USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 639 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 67 THR OG1 : rot 91:sc= 0.983 USER MOD Set 1.2: A 68 HIS : no HE2:sc= 0.356 K(o=1.3,f=-1.3) USER MOD Set 2.1: A 48 CYS SG : rot 2:sc= -1.29 USER MOD Set 2.2: A 54 SER OG : rot -81:sc= 0.83 USER MOD Set 2.3: A 71 ASN : amide:sc= 1.28 K(o=0.82,f=-0.95) USER MOD Set 3.1: A 12 GLN : amide:sc= 0.383 K(o=1.7,f=-0.43) USER MOD Set 3.2: A 15 GLN : amide:sc= 1.34 K(o=1.7,f=-0.11) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0.784 K(o=0.78,f=0) USER MOD Single : A 17 HIS : no HE2:sc= 0.313 K(o=0.31,f=-1.9!) USER MOD Single : A 19 GLN : amide:sc= -0.982! C(o=-0.98!,f=-3.2!) USER MOD Single : A 23 ASN : amide:sc= 1.31 K(o=1.3,f=-2.1!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 36:sc= 0.821 USER MOD Single : A 40 LYS NZ :NH3+ 178:sc= 1.19 (180deg=1.13) USER MOD Single : A 41 ASN : amide:sc= -0.0898 X(o=-0.09,f=-0.09) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 70:sc= 0.243 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 GLN : amide:sc= -0.421 K(o=-0.42,f=-3.4!) USER MOD Single : A 56 GLN : amide:sc= 0.354 X(o=0.35,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 166:sc= 1.34 (180deg=1.08) USER MOD Single : A 62 SER OG : rot -95:sc= 1.24 USER MOD Single : A 64 MET CE :methyl -176:sc= 0 (180deg=-0.013) USER MOD Single : A 66 TYR OH : rot -164:sc= 1.3 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -122:sc= 0 (180deg=-0.00481) USER MOD Single : A 82 LYS NZ :NH3+ -176:sc= 1.85 (180deg=1.83) USER MOD ----------------------------------------------------------------- ATOM 13 N GLU A 2 2.156 0.672 -4.143 1.00 0.00 N ATOM 14 CA GLU A 2 1.162 1.148 -5.092 1.00 0.00 C ATOM 15 C GLU A 2 0.056 1.889 -4.338 1.00 0.00 C ATOM 16 O GLU A 2 -0.168 1.623 -3.152 1.00 0.00 O ATOM 17 CB GLU A 2 0.594 -0.038 -5.905 1.00 0.00 C ATOM 18 CG GLU A 2 -0.210 -1.101 -5.132 1.00 0.00 C ATOM 19 CD GLU A 2 0.599 -1.901 -4.088 1.00 0.00 C ATOM 20 OE1 GLU A 2 1.736 -2.342 -4.376 1.00 0.00 O ATOM 21 OE2 GLU A 2 0.086 -2.121 -2.967 1.00 0.00 O ATOM 0 HA GLU A 2 1.624 1.841 -5.795 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -0.047 0.366 -6.689 1.00 0.00 H new ATOM 0 HB3 GLU A 2 1.427 -0.538 -6.400 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -1.041 -0.609 -4.626 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -0.642 -1.800 -5.848 1.00 0.00 H new ATOM 28 N HIS A 3 -0.670 2.757 -5.043 1.00 0.00 N ATOM 29 CA HIS A 3 -1.880 3.427 -4.576 1.00 0.00 C ATOM 30 C HIS A 3 -2.792 3.640 -5.787 1.00 0.00 C ATOM 31 O HIS A 3 -2.303 3.739 -6.915 1.00 0.00 O ATOM 32 CB HIS A 3 -1.546 4.790 -3.941 1.00 0.00 C ATOM 33 CG HIS A 3 -0.813 4.730 -2.623 1.00 0.00 C ATOM 34 ND1 HIS A 3 -1.338 4.342 -1.408 1.00 0.00 N ATOM 35 CD2 HIS A 3 0.478 5.126 -2.394 1.00 0.00 C ATOM 36 CE1 HIS A 3 -0.383 4.491 -0.475 1.00 0.00 C ATOM 37 NE2 HIS A 3 0.748 4.974 -1.026 1.00 0.00 N ATOM 0 H HIS A 3 -0.419 3.022 -5.995 1.00 0.00 H new ATOM 0 HA HIS A 3 -2.368 2.814 -3.818 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -0.943 5.362 -4.646 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -2.475 5.341 -3.795 1.00 0.00 H new ATOM 0 HD2 HIS A 3 1.169 5.492 -3.139 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -0.505 4.256 0.572 1.00 0.00 H new ATOM 0 HE2 HIS A 3 1.623 5.186 -0.546 1.00 0.00 H new ATOM 45 N TRP A 4 -4.102 3.747 -5.550 1.00 0.00 N ATOM 46 CA TRP A 4 -5.093 4.060 -6.572 1.00 0.00 C ATOM 47 C TRP A 4 -5.424 5.543 -6.450 1.00 0.00 C ATOM 48 O TRP A 4 -6.016 5.960 -5.450 1.00 0.00 O ATOM 49 CB TRP A 4 -6.354 3.206 -6.371 1.00 0.00 C ATOM 50 CG TRP A 4 -6.197 1.734 -6.604 1.00 0.00 C ATOM 51 CD1 TRP A 4 -5.789 0.829 -5.686 1.00 0.00 C ATOM 52 CD2 TRP A 4 -6.488 0.964 -7.811 1.00 0.00 C ATOM 53 NE1 TRP A 4 -5.801 -0.437 -6.236 1.00 0.00 N ATOM 54 CE2 TRP A 4 -6.237 -0.416 -7.544 1.00 0.00 C ATOM 55 CE3 TRP A 4 -6.964 1.292 -9.098 1.00 0.00 C ATOM 56 CZ2 TRP A 4 -6.446 -1.416 -8.507 1.00 0.00 C ATOM 57 CZ3 TRP A 4 -7.184 0.296 -10.069 1.00 0.00 C ATOM 58 CH2 TRP A 4 -6.925 -1.055 -9.777 1.00 0.00 C ATOM 0 H TRP A 4 -4.507 3.615 -4.623 1.00 0.00 H new ATOM 0 HA TRP A 4 -4.703 3.840 -7.566 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -6.711 3.356 -5.352 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -7.131 3.578 -7.039 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -5.497 1.062 -4.673 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -5.522 -1.282 -5.737 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -7.163 2.325 -9.343 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -6.241 -2.450 -8.274 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -7.554 0.572 -11.045 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -7.094 -1.813 -10.527 1.00 0.00 H new ATOM 69 N ILE A 5 -5.039 6.335 -7.449 1.00 0.00 N ATOM 70 CA ILE A 5 -5.335 7.758 -7.528 1.00 0.00 C ATOM 71 C ILE A 5 -6.311 7.876 -8.698 1.00 0.00 C ATOM 72 O ILE A 5 -5.927 7.752 -9.861 1.00 0.00 O ATOM 73 CB ILE A 5 -4.042 8.605 -7.703 1.00 0.00 C ATOM 74 CG1 ILE A 5 -3.167 8.765 -6.434 1.00 0.00 C ATOM 75 CG2 ILE A 5 -4.363 10.045 -8.150 1.00 0.00 C ATOM 76 CD1 ILE A 5 -2.722 7.479 -5.738 1.00 0.00 C ATOM 0 H ILE A 5 -4.499 5.993 -8.244 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.775 8.154 -6.613 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.490 8.032 -8.448 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -2.276 9.331 -6.705 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -3.720 9.367 -5.713 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.436 10.607 -8.262 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -4.890 10.021 -9.104 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.991 10.527 -7.401 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.117 7.728 -4.866 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.599 6.914 -5.422 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.132 6.877 -6.429 1.00 0.00 H new ATOM 88 N ASP A 6 -7.595 8.041 -8.400 1.00 0.00 N ATOM 89 CA ASP A 6 -8.570 8.447 -9.400 1.00 0.00 C ATOM 90 C ASP A 6 -8.220 9.888 -9.805 1.00 0.00 C ATOM 91 O ASP A 6 -7.769 10.671 -8.961 1.00 0.00 O ATOM 92 CB ASP A 6 -9.971 8.349 -8.792 1.00 0.00 C ATOM 93 CG ASP A 6 -11.035 8.842 -9.766 1.00 0.00 C ATOM 94 OD1 ASP A 6 -11.130 10.070 -9.966 1.00 0.00 O ATOM 95 OD2 ASP A 6 -11.801 8.009 -10.295 1.00 0.00 O ATOM 0 H ASP A 6 -7.984 7.898 -7.468 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.551 7.808 -10.283 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.178 7.315 -8.517 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -10.014 8.937 -7.875 1.00 0.00 H new ATOM 100 N VAL A 7 -8.408 10.261 -11.071 1.00 0.00 N ATOM 101 CA VAL A 7 -7.954 11.557 -11.589 1.00 0.00 C ATOM 102 C VAL A 7 -9.104 12.338 -12.245 1.00 0.00 C ATOM 103 O VAL A 7 -8.869 13.369 -12.884 1.00 0.00 O ATOM 104 CB VAL A 7 -6.716 11.389 -12.512 1.00 0.00 C ATOM 105 CG1 VAL A 7 -5.727 12.540 -12.305 1.00 0.00 C ATOM 106 CG2 VAL A 7 -5.909 10.096 -12.298 1.00 0.00 C ATOM 0 H VAL A 7 -8.876 9.679 -11.765 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.626 12.166 -10.747 1.00 0.00 H new ATOM 0 HB VAL A 7 -7.146 11.366 -13.513 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.867 12.403 -12.961 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.215 13.486 -12.539 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.394 12.551 -11.267 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.067 10.074 -12.990 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.538 10.064 -11.274 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.550 9.233 -12.479 1.00 0.00 H new ATOM 116 N ARG A 8 -10.354 11.875 -12.096 1.00 0.00 N ATOM 117 CA ARG A 8 -11.519 12.555 -12.655 1.00 0.00 C ATOM 118 C ARG A 8 -11.658 13.944 -12.069 1.00 0.00 C ATOM 119 O ARG A 8 -11.200 14.202 -10.950 1.00 0.00 O ATOM 120 CB ARG A 8 -12.812 11.782 -12.346 1.00 0.00 C ATOM 121 CG ARG A 8 -13.015 10.592 -13.279 1.00 0.00 C ATOM 122 CD ARG A 8 -14.258 9.786 -12.900 1.00 0.00 C ATOM 123 NE ARG A 8 -13.983 8.911 -11.759 1.00 0.00 N ATOM 124 CZ ARG A 8 -14.869 8.156 -11.114 1.00 0.00 C ATOM 125 NH1 ARG A 8 -16.173 8.262 -11.325 1.00 0.00 N ATOM 126 NH2 ARG A 8 -14.427 7.291 -10.224 1.00 0.00 N ATOM 0 H ARG A 8 -10.579 11.021 -11.585 1.00 0.00 H new ATOM 0 HA ARG A 8 -11.369 12.612 -13.733 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -12.785 11.431 -11.314 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -13.664 12.456 -12.431 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -13.109 10.946 -14.306 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -12.137 9.947 -13.243 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -15.076 10.464 -12.655 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -14.583 9.189 -13.752 1.00 0.00 H new ATOM 0 HE ARG A 8 -13.019 8.877 -11.426 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -16.527 8.939 -12.001 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -16.823 7.666 -10.812 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -13.426 7.212 -10.043 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -15.085 6.701 -9.716 1.00 0.00 H new ATOM 140 N VAL A 9 -12.364 14.812 -12.798 1.00 0.00 N ATOM 141 CA VAL A 9 -12.828 16.070 -12.231 1.00 0.00 C ATOM 142 C VAL A 9 -13.633 15.708 -10.961 1.00 0.00 C ATOM 143 O VAL A 9 -14.295 14.661 -10.943 1.00 0.00 O ATOM 144 CB VAL A 9 -13.583 16.917 -13.277 1.00 0.00 C ATOM 145 CG1 VAL A 9 -12.631 17.340 -14.407 1.00 0.00 C ATOM 146 CG2 VAL A 9 -14.798 16.211 -13.889 1.00 0.00 C ATOM 0 H VAL A 9 -12.623 14.664 -13.774 1.00 0.00 H new ATOM 0 HA VAL A 9 -12.006 16.723 -11.938 1.00 0.00 H new ATOM 0 HB VAL A 9 -13.957 17.786 -12.736 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -13.176 17.937 -15.138 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.814 17.931 -13.993 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -12.226 16.452 -14.893 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -15.275 16.870 -14.614 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -14.475 15.297 -14.387 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -15.509 15.963 -13.101 1.00 0.00 H new ATOM 156 N PRO A 10 -13.610 16.525 -9.897 1.00 0.00 N ATOM 157 CA PRO A 10 -14.088 16.098 -8.584 1.00 0.00 C ATOM 158 C PRO A 10 -15.568 15.707 -8.565 1.00 0.00 C ATOM 159 O PRO A 10 -15.961 14.804 -7.824 1.00 0.00 O ATOM 160 CB PRO A 10 -13.760 17.253 -7.631 1.00 0.00 C ATOM 161 CG PRO A 10 -13.618 18.473 -8.543 1.00 0.00 C ATOM 162 CD PRO A 10 -13.112 17.890 -9.859 1.00 0.00 C ATOM 0 HA PRO A 10 -13.592 15.177 -8.276 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -14.551 17.397 -6.895 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -12.841 17.062 -7.077 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -14.570 18.987 -8.674 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.917 19.200 -8.132 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -13.478 18.465 -10.709 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -12.023 17.912 -9.905 1.00 0.00 H new ATOM 170 N GLU A 11 -16.399 16.340 -9.392 1.00 0.00 N ATOM 171 CA GLU A 11 -17.825 16.035 -9.466 1.00 0.00 C ATOM 172 C GLU A 11 -18.116 14.793 -10.317 1.00 0.00 C ATOM 173 O GLU A 11 -19.214 14.250 -10.214 1.00 0.00 O ATOM 174 CB GLU A 11 -18.583 17.247 -10.016 1.00 0.00 C ATOM 175 CG GLU A 11 -18.636 18.397 -8.999 1.00 0.00 C ATOM 176 CD GLU A 11 -19.438 19.593 -9.542 1.00 0.00 C ATOM 177 OE1 GLU A 11 -18.848 20.487 -10.191 1.00 0.00 O ATOM 178 OE2 GLU A 11 -20.667 19.666 -9.310 1.00 0.00 O ATOM 0 H GLU A 11 -16.101 17.079 -10.029 1.00 0.00 H new ATOM 0 HA GLU A 11 -18.167 15.812 -8.455 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -18.101 17.593 -10.931 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -19.597 16.951 -10.283 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -19.089 18.044 -8.072 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -17.623 18.717 -8.757 1.00 0.00 H new ATOM 185 N GLN A 12 -17.170 14.310 -11.134 1.00 0.00 N ATOM 186 CA GLN A 12 -17.313 13.036 -11.837 1.00 0.00 C ATOM 187 C GLN A 12 -16.791 11.916 -10.940 1.00 0.00 C ATOM 188 O GLN A 12 -17.316 10.807 -11.008 1.00 0.00 O ATOM 189 CB GLN A 12 -16.576 13.060 -13.191 1.00 0.00 C ATOM 190 CG GLN A 12 -17.297 13.899 -14.263 1.00 0.00 C ATOM 191 CD GLN A 12 -18.595 13.261 -14.765 1.00 0.00 C ATOM 192 OE1 GLN A 12 -19.692 13.751 -14.506 1.00 0.00 O ATOM 193 NE2 GLN A 12 -18.513 12.156 -15.489 1.00 0.00 N ATOM 0 H GLN A 12 -16.291 14.791 -11.323 1.00 0.00 H new ATOM 0 HA GLN A 12 -18.366 12.860 -12.055 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -15.572 13.458 -13.043 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -16.464 12.038 -13.554 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -17.520 14.884 -13.853 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -16.625 14.050 -15.108 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -17.601 11.752 -15.702 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -19.362 11.708 -15.834 1.00 0.00 H new ATOM 202 N TYR A 13 -15.791 12.189 -10.093 1.00 0.00 N ATOM 203 CA TYR A 13 -15.253 11.218 -9.146 1.00 0.00 C ATOM 204 C TYR A 13 -16.324 10.748 -8.160 1.00 0.00 C ATOM 205 O TYR A 13 -16.518 9.543 -7.992 1.00 0.00 O ATOM 206 CB TYR A 13 -14.024 11.803 -8.431 1.00 0.00 C ATOM 207 CG TYR A 13 -13.843 11.405 -6.973 1.00 0.00 C ATOM 208 CD1 TYR A 13 -13.489 10.087 -6.612 1.00 0.00 C ATOM 209 CD2 TYR A 13 -14.007 12.381 -5.971 1.00 0.00 C ATOM 210 CE1 TYR A 13 -13.265 9.768 -5.261 1.00 0.00 C ATOM 211 CE2 TYR A 13 -13.834 12.052 -4.616 1.00 0.00 C ATOM 212 CZ TYR A 13 -13.455 10.741 -4.254 1.00 0.00 C ATOM 213 OH TYR A 13 -13.247 10.437 -2.941 1.00 0.00 O ATOM 0 H TYR A 13 -15.332 13.099 -10.049 1.00 0.00 H new ATOM 0 HA TYR A 13 -14.931 10.334 -9.697 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -13.132 11.503 -8.981 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -14.081 12.890 -8.485 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -13.390 9.326 -7.372 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -14.268 13.392 -6.247 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -12.945 8.772 -4.991 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -13.991 12.800 -3.853 1.00 0.00 H new ATOM 0 HH TYR A 13 -13.425 11.228 -2.390 1.00 0.00 H new ATOM 223 N GLN A 14 -17.032 11.692 -7.529 1.00 0.00 N ATOM 224 CA GLN A 14 -17.928 11.396 -6.409 1.00 0.00 C ATOM 225 C GLN A 14 -19.085 10.465 -6.794 1.00 0.00 C ATOM 226 O GLN A 14 -19.645 9.801 -5.919 1.00 0.00 O ATOM 227 CB GLN A 14 -18.480 12.711 -5.831 1.00 0.00 C ATOM 228 CG GLN A 14 -17.422 13.481 -5.029 1.00 0.00 C ATOM 229 CD GLN A 14 -17.868 14.913 -4.742 1.00 0.00 C ATOM 230 OE1 GLN A 14 -18.576 15.190 -3.777 1.00 0.00 O ATOM 231 NE2 GLN A 14 -17.467 15.853 -5.584 1.00 0.00 N ATOM 0 H GLN A 14 -16.999 12.680 -7.781 1.00 0.00 H new ATOM 0 HA GLN A 14 -17.340 10.868 -5.658 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -18.845 13.338 -6.644 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -19.333 12.494 -5.189 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -17.229 12.964 -4.089 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -16.484 13.496 -5.583 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -16.879 15.607 -6.381 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -17.746 16.823 -5.436 1.00 0.00 H new ATOM 240 N GLN A 15 -19.457 10.420 -8.078 1.00 0.00 N ATOM 241 CA GLN A 15 -20.641 9.708 -8.538 1.00 0.00 C ATOM 242 C GLN A 15 -20.525 8.197 -8.296 1.00 0.00 C ATOM 243 O GLN A 15 -21.522 7.581 -7.926 1.00 0.00 O ATOM 244 CB GLN A 15 -20.891 10.026 -10.021 1.00 0.00 C ATOM 245 CG GLN A 15 -21.310 11.494 -10.231 1.00 0.00 C ATOM 246 CD GLN A 15 -21.432 11.866 -11.711 1.00 0.00 C ATOM 247 OE1 GLN A 15 -21.942 11.114 -12.538 1.00 0.00 O ATOM 248 NE2 GLN A 15 -20.952 13.041 -12.074 1.00 0.00 N ATOM 0 H GLN A 15 -18.939 10.881 -8.826 1.00 0.00 H new ATOM 0 HA GLN A 15 -21.498 10.049 -7.958 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -19.987 9.821 -10.594 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -21.669 9.368 -10.407 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -22.265 11.670 -9.736 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -20.579 12.148 -9.755 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -20.531 13.657 -11.378 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -21.002 13.333 -13.050 1.00 0.00 H new ATOM 257 N GLU A 16 -19.338 7.602 -8.472 1.00 0.00 N ATOM 258 CA GLU A 16 -19.056 6.186 -8.227 1.00 0.00 C ATOM 259 C GLU A 16 -17.553 5.977 -8.424 1.00 0.00 C ATOM 260 O GLU A 16 -17.008 6.487 -9.403 1.00 0.00 O ATOM 261 CB GLU A 16 -19.850 5.313 -9.223 1.00 0.00 C ATOM 262 CG GLU A 16 -19.661 3.814 -8.971 1.00 0.00 C ATOM 263 CD GLU A 16 -20.907 3.017 -9.389 1.00 0.00 C ATOM 264 OE1 GLU A 16 -21.896 3.017 -8.619 1.00 0.00 O ATOM 265 OE2 GLU A 16 -20.907 2.391 -10.473 1.00 0.00 O ATOM 0 H GLU A 16 -18.520 8.114 -8.801 1.00 0.00 H new ATOM 0 HA GLU A 16 -19.352 5.902 -7.217 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -20.909 5.559 -9.152 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -19.535 5.550 -10.239 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -18.794 3.456 -9.526 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -19.455 3.644 -7.914 1.00 0.00 H new ATOM 272 N HIS A 17 -16.862 5.238 -7.553 1.00 0.00 N ATOM 273 CA HIS A 17 -15.426 4.987 -7.682 1.00 0.00 C ATOM 274 C HIS A 17 -15.040 3.659 -7.028 1.00 0.00 C ATOM 275 O HIS A 17 -15.756 3.157 -6.161 1.00 0.00 O ATOM 276 CB HIS A 17 -14.636 6.163 -7.078 1.00 0.00 C ATOM 277 CG HIS A 17 -14.434 6.110 -5.584 1.00 0.00 C ATOM 278 ND1 HIS A 17 -15.394 5.916 -4.614 1.00 0.00 N ATOM 279 CD2 HIS A 17 -13.234 6.261 -4.943 1.00 0.00 C ATOM 280 CE1 HIS A 17 -14.784 5.973 -3.417 1.00 0.00 C ATOM 281 NE2 HIS A 17 -13.462 6.188 -3.563 1.00 0.00 N ATOM 0 H HIS A 17 -17.284 4.796 -6.737 1.00 0.00 H new ATOM 0 HA HIS A 17 -15.174 4.909 -8.740 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -13.658 6.206 -7.558 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -15.153 7.090 -7.325 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -16.389 5.758 -4.775 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -12.276 6.411 -5.419 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -15.286 5.862 -2.467 1.00 0.00 H new ATOM 289 N VAL A 18 -13.912 3.084 -7.437 1.00 0.00 N ATOM 290 CA VAL A 18 -13.361 1.884 -6.823 1.00 0.00 C ATOM 291 C VAL A 18 -12.916 2.275 -5.406 1.00 0.00 C ATOM 292 O VAL A 18 -12.126 3.205 -5.235 1.00 0.00 O ATOM 293 CB VAL A 18 -12.208 1.333 -7.694 1.00 0.00 C ATOM 294 CG1 VAL A 18 -11.667 0.007 -7.144 1.00 0.00 C ATOM 295 CG2 VAL A 18 -12.654 1.076 -9.146 1.00 0.00 C ATOM 0 H VAL A 18 -13.352 3.442 -8.210 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.093 1.079 -6.754 1.00 0.00 H new ATOM 0 HB VAL A 18 -11.433 2.099 -7.670 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.858 -0.349 -7.782 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.291 0.159 -6.132 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -12.467 -0.733 -7.126 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -11.813 0.690 -9.722 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -13.465 0.347 -9.154 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -13.000 2.009 -9.591 1.00 0.00 H new ATOM 305 N GLN A 19 -13.447 1.580 -4.396 1.00 0.00 N ATOM 306 CA GLN A 19 -13.052 1.734 -2.996 1.00 0.00 C ATOM 307 C GLN A 19 -11.549 1.472 -2.806 1.00 0.00 C ATOM 308 O GLN A 19 -10.930 0.762 -3.604 1.00 0.00 O ATOM 309 CB GLN A 19 -13.908 0.838 -2.072 1.00 0.00 C ATOM 310 CG GLN A 19 -13.799 -0.679 -2.306 1.00 0.00 C ATOM 311 CD GLN A 19 -14.473 -1.120 -3.604 1.00 0.00 C ATOM 312 OE1 GLN A 19 -15.690 -1.063 -3.742 1.00 0.00 O ATOM 313 NE2 GLN A 19 -13.702 -1.480 -4.616 1.00 0.00 N ATOM 0 H GLN A 19 -14.178 0.881 -4.533 1.00 0.00 H new ATOM 0 HA GLN A 19 -13.238 2.769 -2.711 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -13.630 1.046 -1.039 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -14.953 1.128 -2.185 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -12.747 -0.965 -2.331 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -14.253 -1.206 -1.467 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -12.690 -1.526 -4.495 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -14.119 -1.712 -5.517 1.00 0.00 H new ATOM 322 N GLY A 20 -10.979 1.988 -1.713 1.00 0.00 N ATOM 323 CA GLY A 20 -9.561 1.823 -1.405 1.00 0.00 C ATOM 324 C GLY A 20 -8.691 2.709 -2.299 1.00 0.00 C ATOM 325 O GLY A 20 -7.640 2.267 -2.767 1.00 0.00 O ATOM 0 H GLY A 20 -11.491 2.532 -1.018 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.383 2.072 -0.359 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.277 0.779 -1.537 1.00 0.00 H new ATOM 329 N ALA A 21 -9.146 3.937 -2.568 1.00 0.00 N ATOM 330 CA ALA A 21 -8.508 4.894 -3.463 1.00 0.00 C ATOM 331 C ALA A 21 -8.624 6.310 -2.887 1.00 0.00 C ATOM 332 O ALA A 21 -9.323 6.542 -1.896 1.00 0.00 O ATOM 333 CB ALA A 21 -9.189 4.817 -4.838 1.00 0.00 C ATOM 0 H ALA A 21 -10.002 4.301 -2.150 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.450 4.654 -3.568 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.720 5.529 -5.517 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.084 3.809 -5.240 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.247 5.058 -4.734 1.00 0.00 H new ATOM 339 N ILE A 22 -7.975 7.260 -3.556 1.00 0.00 N ATOM 340 CA ILE A 22 -8.098 8.701 -3.349 1.00 0.00 C ATOM 341 C ILE A 22 -8.449 9.298 -4.719 1.00 0.00 C ATOM 342 O ILE A 22 -8.252 8.633 -5.738 1.00 0.00 O ATOM 343 CB ILE A 22 -6.785 9.244 -2.722 1.00 0.00 C ATOM 344 CG1 ILE A 22 -6.934 10.704 -2.239 1.00 0.00 C ATOM 345 CG2 ILE A 22 -5.579 9.107 -3.671 1.00 0.00 C ATOM 346 CD1 ILE A 22 -5.732 11.212 -1.431 1.00 0.00 C ATOM 0 H ILE A 22 -7.313 7.033 -4.298 1.00 0.00 H new ATOM 0 HA ILE A 22 -8.882 8.978 -2.644 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.589 8.620 -1.850 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.078 11.351 -3.104 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -7.832 10.785 -1.627 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.687 9.501 -3.185 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.425 8.056 -3.914 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -5.771 9.667 -4.586 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.908 12.244 -1.126 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.599 10.590 -0.546 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.834 11.164 -2.046 1.00 0.00 H new ATOM 358 N ASN A 23 -8.931 10.541 -4.778 1.00 0.00 N ATOM 359 CA ASN A 23 -9.089 11.274 -6.033 1.00 0.00 C ATOM 360 C ASN A 23 -8.279 12.551 -5.946 1.00 0.00 C ATOM 361 O ASN A 23 -8.314 13.246 -4.928 1.00 0.00 O ATOM 362 CB ASN A 23 -10.557 11.575 -6.340 1.00 0.00 C ATOM 363 CG ASN A 23 -10.738 12.720 -7.341 1.00 0.00 C ATOM 364 OD1 ASN A 23 -10.971 13.854 -6.939 1.00 0.00 O ATOM 365 ND2 ASN A 23 -10.632 12.479 -8.638 1.00 0.00 N ATOM 0 H ASN A 23 -9.223 11.068 -3.955 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.725 10.656 -6.854 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -11.031 10.677 -6.735 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -11.072 11.826 -5.413 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -10.744 13.239 -9.309 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -10.438 11.533 -8.967 1.00 0.00 H new ATOM 372 N ILE A 24 -7.554 12.845 -7.019 1.00 0.00 N ATOM 373 CA ILE A 24 -6.732 14.030 -7.162 1.00 0.00 C ATOM 374 C ILE A 24 -6.978 14.478 -8.610 1.00 0.00 C ATOM 375 O ILE A 24 -6.359 13.919 -9.512 1.00 0.00 O ATOM 376 CB ILE A 24 -5.242 13.733 -6.850 1.00 0.00 C ATOM 377 CG1 ILE A 24 -5.023 12.932 -5.543 1.00 0.00 C ATOM 378 CG2 ILE A 24 -4.516 15.083 -6.767 1.00 0.00 C ATOM 379 CD1 ILE A 24 -3.554 12.591 -5.268 1.00 0.00 C ATOM 0 H ILE A 24 -7.525 12.240 -7.840 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.988 14.819 -6.455 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.847 13.101 -7.645 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.416 13.507 -4.705 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.598 12.007 -5.593 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.461 14.916 -6.548 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.611 15.606 -7.719 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.960 15.687 -5.975 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.479 12.030 -4.336 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.161 11.989 -6.087 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -2.976 13.512 -5.185 1.00 0.00 H new ATOM 391 N PRO A 25 -7.941 15.380 -8.867 1.00 0.00 N ATOM 392 CA PRO A 25 -8.369 15.721 -10.220 1.00 0.00 C ATOM 393 C PRO A 25 -7.220 16.161 -11.119 1.00 0.00 C ATOM 394 O PRO A 25 -6.301 16.827 -10.651 1.00 0.00 O ATOM 395 CB PRO A 25 -9.373 16.864 -10.054 1.00 0.00 C ATOM 396 CG PRO A 25 -9.943 16.643 -8.656 1.00 0.00 C ATOM 397 CD PRO A 25 -8.747 16.092 -7.887 1.00 0.00 C ATOM 0 HA PRO A 25 -8.797 14.845 -10.707 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -8.890 17.837 -10.140 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -10.152 16.826 -10.815 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -10.313 17.570 -8.219 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -10.776 15.941 -8.665 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -8.177 16.896 -7.422 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.070 15.425 -7.087 1.00 0.00 H new ATOM 405 N LEU A 26 -7.316 15.915 -12.429 1.00 0.00 N ATOM 406 CA LEU A 26 -6.323 16.374 -13.409 1.00 0.00 C ATOM 407 C LEU A 26 -6.118 17.901 -13.365 1.00 0.00 C ATOM 408 O LEU A 26 -5.021 18.385 -13.639 1.00 0.00 O ATOM 409 CB LEU A 26 -6.743 15.876 -14.804 1.00 0.00 C ATOM 410 CG LEU A 26 -5.837 16.300 -15.979 1.00 0.00 C ATOM 411 CD1 LEU A 26 -4.413 15.747 -15.847 1.00 0.00 C ATOM 412 CD2 LEU A 26 -6.437 15.782 -17.292 1.00 0.00 C ATOM 0 H LEU A 26 -8.087 15.390 -12.843 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.350 15.951 -13.158 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.787 14.787 -14.780 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.754 16.231 -15.005 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.782 17.389 -15.969 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.816 16.074 -16.698 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.963 16.116 -14.925 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.446 14.658 -15.824 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.800 16.079 -18.125 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.505 14.695 -17.257 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.433 16.204 -17.428 1.00 0.00 H new ATOM 424 N LYS A 27 -7.145 18.666 -12.975 1.00 0.00 N ATOM 425 CA LYS A 27 -7.061 20.114 -12.791 1.00 0.00 C ATOM 426 C LYS A 27 -6.214 20.511 -11.568 1.00 0.00 C ATOM 427 O LYS A 27 -5.698 21.626 -11.527 1.00 0.00 O ATOM 428 CB LYS A 27 -8.506 20.642 -12.683 1.00 0.00 C ATOM 429 CG LYS A 27 -8.667 22.168 -12.642 1.00 0.00 C ATOM 430 CD LYS A 27 -8.119 22.882 -13.887 1.00 0.00 C ATOM 431 CE LYS A 27 -8.433 24.382 -13.807 1.00 0.00 C ATOM 432 NZ LYS A 27 -7.933 25.126 -14.990 1.00 0.00 N ATOM 0 H LYS A 27 -8.071 18.287 -12.776 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.549 20.564 -13.642 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.075 20.260 -13.531 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.957 20.225 -11.782 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.724 22.410 -12.532 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.158 22.554 -11.759 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.042 22.730 -13.960 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.563 22.456 -14.787 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -9.511 24.521 -13.722 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.986 24.797 -12.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.168 26.134 -14.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.901 25.016 -15.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.379 24.749 -15.851 1.00 0.00 H new ATOM 446 N GLU A 28 -6.043 19.618 -10.589 1.00 0.00 N ATOM 447 CA GLU A 28 -5.473 19.910 -9.271 1.00 0.00 C ATOM 448 C GLU A 28 -4.161 19.144 -9.025 1.00 0.00 C ATOM 449 O GLU A 28 -3.332 19.581 -8.228 1.00 0.00 O ATOM 450 CB GLU A 28 -6.496 19.499 -8.190 1.00 0.00 C ATOM 451 CG GLU A 28 -7.859 20.218 -8.236 1.00 0.00 C ATOM 452 CD GLU A 28 -7.748 21.714 -7.889 1.00 0.00 C ATOM 453 OE1 GLU A 28 -7.546 22.054 -6.701 1.00 0.00 O ATOM 454 OE2 GLU A 28 -7.897 22.567 -8.791 1.00 0.00 O ATOM 0 H GLU A 28 -6.307 18.639 -10.696 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.253 20.977 -9.227 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.671 18.426 -8.274 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.049 19.673 -7.211 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.290 20.110 -9.231 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.544 19.736 -7.538 1.00 0.00 H new ATOM 461 N VAL A 29 -3.956 18.007 -9.700 1.00 0.00 N ATOM 462 CA VAL A 29 -2.892 17.040 -9.427 1.00 0.00 C ATOM 463 C VAL A 29 -1.492 17.659 -9.433 1.00 0.00 C ATOM 464 O VAL A 29 -0.672 17.298 -8.587 1.00 0.00 O ATOM 465 CB VAL A 29 -3.071 15.829 -10.377 1.00 0.00 C ATOM 466 CG1 VAL A 29 -2.813 16.175 -11.849 1.00 0.00 C ATOM 467 CG2 VAL A 29 -2.204 14.626 -9.995 1.00 0.00 C ATOM 0 H VAL A 29 -4.550 17.727 -10.480 1.00 0.00 H new ATOM 0 HA VAL A 29 -2.984 16.679 -8.403 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.119 15.556 -10.257 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.955 15.285 -12.462 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.510 16.950 -12.168 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.791 16.536 -11.964 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.378 13.814 -10.701 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.153 14.912 -10.023 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.464 14.295 -8.989 1.00 0.00 H new ATOM 477 N LYS A 30 -1.229 18.642 -10.301 1.00 0.00 N ATOM 478 CA LYS A 30 0.076 19.302 -10.395 1.00 0.00 C ATOM 479 C LYS A 30 0.474 20.017 -9.099 1.00 0.00 C ATOM 480 O LYS A 30 1.656 20.300 -8.909 1.00 0.00 O ATOM 481 CB LYS A 30 0.090 20.285 -11.579 1.00 0.00 C ATOM 482 CG LYS A 30 -0.062 19.563 -12.929 1.00 0.00 C ATOM 483 CD LYS A 30 0.079 20.502 -14.138 1.00 0.00 C ATOM 484 CE LYS A 30 -1.055 21.536 -14.208 1.00 0.00 C ATOM 485 NZ LYS A 30 -0.938 22.415 -15.399 1.00 0.00 N ATOM 0 H LYS A 30 -1.919 19.003 -10.960 1.00 0.00 H new ATOM 0 HA LYS A 30 0.818 18.521 -10.562 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.718 21.007 -11.461 1.00 0.00 H new ATOM 0 HB3 LYS A 30 1.023 20.848 -11.572 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.689 18.776 -12.999 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.037 19.078 -12.966 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.037 21.019 -14.084 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.087 19.912 -15.055 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -2.015 21.020 -14.232 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -1.044 22.147 -13.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.723 23.097 -15.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -0.034 22.928 -15.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.974 21.836 -16.262 1.00 0.00 H new ATOM 499 N GLU A 31 -0.478 20.294 -8.205 1.00 0.00 N ATOM 500 CA GLU A 31 -0.252 20.988 -6.941 1.00 0.00 C ATOM 501 C GLU A 31 -0.419 20.042 -5.745 1.00 0.00 C ATOM 502 O GLU A 31 -0.374 20.502 -4.600 1.00 0.00 O ATOM 503 CB GLU A 31 -1.233 22.169 -6.825 1.00 0.00 C ATOM 504 CG GLU A 31 -1.045 23.212 -7.937 1.00 0.00 C ATOM 505 CD GLU A 31 -1.929 24.450 -7.706 1.00 0.00 C ATOM 506 OE1 GLU A 31 -1.488 25.400 -7.018 1.00 0.00 O ATOM 507 OE2 GLU A 31 -3.066 24.503 -8.228 1.00 0.00 O ATOM 0 H GLU A 31 -1.454 20.033 -8.347 1.00 0.00 H new ATOM 0 HA GLU A 31 0.773 21.358 -6.928 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.255 21.791 -6.857 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.102 22.650 -5.856 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.001 23.514 -7.980 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.288 22.765 -8.901 1.00 0.00 H new ATOM 514 N ARG A 32 -0.652 18.738 -5.964 1.00 0.00 N ATOM 515 CA ARG A 32 -1.065 17.832 -4.887 1.00 0.00 C ATOM 516 C ARG A 32 -0.459 16.434 -4.956 1.00 0.00 C ATOM 517 O ARG A 32 -0.393 15.771 -3.921 1.00 0.00 O ATOM 518 CB ARG A 32 -2.608 17.757 -4.880 1.00 0.00 C ATOM 519 CG ARG A 32 -3.223 17.556 -3.484 1.00 0.00 C ATOM 520 CD ARG A 32 -3.492 18.871 -2.732 1.00 0.00 C ATOM 521 NE ARG A 32 -2.289 19.717 -2.640 1.00 0.00 N ATOM 522 CZ ARG A 32 -1.645 20.141 -1.549 1.00 0.00 C ATOM 523 NH1 ARG A 32 -2.105 19.891 -0.325 1.00 0.00 N ATOM 524 NH2 ARG A 32 -0.528 20.839 -1.724 1.00 0.00 N ATOM 0 H ARG A 32 -0.561 18.291 -6.876 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.681 18.249 -3.956 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.007 18.675 -5.312 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -2.924 16.937 -5.525 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -4.159 17.007 -3.585 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -2.553 16.937 -2.887 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -4.284 19.422 -3.240 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -3.853 18.646 -1.729 1.00 0.00 H new ATOM 0 HE ARG A 32 -1.894 20.020 -3.530 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.970 19.364 -0.203 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -1.593 20.227 0.491 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.191 21.034 -2.667 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -0.008 21.180 -0.916 1.00 0.00 H new ATOM 538 N ILE A 33 0.007 15.967 -6.117 1.00 0.00 N ATOM 539 CA ILE A 33 0.576 14.624 -6.209 1.00 0.00 C ATOM 540 C ILE A 33 1.826 14.497 -5.331 1.00 0.00 C ATOM 541 O ILE A 33 1.999 13.469 -4.681 1.00 0.00 O ATOM 542 CB ILE A 33 0.801 14.221 -7.684 1.00 0.00 C ATOM 543 CG1 ILE A 33 1.183 12.732 -7.844 1.00 0.00 C ATOM 544 CG2 ILE A 33 1.820 15.115 -8.421 1.00 0.00 C ATOM 545 CD1 ILE A 33 0.130 11.745 -7.320 1.00 0.00 C ATOM 0 H ILE A 33 0.002 16.491 -6.992 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.139 13.904 -5.810 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.168 14.378 -8.158 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.361 12.527 -8.900 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.123 12.553 -7.321 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.927 14.773 -9.450 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.469 16.147 -8.416 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.785 15.058 -7.918 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.480 10.724 -7.472 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.033 11.918 -6.256 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.806 11.892 -7.859 1.00 0.00 H new ATOM 557 N ALA A 34 2.645 15.553 -5.236 1.00 0.00 N ATOM 558 CA ALA A 34 3.850 15.546 -4.414 1.00 0.00 C ATOM 559 C ALA A 34 3.521 15.344 -2.931 1.00 0.00 C ATOM 560 O ALA A 34 4.234 14.617 -2.241 1.00 0.00 O ATOM 561 CB ALA A 34 4.624 16.853 -4.622 1.00 0.00 C ATOM 0 H ALA A 34 2.486 16.432 -5.728 1.00 0.00 H new ATOM 0 HA ALA A 34 4.471 14.706 -4.725 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.524 16.845 -4.007 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.903 16.948 -5.671 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.996 17.697 -4.336 1.00 0.00 H new ATOM 567 N THR A 35 2.452 15.968 -2.430 1.00 0.00 N ATOM 568 CA THR A 35 2.023 15.813 -1.045 1.00 0.00 C ATOM 569 C THR A 35 1.359 14.446 -0.821 1.00 0.00 C ATOM 570 O THR A 35 1.570 13.831 0.227 1.00 0.00 O ATOM 571 CB THR A 35 1.099 16.988 -0.658 1.00 0.00 C ATOM 572 OG1 THR A 35 0.310 17.435 -1.748 1.00 0.00 O ATOM 573 CG2 THR A 35 1.925 18.197 -0.210 1.00 0.00 C ATOM 0 H THR A 35 1.862 16.595 -2.977 1.00 0.00 H new ATOM 0 HA THR A 35 2.894 15.840 -0.390 1.00 0.00 H new ATOM 0 HB THR A 35 0.460 16.610 0.140 1.00 0.00 H new ATOM 0 HG1 THR A 35 0.055 16.669 -2.303 1.00 0.00 H new ATOM 0 HG21 THR A 35 1.257 19.015 0.059 1.00 0.00 H new ATOM 0 HG22 THR A 35 2.530 17.924 0.655 1.00 0.00 H new ATOM 0 HG23 THR A 35 2.577 18.514 -1.024 1.00 0.00 H new ATOM 581 N ALA A 36 0.577 13.952 -1.790 1.00 0.00 N ATOM 582 CA ALA A 36 -0.151 12.695 -1.654 1.00 0.00 C ATOM 583 C ALA A 36 0.780 11.480 -1.750 1.00 0.00 C ATOM 584 O ALA A 36 0.597 10.508 -1.015 1.00 0.00 O ATOM 585 CB ALA A 36 -1.227 12.616 -2.740 1.00 0.00 C ATOM 0 H ALA A 36 0.435 14.416 -2.687 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.611 12.675 -0.666 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.774 11.678 -2.643 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.918 13.452 -2.629 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.757 12.661 -3.722 1.00 0.00 H new ATOM 591 N VAL A 37 1.766 11.530 -2.648 1.00 0.00 N ATOM 592 CA VAL A 37 2.661 10.431 -2.985 1.00 0.00 C ATOM 593 C VAL A 37 4.057 11.048 -3.183 1.00 0.00 C ATOM 594 O VAL A 37 4.445 11.347 -4.314 1.00 0.00 O ATOM 595 CB VAL A 37 2.148 9.660 -4.231 1.00 0.00 C ATOM 596 CG1 VAL A 37 2.977 8.385 -4.450 1.00 0.00 C ATOM 597 CG2 VAL A 37 0.671 9.233 -4.133 1.00 0.00 C ATOM 0 H VAL A 37 1.968 12.376 -3.181 1.00 0.00 H new ATOM 0 HA VAL A 37 2.704 9.685 -2.192 1.00 0.00 H new ATOM 0 HB VAL A 37 2.250 10.360 -5.061 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.605 7.855 -5.327 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.022 8.653 -4.604 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.892 7.741 -3.575 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.385 8.700 -5.040 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.538 8.580 -3.271 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.044 10.117 -4.019 1.00 0.00 H new ATOM 607 N PRO A 38 4.818 11.306 -2.104 1.00 0.00 N ATOM 608 CA PRO A 38 6.137 11.921 -2.220 1.00 0.00 C ATOM 609 C PRO A 38 7.166 10.974 -2.853 1.00 0.00 C ATOM 610 O PRO A 38 8.139 11.439 -3.450 1.00 0.00 O ATOM 611 CB PRO A 38 6.526 12.320 -0.792 1.00 0.00 C ATOM 612 CG PRO A 38 5.746 11.343 0.087 1.00 0.00 C ATOM 613 CD PRO A 38 4.462 11.103 -0.707 1.00 0.00 C ATOM 0 HA PRO A 38 6.114 12.785 -2.885 1.00 0.00 H new ATOM 0 HB2 PRO A 38 7.600 12.232 -0.631 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.255 13.354 -0.578 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.299 10.417 0.248 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.538 11.765 1.070 1.00 0.00 H new ATOM 0 HD2 PRO A 38 4.083 10.094 -0.542 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.677 11.793 -0.399 1.00 0.00 H new ATOM 621 N ASP A 39 6.977 9.655 -2.725 1.00 0.00 N ATOM 622 CA ASP A 39 7.895 8.656 -3.261 1.00 0.00 C ATOM 623 C ASP A 39 7.578 8.383 -4.732 1.00 0.00 C ATOM 624 O ASP A 39 6.621 7.675 -5.051 1.00 0.00 O ATOM 625 CB ASP A 39 7.827 7.358 -2.447 1.00 0.00 C ATOM 626 CG ASP A 39 8.725 6.266 -3.054 1.00 0.00 C ATOM 627 OD1 ASP A 39 9.668 6.597 -3.809 1.00 0.00 O ATOM 628 OD2 ASP A 39 8.501 5.073 -2.749 1.00 0.00 O ATOM 0 H ASP A 39 6.174 9.253 -2.241 1.00 0.00 H new ATOM 0 HA ASP A 39 8.910 9.048 -3.188 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.135 7.555 -1.420 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.797 7.004 -2.409 1.00 0.00 H new ATOM 633 N LYS A 40 8.387 8.933 -5.642 1.00 0.00 N ATOM 634 CA LYS A 40 8.191 8.769 -7.083 1.00 0.00 C ATOM 635 C LYS A 40 8.371 7.322 -7.559 1.00 0.00 C ATOM 636 O LYS A 40 7.965 7.013 -8.681 1.00 0.00 O ATOM 637 CB LYS A 40 9.100 9.734 -7.865 1.00 0.00 C ATOM 638 CG LYS A 40 8.761 11.201 -7.553 1.00 0.00 C ATOM 639 CD LYS A 40 9.565 12.178 -8.419 1.00 0.00 C ATOM 640 CE LYS A 40 9.234 13.618 -8.002 1.00 0.00 C ATOM 641 NZ LYS A 40 9.967 14.619 -8.814 1.00 0.00 N ATOM 0 H LYS A 40 9.196 9.504 -5.399 1.00 0.00 H new ATOM 0 HA LYS A 40 7.151 9.021 -7.288 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.142 9.538 -7.614 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.991 9.553 -8.934 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.696 11.368 -7.713 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.960 11.402 -6.500 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.632 11.990 -8.304 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.327 12.029 -9.472 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.162 13.786 -8.102 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.481 13.755 -6.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.687 15.577 -8.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.990 14.499 -8.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.738 14.485 -9.820 1.00 0.00 H new ATOM 655 N ASN A 41 8.953 6.431 -6.745 1.00 0.00 N ATOM 656 CA ASN A 41 9.045 5.007 -7.068 1.00 0.00 C ATOM 657 C ASN A 41 7.678 4.311 -6.971 1.00 0.00 C ATOM 658 O ASN A 41 7.521 3.207 -7.491 1.00 0.00 O ATOM 659 CB ASN A 41 10.050 4.320 -6.129 1.00 0.00 C ATOM 660 CG ASN A 41 10.238 2.837 -6.444 1.00 0.00 C ATOM 661 OD1 ASN A 41 10.801 2.472 -7.472 1.00 0.00 O ATOM 662 ND2 ASN A 41 9.813 1.952 -5.556 1.00 0.00 N ATOM 0 H ASN A 41 9.371 6.679 -5.848 1.00 0.00 H new ATOM 0 HA ASN A 41 9.389 4.922 -8.099 1.00 0.00 H new ATOM 0 HB2 ASN A 41 11.012 4.827 -6.201 1.00 0.00 H new ATOM 0 HB3 ASN A 41 9.710 4.427 -5.099 1.00 0.00 H new ATOM 0 HD21 ASN A 41 9.952 0.955 -5.722 1.00 0.00 H new ATOM 0 HD22 ASN A 41 9.346 2.267 -4.705 1.00 0.00 H new ATOM 669 N ASP A 42 6.694 4.911 -6.290 1.00 0.00 N ATOM 670 CA ASP A 42 5.392 4.285 -6.060 1.00 0.00 C ATOM 671 C ASP A 42 4.657 4.018 -7.374 1.00 0.00 C ATOM 672 O ASP A 42 4.698 4.828 -8.306 1.00 0.00 O ATOM 673 CB ASP A 42 4.518 5.162 -5.167 1.00 0.00 C ATOM 674 CG ASP A 42 3.231 4.421 -4.785 1.00 0.00 C ATOM 675 OD1 ASP A 42 3.282 3.632 -3.817 1.00 0.00 O ATOM 676 OD2 ASP A 42 2.193 4.618 -5.451 1.00 0.00 O ATOM 0 H ASP A 42 6.781 5.843 -5.885 1.00 0.00 H new ATOM 0 HA ASP A 42 5.580 3.333 -5.564 1.00 0.00 H new ATOM 0 HB2 ASP A 42 5.068 5.437 -4.267 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.271 6.088 -5.686 1.00 0.00 H new ATOM 681 N THR A 43 3.969 2.883 -7.438 1.00 0.00 N ATOM 682 CA THR A 43 3.208 2.455 -8.600 1.00 0.00 C ATOM 683 C THR A 43 1.831 3.130 -8.550 1.00 0.00 C ATOM 684 O THR A 43 0.861 2.554 -8.051 1.00 0.00 O ATOM 685 CB THR A 43 3.132 0.916 -8.672 1.00 0.00 C ATOM 686 OG1 THR A 43 4.364 0.317 -8.311 1.00 0.00 O ATOM 687 CG2 THR A 43 2.752 0.433 -10.075 1.00 0.00 C ATOM 0 H THR A 43 3.926 2.221 -6.663 1.00 0.00 H new ATOM 0 HA THR A 43 3.704 2.764 -9.520 1.00 0.00 H new ATOM 0 HB THR A 43 2.359 0.617 -7.964 1.00 0.00 H new ATOM 0 HG1 THR A 43 4.282 -0.658 -8.365 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.709 -0.656 -10.086 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.777 0.838 -10.348 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.499 0.773 -10.792 1.00 0.00 H new ATOM 695 N VAL A 44 1.754 4.382 -9.005 1.00 0.00 N ATOM 696 CA VAL A 44 0.511 5.144 -9.019 1.00 0.00 C ATOM 697 C VAL A 44 -0.415 4.519 -10.075 1.00 0.00 C ATOM 698 O VAL A 44 -0.247 4.740 -11.277 1.00 0.00 O ATOM 699 CB VAL A 44 0.776 6.649 -9.265 1.00 0.00 C ATOM 700 CG1 VAL A 44 -0.437 7.478 -8.825 1.00 0.00 C ATOM 701 CG2 VAL A 44 2.011 7.191 -8.521 1.00 0.00 C ATOM 0 H VAL A 44 2.555 4.894 -9.374 1.00 0.00 H new ATOM 0 HA VAL A 44 0.021 5.094 -8.047 1.00 0.00 H new ATOM 0 HB VAL A 44 0.961 6.741 -10.335 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.239 8.535 -9.003 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.313 7.172 -9.396 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.622 7.317 -7.763 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.133 8.251 -8.742 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.877 7.057 -7.448 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.899 6.649 -8.846 1.00 0.00 H new ATOM 711 N LYS A 45 -1.377 3.701 -9.646 1.00 0.00 N ATOM 712 CA LYS A 45 -2.432 3.208 -10.523 1.00 0.00 C ATOM 713 C LYS A 45 -3.402 4.364 -10.721 1.00 0.00 C ATOM 714 O LYS A 45 -3.833 4.963 -9.731 1.00 0.00 O ATOM 715 CB LYS A 45 -3.137 1.997 -9.887 1.00 0.00 C ATOM 716 CG LYS A 45 -2.192 0.793 -9.750 1.00 0.00 C ATOM 717 CD LYS A 45 -2.918 -0.421 -9.158 1.00 0.00 C ATOM 718 CE LYS A 45 -1.943 -1.603 -9.051 1.00 0.00 C ATOM 719 NZ LYS A 45 -2.596 -2.831 -8.530 1.00 0.00 N ATOM 0 H LYS A 45 -1.444 3.365 -8.685 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.030 2.872 -11.479 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.518 2.273 -8.904 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.997 1.717 -10.495 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.785 0.535 -10.727 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.348 1.061 -9.114 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.316 -0.175 -8.174 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.766 -0.692 -9.786 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.518 -1.810 -10.033 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.115 -1.329 -8.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.897 -3.600 -8.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.979 -2.645 -7.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.369 -3.110 -9.167 1.00 0.00 H new ATOM 733 N VAL A 46 -3.767 4.667 -11.965 1.00 0.00 N ATOM 734 CA VAL A 46 -4.659 5.778 -12.274 1.00 0.00 C ATOM 735 C VAL A 46 -5.785 5.290 -13.184 1.00 0.00 C ATOM 736 O VAL A 46 -5.547 4.508 -14.106 1.00 0.00 O ATOM 737 CB VAL A 46 -3.861 6.983 -12.834 1.00 0.00 C ATOM 738 CG1 VAL A 46 -2.939 7.601 -11.772 1.00 0.00 C ATOM 739 CG2 VAL A 46 -2.993 6.674 -14.064 1.00 0.00 C ATOM 0 H VAL A 46 -3.452 4.149 -12.785 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.134 6.149 -11.366 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.644 7.677 -13.138 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.398 8.442 -12.205 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.537 7.949 -10.929 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.227 6.851 -11.427 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.475 7.579 -14.380 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.261 5.907 -13.810 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.626 6.316 -14.876 1.00 0.00 H new ATOM 749 N TYR A 47 -7.016 5.736 -12.938 1.00 0.00 N ATOM 750 CA TYR A 47 -8.197 5.389 -13.726 1.00 0.00 C ATOM 751 C TYR A 47 -9.216 6.523 -13.598 1.00 0.00 C ATOM 752 O TYR A 47 -9.202 7.240 -12.593 1.00 0.00 O ATOM 753 CB TYR A 47 -8.804 4.063 -13.236 1.00 0.00 C ATOM 754 CG TYR A 47 -9.561 4.160 -11.921 1.00 0.00 C ATOM 755 CD1 TYR A 47 -8.860 4.270 -10.703 1.00 0.00 C ATOM 756 CD2 TYR A 47 -10.970 4.213 -11.926 1.00 0.00 C ATOM 757 CE1 TYR A 47 -9.558 4.453 -9.497 1.00 0.00 C ATOM 758 CE2 TYR A 47 -11.674 4.395 -10.724 1.00 0.00 C ATOM 759 CZ TYR A 47 -10.970 4.527 -9.507 1.00 0.00 C ATOM 760 OH TYR A 47 -11.665 4.722 -8.352 1.00 0.00 O ATOM 0 H TYR A 47 -7.225 6.366 -12.164 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.917 5.259 -14.771 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.480 3.683 -14.002 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -8.004 3.331 -13.126 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -7.782 4.213 -10.697 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -11.509 4.113 -12.856 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -9.018 4.537 -8.566 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -12.753 4.434 -10.731 1.00 0.00 H new ATOM 0 HH TYR A 47 -11.514 5.635 -8.030 1.00 0.00 H new ATOM 770 N CYS A 48 -10.076 6.682 -14.612 1.00 0.00 N ATOM 771 CA CYS A 48 -11.102 7.723 -14.712 1.00 0.00 C ATOM 772 C CYS A 48 -12.241 7.240 -15.615 1.00 0.00 C ATOM 773 O CYS A 48 -12.218 6.110 -16.109 1.00 0.00 O ATOM 774 CB CYS A 48 -10.511 9.004 -15.340 1.00 0.00 C ATOM 775 SG CYS A 48 -9.127 9.625 -14.364 1.00 0.00 S ATOM 0 H CYS A 48 -10.074 6.060 -15.420 1.00 0.00 H new ATOM 0 HA CYS A 48 -11.469 7.935 -13.708 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -10.178 8.794 -16.357 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -11.284 9.769 -15.409 1.00 0.00 H new ATOM 0 HG CYS A 48 -8.906 8.823 -13.365 1.00 0.00 H new ATOM 781 N ASN A 49 -13.208 8.116 -15.907 1.00 0.00 N ATOM 782 CA ASN A 49 -14.197 7.871 -16.952 1.00 0.00 C ATOM 783 C ASN A 49 -13.454 7.746 -18.285 1.00 0.00 C ATOM 784 O ASN A 49 -12.656 8.626 -18.622 1.00 0.00 O ATOM 785 CB ASN A 49 -15.215 9.018 -17.020 1.00 0.00 C ATOM 786 CG ASN A 49 -16.200 8.776 -18.161 1.00 0.00 C ATOM 787 OD1 ASN A 49 -16.158 9.443 -19.189 1.00 0.00 O ATOM 788 ND2 ASN A 49 -17.076 7.794 -18.021 1.00 0.00 N ATOM 0 H ASN A 49 -13.324 9.008 -15.427 1.00 0.00 H new ATOM 0 HA ASN A 49 -14.746 6.955 -16.733 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -15.753 9.094 -16.075 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -14.698 9.966 -17.170 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -17.730 7.582 -18.775 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -17.098 7.249 -17.159 1.00 0.00 H new ATOM 795 N ALA A 50 -13.670 6.634 -19.000 1.00 0.00 N ATOM 796 CA ALA A 50 -12.924 6.220 -20.195 1.00 0.00 C ATOM 797 C ALA A 50 -11.390 6.295 -20.040 1.00 0.00 C ATOM 798 O ALA A 50 -10.667 6.320 -21.038 1.00 0.00 O ATOM 799 CB ALA A 50 -13.441 7.008 -21.407 1.00 0.00 C ATOM 0 H ALA A 50 -14.402 5.969 -18.750 1.00 0.00 H new ATOM 0 HA ALA A 50 -13.112 5.158 -20.352 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -12.892 6.706 -22.299 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -14.502 6.804 -21.548 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -13.297 8.075 -21.236 1.00 0.00 H new ATOM 805 N GLY A 51 -10.874 6.364 -18.810 1.00 0.00 N ATOM 806 CA GLY A 51 -9.462 6.552 -18.512 1.00 0.00 C ATOM 807 C GLY A 51 -8.843 7.860 -19.026 1.00 0.00 C ATOM 808 O GLY A 51 -7.620 7.967 -18.985 1.00 0.00 O ATOM 0 H GLY A 51 -11.450 6.288 -17.972 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.328 6.508 -17.431 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.905 5.716 -18.936 1.00 0.00 H new ATOM 812 N ARG A 52 -9.600 8.856 -19.517 1.00 0.00 N ATOM 813 CA ARG A 52 -8.978 10.005 -20.206 1.00 0.00 C ATOM 814 C ARG A 52 -8.209 10.922 -19.287 1.00 0.00 C ATOM 815 O ARG A 52 -7.121 11.337 -19.674 1.00 0.00 O ATOM 816 CB ARG A 52 -9.984 10.816 -21.044 1.00 0.00 C ATOM 817 CG ARG A 52 -10.651 10.085 -22.222 1.00 0.00 C ATOM 818 CD ARG A 52 -9.669 9.424 -23.201 1.00 0.00 C ATOM 819 NE ARG A 52 -9.291 8.078 -22.739 1.00 0.00 N ATOM 820 CZ ARG A 52 -8.121 7.452 -22.880 1.00 0.00 C ATOM 821 NH1 ARG A 52 -7.109 8.017 -23.535 1.00 0.00 N ATOM 822 NH2 ARG A 52 -7.992 6.246 -22.341 1.00 0.00 N ATOM 0 H ARG A 52 -10.617 8.893 -19.454 1.00 0.00 H new ATOM 0 HA ARG A 52 -8.257 9.550 -20.885 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -10.769 11.176 -20.379 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -9.471 11.694 -21.435 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -11.320 9.320 -21.827 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -11.269 10.796 -22.771 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -10.124 9.359 -24.190 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.777 10.042 -23.300 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.017 7.557 -22.248 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.220 8.946 -23.941 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -6.223 7.521 -23.631 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -8.774 5.826 -21.838 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -7.111 5.739 -22.430 1.00 0.00 H new ATOM 836 N GLN A 53 -8.730 11.276 -18.116 1.00 0.00 N ATOM 837 CA GLN A 53 -7.995 12.165 -17.219 1.00 0.00 C ATOM 838 C GLN A 53 -6.753 11.436 -16.680 1.00 0.00 C ATOM 839 O GLN A 53 -5.722 12.067 -16.459 1.00 0.00 O ATOM 840 CB GLN A 53 -8.872 12.738 -16.086 1.00 0.00 C ATOM 841 CG GLN A 53 -10.009 13.684 -16.507 1.00 0.00 C ATOM 842 CD GLN A 53 -11.285 12.926 -16.875 1.00 0.00 C ATOM 843 OE1 GLN A 53 -12.120 12.641 -16.024 1.00 0.00 O ATOM 844 NE2 GLN A 53 -11.454 12.552 -18.131 1.00 0.00 N ATOM 0 H GLN A 53 -9.639 10.969 -17.770 1.00 0.00 H new ATOM 0 HA GLN A 53 -7.673 13.033 -17.794 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.309 11.903 -15.538 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -8.224 13.272 -15.391 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.222 14.377 -15.694 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.685 14.282 -17.359 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -10.755 12.793 -18.833 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -12.284 12.022 -18.398 1.00 0.00 H new ATOM 853 N SER A 54 -6.814 10.109 -16.530 1.00 0.00 N ATOM 854 CA SER A 54 -5.706 9.296 -16.035 1.00 0.00 C ATOM 855 C SER A 54 -4.629 9.084 -17.099 1.00 0.00 C ATOM 856 O SER A 54 -3.445 9.194 -16.788 1.00 0.00 O ATOM 857 CB SER A 54 -6.231 7.960 -15.494 1.00 0.00 C ATOM 858 OG SER A 54 -7.426 7.540 -16.131 1.00 0.00 O ATOM 0 H SER A 54 -7.647 9.565 -16.753 1.00 0.00 H new ATOM 0 HA SER A 54 -5.231 9.839 -15.218 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.466 7.194 -15.626 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.409 8.052 -14.423 1.00 0.00 H new ATOM 0 HG SER A 54 -8.190 8.008 -15.734 1.00 0.00 H new ATOM 864 N GLY A 55 -5.008 8.835 -18.356 1.00 0.00 N ATOM 865 CA GLY A 55 -4.063 8.727 -19.461 1.00 0.00 C ATOM 866 C GLY A 55 -3.368 10.067 -19.683 1.00 0.00 C ATOM 867 O GLY A 55 -2.147 10.117 -19.829 1.00 0.00 O ATOM 0 H GLY A 55 -5.981 8.703 -18.632 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.324 7.956 -19.245 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -4.585 8.423 -20.369 1.00 0.00 H new ATOM 871 N GLN A 56 -4.134 11.160 -19.614 1.00 0.00 N ATOM 872 CA GLN A 56 -3.605 12.516 -19.625 1.00 0.00 C ATOM 873 C GLN A 56 -2.609 12.725 -18.474 1.00 0.00 C ATOM 874 O GLN A 56 -1.511 13.239 -18.695 1.00 0.00 O ATOM 875 CB GLN A 56 -4.786 13.502 -19.576 1.00 0.00 C ATOM 876 CG GLN A 56 -5.284 13.810 -20.995 1.00 0.00 C ATOM 877 CD GLN A 56 -6.544 14.671 -20.971 1.00 0.00 C ATOM 878 OE1 GLN A 56 -6.513 15.874 -21.220 1.00 0.00 O ATOM 879 NE2 GLN A 56 -7.679 14.064 -20.668 1.00 0.00 N ATOM 0 H GLN A 56 -5.151 11.121 -19.548 1.00 0.00 H new ATOM 0 HA GLN A 56 -3.044 12.696 -20.542 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -5.597 13.079 -18.983 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -4.478 14.424 -19.083 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -4.501 14.324 -21.553 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.489 12.877 -21.520 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -7.684 13.065 -20.464 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -8.549 14.595 -20.638 1.00 0.00 H new ATOM 888 N ALA A 57 -2.946 12.289 -17.255 1.00 0.00 N ATOM 889 CA ALA A 57 -2.062 12.420 -16.104 1.00 0.00 C ATOM 890 C ALA A 57 -0.800 11.562 -16.227 1.00 0.00 C ATOM 891 O ALA A 57 0.255 11.979 -15.759 1.00 0.00 O ATOM 892 CB ALA A 57 -2.814 12.076 -14.820 1.00 0.00 C ATOM 0 H ALA A 57 -3.836 11.838 -17.045 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.736 13.459 -16.069 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.143 12.178 -13.967 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.659 12.755 -14.700 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.178 11.050 -14.875 1.00 0.00 H new ATOM 898 N LYS A 58 -0.859 10.384 -16.857 1.00 0.00 N ATOM 899 CA LYS A 58 0.322 9.535 -17.024 1.00 0.00 C ATOM 900 C LYS A 58 1.442 10.308 -17.725 1.00 0.00 C ATOM 901 O LYS A 58 2.606 10.154 -17.353 1.00 0.00 O ATOM 902 CB LYS A 58 -0.064 8.239 -17.761 1.00 0.00 C ATOM 903 CG LYS A 58 1.083 7.216 -17.800 1.00 0.00 C ATOM 904 CD LYS A 58 0.655 5.921 -18.506 1.00 0.00 C ATOM 905 CE LYS A 58 1.850 4.962 -18.618 1.00 0.00 C ATOM 906 NZ LYS A 58 1.519 3.729 -19.374 1.00 0.00 N ATOM 0 H LYS A 58 -1.713 9.998 -17.259 1.00 0.00 H new ATOM 0 HA LYS A 58 0.709 9.246 -16.047 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.929 7.791 -17.271 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.365 8.481 -18.780 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.940 7.648 -18.317 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.405 6.989 -16.784 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.153 5.445 -17.951 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.268 6.150 -19.499 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.678 5.474 -19.108 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.190 4.691 -17.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.396 3.231 -19.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.926 3.109 -18.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 1.002 3.981 -20.240 1.00 0.00 H new ATOM 920 N GLU A 59 1.105 11.170 -18.689 1.00 0.00 N ATOM 921 CA GLU A 59 2.089 11.979 -19.395 1.00 0.00 C ATOM 922 C GLU A 59 2.754 12.975 -18.438 1.00 0.00 C ATOM 923 O GLU A 59 3.979 12.962 -18.308 1.00 0.00 O ATOM 924 CB GLU A 59 1.450 12.705 -20.591 1.00 0.00 C ATOM 925 CG GLU A 59 0.906 11.731 -21.647 1.00 0.00 C ATOM 926 CD GLU A 59 0.396 12.475 -22.894 1.00 0.00 C ATOM 927 OE1 GLU A 59 -0.787 12.882 -22.932 1.00 0.00 O ATOM 928 OE2 GLU A 59 1.170 12.643 -23.865 1.00 0.00 O ATOM 0 H GLU A 59 0.145 11.323 -18.997 1.00 0.00 H new ATOM 0 HA GLU A 59 2.860 11.314 -19.784 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.639 13.340 -20.235 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.189 13.360 -21.052 1.00 0.00 H new ATOM 0 HG2 GLU A 59 1.690 11.031 -21.935 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.096 11.142 -21.217 1.00 0.00 H new ATOM 935 N ILE A 60 1.985 13.819 -17.733 1.00 0.00 N ATOM 936 CA ILE A 60 2.585 14.853 -16.897 1.00 0.00 C ATOM 937 C ILE A 60 3.339 14.224 -15.719 1.00 0.00 C ATOM 938 O ILE A 60 4.379 14.738 -15.316 1.00 0.00 O ATOM 939 CB ILE A 60 1.530 15.890 -16.449 1.00 0.00 C ATOM 940 CG1 ILE A 60 0.612 15.342 -15.336 1.00 0.00 C ATOM 941 CG2 ILE A 60 0.744 16.421 -17.666 1.00 0.00 C ATOM 942 CD1 ILE A 60 -0.559 16.236 -14.949 1.00 0.00 C ATOM 0 H ILE A 60 0.965 13.802 -17.728 1.00 0.00 H new ATOM 0 HA ILE A 60 3.320 15.400 -17.488 1.00 0.00 H new ATOM 0 HB ILE A 60 2.054 16.737 -16.005 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.219 14.377 -15.656 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.217 15.161 -14.447 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.006 17.150 -17.332 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.433 16.896 -18.365 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.238 15.593 -18.162 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.138 15.756 -14.160 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.182 17.194 -14.591 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.196 16.398 -15.819 1.00 0.00 H new ATOM 954 N LEU A 61 2.844 13.111 -15.167 1.00 0.00 N ATOM 955 CA LEU A 61 3.433 12.507 -13.983 1.00 0.00 C ATOM 956 C LEU A 61 4.734 11.790 -14.329 1.00 0.00 C ATOM 957 O LEU A 61 5.677 11.852 -13.537 1.00 0.00 O ATOM 958 CB LEU A 61 2.445 11.550 -13.303 1.00 0.00 C ATOM 959 CG LEU A 61 1.214 12.219 -12.660 1.00 0.00 C ATOM 960 CD1 LEU A 61 0.343 11.151 -11.987 1.00 0.00 C ATOM 961 CD2 LEU A 61 1.603 13.285 -11.633 1.00 0.00 C ATOM 0 H LEU A 61 2.031 12.613 -15.530 1.00 0.00 H new ATOM 0 HA LEU A 61 3.664 13.306 -13.278 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.100 10.826 -14.041 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.978 10.991 -12.533 1.00 0.00 H new ATOM 0 HG LEU A 61 0.658 12.717 -13.455 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.527 11.625 -11.533 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.014 10.427 -12.732 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.922 10.641 -11.217 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.702 13.727 -11.208 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.192 12.827 -10.838 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.193 14.061 -12.120 1.00 0.00 H new ATOM 973 N SER A 62 4.835 11.156 -15.501 1.00 0.00 N ATOM 974 CA SER A 62 6.105 10.579 -15.922 1.00 0.00 C ATOM 975 C SER A 62 7.135 11.688 -16.181 1.00 0.00 C ATOM 976 O SER A 62 8.297 11.523 -15.808 1.00 0.00 O ATOM 977 CB SER A 62 5.924 9.610 -17.100 1.00 0.00 C ATOM 978 OG SER A 62 5.152 10.145 -18.155 1.00 0.00 O ATOM 0 H SER A 62 4.067 11.033 -16.160 1.00 0.00 H new ATOM 0 HA SER A 62 6.504 9.969 -15.112 1.00 0.00 H new ATOM 0 HB2 SER A 62 6.905 9.330 -17.484 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.450 8.697 -16.740 1.00 0.00 H new ATOM 0 HG SER A 62 4.219 9.865 -18.052 1.00 0.00 H new ATOM 984 N GLU A 63 6.725 12.848 -16.714 1.00 0.00 N ATOM 985 CA GLU A 63 7.610 14.006 -16.856 1.00 0.00 C ATOM 986 C GLU A 63 8.017 14.575 -15.486 1.00 0.00 C ATOM 987 O GLU A 63 9.170 14.975 -15.311 1.00 0.00 O ATOM 988 CB GLU A 63 6.961 15.093 -17.729 1.00 0.00 C ATOM 989 CG GLU A 63 6.942 14.708 -19.215 1.00 0.00 C ATOM 990 CD GLU A 63 6.433 15.867 -20.091 1.00 0.00 C ATOM 991 OE1 GLU A 63 5.207 15.992 -20.311 1.00 0.00 O ATOM 992 OE2 GLU A 63 7.263 16.663 -20.591 1.00 0.00 O ATOM 0 H GLU A 63 5.777 13.006 -17.056 1.00 0.00 H new ATOM 0 HA GLU A 63 8.517 13.666 -17.356 1.00 0.00 H new ATOM 0 HB2 GLU A 63 5.941 15.269 -17.388 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.505 16.029 -17.605 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.946 14.425 -19.532 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.305 13.835 -19.358 1.00 0.00 H new ATOM 999 N MET A 64 7.113 14.569 -14.497 1.00 0.00 N ATOM 1000 CA MET A 64 7.417 14.932 -13.108 1.00 0.00 C ATOM 1001 C MET A 64 8.372 13.925 -12.450 1.00 0.00 C ATOM 1002 O MET A 64 8.968 14.244 -11.420 1.00 0.00 O ATOM 1003 CB MET A 64 6.123 15.050 -12.282 1.00 0.00 C ATOM 1004 CG MET A 64 5.303 16.302 -12.620 1.00 0.00 C ATOM 1005 SD MET A 64 5.915 17.855 -11.904 1.00 0.00 S ATOM 1006 CE MET A 64 5.375 17.652 -10.182 1.00 0.00 C ATOM 0 H MET A 64 6.138 14.308 -14.642 1.00 0.00 H new ATOM 0 HA MET A 64 7.916 15.901 -13.130 1.00 0.00 H new ATOM 0 HB2 MET A 64 5.510 14.165 -12.451 1.00 0.00 H new ATOM 0 HB3 MET A 64 6.376 15.064 -11.222 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.269 16.411 -13.704 1.00 0.00 H new ATOM 0 HG3 MET A 64 4.278 16.146 -12.283 1.00 0.00 H new ATOM 0 HE1 MET A 64 5.611 18.555 -9.618 1.00 0.00 H new ATOM 0 HE2 MET A 64 4.299 17.478 -10.156 1.00 0.00 H new ATOM 0 HE3 MET A 64 5.891 16.801 -9.737 1.00 0.00 H new ATOM 1016 N GLY A 65 8.540 12.729 -13.022 1.00 0.00 N ATOM 1017 CA GLY A 65 9.543 11.754 -12.615 1.00 0.00 C ATOM 1018 C GLY A 65 8.946 10.510 -11.959 1.00 0.00 C ATOM 1019 O GLY A 65 9.709 9.672 -11.479 1.00 0.00 O ATOM 0 H GLY A 65 7.965 12.409 -13.801 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.122 11.453 -13.488 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.237 12.226 -11.919 1.00 0.00 H new ATOM 1023 N TYR A 66 7.616 10.369 -11.906 1.00 0.00 N ATOM 1024 CA TYR A 66 6.973 9.150 -11.429 1.00 0.00 C ATOM 1025 C TYR A 66 7.111 8.094 -12.523 1.00 0.00 C ATOM 1026 O TYR A 66 6.309 8.027 -13.453 1.00 0.00 O ATOM 1027 CB TYR A 66 5.504 9.379 -11.053 1.00 0.00 C ATOM 1028 CG TYR A 66 5.276 10.294 -9.864 1.00 0.00 C ATOM 1029 CD1 TYR A 66 5.319 11.693 -10.019 1.00 0.00 C ATOM 1030 CD2 TYR A 66 5.014 9.738 -8.598 1.00 0.00 C ATOM 1031 CE1 TYR A 66 5.135 12.536 -8.909 1.00 0.00 C ATOM 1032 CE2 TYR A 66 4.829 10.573 -7.484 1.00 0.00 C ATOM 1033 CZ TYR A 66 4.900 11.977 -7.632 1.00 0.00 C ATOM 1034 OH TYR A 66 4.756 12.795 -6.556 1.00 0.00 O ATOM 0 H TYR A 66 6.962 11.097 -12.193 1.00 0.00 H new ATOM 0 HA TYR A 66 7.462 8.814 -10.515 1.00 0.00 H new ATOM 0 HB2 TYR A 66 4.985 9.796 -11.916 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.045 8.413 -10.841 1.00 0.00 H new ATOM 0 HD1 TYR A 66 5.494 12.120 -10.995 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.955 8.666 -8.483 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.173 13.608 -9.032 1.00 0.00 H new ATOM 0 HE2 TYR A 66 4.632 10.142 -6.513 1.00 0.00 H new ATOM 0 HH TYR A 66 4.851 12.272 -5.733 1.00 0.00 H new ATOM 1044 N THR A 67 8.156 7.281 -12.442 1.00 0.00 N ATOM 1045 CA THR A 67 8.530 6.317 -13.469 1.00 0.00 C ATOM 1046 C THR A 67 7.631 5.062 -13.495 1.00 0.00 C ATOM 1047 O THR A 67 7.906 4.144 -14.271 1.00 0.00 O ATOM 1048 CB THR A 67 10.038 6.014 -13.291 1.00 0.00 C ATOM 1049 OG1 THR A 67 10.434 6.017 -11.927 1.00 0.00 O ATOM 1050 CG2 THR A 67 10.872 7.114 -13.961 1.00 0.00 C ATOM 0 H THR A 67 8.784 7.274 -11.638 1.00 0.00 H new ATOM 0 HA THR A 67 8.364 6.744 -14.458 1.00 0.00 H new ATOM 0 HB THR A 67 10.201 5.030 -13.731 1.00 0.00 H new ATOM 0 HG1 THR A 67 10.356 5.111 -11.562 1.00 0.00 H new ATOM 0 HG21 THR A 67 11.932 6.896 -13.833 1.00 0.00 H new ATOM 0 HG22 THR A 67 10.636 7.153 -15.024 1.00 0.00 H new ATOM 0 HG23 THR A 67 10.641 8.076 -13.503 1.00 0.00 H new ATOM 1058 N HIS A 68 6.564 4.999 -12.678 1.00 0.00 N ATOM 1059 CA HIS A 68 5.766 3.784 -12.464 1.00 0.00 C ATOM 1060 C HIS A 68 4.262 4.067 -12.418 1.00 0.00 C ATOM 1061 O HIS A 68 3.494 3.322 -11.808 1.00 0.00 O ATOM 1062 CB HIS A 68 6.233 3.052 -11.189 1.00 0.00 C ATOM 1063 CG HIS A 68 7.727 2.977 -11.019 1.00 0.00 C ATOM 1064 ND1 HIS A 68 8.565 1.962 -11.423 1.00 0.00 N ATOM 1065 CD2 HIS A 68 8.510 3.967 -10.492 1.00 0.00 C ATOM 1066 CE1 HIS A 68 9.826 2.337 -11.149 1.00 0.00 C ATOM 1067 NE2 HIS A 68 9.846 3.561 -10.588 1.00 0.00 N ATOM 0 H HIS A 68 6.230 5.801 -12.143 1.00 0.00 H new ATOM 0 HA HIS A 68 5.931 3.134 -13.324 1.00 0.00 H new ATOM 0 HB2 HIS A 68 5.807 3.555 -10.321 1.00 0.00 H new ATOM 0 HB3 HIS A 68 5.831 2.039 -11.200 1.00 0.00 H new ATOM 0 HD1 HIS A 68 8.280 1.082 -11.853 1.00 0.00 H new ATOM 0 HD2 HIS A 68 8.159 4.899 -10.075 1.00 0.00 H new ATOM 0 HE1 HIS A 68 10.702 1.739 -11.351 1.00 0.00 H new ATOM 1075 N VAL A 69 3.831 5.157 -13.046 1.00 0.00 N ATOM 1076 CA VAL A 69 2.405 5.416 -13.231 1.00 0.00 C ATOM 1077 C VAL A 69 1.902 4.422 -14.278 1.00 0.00 C ATOM 1078 O VAL A 69 2.592 4.178 -15.273 1.00 0.00 O ATOM 1079 CB VAL A 69 2.155 6.878 -13.654 1.00 0.00 C ATOM 1080 CG1 VAL A 69 0.656 7.215 -13.714 1.00 0.00 C ATOM 1081 CG2 VAL A 69 2.823 7.844 -12.672 1.00 0.00 C ATOM 0 H VAL A 69 4.445 5.873 -13.434 1.00 0.00 H new ATOM 0 HA VAL A 69 1.861 5.281 -12.296 1.00 0.00 H new ATOM 0 HB VAL A 69 2.583 6.989 -14.650 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.529 8.255 -14.016 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.165 6.564 -14.438 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.210 7.066 -12.731 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.636 8.871 -12.987 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.413 7.690 -11.674 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.897 7.660 -12.655 1.00 0.00 H new ATOM 1091 N GLU A 70 0.699 3.876 -14.097 1.00 0.00 N ATOM 1092 CA GLU A 70 0.058 3.063 -15.118 1.00 0.00 C ATOM 1093 C GLU A 70 -1.443 3.324 -15.098 1.00 0.00 C ATOM 1094 O GLU A 70 -2.053 3.431 -14.030 1.00 0.00 O ATOM 1095 CB GLU A 70 0.391 1.574 -14.910 1.00 0.00 C ATOM 1096 CG GLU A 70 -0.203 0.652 -15.991 1.00 0.00 C ATOM 1097 CD GLU A 70 0.283 1.001 -17.410 1.00 0.00 C ATOM 1098 OE1 GLU A 70 -0.156 2.037 -17.964 1.00 0.00 O ATOM 1099 OE2 GLU A 70 1.109 0.250 -17.976 1.00 0.00 O ATOM 0 H GLU A 70 0.150 3.986 -13.245 1.00 0.00 H new ATOM 0 HA GLU A 70 0.438 3.337 -16.102 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.474 1.451 -14.895 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.021 1.261 -13.934 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.062 -0.381 -15.766 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -1.291 0.717 -15.959 1.00 0.00 H new ATOM 1106 N ASN A 71 -2.037 3.423 -16.289 1.00 0.00 N ATOM 1107 CA ASN A 71 -3.478 3.532 -16.423 1.00 0.00 C ATOM 1108 C ASN A 71 -4.079 2.141 -16.245 1.00 0.00 C ATOM 1109 O ASN A 71 -3.959 1.294 -17.131 1.00 0.00 O ATOM 1110 CB ASN A 71 -3.894 4.167 -17.757 1.00 0.00 C ATOM 1111 CG ASN A 71 -5.410 4.098 -17.947 1.00 0.00 C ATOM 1112 OD1 ASN A 71 -5.893 3.693 -18.999 1.00 0.00 O ATOM 1113 ND2 ASN A 71 -6.195 4.459 -16.940 1.00 0.00 N ATOM 0 H ASN A 71 -1.532 3.429 -17.175 1.00 0.00 H new ATOM 0 HA ASN A 71 -3.861 4.201 -15.652 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -3.567 5.206 -17.787 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -3.397 3.653 -18.579 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -7.209 4.401 -17.037 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.785 4.795 -16.069 1.00 0.00 H new ATOM 1120 N ALA A 72 -4.699 1.902 -15.087 1.00 0.00 N ATOM 1121 CA ALA A 72 -5.278 0.611 -14.741 1.00 0.00 C ATOM 1122 C ALA A 72 -6.474 0.259 -15.637 1.00 0.00 C ATOM 1123 O ALA A 72 -6.741 -0.923 -15.858 1.00 0.00 O ATOM 1124 CB ALA A 72 -5.699 0.627 -13.269 1.00 0.00 C ATOM 0 H ALA A 72 -4.812 2.608 -14.360 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.522 -0.158 -14.902 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.133 -0.337 -13.004 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.827 0.816 -12.643 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.437 1.413 -13.110 1.00 0.00 H new ATOM 1130 N GLY A 73 -7.194 1.264 -16.146 1.00 0.00 N ATOM 1131 CA GLY A 73 -8.379 1.088 -16.972 1.00 0.00 C ATOM 1132 C GLY A 73 -9.264 2.321 -16.862 1.00 0.00 C ATOM 1133 O GLY A 73 -8.773 3.426 -16.612 1.00 0.00 O ATOM 0 H GLY A 73 -6.958 2.244 -15.988 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -8.090 0.926 -18.011 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -8.929 0.203 -16.653 1.00 0.00 H new ATOM 1137 N GLY A 74 -10.572 2.128 -17.008 1.00 0.00 N ATOM 1138 CA GLY A 74 -11.575 3.142 -16.728 1.00 0.00 C ATOM 1139 C GLY A 74 -12.684 2.539 -15.877 1.00 0.00 C ATOM 1140 O GLY A 74 -12.747 1.317 -15.721 1.00 0.00 O ATOM 0 H GLY A 74 -10.968 1.245 -17.330 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -11.120 3.985 -16.207 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -11.987 3.528 -17.660 1.00 0.00 H new ATOM 1144 N LEU A 75 -13.555 3.391 -15.329 1.00 0.00 N ATOM 1145 CA LEU A 75 -14.541 3.020 -14.305 1.00 0.00 C ATOM 1146 C LEU A 75 -15.364 1.782 -14.679 1.00 0.00 C ATOM 1147 O LEU A 75 -15.539 0.890 -13.850 1.00 0.00 O ATOM 1148 CB LEU A 75 -15.464 4.226 -14.036 1.00 0.00 C ATOM 1149 CG LEU A 75 -16.439 4.049 -12.848 1.00 0.00 C ATOM 1150 CD1 LEU A 75 -15.696 3.991 -11.508 1.00 0.00 C ATOM 1151 CD2 LEU A 75 -17.416 5.227 -12.839 1.00 0.00 C ATOM 0 H LEU A 75 -13.597 4.377 -15.588 1.00 0.00 H new ATOM 0 HA LEU A 75 -13.994 2.753 -13.401 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -14.845 5.104 -13.851 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -16.044 4.428 -14.936 1.00 0.00 H new ATOM 0 HG LEU A 75 -16.970 3.105 -12.973 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -16.415 3.866 -10.698 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -15.004 3.149 -11.512 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -15.140 4.917 -11.360 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -18.111 5.117 -12.006 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -16.861 6.159 -12.728 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -17.973 5.245 -13.776 1.00 0.00 H new ATOM 1163 N LYS A 76 -15.867 1.719 -15.917 1.00 0.00 N ATOM 1164 CA LYS A 76 -16.709 0.606 -16.365 1.00 0.00 C ATOM 1165 C LYS A 76 -15.874 -0.609 -16.773 1.00 0.00 C ATOM 1166 O LYS A 76 -16.364 -1.735 -16.688 1.00 0.00 O ATOM 1167 CB LYS A 76 -17.598 1.049 -17.540 1.00 0.00 C ATOM 1168 CG LYS A 76 -18.617 2.125 -17.128 1.00 0.00 C ATOM 1169 CD LYS A 76 -19.537 2.490 -18.301 1.00 0.00 C ATOM 1170 CE LYS A 76 -20.555 3.552 -17.862 1.00 0.00 C ATOM 1171 NZ LYS A 76 -21.479 3.933 -18.960 1.00 0.00 N ATOM 0 H LYS A 76 -15.704 2.430 -16.629 1.00 0.00 H new ATOM 0 HA LYS A 76 -17.338 0.313 -15.525 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -16.970 1.435 -18.343 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -18.128 0.184 -17.938 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -19.215 1.763 -16.291 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -18.091 3.015 -16.783 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -18.944 2.866 -19.135 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -20.058 1.600 -18.655 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -21.133 3.172 -17.019 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -20.025 4.438 -17.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -22.148 4.652 -18.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -20.932 4.320 -19.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -22.005 3.094 -19.278 1.00 0.00 H new ATOM 1185 N ASP A 77 -14.641 -0.399 -17.240 1.00 0.00 N ATOM 1186 CA ASP A 77 -13.776 -1.470 -17.736 1.00 0.00 C ATOM 1187 C ASP A 77 -13.184 -2.280 -16.581 1.00 0.00 C ATOM 1188 O ASP A 77 -13.075 -3.503 -16.676 1.00 0.00 O ATOM 1189 CB ASP A 77 -12.644 -0.880 -18.583 1.00 0.00 C ATOM 1190 CG ASP A 77 -11.677 -1.979 -19.054 1.00 0.00 C ATOM 1191 OD1 ASP A 77 -12.039 -2.761 -19.962 1.00 0.00 O ATOM 1192 OD2 ASP A 77 -10.539 -2.042 -18.540 1.00 0.00 O ATOM 0 H ASP A 77 -14.213 0.526 -17.285 1.00 0.00 H new ATOM 0 HA ASP A 77 -14.382 -2.136 -18.350 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -13.063 -0.364 -19.447 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -12.099 -0.136 -18.001 1.00 0.00 H new ATOM 1197 N ILE A 78 -12.820 -1.607 -15.485 1.00 0.00 N ATOM 1198 CA ILE A 78 -12.286 -2.234 -14.281 1.00 0.00 C ATOM 1199 C ILE A 78 -13.412 -3.077 -13.669 1.00 0.00 C ATOM 1200 O ILE A 78 -14.491 -2.557 -13.379 1.00 0.00 O ATOM 1201 CB ILE A 78 -11.727 -1.137 -13.339 1.00 0.00 C ATOM 1202 CG1 ILE A 78 -10.461 -0.509 -13.972 1.00 0.00 C ATOM 1203 CG2 ILE A 78 -11.397 -1.700 -11.944 1.00 0.00 C ATOM 1204 CD1 ILE A 78 -9.997 0.783 -13.293 1.00 0.00 C ATOM 0 H ILE A 78 -12.891 -0.592 -15.413 1.00 0.00 H new ATOM 0 HA ILE A 78 -11.448 -2.900 -14.486 1.00 0.00 H new ATOM 0 HB ILE A 78 -12.495 -0.374 -13.212 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -9.651 -1.237 -13.936 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -10.658 -0.303 -15.024 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -11.008 -0.902 -11.312 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -12.301 -2.111 -11.494 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -10.648 -2.487 -12.037 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -9.106 1.158 -13.796 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -10.789 1.530 -13.352 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -9.766 0.582 -12.247 1.00 0.00 H new ATOM 1216 N ALA A 79 -13.164 -4.376 -13.467 1.00 0.00 N ATOM 1217 CA ALA A 79 -14.170 -5.333 -13.006 1.00 0.00 C ATOM 1218 C ALA A 79 -14.411 -5.285 -11.486 1.00 0.00 C ATOM 1219 O ALA A 79 -15.311 -5.968 -10.991 1.00 0.00 O ATOM 1220 CB ALA A 79 -13.740 -6.744 -13.429 1.00 0.00 C ATOM 0 H ALA A 79 -12.247 -4.795 -13.622 1.00 0.00 H new ATOM 0 HA ALA A 79 -15.118 -5.059 -13.469 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -14.482 -7.467 -13.091 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -13.658 -6.789 -14.515 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -12.774 -6.979 -12.982 1.00 0.00 H new ATOM 1226 N MET A 80 -13.603 -4.525 -10.738 1.00 0.00 N ATOM 1227 CA MET A 80 -13.720 -4.392 -9.283 1.00 0.00 C ATOM 1228 C MET A 80 -15.077 -3.776 -8.899 1.00 0.00 C ATOM 1229 O MET A 80 -15.663 -3.055 -9.716 1.00 0.00 O ATOM 1230 CB MET A 80 -12.570 -3.521 -8.742 1.00 0.00 C ATOM 1231 CG MET A 80 -11.193 -4.160 -8.975 1.00 0.00 C ATOM 1232 SD MET A 80 -9.775 -3.147 -8.468 1.00 0.00 S ATOM 1233 CE MET A 80 -9.930 -3.210 -6.661 1.00 0.00 C ATOM 0 H MET A 80 -12.839 -3.977 -11.133 1.00 0.00 H new ATOM 0 HA MET A 80 -13.657 -5.385 -8.838 1.00 0.00 H new ATOM 0 HB2 MET A 80 -12.600 -2.544 -9.224 1.00 0.00 H new ATOM 0 HB3 MET A 80 -12.715 -3.355 -7.674 1.00 0.00 H new ATOM 0 HG2 MET A 80 -11.154 -5.107 -8.436 1.00 0.00 H new ATOM 0 HG3 MET A 80 -11.093 -4.392 -10.035 1.00 0.00 H new ATOM 0 HE1 MET A 80 -10.021 -2.197 -6.268 1.00 0.00 H new ATOM 0 HE2 MET A 80 -10.816 -3.784 -6.392 1.00 0.00 H new ATOM 0 HE3 MET A 80 -9.046 -3.686 -6.236 1.00 0.00 H new ATOM 1243 N PRO A 81 -15.575 -4.000 -7.667 1.00 0.00 N ATOM 1244 CA PRO A 81 -16.738 -3.288 -7.143 1.00 0.00 C ATOM 1245 C PRO A 81 -16.420 -1.800 -6.930 1.00 0.00 C ATOM 1246 O PRO A 81 -15.256 -1.385 -6.988 1.00 0.00 O ATOM 1247 CB PRO A 81 -17.103 -4.007 -5.839 1.00 0.00 C ATOM 1248 CG PRO A 81 -15.778 -4.601 -5.366 1.00 0.00 C ATOM 1249 CD PRO A 81 -15.052 -4.927 -6.670 1.00 0.00 C ATOM 0 HA PRO A 81 -17.579 -3.301 -7.836 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -17.517 -3.317 -5.104 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -17.852 -4.782 -6.005 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -15.214 -3.893 -4.758 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -15.931 -5.492 -4.758 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -13.974 -4.809 -6.556 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -15.230 -5.960 -6.967 1.00 0.00 H new ATOM 1257 N LYS A 82 -17.455 -0.994 -6.670 1.00 0.00 N ATOM 1258 CA LYS A 82 -17.349 0.451 -6.473 1.00 0.00 C ATOM 1259 C LYS A 82 -18.272 0.898 -5.341 1.00 0.00 C ATOM 1260 O LYS A 82 -19.209 0.180 -4.983 1.00 0.00 O ATOM 1261 CB LYS A 82 -17.725 1.215 -7.759 1.00 0.00 C ATOM 1262 CG LYS A 82 -16.766 1.035 -8.944 1.00 0.00 C ATOM 1263 CD LYS A 82 -17.233 -0.056 -9.913 1.00 0.00 C ATOM 1264 CE LYS A 82 -16.208 -0.222 -11.038 1.00 0.00 C ATOM 1265 NZ LYS A 82 -16.496 -1.417 -11.859 1.00 0.00 N ATOM 0 H LYS A 82 -18.411 -1.339 -6.589 1.00 0.00 H new ATOM 0 HA LYS A 82 -16.314 0.676 -6.217 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -18.721 0.899 -8.070 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -17.787 2.277 -7.524 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -16.675 1.979 -9.481 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -15.773 0.784 -8.570 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -17.359 -0.999 -9.381 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -18.205 0.207 -10.330 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -16.213 0.666 -11.671 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -15.208 -0.304 -10.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -15.746 -1.539 -12.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -16.534 -2.257 -11.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -17.411 -1.296 -12.339 1.00 0.00 H new ATOM 1279 N VAL A 83 -18.049 2.115 -4.846 1.00 0.00 N ATOM 1280 CA VAL A 83 -18.885 2.815 -3.877 1.00 0.00 C ATOM 1281 C VAL A 83 -18.966 4.291 -4.291 1.00 0.00 C ATOM 1282 O VAL A 83 -18.106 4.791 -5.025 1.00 0.00 O ATOM 1283 CB VAL A 83 -18.322 2.644 -2.443 1.00 0.00 C ATOM 1284 CG1 VAL A 83 -18.304 1.174 -1.996 1.00 0.00 C ATOM 1285 CG2 VAL A 83 -16.912 3.234 -2.278 1.00 0.00 C ATOM 0 H VAL A 83 -17.238 2.666 -5.126 1.00 0.00 H new ATOM 0 HA VAL A 83 -19.890 2.393 -3.867 1.00 0.00 H new ATOM 0 HB VAL A 83 -19.006 3.204 -1.805 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -17.901 1.106 -0.985 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -19.319 0.777 -2.010 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -17.679 0.595 -2.675 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -16.572 3.083 -1.253 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -16.227 2.736 -2.964 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -16.936 4.301 -2.499 1.00 0.00 H new