOM 705 CG LEU A 45 -23.120 -4.202 -3.093 1.00 0.00 C ATOM 706 CD1 LEU A 45 -22.872 -3.257 -1.912 1.00 0.00 C ATOM 707 CD2 LEU A 45 -23.740 -3.424 -4.264 1.00 0.00 C ATOM 0 H LEU A 45 -20.424 -6.848 -3.872 1.00 0.00 H new ATOM 0 HA LEU A 45 -23.024 -6.159 -4.727 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -21.367 -5.411 -2.697 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -21.070 -4.064 -3.777 1.00 0.00 H new ATOM 0 HG LEU A 45 -23.812 -4.987 -2.790 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -23.814 -2.803 -1.605 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -22.452 -3.819 -1.078 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -22.173 -2.476 -2.212 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -24.681 -2.976 -3.945 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -23.054 -2.639 -4.583 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -23.925 -4.104 -5.095 1.00 0.00 H new ATOM 719 N GLY A 46 -20.575 -4.916 -6.517 1.00 0.00 N ATOM 720 CA GLY A 46 -20.280 -4.202 -7.759 1.00 0.00 C ATOM 721 C GLY A 46 -19.002 -3.388 -7.620 1.00 0.00 C ATOM 722 O GLY A 46 -18.776 -2.438 -8.367 1.00 0.00 O ATOM 0 H GLY A 46 -19.763 -5.340 -6.067 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -20.177 -4.914 -8.578 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -21.111 -3.544 -8.012 1.00 0.00 H new ATOM 726 N ASP A 47 -18.165 -3.761 -6.653 1.00 0.00 N ATOM 727 CA ASP A 47 -16.909 -3.049 -6.425 1.00 0.00 C ATOM 728 C ASP A 47 -15.761 -3.785 -7.125 1.00 0.00 C ATOM 729 O ASP A 47 -15.876 -4.968 -7.447 1.00 0.00 O ATOM 730 CB ASP A 47 -16.642 -2.943 -4.900 1.00 0.00 C ATOM 731 CG ASP A 47 -16.912 -1.523 -4.394 1.00 0.00 C ATOM 732 OD1 ASP A 47 -17.915 -0.953 -4.793 1.00 0.00 O ATOM 733 OD2 ASP A 47 -16.115 -1.033 -3.612 1.00 0.00 O ATOM 0 H ASP A 47 -18.331 -4.544 -6.021 1.00 0.00 H new ATOM 0 HA ASP A 47 -16.978 -2.043 -6.839 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -17.277 -3.650 -4.366 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -15.609 -3.218 -4.688 1.00 0.00 H new ATOM 738 N PRO A 48 -14.670 -3.106 -7.363 1.00 0.00 N ATOM 739 CA PRO A 48 -13.477 -3.699 -8.038 1.00 0.00 C ATOM 740 C PRO A 48 -12.923 -4.894 -7.265 1.00 0.00 C ATOM 741 O PRO A 48 -13.310 -5.144 -6.126 1.00 0.00 O ATOM 742 CB PRO A 48 -12.460 -2.545 -8.081 1.00 0.00 C ATOM 743 CG PRO A 48 -12.930 -1.570 -7.046 1.00 0.00 C ATOM 744 CD PRO A 48 -14.448 -1.693 -7.023 1.00 0.00 C ATOM 0 HA PRO A 48 -13.716 -4.087 -9.028 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -11.453 -2.899 -7.860 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -12.427 -2.086 -9.069 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -12.504 -1.800 -6.069 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.623 -0.555 -7.297 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -14.858 -1.444 -6.044 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -14.918 -1.025 -7.745 1.00 0.00 H new ATOM 752 N ILE A 49 -12.022 -5.637 -7.905 1.00 0.00 N ATOM 753 CA ILE A 49 -11.429 -6.808 -7.281 1.00 0.00 C ATOM 754 C ILE A 49 -10.174 -6.409 -6.520 1.00 0.00 C ATOM 755 O ILE A 49 -9.219 -5.892 -7.101 1.00 0.00 O ATOM 756 CB ILE A 49 -11.070 -7.833 -8.359 1.00 0.00 C ATOM 757 CG1 ILE A 49 -12.158 -7.821 -9.436 1.00 0.00 C ATOM 758 CG2 ILE A 49 -10.964 -9.233 -7.739 1.00 0.00 C ATOM 759 CD1 ILE A 49 -13.537 -8.049 -8.807 1.00 0.00 C ATOM 0 H ILE A 49 -11.691 -5.447 -8.851 1.00 0.00 H new ATOM 0 HA ILE A 49 -12.145 -7.245 -6.585 1.00 0.00 H new ATOM 0 HB ILE A 49 -10.109 -7.576 -8.803 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -12.145 -6.867 -9.964 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -11.956 -8.597 -10.175 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -10.708 -9.956 -8.514 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -10.189 -9.234 -6.972 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -11.919 -9.505 -7.290 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -14.299 -8.037 -9.586 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -13.551 -9.014 -8.300 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -13.743 -7.258 -8.086 1.00 0.00 H new ATOM 771 N HIS A 50 -10.186 -6.656 -5.219 1.00 0.00 N ATOM 772 CA HIS A 50 -9.047 -6.326 -4.372 1.00 0.00 C ATOM 773 C HIS A 50 -8.159 -7.545 -4.203 1.00 0.00 C ATOM 774 O HIS A 50 -8.612 -8.594 -3.743 1.00 0.00 O ATOM 775 CB HIS A 50 -9.534 -5.857 -2.998 1.00 0.00 C ATOM 776 CG HIS A 50 -10.257 -4.545 -3.140 1.00 0.00 C ATOM 777 ND1 HIS A 50 -10.212 -3.568 -2.158 1.00 0.00 N ATOM 778 CD2 HIS A 50 -11.042 -4.031 -4.143 1.00 0.00 C ATOM 779 CE1 HIS A 50 -10.945 -2.525 -2.588 1.00 0.00 C ATOM 780 NE2 HIS A 50 -11.473 -2.756 -3.793 1.00 0.00 N ATOM 0 H HIS A 50 -10.970 -7.083 -4.726 1.00 0.00 H new ATOM 0 HA HIS A 50 -8.478 -5.526 -4.845 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -10.197 -6.604 -2.562 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -8.688 -5.746 -2.319 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -11.287 -4.540 -5.064 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -11.089 -1.613 -2.028 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -12.066 -2.131 -4.340 1.00 0.00 H new ATOM 788 N ILE A 51 -6.892 -7.401 -4.579 1.00 0.00 N ATOM 789 CA ILE A 51 -5.928 -8.495 -4.467 1.00 0.00 C ATOM 790 C ILE A 51 -4.708 -8.044 -3.678 1.00 0.00 C ATOM 791 O ILE A 51 -4.329 -6.871 -3.725 1.00 0.00 O ATOM 792 CB ILE A 51 -5.502 -8.968 -5.864 1.00 0.00 C ATOM 793 CG1 ILE A 51 -4.896 -7.804 -6.661 1.00 0.00 C ATOM 794 CG2 ILE A 51 -6.726 -9.492 -6.612 1.00 0.00 C ATOM 795 CD1 ILE A 51 -4.227 -8.346 -7.928 1.00 0.00 C ATOM 0 H ILE A 51 -6.507 -6.538 -4.964 1.00 0.00 H new ATOM 0 HA ILE A 51 -6.401 -9.324 -3.940 1.00 0.00 H new ATOM 0 HB ILE A 51 -4.756 -9.756 -5.756 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.673 -7.087 -6.926 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.166 -7.272 -6.051 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.429 -9.829 -7.605 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.160 -10.326 -6.060 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.464 -8.695 -6.705 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.797 -7.520 -8.494 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.439 -9.046 -7.652 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.969 -8.858 -8.541 1.00 0.00 H new ATOM 807 N GLU A 52 -4.087 -8.981 -2.960 1.00 0.00 N ATOM 808 CA GLU A 52 -2.896 -8.668 -2.168 1.00 0.00 C ATOM 809 C GLU A 52 -1.794 -9.673 -2.449 1.00 0.00 C ATOM 810 O GLU A 52 -2.030 -10.882 -2.447 1.00 0.00 O ATOM 811 CB GLU A 52 -3.234 -8.672 -0.675 1.00 0.00 C ATOM 812 CG GLU A 52 -4.072 -7.438 -0.334 1.00 0.00 C ATOM 813 CD GLU A 52 -4.428 -7.445 1.147 1.00 0.00 C ATOM 814 OE1 GLU A 52 -3.985 -8.347 1.839 1.00 0.00 O ATOM 815 OE2 GLU A 52 -5.140 -6.548 1.570 1.00 0.00 O ATOM 0 H GLU A 52 -4.385 -9.955 -2.910 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.548 -7.674 -2.450 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.782 -9.578 -0.419 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.318 -8.676 -0.085 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.517 -6.532 -0.579 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.981 -7.428 -0.935 1.00 0.00 H new ATOM 822 N THR A 53 -0.583 -9.168 -2.692 1.00 0.00 N ATOM 823 CA THR A 53 0.560 -10.034 -2.976 1.00 0.00 C ATOM 824 C THR A 53 1.670 -9.765 -1.972 1.00 0.00 C ATOM 825 O THR A 53 1.967 -8.611 -1.650 1.00 0.00 O ATOM 826 CB THR A 53 1.065 -9.765 -4.400 1.00 0.00 C ATOM 827 OG1 THR A 53 2.010 -8.703 -4.367 1.00 0.00 O ATOM 828 CG2 THR A 53 -0.110 -9.368 -5.310 1.00 0.00 C ATOM 0 H THR A 53 -0.370 -8.170 -2.698 1.00 0.00 H new ATOM 0 HA THR A 53 0.254 -11.077 -2.895 1.00 0.00 H new ATOM 0 HB THR A 53 1.532 -10.669 -4.792 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.337 -8.528 -5.274 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.258 -9.179 -6.318 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.840 -10.177 -5.336 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.582 -8.466 -4.921 1.00 0.00 H new ATOM 836 N ARG A 54 2.284 -10.839 -1.483 1.00 0.00 N ATOM 837 CA ARG A 54 3.362 -10.724 -0.509 1.00 0.00 C ATOM 838 C ARG A 54 4.294 -9.575 -0.865 1.00 0.00 C ATOM 839 O ARG A 54 5.017 -9.058 -0.013 1.00 0.00 O ATOM 840 CB ARG A 54 4.149 -12.038 -0.454 1.00 0.00 C ATOM 841 CG ARG A 54 4.836 -12.288 -1.801 1.00 0.00 C ATOM 842 CD ARG A 54 5.508 -13.662 -1.786 1.00 0.00 C ATOM 843 NE ARG A 54 6.205 -13.892 -3.047 1.00 0.00 N ATOM 844 CZ ARG A 54 5.568 -14.382 -4.108 1.00 0.00 C ATOM 845 NH1 ARG A 54 4.294 -14.662 -4.035 1.00 0.00 N ATOM 846 NH2 ARG A 54 6.215 -14.578 -5.225 1.00 0.00 N ATOM 0 H ARG A 54 2.053 -11.797 -1.746 1.00 0.00 H new ATOM 0 HA ARG A 54 2.926 -10.520 0.469 1.00 0.00 H new ATOM 0 HB2 ARG A 54 4.893 -11.994 0.341 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.479 -12.865 -0.218 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.105 -12.238 -2.608 1.00 0.00 H new ATOM 0 HG3 ARG A 54 5.577 -11.512 -1.993 1.00 0.00 H new ATOM 0 HD2 ARG A 54 6.212 -13.722 -0.956 1.00 0.00 H new ATOM 0 HD3 ARG A 54 4.761 -14.439 -1.627 1.00 0.00 H new ATOM 0 HE ARG A 54 7.199 -13.673 -3.117 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.786 -14.505 -3.164 1.00 0.00 H new ATOM 0 HH12 ARG A 54 3.807 -15.037 -4.849 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.209 -14.356 -5.285 1.00 0.00 H new ATOM 0 HH22 ARG A 54 5.727 -14.954 -6.038 1.00 0.00 H new ATOM 860 N ARG A 55 4.275 -9.183 -2.133 1.00 0.00 N ATOM 861 CA ARG A 55 5.127 -8.095 -2.591 1.00 0.00 C ATOM 862 C ARG A 55 4.462 -6.745 -2.351 1.00 0.00 C ATOM 863 O ARG A 55 5.070 -5.844 -1.776 1.00 0.00 O ATOM 864 CB ARG A 55 5.395 -8.252 -4.090 1.00 0.00 C ATOM 865 CG ARG A 55 5.938 -9.653 -4.389 1.00 0.00 C ATOM 866 CD ARG A 55 7.316 -9.831 -3.750 1.00 0.00 C ATOM 867 NE ARG A 55 7.986 -10.997 -4.310 1.00 0.00 N ATOM 868 CZ ARG A 55 9.019 -11.554 -3.690 1.00 0.00 C ATOM 869 NH1 ARG A 55 9.437 -11.063 -2.556 1.00 0.00 N ATOM 870 NH2 ARG A 55 9.612 -12.591 -4.212 1.00 0.00 N ATOM 0 H ARG A 55 3.686 -9.597 -2.855 1.00 0.00 H new ATOM 0 HA ARG A 55 6.061 -8.135 -2.031 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.475 -8.084 -4.650 1.00 0.00 H new ATOM 0 HB3 ARG A 55 6.111 -7.499 -4.419 1.00 0.00 H new ATOM 0 HG2 ARG A 55 5.251 -10.407 -4.005 1.00 0.00 H new ATOM 0 HG3 ARG A 55 6.006 -9.803 -5.467 1.00 0.00 H new ATOM 0 HD2 ARG A 55 7.920 -8.940 -3.919 1.00 0.00 H new ATOM 0 HD3 ARG A 55 7.212 -9.946 -2.671 1.00 0.00 H new ATOM 0 HE ARG A 55 7.657 -11.391 -5.191 1.00 0.00 H new ATOM 0 HH11 ARG A 55 8.970 -10.253 -2.148 1.00 0.00 H new ATOM 0 HH12 ARG A 55 10.231 -11.489 -2.077 1.00 0.00 H new ATOM 0 HH21 ARG A 55 9.282 -12.975 -5.098 1.00 0.00 H new ATOM 0 HH22 ARG A 55 10.406 -13.018 -3.735 1.00 0.00 H new ATOM 884 N VAL A 56 3.215 -6.618 -2.790 1.00 0.00 N ATOM 885 CA VAL A 56 2.477 -5.370 -2.626 1.00 0.00 C ATOM 886 C VAL A 56 0.981 -5.612 -2.770 1.00 0.00 C ATOM 887 O VAL A 56 0.538 -6.750 -2.928 1.00 0.00 O ATOM 888 CB VAL A 56 2.925 -4.346 -3.682 1.00 0.00 C ATOM 889 CG1 VAL A 56 4.344 -3.849 -3.384 1.00 0.00 C ATOM 890 CG2 VAL A 56 2.902 -4.999 -5.067 1.00 0.00 C ATOM 0 H VAL A 56 2.695 -7.359 -3.260 1.00 0.00 H new ATOM 0 HA VAL A 56 2.684 -4.981 -1.629 1.00 0.00 H new ATOM 0 HB VAL A 56 2.241 -3.498 -3.656 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.643 -3.125 -4.142 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.365 -3.376 -2.402 1.00 0.00 H new ATOM 0 HG13 VAL A 56 5.035 -4.692 -3.395 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.219 -4.274 -5.816 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.580 -5.853 -5.078 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.890 -5.336 -5.294 1.00 0.00 H new ATOM 900 N SER A 57 0.203 -4.529 -2.722 1.00 0.00 N ATOM 901 CA SER A 57 -1.251 -4.619 -2.853 1.00 0.00 C ATOM 902 C SER A 57 -1.710 -3.955 -4.146 1.00 0.00 C ATOM 903 O SER A 57 -1.134 -2.959 -4.582 1.00 0.00 O ATOM 904 CB SER A 57 -1.927 -3.938 -1.665 1.00 0.00 C ATOM 905 OG SER A 57 -1.640 -2.545 -1.695 1.00 0.00 O ATOM 0 H SER A 57 0.556 -3.581 -2.593 1.00 0.00 H new ATOM 0 HA SER A 57 -1.531 -5.672 -2.874 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.004 -4.100 -1.703 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.572 -4.374 -0.731 1.00 0.00 H new ATOM 0 HG SER A 57 -2.074 -2.105 -0.934 1.00 0.00 H new ATOM 911 N LEU A 58 -2.750 -4.516 -4.753 1.00 0.00 N ATOM 912 CA LEU A 58 -3.289 -3.978 -5.999 1.00 0.00 C ATOM 913 C LEU A 58 -4.783 -4.252 -6.090 1.00 0.00 C ATOM 914 O LEU A 58 -5.270 -5.265 -5.590 1.00 0.00 O ATOM 915 CB LEU A 58 -2.567 -4.613 -7.196 1.00 0.00 C ATOM 916 CG LEU A 58 -3.099 -4.031 -8.517 1.00 0.00 C ATOM 917 CD1 LEU A 58 -2.839 -2.515 -8.584 1.00 0.00 C ATOM 918 CD2 LEU A 58 -2.395 -4.727 -9.687 1.00 0.00 C ATOM 0 H LEU A 58 -3.237 -5.342 -4.404 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.129 -2.900 -6.014 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.495 -4.433 -7.118 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.711 -5.693 -7.184 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.174 -4.199 -8.574 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.222 -2.121 -9.525 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.343 -2.022 -7.753 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.767 -2.327 -8.521 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.766 -4.321 -10.628 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.320 -4.558 -9.617 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.598 -5.797 -9.649 1.00 0.00 H new ATOM 930 N VAL A 59 -5.507 -3.345 -6.740 1.00 0.00 N ATOM 931 CA VAL A 59 -6.953 -3.495 -6.916 1.00 0.00 C ATOM 932 C VAL A 59 -7.338 -3.131 -8.344 1.00 0.00 C ATOM 933 O VAL A 59 -7.000 -2.051 -8.825 1.00 0.00 O ATOM 934 CB VAL A 59 -7.705 -2.593 -5.931 1.00 0.00 C ATOM 935 CG1 VAL A 59 -7.195 -1.153 -6.047 1.00 0.00 C ATOM 936 CG2 VAL A 59 -9.203 -2.629 -6.247 1.00 0.00 C ATOM 0 H VAL A 59 -5.118 -2.498 -7.154 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.225 -4.532 -6.721 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.535 -2.953 -4.916 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -7.734 -0.518 -5.344 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.130 -1.125 -5.818 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.358 -0.790 -7.062 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.738 -1.988 -5.547 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -9.369 -2.274 -7.264 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.570 -3.651 -6.156 1.00 0.00 H new ATOM 946 N LEU A 60 -8.044 -4.038 -9.017 1.00 0.00 N ATOM 947 CA LEU A 60 -8.466 -3.807 -10.402 1.00 0.00 C ATOM 948 C LEU A 60 -9.947 -4.143 -10.570 1.00 0.00 C ATOM 949 O LEU A 60 -10.544 -4.785 -9.711 1.00 0.00 O ATOM 950 CB LEU A 60 -7.639 -4.679 -11.350 1.00 0.00 C ATOM 951 CG LEU A 60 -6.141 -4.507 -11.070 1.00 0.00 C ATOM 952 CD1 LEU A 60 -5.356 -5.596 -11.808 1.00 0.00 C ATOM 953 CD2 LEU A 60 -5.667 -3.133 -11.565 1.00 0.00 C ATOM 0 H LEU A 60 -8.336 -4.936 -8.630 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.309 -2.755 -10.641 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.920 -5.725 -11.229 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.855 -4.409 -12.384 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.972 -4.585 -9.996 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.291 -5.475 -11.610 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.680 -6.577 -11.461 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.537 -5.512 -12.880 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.602 -3.021 -11.362 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.842 -3.053 -12.638 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.220 -2.349 -11.047 1.00 0.00 H new ATOM 965 N ARG A 61 -10.531 -3.704 -11.684 1.00 0.00 N ATOM 966 CA ARG A 61 -11.944 -3.968 -11.958 1.00 0.00 C ATOM 967 C ARG A 61 -12.144 -5.371 -12.524 1.00 0.00 C ATOM 968 O ARG A 61 -11.282 -5.893 -13.220 1.00 0.00 O ATOM 969 CB ARG A 61 -12.486 -2.939 -12.937 1.00 0.00 C ATOM 970 CG ARG A 61 -12.622 -1.610 -12.211 1.00 0.00 C ATOM 971 CD ARG A 61 -13.097 -0.557 -13.190 1.00 0.00 C ATOM 972 NE ARG A 61 -14.435 -0.879 -13.677 1.00 0.00 N ATOM 973 CZ ARG A 61 -15.011 -0.165 -14.639 1.00 0.00 C ATOM 974 NH1 ARG A 61 -14.383 0.848 -15.169 1.00 0.00 N ATOM 975 NH2 ARG A 61 -16.209 -0.476 -15.055 1.00 0.00 N ATOM 0 H ARG A 61 -10.052 -3.167 -12.407 1.00 0.00 H new ATOM 0 HA ARG A 61 -12.488 -3.897 -11.016 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.816 -2.838 -13.791 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.452 -3.259 -13.327 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -13.329 -1.703 -11.386 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.665 -1.318 -11.779 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -13.105 0.420 -12.707 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -12.404 -0.493 -14.029 1.00 0.00 H new ATOM 0 HE ARG A 61 -14.938 -1.668 -13.271 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -13.447 1.094 -14.845 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -14.827 1.394 -15.907 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -16.703 -1.267 -14.642 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -16.651 0.072 -15.793 1.00 0.00 H new ATOM 989 N LYS A 62 -13.289 -5.981 -12.230 1.00 0.00 N ATOM 990 CA LYS A 62 -13.574 -7.326 -12.727 1.00 0.00 C ATOM 991 C LYS A 62 -13.137 -7.479 -14.182 1.00 0.00 C ATOM 992 O LYS A 62 -12.589 -8.515 -14.576 1.00 0.00 O ATOM 993 CB LYS A 62 -15.074 -7.608 -12.609 1.00 0.00 C ATOM 994 CG LYS A 62 -15.383 -9.015 -13.125 1.00 0.00 C ATOM 995 CD LYS A 62 -16.873 -9.298 -12.961 1.00 0.00 C ATOM 996 CE LYS A 62 -17.173 -10.684 -13.519 1.00 0.00 C ATOM 997 NZ LYS A 62 -18.625 -10.979 -13.369 1.00 0.00 N ATOM 0 H LYS A 62 -14.027 -5.572 -11.657 1.00 0.00 H new ATOM 0 HA LYS A 62 -13.013 -8.041 -12.124 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -15.389 -7.515 -11.570 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -15.637 -6.870 -13.180 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -15.098 -9.100 -14.174 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -14.799 -9.753 -12.575 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -17.154 -9.246 -11.909 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -17.460 -8.544 -13.486 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -16.888 -10.734 -14.570 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -16.583 -11.434 -12.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -18.828 -11.925 -13.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -18.883 -10.949 -12.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -19.179 -10.270 -13.890 1.00 0.00 H new ATOM 1011 N LYS A 63 -13.384 -6.450 -14.977 1.00 0.00 N ATOM 1012 CA LYS A 63 -13.020 -6.486 -16.388 1.00 0.00 C ATOM 1013 C LYS A 63 -11.523 -6.729 -16.549 1.00 0.00 C ATOM 1014 O LYS A 63 -11.100 -7.484 -17.425 1.00 0.00 O ATOM 1015 CB LYS A 63 -13.387 -5.162 -17.055 1.00 0.00 C ATOM 1016 CG LYS A 63 -14.910 -5.011 -17.099 1.00 0.00 C ATOM 1017 CD LYS A 63 -15.286 -3.775 -17.926 1.00 0.00 C ATOM 1018 CE LYS A 63 -14.843 -2.498 -17.203 1.00 0.00 C ATOM 1019 NZ LYS A 63 -15.568 -1.328 -17.782 1.00 0.00 N ATOM 0 H LYS A 63 -13.832 -5.585 -14.674 1.00 0.00 H new ATOM 0 HA LYS A 63 -13.567 -7.301 -16.862 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -12.945 -4.332 -16.504 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -12.979 -5.127 -18.065 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -15.361 -5.903 -17.535 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -15.305 -4.917 -16.087 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -14.814 -3.828 -18.907 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -16.363 -3.753 -18.091 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -15.052 -2.579 -16.136 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -13.767 -2.362 -17.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -15.186 -0.449 -17.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -15.443 -1.318 -18.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -16.581 -1.401 -17.557 1.00 0.00 H new ATOM 1033 N ASP A 64 -10.725 -6.093 -15.704 1.00 0.00 N ATOM 1034 CA ASP A 64 -9.284 -6.259 -15.772 1.00 0.00 C ATOM 1035 C ASP A 64 -8.900 -7.712 -15.511 1.00 0.00 C ATOM 1036 O ASP A 64 -8.020 -8.258 -16.169 1.00 0.00 O ATOM 1037 CB ASP A 64 -8.614 -5.371 -14.731 1.00 0.00 C ATOM 1038 CG ASP A 64 -8.718 -3.906 -15.141 1.00 0.00 C ATOM 1039 OD1 ASP A 64 -9.140 -3.653 -16.258 1.00 0.00 O ATOM 1040 OD2 ASP A 64 -8.373 -3.060 -14.334 1.00 0.00 O ATOM 0 H ASP A 64 -11.049 -5.463 -14.970 1.00 0.00 H new ATOM 0 HA ASP A 64 -8.951 -5.976 -16.770 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -9.086 -5.518 -13.759 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -7.566 -5.652 -14.623 1.00 0.00 H new ATOM 1045 N LEU A 65 -9.561 -8.330 -14.537 1.00 0.00 N ATOM 1046 CA LEU A 65 -9.265 -9.717 -14.196 1.00 0.00 C ATOM 1047 C LEU A 65 -9.558 -10.618 -15.388 1.00 0.00 C ATOM 1048 O LEU A 65 -8.787 -11.528 -15.695 1.00 0.00 O ATOM 1049 CB LEU A 65 -10.114 -10.154 -12.992 1.00 0.00 C ATOM 1050 CG LEU A 65 -9.496 -9.627 -11.686 1.00 0.00 C ATOM 1051 CD1 LEU A 65 -8.150 -10.308 -11.373 1.00 0.00 C ATOM 1052 CD2 LEU A 65 -9.290 -8.121 -11.813 1.00 0.00 C ATOM 0 H LEU A 65 -10.296 -7.899 -13.976 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.210 -9.800 -13.936 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.131 -9.777 -13.099 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.179 -11.242 -12.959 1.00 0.00 H new ATOM 0 HG LEU A 65 -10.178 -9.855 -10.867 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.747 -9.907 -10.443 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.301 -11.383 -11.270 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.448 -10.117 -12.185 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -8.852 -7.735 -10.893 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.621 -7.914 -12.648 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -10.250 -7.636 -11.989 1.00 0.00 H new ATOM 1064 N ALA A 66 -10.671 -10.360 -16.062 1.00 0.00 N ATOM 1065 CA ALA A 66 -11.035 -11.158 -17.220 1.00 0.00 C ATOM 1066 C ALA A 66 -10.005 -10.983 -18.330 1.00 0.00 C ATOM 1067 O ALA A 66 -9.623 -11.946 -18.995 1.00 0.00 O ATOM 1068 CB ALA A 66 -12.413 -10.742 -17.728 1.00 0.00 C ATOM 0 H ALA A 66 -11.328 -9.615 -15.830 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.061 -12.207 -16.925 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.678 -11.345 -18.596 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -13.152 -10.894 -16.941 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -12.394 -9.689 -18.010 1.00 0.00 H new ATOM 1074 N LEU A 67 -9.561 -9.746 -18.528 1.00 0.00 N ATOM 1075 CA LEU A 67 -8.578 -9.458 -19.566 1.00 0.00 C ATOM 1076 C LEU A 67 -7.226 -10.070 -19.222 1.00 0.00 C ATOM 1077 O LEU A 67 -6.562 -10.651 -20.077 1.00 0.00 O ATOM 1078 CB LEU A 67 -8.424 -7.945 -19.725 1.00 0.00 C ATOM 1079 CG LEU A 67 -9.706 -7.347 -20.319 1.00 0.00 C ATOM 1080 CD1 LEU A 67 -9.626 -5.819 -20.249 1.00 0.00 C ATOM 1081 CD2 LEU A 67 -9.887 -7.798 -21.784 1.00 0.00 C ATOM 0 H LEU A 67 -9.863 -8.934 -17.989 1.00 0.00 H new ATOM 0 HA LEU A 67 -8.930 -9.895 -20.500 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.214 -7.489 -18.758 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.576 -7.723 -20.372 1.00 0.00 H new ATOM 0 HG LEU A 67 -10.563 -7.698 -19.745 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.534 -5.387 -20.670 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.524 -5.507 -19.210 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -8.763 -5.473 -20.818 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -10.802 -7.364 -22.188 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -9.035 -7.464 -22.375 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.953 -8.885 -21.824 1.00 0.00 H new ATOM 1093 N LEU A 68 -6.821 -9.940 -17.967 1.00 0.00 N ATOM 1094 CA LEU A 68 -5.543 -10.483 -17.539 1.00 0.00 C ATOM 1095 C LEU A 68 -5.557 -12.001 -17.633 1.00 0.00 C ATOM 1096 O LEU A 68 -6.509 -12.651 -17.199 1.00 0.00 O ATOM 1097 CB LEU A 68 -5.259 -10.050 -16.101 1.00 0.00 C ATOM 1098 CG LEU A 68 -4.976 -8.542 -16.059 1.00 0.00 C ATOM 1099 CD1 LEU A 68 -4.967 -8.071 -14.600 1.00 0.00 C ATOM 1100 CD2 LEU A 68 -3.620 -8.224 -16.720 1.00 0.00 C ATOM 0 H LEU A 68 -7.353 -9.469 -17.235 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.758 -10.102 -18.192 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.112 -10.287 -15.465 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.405 -10.601 -15.707 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.757 -8.019 -16.611 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.766 -7.000 -14.565 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.937 -8.274 -14.146 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.191 -8.604 -14.050 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.439 -7.150 -16.680 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.825 -8.747 -16.188 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.637 -8.550 -17.760 1.00 0.00 H new ATOM 1112 N GLU A 69 -4.498 -12.562 -18.207 1.00 0.00 N ATOM 1113 CA GLU A 69 -4.417 -14.010 -18.352 1.00 0.00 C ATOM 1114 C GLU A 69 -3.994 -14.642 -17.035 1.00 0.00 C ATOM 1115 O GLU A 69 -2.861 -14.462 -16.582 1.00 0.00 O ATOM 1116 CB GLU A 69 -3.411 -14.377 -19.444 1.00 0.00 C ATOM 1117 CG GLU A 69 -3.936 -13.906 -20.801 1.00 0.00 C ATOM 1118 CD GLU A 69 -2.879 -14.142 -21.875 1.00 0.00 C ATOM 1119 OE1 GLU A 69 -1.823 -14.648 -21.535 1.00 0.00 O ATOM 1120 OE2 GLU A 69 -3.141 -13.809 -23.019 1.00 0.00 O ATOM 0 H GLU A 69 -3.697 -12.047 -18.573 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.400 -14.387 -18.633 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.446 -13.914 -19.235 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.251 -15.455 -19.458 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.850 -14.443 -21.054 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.191 -12.847 -20.755 1.00 0.00 H new ATOM 1127 N VAL A 70 -4.914 -15.385 -16.419 1.00 0.00 N ATOM 1128 CA VAL A 70 -4.635 -16.046 -15.142 1.00 0.00 C ATOM 1129 C VAL A 70 -5.016 -17.520 -15.207 1.00 0.00 C ATOM 1130 O VAL A 70 -5.799 -17.931 -16.066 1.00 0.00 O ATOM 1131 CB VAL A 70 -5.422 -15.370 -14.016 1.00 0.00 C ATOM 1132 CG1 VAL A 70 -4.951 -13.920 -13.854 1.00 0.00 C ATOM 1133 CG2 VAL A 70 -6.915 -15.391 -14.356 1.00 0.00 C ATOM 0 H VAL A 70 -5.854 -15.544 -16.781 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.567 -15.963 -14.942 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.254 -15.907 -13.083 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -5.513 -13.442 -13.052 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.889 -13.908 -13.610 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -5.116 -13.378 -14.785 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.477 -14.910 -13.556 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -7.083 -14.855 -15.290 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.249 -16.423 -14.465 1.00 0.00 H new ATOM 1143 N GLU A 71 -4.459 -18.314 -14.293 1.00 0.00 N ATOM 1144 CA GLU A 71 -4.751 -19.749 -14.255 1.00 0.00 C ATOM 1145 C GLU A 71 -4.780 -20.250 -12.816 1.00 0.00 C ATOM 1146 O GLU A 71 -3.841 -20.028 -12.052 1.00 0.00 O ATOM 1147 CB GLU A 71 -3.680 -20.522 -15.035 1.00 0.00 C ATOM 1148 CG GLU A 71 -4.190 -21.928 -15.361 1.00 0.00 C ATOM 1149 CD GLU A 71 -5.283 -21.855 -16.423 1.00 0.00 C ATOM 1150 OE1 GLU A 71 -5.503 -20.775 -16.946 1.00 0.00 O ATOM 1151 OE2 GLU A 71 -5.884 -22.880 -16.697 1.00 0.00 O ATOM 0 H GLU A 71 -3.809 -17.993 -13.575 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.728 -19.912 -14.711 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -3.434 -19.992 -15.955 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.764 -20.585 -14.448 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -3.367 -22.549 -15.716 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -4.579 -22.401 -14.459 1.00 0.00 H new ATOM 1158 N ALA A 72 -5.858 -20.937 -12.456 1.00 0.00 N ATOM 1159 CA ALA A 72 -5.985 -21.472 -11.108 1.00 0.00 C ATOM 1160 C ALA A 72 -4.960 -22.579 -10.889 1.00 0.00 C ATOM 1161 O ALA A 72 -4.804 -23.468 -11.726 1.00 0.00 O ATOM 1162 CB ALA A 72 -7.395 -22.025 -10.899 1.00 0.00 C ATOM 0 H ALA A 72 -6.647 -21.134 -13.071 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.804 -20.672 -10.391 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -7.483 -22.424 -9.888 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.123 -21.226 -11.039 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.585 -22.820 -11.620 1.00 0.00 H new ATOM 1168 N VAL A 73 -4.260 -22.514 -9.762 1.00 0.00 N ATOM 1169 CA VAL A 73 -3.243 -23.511 -9.442 1.00 0.00 C ATOM 1170 C VAL A 73 -3.870 -24.683 -8.701 1.00 0.00 C ATOM 1171 O VAL A 73 -4.622 -24.493 -7.745 1.00 0.00 O ATOM 1172 CB VAL A 73 -2.153 -22.891 -8.568 1.00 0.00 C ATOM 1173 CG1 VAL A 73 -0.977 -23.863 -8.441 1.00 0.00 C ATOM 1174 CG2 VAL A 73 -1.658 -21.599 -9.211 1.00 0.00 C ATOM 0 H VAL A 73 -4.376 -21.786 -9.057 1.00 0.00 H new ATOM 0 HA VAL A 73 -2.803 -23.865 -10.375 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.565 -22.681 -7.581 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.202 -23.417 -7.817 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.320 -24.792 -7.985 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.570 -24.073 -9.430 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.881 -21.157 -8.588 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.251 -21.817 -10.199 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.488 -20.899 -9.307 1.00 0.00 H new ATOM 1184 N SER A 74 -3.557 -25.896 -9.144 1.00 0.00 N ATOM 1185 CA SER A 74 -4.098 -27.095 -8.511 1.00 0.00 C ATOM 1186 C SER A 74 -3.181 -27.577 -7.392 1.00 0.00 C ATOM 1187 O SER A 74 -2.973 -28.780 -7.225 1.00 0.00 O ATOM 1188 CB SER A 74 -4.259 -28.204 -9.547 1.00 0.00 C ATOM 1189 OG SER A 74 -5.155 -27.773 -10.564 1.00 0.00 O ATOM 0 H SER A 74 -2.936 -26.075 -9.933 1.00 0.00 H new ATOM 0 HA SER A 74 -5.070 -26.847 -8.086 1.00 0.00 H new ATOM 0 HB2 SER A 74 -3.291 -28.454 -9.982 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.639 -29.109 -9.072 1.00 0.00 H new ATOM 0 HG SER A 74 -5.258 -28.483 -11.231 1.00 0.00 H new ATOM 1195 N SER A 75 -2.637 -26.636 -6.623 1.00 0.00 N ATOM 1196 CA SER A 75 -1.743 -26.976 -5.514 1.00 0.00 C ATOM 1197 C SER A 75 -2.134 -26.204 -4.262 1.00 0.00 C ATOM 1198 O SER A 75 -2.528 -25.040 -4.336 1.00 0.00 O ATOM 1199 CB SER A 75 -0.302 -26.637 -5.892 1.00 0.00 C ATOM 1200 OG SER A 75 0.096 -27.445 -6.990 1.00 0.00 O ATOM 0 H SER A 75 -2.797 -25.636 -6.745 1.00 0.00 H new ATOM 0 HA SER A 75 -1.827 -28.044 -5.312 1.00 0.00 H new ATOM 0 HB2 SER A 75 -0.221 -25.582 -6.153 1.00 0.00 H new ATOM 0 HB3 SER A 75 0.359 -26.807 -5.042 1.00 0.00 H new ATOM 0 HG SER A 75 1.020 -27.230 -7.237 1.00 0.00 H new ATOM 1206 N LEU A 76 -2.020 -26.858 -3.112 1.00 0.00 N ATOM 1207 CA LEU A 76 -2.364 -26.217 -1.849 1.00 0.00 C ATOM 1208 C LEU A 76 -1.443 -25.035 -1.581 1.00 0.00 C ATOM 1209 O LEU A 76 -1.892 -23.969 -1.160 1.00 0.00 O ATOM 1210 CB LEU A 76 -2.255 -27.228 -0.700 1.00 0.00 C ATOM 1211 CG LEU A 76 -2.571 -26.549 0.644 1.00 0.00 C ATOM 1212 CD1 LEU A 76 -3.977 -25.923 0.610 1.00 0.00 C ATOM 1213 CD2 LEU A 76 -2.494 -27.593 1.765 1.00 0.00 C ATOM 0 H LEU A 76 -1.696 -27.821 -3.028 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.390 -25.855 -1.915 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.945 -28.055 -0.868 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.251 -27.651 -0.674 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.844 -25.758 0.826 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.186 -25.446 1.568 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.024 -25.178 -0.184 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.717 -26.701 0.422 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.717 -27.118 2.720 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.219 -28.385 1.575 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.491 -28.019 1.797 1.00 0.00 H new ATOM 1225 N GLU A 77 -0.150 -25.234 -1.815 1.00 0.00 N ATOM 1226 CA GLU A 77 0.828 -24.177 -1.582 1.00 0.00 C ATOM 1227 C GLU A 77 0.579 -23.500 -0.238 1.00 0.00 C ATOM 1228 O GLU A 77 -0.257 -22.602 -0.129 1.00 0.00 O ATOM 1229 CB GLU A 77 0.756 -23.139 -2.701 1.00 0.00 C ATOM 1230 CG GLU A 77 1.270 -23.759 -4.001 1.00 0.00 C ATOM 1231 CD GLU A 77 1.140 -22.756 -5.140 1.00 0.00 C ATOM 1232 OE1 GLU A 77 0.660 -21.663 -4.889 1.00 0.00 O ATOM 1233 OE2 GLU A 77 1.524 -23.095 -6.248 1.00 0.00 O ATOM 0 H GLU A 77 0.243 -26.109 -2.163 1.00 0.00 H new ATOM 0 HA GLU A 77 1.821 -24.626 -1.570 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -0.271 -22.797 -2.829 1.00 0.00 H new ATOM 0 HB3 GLU A 77 1.353 -22.265 -2.441 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.312 -24.058 -3.885 1.00 0.00 H new ATOM 0 HG3 GLU A 77 0.704 -24.661 -4.233 1.00 0.00 H new ATOM 1240 N HIS A 78 1.310 -23.934 0.785 1.00 0.00 N ATOM 1241 CA HIS A 78 1.159 -23.361 2.118 1.00 0.00 C ATOM 1242 C HIS A 78 1.855 -22.006 2.200 1.00 0.00 C ATOM 1243 O HIS A 78 3.025 -21.876 1.841 1.00 0.00 O ATOM 1244 CB HIS A 78 1.756 -24.305 3.165 1.00 0.00 C ATOM 1245 CG HIS A 78 1.591 -23.705 4.534 1.00 0.00 C ATOM 1246 ND1 HIS A 78 0.370 -23.688 5.191 1.00 0.00 N ATOM 1247 CD2 HIS A 78 2.481 -23.098 5.384 1.00 0.00 C ATOM 1248 CE1 HIS A 78 0.558 -23.088 6.381 1.00 0.00 C ATOM 1249 NE2 HIS A 78 1.828 -22.709 6.549 1.00 0.00 N ATOM 0 H HIS A 78 2.008 -24.675 0.717 1.00 0.00 H new ATOM 0 HA HIS A 78 0.096 -23.225 2.315 1.00 0.00 H new ATOM 0 HB2 HIS A 78 1.261 -25.275 3.120 1.00 0.00 H new ATOM 0 HB3 HIS A 78 2.812 -24.476 2.956 1.00 0.00 H new ATOM 0 HD2 HIS A 78 3.530 -22.945 5.179 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -0.223 -22.932 7.111 1.00 0.00 H new ATOM 0 HE2 HIS A 78 2.232 -22.236 7.358 1.00 0.00 H new ATOM 1257 N HIS A 79 1.127 -21.000 2.675 1.00 0.00 N ATOM 1258 CA HIS A 79 1.687 -19.659 2.798 1.00 0.00 C ATOM 1259 C HIS A 79 2.841 -19.646 3.797 1.00 0.00 C ATOM 1260 O HIS A 79 3.995 -19.865 3.428 1.00 0.00 O ATOM 1261 CB HIS A 79 0.600 -18.681 3.251 1.00 0.00 C ATOM 1262 CG HIS A 79 1.187 -17.301 3.372 1.00 0.00 C ATOM 1263 ND1 HIS A 79 1.852 -16.878 4.512 1.00 0.00 N ATOM 1264 CD2 HIS A 79 1.217 -16.237 2.504 1.00 0.00 C ATOM 1265 CE1 HIS A 79 2.251 -15.609 4.302 1.00 0.00 C ATOM 1266 NE2 HIS A 79 1.889 -15.171 3.093 1.00 0.00 N ATOM 0 H HIS A 79 0.157 -21.086 2.978 1.00 0.00 H new ATOM 0 HA HIS A 79 2.067 -19.353 1.823 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -0.222 -18.677 2.535 1.00 0.00 H new ATOM 0 HB3 HIS A 79 0.187 -18.998 4.209 1.00 0.00 H new ATOM 0 HD2 HIS A 79 0.785 -16.229 1.514 1.00 0.00 H new ATOM 0 HE1 HIS A 79 2.797 -15.018 5.023 1.00 0.00 H new ATOM 0 HE2 HIS A 79 2.067 -14.252 2.688 1.00 0.00 H new ATOM 1274 N HIS A 80 2.524 -19.389 5.062 1.00 0.00 N ATOM 1275 CA HIS A 80 3.543 -19.352 6.104 1.00 0.00 C ATOM 1276 C HIS A 80 2.905 -19.506 7.481 1.00 0.00 C ATOM 1277 O HIS A 80 3.106 -20.512 8.161 1.00 0.00 O ATOM 1278 CB HIS A 80 4.309 -18.031 6.038 1.00 0.00 C ATOM 1279 CG HIS A 80 5.331 -17.990 7.139 1.00 0.00 C ATOM 1280 ND1 HIS A 80 5.044 -17.479 8.395 1.00 0.00 N ATOM 1281 CD2 HIS A 80 6.642 -18.394 7.189 1.00 0.00 C ATOM 1282 CE1 HIS A 80 6.158 -17.588 9.142 1.00 0.00 C ATOM 1283 NE2 HIS A 80 7.163 -18.139 8.455 1.00 0.00 N ATOM 0 H HIS A 80 1.576 -19.204 5.389 1.00 0.00 H new ATOM 0 HA HIS A 80 4.234 -20.179 5.942 1.00 0.00 H new ATOM 0 HB2 HIS A 80 4.798 -17.930 5.069 1.00 0.00 H new ATOM 0 HB3 HIS A 80 3.619 -17.193 6.136 1.00 0.00 H new ATOM 0 HD2 HIS A 80 7.187 -18.842 6.371 1.00 0.00 H new ATOM 0 HE1 HIS A 80 6.231 -17.269 10.171 1.00 0.00 H new ATOM 0 HE2 HIS A 80 8.108 -18.331 8.787 1.00 0.00 H new ATOM 1291 N HIS A 81 2.135 -18.501 7.884 1.00 0.00 N ATOM 1292 CA HIS A 81 1.471 -18.532 9.182 1.00 0.00 C ATOM 1293 C HIS A 81 0.253 -19.449 9.137 1.00 0.00 C ATOM 1294 O HIS A 81 -0.485 -19.468 8.153 1.00 0.00 O ATOM 1295 CB HIS A 81 1.034 -17.121 9.580 1.00 0.00 C ATOM 1296 CG HIS A 81 2.243 -16.236 9.703 1.00 0.00 C ATOM 1297 ND1 HIS A 81 3.112 -16.317 10.780 1.00 0.00 N ATOM 1298 CD2 HIS A 81 2.742 -15.248 8.892 1.00 0.00 C ATOM 1299 CE1 HIS A 81 4.080 -15.402 10.590 1.00 0.00 C ATOM 1300 NE2 HIS A 81 3.902 -14.724 9.454 1.00 0.00 N ATOM 0 H HIS A 81 1.956 -17.660 7.335 1.00 0.00 H new ATOM 0 HA HIS A 81 2.175 -18.915 9.920 1.00 0.00 H new ATOM 0 HB2 HIS A 81 0.349 -16.717 8.834 1.00 0.00 H new ATOM 0 HB3 HIS A 81 0.494 -17.150 10.526 1.00 0.00 H new ATOM 0 HD2 HIS A 81 2.302 -14.926 7.960 1.00 0.00 H new ATOM 0 HE1 HIS A 81 4.900 -15.236 11.273 1.00 0.00 H new ATOM 0 HE2 HIS A 81 4.491 -13.981 9.078 1.00 0.00 H new ATOM 1308 N HIS A 82 0.049 -20.208 10.212 1.00 0.00 N ATOM 1309 CA HIS A 82 -1.084 -21.126 10.288 1.00 0.00 C ATOM 1310 C HIS A 82 -2.331 -20.399 10.778 1.00 0.00 C ATOM 1311 O HIS A 82 -2.302 -19.722 11.807 1.00 0.00 O ATOM 1312 CB HIS A 82 -0.757 -22.280 11.238 1.00 0.00 C ATOM 1313 CG HIS A 82 -1.897 -23.259 11.246 1.00 0.00 C ATOM 1314 ND1 HIS A 82 -2.224 -24.020 10.135 1.00 0.00 N ATOM 1315 CD2 HIS A 82 -2.797 -23.613 12.221 1.00 0.00 C ATOM 1316 CE1 HIS A 82 -3.281 -24.786 10.465 1.00 0.00 C ATOM 1317 NE2 HIS A 82 -3.669 -24.578 11.727 1.00 0.00 N ATOM 0 H HIS A 82 0.649 -20.206 11.037 1.00 0.00 H new ATOM 0 HA HIS A 82 -1.276 -21.520 9.290 1.00 0.00 H new ATOM 0 HB2 HIS A 82 0.161 -22.776 10.922 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -0.583 -21.899 12.244 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -2.824 -23.204 13.220 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -3.757 -25.484 9.792 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -4.439 -25.029 12.221 1.00 0.00 H new ATOM 1325 N HIS A 83 -3.423 -20.542 10.036 1.00 0.00 N ATOM 1326 CA HIS A 83 -4.677 -19.893 10.404 1.00 0.00 C ATOM 1327 C HIS A 83 -5.840 -20.494 9.621 1.00 0.00 C ATOM 1328 O HIS A 83 -6.764 -20.980 10.253 1.00 0.00 O ATOM 1329 CB HIS A 83 -4.589 -18.392 10.123 1.00 0.00 C ATOM 1330 CG HIS A 83 -4.397 -18.168 8.649 1.00 0.00 C ATOM 1331 ND1 HIS A 83 -3.183 -18.396 8.018 1.00 0.00 N ATOM 1332 CD2 HIS A 83 -5.253 -17.737 7.665 1.00 0.00 C ATOM 1333 CE1 HIS A 83 -3.341 -18.104 6.715 1.00 0.00 C ATOM 1334 NE2 HIS A 83 -4.584 -17.697 6.446 1.00 0.00 N ATOM 1335 OXT HIS A 83 -5.789 -20.457 8.403 1.00 0.00 O ATOM 0 H HIS A 83 -3.467 -21.097 9.182 1.00 0.00 H new ATOM 0 HA HIS A 83 -4.850 -20.053 11.468 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -5.497 -17.894 10.462 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -3.759 -17.955 10.679 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -2.326 -18.725 8.462 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -6.289 -17.470 7.815 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -2.558 -18.188 5.976 1.00 0.00 H new TER 1343 HIS A 83