USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 662 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 58 LYS NZ :NH3+ -174:sc= 0.5 (180deg=-0.0871) USER MOD Set 1.2: A 62 SER OG : rot 71:sc= 1.67 USER MOD Set 2.1: A 48 CYS SG : rot 80:sc= 0.958 USER MOD Set 2.2: A 54 SER OG : rot 76:sc= 1.36 USER MOD Single : A 1 ALA N :NH3+ 163:sc= 1.26 (180deg=1.11) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 1.49 K(o=1.5,f=-0.00029) USER MOD Single : A 15 GLN : amide:sc= 0.991 K(o=0.99,f=-0.037) USER MOD Single : A 17 HIS : no HD1:sc= -0.076 X(o=-0.076,f=-0.1) USER MOD Single : A 19 GLN : amide:sc= -1.22! C(o=-1.2!,f=-5.8!) USER MOD Single : A 23 ASN : amide:sc= 0.584 K(o=0.58,f=-1.2) 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 180:sc= 0.0119 USER MOD Single : A 40 LYS NZ :NH3+ -159:sc= 1.19 (180deg=1.13) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.00255 USER MOD Single : A 45 LYS NZ :NH3+ 176:sc= 1.25 (180deg=1.21) USER MOD Single : A 47 TYR OH : rot 15:sc= 0.317 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 GLN : amide:sc= -1.44 K(o=-1.4,f=-5.4!) USER MOD Single : A 56 GLN : amide:sc= 1.11 K(o=1.1,f=0) USER MOD Single : A 64 MET CE :methyl 178:sc= 0 (180deg=-0.00546) USER MOD Single : A 66 TYR OH : rot 174:sc= 1.26 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -2.36! C(o=-2.2!,f=-6.2!) USER MOD Single : A 71 ASN : amide:sc= 0.974 K(o=0.97,f=0.045) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -176:sc= 0 (180deg=-0.0235) USER MOD Single : A 82 LYS NZ :NH3+ -175:sc= 1.81 (180deg=1.77) USER MOD Single : A 84 LYS NZ :NH3+ 146:sc= 1.25 (180deg=1.04) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 4.408 -1.966 -2.761 1.00 0.00 N ATOM 2 CA ALA A 1 2.995 -1.729 -2.400 1.00 0.00 C ATOM 3 C ALA A 1 2.224 -1.253 -3.644 1.00 0.00 C ATOM 4 O ALA A 1 2.584 -1.615 -4.767 1.00 0.00 O ATOM 5 CB ALA A 1 2.883 -0.779 -1.190 1.00 0.00 C ATOM 0 H1 ALA A 1 4.985 -2.004 -1.897 1.00 0.00 H new ATOM 0 H2 ALA A 1 4.489 -2.868 -3.272 1.00 0.00 H new ATOM 0 H3 ALA A 1 4.745 -1.193 -3.369 1.00 0.00 H new ATOM 0 HA ALA A 1 2.530 -2.659 -2.074 1.00 0.00 H new ATOM 0 HB1 ALA A 1 1.832 -0.622 -0.946 1.00 0.00 H new ATOM 0 HB2 ALA A 1 3.392 -1.220 -0.333 1.00 0.00 H new ATOM 0 HB3 ALA A 1 3.345 0.177 -1.434 1.00 0.00 H new ATOM 13 N GLU A 2 1.124 -0.510 -3.477 1.00 0.00 N ATOM 14 CA GLU A 2 0.260 -0.050 -4.559 1.00 0.00 C ATOM 15 C GLU A 2 -0.481 1.207 -4.080 1.00 0.00 C ATOM 16 O GLU A 2 -0.698 1.376 -2.875 1.00 0.00 O ATOM 17 CB GLU A 2 -0.721 -1.190 -4.907 1.00 0.00 C ATOM 18 CG GLU A 2 -1.638 -0.904 -6.103 1.00 0.00 C ATOM 19 CD GLU A 2 -2.480 -2.141 -6.459 1.00 0.00 C ATOM 20 OE1 GLU A 2 -3.465 -2.437 -5.744 1.00 0.00 O ATOM 21 OE2 GLU A 2 -2.181 -2.806 -7.475 1.00 0.00 O ATOM 0 H GLU A 2 0.805 -0.206 -2.557 1.00 0.00 H new ATOM 0 HA GLU A 2 0.828 0.204 -5.454 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -0.148 -2.094 -5.114 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -1.340 -1.398 -4.034 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -2.296 -0.067 -5.870 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -1.038 -0.608 -6.963 1.00 0.00 H new ATOM 28 N HIS A 3 -0.910 2.053 -5.019 1.00 0.00 N ATOM 29 CA HIS A 3 -1.819 3.173 -4.803 1.00 0.00 C ATOM 30 C HIS A 3 -2.787 3.190 -5.984 1.00 0.00 C ATOM 31 O HIS A 3 -2.379 2.885 -7.108 1.00 0.00 O ATOM 32 CB HIS A 3 -1.059 4.511 -4.765 1.00 0.00 C ATOM 33 CG HIS A 3 -0.161 4.714 -3.571 1.00 0.00 C ATOM 34 ND1 HIS A 3 -0.488 5.386 -2.412 1.00 0.00 N ATOM 35 CD2 HIS A 3 1.153 4.341 -3.463 1.00 0.00 C ATOM 36 CE1 HIS A 3 0.601 5.414 -1.626 1.00 0.00 C ATOM 37 NE2 HIS A 3 1.633 4.788 -2.223 1.00 0.00 N ATOM 0 H HIS A 3 -0.618 1.969 -5.993 1.00 0.00 H new ATOM 0 HA HIS A 3 -2.333 3.053 -3.849 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -0.456 4.592 -5.669 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -1.786 5.323 -4.793 1.00 0.00 H new ATOM 0 HD2 HIS A 3 1.721 3.797 -4.204 1.00 0.00 H new ATOM 0 HE1 HIS A 3 0.643 5.875 -0.650 1.00 0.00 H new ATOM 0 HE2 HIS A 3 2.574 4.664 -1.849 1.00 0.00 H new ATOM 45 N TRP A 4 -4.029 3.610 -5.746 1.00 0.00 N ATOM 46 CA TRP A 4 -5.022 3.870 -6.780 1.00 0.00 C ATOM 47 C TRP A 4 -5.388 5.335 -6.643 1.00 0.00 C ATOM 48 O TRP A 4 -5.770 5.771 -5.555 1.00 0.00 O ATOM 49 CB TRP A 4 -6.265 2.983 -6.599 1.00 0.00 C ATOM 50 CG TRP A 4 -6.050 1.526 -6.878 1.00 0.00 C ATOM 51 CD1 TRP A 4 -5.433 0.652 -6.052 1.00 0.00 C ATOM 52 CD2 TRP A 4 -6.416 0.752 -8.065 1.00 0.00 C ATOM 53 NE1 TRP A 4 -5.383 -0.593 -6.640 1.00 0.00 N ATOM 54 CE2 TRP A 4 -5.982 -0.596 -7.880 1.00 0.00 C ATOM 55 CE3 TRP A 4 -7.067 1.051 -9.281 1.00 0.00 C ATOM 56 CZ2 TRP A 4 -6.188 -1.593 -8.846 1.00 0.00 C ATOM 57 CZ3 TRP A 4 -7.279 0.058 -10.258 1.00 0.00 C ATOM 58 CH2 TRP A 4 -6.843 -1.261 -10.043 1.00 0.00 C ATOM 0 H TRP A 4 -4.378 3.782 -4.803 1.00 0.00 H new ATOM 0 HA TRP A 4 -4.625 3.643 -7.769 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -6.625 3.092 -5.576 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -7.054 3.351 -7.255 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -5.038 0.894 -5.076 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -4.955 -1.412 -6.209 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -7.409 2.059 -9.466 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -5.847 -2.603 -8.671 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -7.781 0.312 -11.180 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -7.011 -2.017 -10.796 1.00 0.00 H new ATOM 69 N ILE A 5 -5.269 6.089 -7.730 1.00 0.00 N ATOM 70 CA ILE A 5 -5.563 7.507 -7.763 1.00 0.00 C ATOM 71 C ILE A 5 -6.609 7.669 -8.863 1.00 0.00 C ATOM 72 O ILE A 5 -6.322 7.484 -10.047 1.00 0.00 O ATOM 73 CB ILE A 5 -4.279 8.338 -7.998 1.00 0.00 C ATOM 74 CG1 ILE A 5 -3.169 8.039 -6.958 1.00 0.00 C ATOM 75 CG2 ILE A 5 -4.632 9.836 -7.989 1.00 0.00 C ATOM 76 CD1 ILE A 5 -1.858 8.786 -7.221 1.00 0.00 C ATOM 0 H ILE A 5 -4.959 5.719 -8.628 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.951 7.881 -6.816 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.877 8.052 -8.970 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -3.534 8.303 -5.965 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -2.970 6.967 -6.950 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.729 10.424 -8.154 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.351 10.045 -8.781 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -5.066 10.102 -7.025 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.130 8.526 -6.452 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.469 8.504 -8.199 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.041 9.860 -7.199 1.00 0.00 H new ATOM 88 N ASP A 6 -7.843 7.960 -8.469 1.00 0.00 N ATOM 89 CA ASP A 6 -8.873 8.371 -9.408 1.00 0.00 C ATOM 90 C ASP A 6 -8.555 9.810 -9.798 1.00 0.00 C ATOM 91 O ASP A 6 -8.519 10.687 -8.929 1.00 0.00 O ATOM 92 CB ASP A 6 -10.246 8.285 -8.745 1.00 0.00 C ATOM 93 CG ASP A 6 -11.371 8.798 -9.647 1.00 0.00 C ATOM 94 OD1 ASP A 6 -11.194 9.013 -10.866 1.00 0.00 O ATOM 95 OD2 ASP A 6 -12.489 8.954 -9.118 1.00 0.00 O ATOM 0 H ASP A 6 -8.153 7.918 -7.498 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.893 7.726 -10.287 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.449 7.249 -8.472 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -10.235 8.862 -7.821 1.00 0.00 H new ATOM 100 N VAL A 7 -8.308 10.068 -11.078 1.00 0.00 N ATOM 101 CA VAL A 7 -7.939 11.395 -11.564 1.00 0.00 C ATOM 102 C VAL A 7 -9.110 12.066 -12.299 1.00 0.00 C ATOM 103 O VAL A 7 -8.905 13.073 -12.982 1.00 0.00 O ATOM 104 CB VAL A 7 -6.593 11.362 -12.326 1.00 0.00 C ATOM 105 CG1 VAL A 7 -5.434 10.813 -11.474 1.00 0.00 C ATOM 106 CG2 VAL A 7 -6.631 10.512 -13.595 1.00 0.00 C ATOM 0 H VAL A 7 -8.358 9.361 -11.811 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.747 12.051 -10.715 1.00 0.00 H new ATOM 0 HB VAL A 7 -6.426 12.409 -12.579 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.517 10.815 -12.063 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.301 11.441 -10.593 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.663 9.794 -11.162 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.654 10.535 -14.078 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.884 9.484 -13.337 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -7.382 10.910 -14.277 1.00 0.00 H new ATOM 116 N ARG A 8 -10.342 11.543 -12.162 1.00 0.00 N ATOM 117 CA ARG A 8 -11.544 12.247 -12.615 1.00 0.00 C ATOM 118 C ARG A 8 -11.629 13.620 -11.982 1.00 0.00 C ATOM 119 O ARG A 8 -11.105 13.841 -10.884 1.00 0.00 O ATOM 120 CB ARG A 8 -12.831 11.492 -12.231 1.00 0.00 C ATOM 121 CG ARG A 8 -13.171 10.419 -13.260 1.00 0.00 C ATOM 122 CD ARG A 8 -14.358 9.540 -12.877 1.00 0.00 C ATOM 123 NE ARG A 8 -14.097 8.798 -11.642 1.00 0.00 N ATOM 124 CZ ARG A 8 -15.006 8.082 -10.979 1.00 0.00 C ATOM 125 NH1 ARG A 8 -16.218 7.847 -11.471 1.00 0.00 N ATOM 126 NH2 ARG A 8 -14.700 7.605 -9.790 1.00 0.00 N ATOM 0 H ARG A 8 -10.526 10.633 -11.740 1.00 0.00 H new ATOM 0 HA ARG A 8 -11.465 12.318 -13.700 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -12.707 11.032 -11.250 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -13.658 12.197 -12.150 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -13.383 10.901 -14.215 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -12.297 9.785 -13.410 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -15.246 10.160 -12.750 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -14.571 8.841 -13.685 1.00 0.00 H new ATOM 0 HE ARG A 8 -13.151 8.831 -11.261 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -16.479 8.219 -12.384 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -16.888 7.295 -10.935 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -13.779 7.785 -9.390 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -15.384 7.055 -9.270 1.00 0.00 H new ATOM 140 N VAL A 9 -12.375 14.503 -12.650 1.00 0.00 N ATOM 141 CA VAL A 9 -12.798 15.763 -12.062 1.00 0.00 C ATOM 142 C VAL A 9 -13.491 15.428 -10.722 1.00 0.00 C ATOM 143 O VAL A 9 -14.157 14.387 -10.624 1.00 0.00 O ATOM 144 CB VAL A 9 -13.662 16.574 -13.054 1.00 0.00 C ATOM 145 CG1 VAL A 9 -12.831 16.979 -14.282 1.00 0.00 C ATOM 146 CG2 VAL A 9 -14.919 15.833 -13.527 1.00 0.00 C ATOM 0 H VAL A 9 -12.698 14.360 -13.607 1.00 0.00 H new ATOM 0 HA VAL A 9 -11.955 16.421 -11.851 1.00 0.00 H new ATOM 0 HB VAL A 9 -13.993 17.454 -12.504 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -13.454 17.549 -14.971 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.987 17.591 -13.964 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -12.462 16.084 -14.783 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -15.474 16.465 -14.220 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -14.630 14.910 -14.029 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -15.547 15.597 -12.668 1.00 0.00 H new ATOM 156 N PRO A 10 -13.373 16.270 -9.683 1.00 0.00 N ATOM 157 CA PRO A 10 -13.761 15.879 -8.329 1.00 0.00 C ATOM 158 C PRO A 10 -15.255 15.581 -8.203 1.00 0.00 C ATOM 159 O PRO A 10 -15.660 14.722 -7.418 1.00 0.00 O ATOM 160 CB PRO A 10 -13.307 17.031 -7.427 1.00 0.00 C ATOM 161 CG PRO A 10 -13.237 18.239 -8.363 1.00 0.00 C ATOM 162 CD PRO A 10 -12.880 17.639 -9.721 1.00 0.00 C ATOM 0 HA PRO A 10 -13.288 14.941 -8.039 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -14.011 17.199 -6.612 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -12.338 16.823 -6.973 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -14.188 18.770 -8.400 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.484 18.955 -8.034 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -13.343 18.201 -10.532 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -11.804 17.664 -9.890 1.00 0.00 H new ATOM 170 N GLU A 11 -16.089 16.252 -8.997 1.00 0.00 N ATOM 171 CA GLU A 11 -17.529 16.042 -9.003 1.00 0.00 C ATOM 172 C GLU A 11 -17.919 14.698 -9.627 1.00 0.00 C ATOM 173 O GLU A 11 -19.001 14.204 -9.316 1.00 0.00 O ATOM 174 CB GLU A 11 -18.200 17.200 -9.751 1.00 0.00 C ATOM 175 CG GLU A 11 -18.134 18.538 -8.994 1.00 0.00 C ATOM 176 CD GLU A 11 -18.886 18.512 -7.650 1.00 0.00 C ATOM 177 OE1 GLU A 11 -20.133 18.627 -7.645 1.00 0.00 O ATOM 178 OE2 GLU A 11 -18.234 18.397 -6.588 1.00 0.00 O ATOM 0 H GLU A 11 -15.777 16.963 -9.659 1.00 0.00 H new ATOM 0 HA GLU A 11 -17.874 16.016 -7.969 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -17.724 17.318 -10.724 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -19.244 16.947 -9.936 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -17.090 18.795 -8.814 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -18.552 19.325 -9.622 1.00 0.00 H new ATOM 185 N GLN A 12 -17.070 14.081 -10.463 1.00 0.00 N ATOM 186 CA GLN A 12 -17.353 12.772 -11.048 1.00 0.00 C ATOM 187 C GLN A 12 -16.818 11.678 -10.124 1.00 0.00 C ATOM 188 O GLN A 12 -17.470 10.644 -9.979 1.00 0.00 O ATOM 189 CB GLN A 12 -16.760 12.651 -12.462 1.00 0.00 C ATOM 190 CG GLN A 12 -17.558 13.461 -13.497 1.00 0.00 C ATOM 191 CD GLN A 12 -16.986 13.352 -14.917 1.00 0.00 C ATOM 192 OE1 GLN A 12 -16.177 12.482 -15.231 1.00 0.00 O ATOM 193 NE2 GLN A 12 -17.394 14.236 -15.813 1.00 0.00 N ATOM 0 H GLN A 12 -16.174 14.477 -10.748 1.00 0.00 H new ATOM 0 HA GLN A 12 -18.432 12.654 -11.147 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -15.726 12.996 -12.451 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -16.743 11.602 -12.759 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -18.592 13.116 -13.501 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -17.573 14.509 -13.197 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -18.066 14.957 -15.549 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -17.037 14.197 -16.768 1.00 0.00 H new ATOM 202 N TYR A 13 -15.692 11.923 -9.441 1.00 0.00 N ATOM 203 CA TYR A 13 -15.174 11.023 -8.413 1.00 0.00 C ATOM 204 C TYR A 13 -16.256 10.691 -7.380 1.00 0.00 C ATOM 205 O TYR A 13 -16.464 9.523 -7.051 1.00 0.00 O ATOM 206 CB TYR A 13 -13.932 11.636 -7.747 1.00 0.00 C ATOM 207 CG TYR A 13 -13.688 11.214 -6.303 1.00 0.00 C ATOM 208 CD1 TYR A 13 -13.297 9.897 -5.978 1.00 0.00 C ATOM 209 CD2 TYR A 13 -13.849 12.164 -5.274 1.00 0.00 C ATOM 210 CE1 TYR A 13 -13.031 9.548 -4.642 1.00 0.00 C ATOM 211 CE2 TYR A 13 -13.611 11.812 -3.935 1.00 0.00 C ATOM 212 CZ TYR A 13 -13.193 10.501 -3.612 1.00 0.00 C ATOM 213 OH TYR A 13 -12.939 10.176 -2.313 1.00 0.00 O ATOM 0 H TYR A 13 -15.117 12.753 -9.589 1.00 0.00 H new ATOM 0 HA TYR A 13 -14.878 10.087 -8.887 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -13.056 11.370 -8.338 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -14.022 12.722 -7.780 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -13.202 9.156 -6.757 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -14.158 13.170 -5.517 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -12.702 8.548 -4.403 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -13.747 12.543 -3.152 1.00 0.00 H new ATOM 0 HH TYR A 13 -13.103 10.956 -1.743 1.00 0.00 H new ATOM 223 N GLN A 14 -16.978 11.714 -6.909 1.00 0.00 N ATOM 224 CA GLN A 14 -17.979 11.568 -5.857 1.00 0.00 C ATOM 225 C GLN A 14 -19.158 10.665 -6.257 1.00 0.00 C ATOM 226 O GLN A 14 -19.857 10.181 -5.365 1.00 0.00 O ATOM 227 CB GLN A 14 -18.496 12.961 -5.460 1.00 0.00 C ATOM 228 CG GLN A 14 -17.475 13.759 -4.634 1.00 0.00 C ATOM 229 CD GLN A 14 -17.858 15.238 -4.587 1.00 0.00 C ATOM 230 OE1 GLN A 14 -18.706 15.665 -3.806 1.00 0.00 O ATOM 231 NE2 GLN A 14 -17.258 16.037 -5.451 1.00 0.00 N ATOM 0 H GLN A 14 -16.881 12.670 -7.252 1.00 0.00 H new ATOM 0 HA GLN A 14 -17.492 11.079 -5.013 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -18.746 13.522 -6.361 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -19.416 12.853 -4.886 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -17.426 13.358 -3.621 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -16.482 13.649 -5.069 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -16.557 15.662 -6.090 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -17.496 17.029 -5.479 1.00 0.00 H new ATOM 240 N GLN A 15 -19.420 10.455 -7.555 1.00 0.00 N ATOM 241 CA GLN A 15 -20.635 9.769 -7.989 1.00 0.00 C ATOM 242 C GLN A 15 -20.536 8.267 -7.700 1.00 0.00 C ATOM 243 O GLN A 15 -21.443 7.686 -7.103 1.00 0.00 O ATOM 244 CB GLN A 15 -20.899 10.026 -9.486 1.00 0.00 C ATOM 245 CG GLN A 15 -20.981 11.517 -9.865 1.00 0.00 C ATOM 246 CD GLN A 15 -22.021 12.307 -9.066 1.00 0.00 C ATOM 247 OE1 GLN A 15 -23.156 11.877 -8.876 1.00 0.00 O ATOM 248 NE2 GLN A 15 -21.654 13.481 -8.581 1.00 0.00 N ATOM 0 H GLN A 15 -18.808 10.750 -8.315 1.00 0.00 H new ATOM 0 HA GLN A 15 -21.478 10.169 -7.425 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -20.106 9.557 -10.069 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -21.833 9.539 -9.768 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -20.002 11.973 -9.718 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -21.215 11.599 -10.927 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -20.709 13.828 -8.745 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -22.316 14.040 -8.043 1.00 0.00 H new ATOM 257 N GLU A 16 -19.431 7.640 -8.108 1.00 0.00 N ATOM 258 CA GLU A 16 -19.183 6.208 -7.988 1.00 0.00 C ATOM 259 C GLU A 16 -17.681 6.024 -8.166 1.00 0.00 C ATOM 260 O GLU A 16 -17.141 6.600 -9.111 1.00 0.00 O ATOM 261 CB GLU A 16 -19.956 5.474 -9.101 1.00 0.00 C ATOM 262 CG GLU A 16 -19.887 3.944 -8.989 1.00 0.00 C ATOM 263 CD GLU A 16 -20.711 3.230 -10.080 1.00 0.00 C ATOM 264 OE1 GLU A 16 -21.793 3.730 -10.469 1.00 0.00 O ATOM 265 OE2 GLU A 16 -20.292 2.143 -10.536 1.00 0.00 O ATOM 0 H GLU A 16 -18.657 8.138 -8.547 1.00 0.00 H new ATOM 0 HA GLU A 16 -19.510 5.807 -7.029 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -21.000 5.786 -9.073 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -19.558 5.778 -10.069 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -18.847 3.625 -9.058 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -20.250 3.639 -8.007 1.00 0.00 H new ATOM 272 N HIS A 17 -16.985 5.264 -7.314 1.00 0.00 N ATOM 273 CA HIS A 17 -15.540 5.067 -7.451 1.00 0.00 C ATOM 274 C HIS A 17 -15.098 3.714 -6.894 1.00 0.00 C ATOM 275 O HIS A 17 -15.807 3.103 -6.092 1.00 0.00 O ATOM 276 CB HIS A 17 -14.763 6.227 -6.788 1.00 0.00 C ATOM 277 CG HIS A 17 -14.506 6.087 -5.308 1.00 0.00 C ATOM 278 ND1 HIS A 17 -15.448 6.057 -4.305 1.00 0.00 N ATOM 279 CD2 HIS A 17 -13.276 5.988 -4.713 1.00 0.00 C ATOM 280 CE1 HIS A 17 -14.800 5.935 -3.134 1.00 0.00 C ATOM 281 NE2 HIS A 17 -13.469 5.887 -3.328 1.00 0.00 N ATOM 0 H HIS A 17 -17.401 4.775 -6.521 1.00 0.00 H new ATOM 0 HA HIS A 17 -15.306 5.067 -8.516 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -13.804 6.333 -7.295 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -15.316 7.151 -6.955 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -12.324 5.988 -5.222 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -15.282 5.883 -2.169 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -12.747 5.796 -2.613 1.00 0.00 H new ATOM 289 N VAL A 18 -13.913 3.261 -7.310 1.00 0.00 N ATOM 290 CA VAL A 18 -13.243 2.102 -6.740 1.00 0.00 C ATOM 291 C VAL A 18 -12.829 2.500 -5.320 1.00 0.00 C ATOM 292 O VAL A 18 -11.918 3.313 -5.145 1.00 0.00 O ATOM 293 CB VAL A 18 -12.049 1.688 -7.632 1.00 0.00 C ATOM 294 CG1 VAL A 18 -11.297 0.482 -7.048 1.00 0.00 C ATOM 295 CG2 VAL A 18 -12.510 1.318 -9.053 1.00 0.00 C ATOM 0 H VAL A 18 -13.388 3.701 -8.066 1.00 0.00 H new ATOM 0 HA VAL A 18 -13.889 1.226 -6.694 1.00 0.00 H new ATOM 0 HB VAL A 18 -11.385 2.552 -7.670 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.465 0.220 -7.702 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -10.915 0.735 -6.059 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -11.976 -0.367 -6.968 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -11.646 1.032 -9.653 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -13.209 0.483 -9.003 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -13.002 2.176 -9.511 1.00 0.00 H new ATOM 305 N GLN A 19 -13.529 1.954 -4.321 1.00 0.00 N ATOM 306 CA GLN A 19 -13.281 2.191 -2.902 1.00 0.00 C ATOM 307 C GLN A 19 -11.787 2.141 -2.571 1.00 0.00 C ATOM 308 O GLN A 19 -11.070 1.237 -3.009 1.00 0.00 O ATOM 309 CB GLN A 19 -14.099 1.230 -2.015 1.00 0.00 C ATOM 310 CG GLN A 19 -13.839 -0.274 -2.215 1.00 0.00 C ATOM 311 CD GLN A 19 -14.297 -0.770 -3.586 1.00 0.00 C ATOM 312 OE1 GLN A 19 -15.467 -0.662 -3.932 1.00 0.00 O ATOM 313 NE2 GLN A 19 -13.392 -1.229 -4.435 1.00 0.00 N ATOM 0 H GLN A 19 -14.307 1.316 -4.486 1.00 0.00 H new ATOM 0 HA GLN A 19 -13.622 3.202 -2.679 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -13.900 1.475 -0.972 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -15.158 1.420 -2.191 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -12.774 -0.474 -2.097 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -14.357 -0.835 -1.437 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -12.418 -1.318 -4.144 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -13.668 -1.494 -5.381 1.00 0.00 H new ATOM 322 N GLY A 20 -11.331 3.115 -1.783 1.00 0.00 N ATOM 323 CA GLY A 20 -9.959 3.204 -1.306 1.00 0.00 C ATOM 324 C GLY A 20 -9.065 4.041 -2.221 1.00 0.00 C ATOM 325 O GLY A 20 -8.008 4.486 -1.768 1.00 0.00 O ATOM 0 H GLY A 20 -11.922 3.879 -1.454 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.955 3.638 -0.306 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.544 2.200 -1.220 1.00 0.00 H new ATOM 329 N ALA A 21 -9.459 4.289 -3.479 1.00 0.00 N ATOM 330 CA ALA A 21 -8.709 5.183 -4.351 1.00 0.00 C ATOM 331 C ALA A 21 -8.811 6.615 -3.815 1.00 0.00 C ATOM 332 O ALA A 21 -9.912 7.101 -3.541 1.00 0.00 O ATOM 333 CB ALA A 21 -9.221 5.096 -5.794 1.00 0.00 C ATOM 0 H ALA A 21 -10.290 3.881 -3.907 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.662 4.881 -4.360 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.645 5.773 -6.426 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.109 4.075 -6.159 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.273 5.378 -5.824 1.00 0.00 H new ATOM 339 N ILE A 22 -7.669 7.288 -3.670 1.00 0.00 N ATOM 340 CA ILE A 22 -7.622 8.725 -3.397 1.00 0.00 C ATOM 341 C ILE A 22 -8.073 9.447 -4.679 1.00 0.00 C ATOM 342 O ILE A 22 -7.940 8.891 -5.772 1.00 0.00 O ATOM 343 CB ILE A 22 -6.205 9.116 -2.894 1.00 0.00 C ATOM 344 CG1 ILE A 22 -6.112 10.618 -2.540 1.00 0.00 C ATOM 345 CG2 ILE A 22 -5.096 8.720 -3.882 1.00 0.00 C ATOM 346 CD1 ILE A 22 -4.782 11.017 -1.889 1.00 0.00 C ATOM 0 H ILE A 22 -6.750 6.852 -3.739 1.00 0.00 H new ATOM 0 HA ILE A 22 -8.297 9.026 -2.596 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.043 8.543 -1.981 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -6.253 11.205 -3.447 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.928 10.874 -1.865 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.127 9.017 -3.480 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.111 7.641 -4.032 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -5.262 9.221 -4.835 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -4.790 12.085 -1.669 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.647 10.457 -0.964 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -3.962 10.793 -2.571 1.00 0.00 H new ATOM 358 N ASN A 23 -8.573 10.683 -4.578 1.00 0.00 N ATOM 359 CA ASN A 23 -8.928 11.480 -5.750 1.00 0.00 C ATOM 360 C ASN A 23 -7.972 12.650 -5.880 1.00 0.00 C ATOM 361 O ASN A 23 -7.870 13.491 -4.982 1.00 0.00 O ATOM 362 CB ASN A 23 -10.378 11.958 -5.692 1.00 0.00 C ATOM 363 CG ASN A 23 -10.749 12.908 -6.836 1.00 0.00 C ATOM 364 OD1 ASN A 23 -11.288 13.981 -6.593 1.00 0.00 O ATOM 365 ND2 ASN A 23 -10.472 12.568 -8.090 1.00 0.00 N ATOM 0 H ASN A 23 -8.741 11.153 -3.688 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.839 10.849 -6.634 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -11.040 11.092 -5.719 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -10.550 12.462 -4.741 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -10.708 13.201 -8.854 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -10.023 11.674 -8.289 1.00 0.00 H new ATOM 372 N ILE A 24 -7.287 12.713 -7.016 1.00 0.00 N ATOM 373 CA ILE A 24 -6.407 13.812 -7.372 1.00 0.00 C ATOM 374 C ILE A 24 -6.745 14.129 -8.832 1.00 0.00 C ATOM 375 O ILE A 24 -6.124 13.566 -9.730 1.00 0.00 O ATOM 376 CB ILE A 24 -4.915 13.479 -7.120 1.00 0.00 C ATOM 377 CG1 ILE A 24 -4.649 12.867 -5.726 1.00 0.00 C ATOM 378 CG2 ILE A 24 -4.113 14.778 -7.282 1.00 0.00 C ATOM 379 CD1 ILE A 24 -3.184 12.479 -5.506 1.00 0.00 C ATOM 0 H ILE A 24 -7.331 11.984 -7.728 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.564 14.690 -6.746 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.609 12.722 -7.842 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.948 13.582 -4.960 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.275 11.984 -5.599 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.056 14.577 -7.110 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.249 15.166 -8.291 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.464 15.515 -6.559 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.066 12.056 -4.509 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -2.887 11.741 -6.251 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -2.555 13.364 -5.602 1.00 0.00 H new ATOM 391 N PRO A 25 -7.784 14.945 -9.087 1.00 0.00 N ATOM 392 CA PRO A 25 -8.158 15.360 -10.432 1.00 0.00 C ATOM 393 C PRO A 25 -6.957 15.880 -11.215 1.00 0.00 C ATOM 394 O PRO A 25 -6.060 16.467 -10.617 1.00 0.00 O ATOM 395 CB PRO A 25 -9.198 16.465 -10.251 1.00 0.00 C ATOM 396 CG PRO A 25 -9.792 16.199 -8.869 1.00 0.00 C ATOM 397 CD PRO A 25 -8.637 15.578 -8.097 1.00 0.00 C ATOM 0 HA PRO A 25 -8.551 14.519 -11.003 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -8.742 17.454 -10.305 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -9.962 16.424 -11.027 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -10.140 17.118 -8.399 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -10.647 15.525 -8.923 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -8.089 16.337 -7.539 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.000 14.849 -7.372 1.00 0.00 H new ATOM 405 N LEU A 26 -6.968 15.752 -12.544 1.00 0.00 N ATOM 406 CA LEU A 26 -5.862 16.157 -13.421 1.00 0.00 C ATOM 407 C LEU A 26 -5.275 17.539 -13.079 1.00 0.00 C ATOM 408 O LEU A 26 -4.055 17.684 -13.024 1.00 0.00 O ATOM 409 CB LEU A 26 -6.353 16.090 -14.878 1.00 0.00 C ATOM 410 CG LEU A 26 -5.375 16.651 -15.929 1.00 0.00 C ATOM 411 CD1 LEU A 26 -4.088 15.824 -15.984 1.00 0.00 C ATOM 412 CD2 LEU A 26 -6.066 16.645 -17.297 1.00 0.00 C ATOM 0 H LEU A 26 -7.759 15.357 -13.052 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.034 15.464 -13.268 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.568 15.050 -15.124 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.293 16.636 -14.953 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.101 17.669 -15.652 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.418 16.244 -16.734 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.600 15.845 -15.009 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.328 14.794 -16.248 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.385 17.040 -18.051 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.345 15.624 -17.559 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.961 17.266 -17.256 1.00 0.00 H new ATOM 424 N LYS A 27 -6.119 18.544 -12.812 1.00 0.00 N ATOM 425 CA LYS A 27 -5.654 19.885 -12.434 1.00 0.00 C ATOM 426 C LYS A 27 -4.899 19.858 -11.102 1.00 0.00 C ATOM 427 O LYS A 27 -3.871 20.515 -10.951 1.00 0.00 O ATOM 428 CB LYS A 27 -6.847 20.852 -12.325 1.00 0.00 C ATOM 429 CG LYS A 27 -7.565 21.060 -13.668 1.00 0.00 C ATOM 430 CD LYS A 27 -8.704 22.079 -13.534 1.00 0.00 C ATOM 431 CE LYS A 27 -9.402 22.271 -14.888 1.00 0.00 C ATOM 432 NZ LYS A 27 -10.509 23.257 -14.815 1.00 0.00 N ATOM 0 H LYS A 27 -7.134 18.452 -12.851 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.973 20.229 -13.212 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.557 20.466 -11.594 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -6.497 21.814 -11.952 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.851 21.405 -14.416 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -7.963 20.109 -14.022 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -9.424 21.736 -12.791 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.310 23.032 -13.181 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -8.672 22.601 -15.627 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -9.793 21.313 -15.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -10.950 23.354 -15.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -11.220 22.931 -14.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -10.134 24.179 -14.513 1.00 0.00 H new ATOM 446 N GLU A 28 -5.419 19.099 -10.141 1.00 0.00 N ATOM 447 CA GLU A 28 -4.934 19.007 -8.772 1.00 0.00 C ATOM 448 C GLU A 28 -3.645 18.177 -8.693 1.00 0.00 C ATOM 449 O GLU A 28 -2.876 18.367 -7.751 1.00 0.00 O ATOM 450 CB GLU A 28 -6.026 18.377 -7.887 1.00 0.00 C ATOM 451 CG GLU A 28 -7.359 19.155 -7.842 1.00 0.00 C ATOM 452 CD GLU A 28 -7.275 20.390 -6.935 1.00 0.00 C ATOM 453 OE1 GLU A 28 -7.535 20.240 -5.719 1.00 0.00 O ATOM 454 OE2 GLU A 28 -6.972 21.502 -7.423 1.00 0.00 O ATOM 0 H GLU A 28 -6.230 18.503 -10.307 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.705 20.011 -8.416 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.224 17.367 -8.245 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.641 18.286 -6.871 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.632 19.464 -8.851 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.151 18.497 -7.485 1.00 0.00 H new ATOM 461 N VAL A 29 -3.366 17.293 -9.665 1.00 0.00 N ATOM 462 CA VAL A 29 -2.138 16.486 -9.704 1.00 0.00 C ATOM 463 C VAL A 29 -0.920 17.392 -9.528 1.00 0.00 C ATOM 464 O VAL A 29 -0.062 17.099 -8.697 1.00 0.00 O ATOM 465 CB VAL A 29 -2.069 15.646 -11.003 1.00 0.00 C ATOM 466 CG1 VAL A 29 -0.736 14.904 -11.174 1.00 0.00 C ATOM 467 CG2 VAL A 29 -3.168 14.574 -11.052 1.00 0.00 C ATOM 0 H VAL A 29 -3.992 17.118 -10.451 1.00 0.00 H new ATOM 0 HA VAL A 29 -2.145 15.775 -8.877 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.193 16.378 -11.801 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.753 14.335 -12.103 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.081 15.625 -11.205 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.588 14.224 -10.335 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.083 14.008 -11.980 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.056 13.899 -10.203 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.146 15.053 -11.008 1.00 0.00 H new ATOM 477 N LYS A 30 -0.892 18.534 -10.224 1.00 0.00 N ATOM 478 CA LYS A 30 0.225 19.476 -10.202 1.00 0.00 C ATOM 479 C LYS A 30 0.497 20.069 -8.816 1.00 0.00 C ATOM 480 O LYS A 30 1.568 20.641 -8.613 1.00 0.00 O ATOM 481 CB LYS A 30 -0.034 20.605 -11.215 1.00 0.00 C ATOM 482 CG LYS A 30 -0.156 20.094 -12.661 1.00 0.00 C ATOM 483 CD LYS A 30 -0.368 21.222 -13.681 1.00 0.00 C ATOM 484 CE LYS A 30 -1.723 21.924 -13.493 1.00 0.00 C ATOM 485 NZ LYS A 30 -1.943 22.993 -14.500 1.00 0.00 N ATOM 0 H LYS A 30 -1.659 18.831 -10.827 1.00 0.00 H new ATOM 0 HA LYS A 30 1.117 18.913 -10.476 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.950 21.129 -10.941 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.777 21.331 -11.158 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.746 19.541 -12.922 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.989 19.394 -12.724 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.435 21.953 -13.585 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -0.308 20.814 -14.690 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -2.525 21.189 -13.564 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -1.773 22.353 -12.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -2.868 23.439 -14.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -1.193 23.709 -14.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -1.922 22.580 -15.454 1.00 0.00 H new ATOM 499 N GLU A 31 -0.439 19.952 -7.871 1.00 0.00 N ATOM 500 CA GLU A 31 -0.350 20.563 -6.551 1.00 0.00 C ATOM 501 C GLU A 31 -0.319 19.507 -5.438 1.00 0.00 C ATOM 502 O GLU A 31 0.156 19.808 -4.341 1.00 0.00 O ATOM 503 CB GLU A 31 -1.554 21.508 -6.382 1.00 0.00 C ATOM 504 CG GLU A 31 -1.377 22.511 -5.232 1.00 0.00 C ATOM 505 CD GLU A 31 -2.517 23.544 -5.196 1.00 0.00 C ATOM 506 OE1 GLU A 31 -2.417 24.594 -5.872 1.00 0.00 O ATOM 507 OE2 GLU A 31 -3.515 23.335 -4.468 1.00 0.00 O ATOM 0 H GLU A 31 -1.297 19.417 -8.009 1.00 0.00 H new ATOM 0 HA GLU A 31 0.582 21.122 -6.471 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.712 22.055 -7.312 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.451 20.915 -6.204 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.342 21.975 -4.284 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.423 23.026 -5.342 1.00 0.00 H new ATOM 514 N ARG A 32 -0.776 18.272 -5.701 1.00 0.00 N ATOM 515 CA ARG A 32 -1.044 17.301 -4.634 1.00 0.00 C ATOM 516 C ARG A 32 -0.412 15.926 -4.835 1.00 0.00 C ATOM 517 O ARG A 32 -0.359 15.175 -3.860 1.00 0.00 O ATOM 518 CB ARG A 32 -2.573 17.246 -4.407 1.00 0.00 C ATOM 519 CG ARG A 32 -2.967 16.494 -3.124 1.00 0.00 C ATOM 520 CD ARG A 32 -4.394 16.782 -2.635 1.00 0.00 C ATOM 521 NE ARG A 32 -5.449 16.246 -3.522 1.00 0.00 N ATOM 522 CZ ARG A 32 -6.388 16.967 -4.152 1.00 0.00 C ATOM 523 NH1 ARG A 32 -6.300 18.295 -4.190 1.00 0.00 N ATOM 524 NH2 ARG A 32 -7.412 16.354 -4.740 1.00 0.00 N ATOM 0 H ARG A 32 -0.966 17.925 -6.641 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.546 17.650 -3.729 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.964 18.262 -4.360 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.044 16.763 -5.263 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.865 15.423 -3.299 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -2.265 16.756 -2.333 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -4.519 16.357 -1.639 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.525 17.860 -2.540 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.464 15.237 -3.668 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -5.516 18.767 -3.739 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.016 18.840 -4.670 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -7.482 15.337 -4.711 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.127 16.901 -5.219 1.00 0.00 H new ATOM 538 N ILE A 33 0.119 15.567 -6.014 1.00 0.00 N ATOM 539 CA ILE A 33 0.731 14.239 -6.154 1.00 0.00 C ATOM 540 C ILE A 33 1.913 14.068 -5.190 1.00 0.00 C ATOM 541 O ILE A 33 2.033 13.016 -4.565 1.00 0.00 O ATOM 542 CB ILE A 33 1.074 13.891 -7.621 1.00 0.00 C ATOM 543 CG1 ILE A 33 1.560 12.428 -7.757 1.00 0.00 C ATOM 544 CG2 ILE A 33 2.114 14.823 -8.276 1.00 0.00 C ATOM 545 CD1 ILE A 33 0.519 11.374 -7.361 1.00 0.00 C ATOM 0 H ILE A 33 0.138 16.150 -6.851 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.016 13.502 -5.861 1.00 0.00 H new ATOM 0 HB ILE A 33 0.135 14.033 -8.156 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.861 12.253 -8.790 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.448 12.294 -7.139 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.293 14.504 -9.303 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.738 15.846 -8.274 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.047 14.778 -7.715 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.944 10.378 -7.487 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.234 11.518 -6.319 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.361 11.476 -7.995 1.00 0.00 H new ATOM 557 N ALA A 34 2.730 15.112 -4.995 1.00 0.00 N ATOM 558 CA ALA A 34 3.850 15.065 -4.059 1.00 0.00 C ATOM 559 C ALA A 34 3.378 14.846 -2.618 1.00 0.00 C ATOM 560 O ALA A 34 4.047 14.155 -1.850 1.00 0.00 O ATOM 561 CB ALA A 34 4.671 16.354 -4.170 1.00 0.00 C ATOM 0 H ALA A 34 2.631 16.004 -5.480 1.00 0.00 H new ATOM 0 HA ALA A 34 4.478 14.214 -4.324 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.506 16.315 -3.470 1.00 0.00 H new ATOM 0 HB2 ALA A 34 5.053 16.455 -5.186 1.00 0.00 H new ATOM 0 HB3 ALA A 34 4.039 17.210 -3.933 1.00 0.00 H new ATOM 567 N THR A 35 2.232 15.419 -2.246 1.00 0.00 N ATOM 568 CA THR A 35 1.642 15.267 -0.924 1.00 0.00 C ATOM 569 C THR A 35 1.162 13.820 -0.735 1.00 0.00 C ATOM 570 O THR A 35 1.414 13.215 0.309 1.00 0.00 O ATOM 571 CB THR A 35 0.477 16.269 -0.785 1.00 0.00 C ATOM 572 OG1 THR A 35 0.789 17.508 -1.405 1.00 0.00 O ATOM 573 CG2 THR A 35 0.092 16.528 0.673 1.00 0.00 C ATOM 0 H THR A 35 1.682 16.011 -2.869 1.00 0.00 H new ATOM 0 HA THR A 35 2.380 15.477 -0.150 1.00 0.00 H new ATOM 0 HB THR A 35 -0.374 15.808 -1.286 1.00 0.00 H new ATOM 0 HG1 THR A 35 0.033 18.124 -1.304 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.732 17.240 0.711 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.215 15.592 1.140 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.949 16.936 1.209 1.00 0.00 H new ATOM 581 N ALA A 36 0.486 13.259 -1.745 1.00 0.00 N ATOM 582 CA ALA A 36 -0.096 11.925 -1.673 1.00 0.00 C ATOM 583 C ALA A 36 0.973 10.829 -1.718 1.00 0.00 C ATOM 584 O ALA A 36 0.851 9.830 -1.008 1.00 0.00 O ATOM 585 CB ALA A 36 -1.075 11.750 -2.834 1.00 0.00 C ATOM 0 H ALA A 36 0.330 13.726 -2.638 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.616 11.828 -0.720 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.517 10.755 -2.790 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.862 12.500 -2.762 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.544 11.870 -3.779 1.00 0.00 H new ATOM 591 N VAL A 37 2.007 11.005 -2.545 1.00 0.00 N ATOM 592 CA VAL A 37 3.021 9.998 -2.825 1.00 0.00 C ATOM 593 C VAL A 37 4.377 10.728 -2.884 1.00 0.00 C ATOM 594 O VAL A 37 4.781 11.194 -3.952 1.00 0.00 O ATOM 595 CB VAL A 37 2.681 9.207 -4.118 1.00 0.00 C ATOM 596 CG1 VAL A 37 3.544 7.938 -4.194 1.00 0.00 C ATOM 597 CG2 VAL A 37 1.211 8.756 -4.220 1.00 0.00 C ATOM 0 H VAL A 37 2.162 11.878 -3.050 1.00 0.00 H new ATOM 0 HA VAL A 37 3.062 9.241 -2.042 1.00 0.00 H new ATOM 0 HB VAL A 37 2.879 9.901 -4.935 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.302 7.387 -5.103 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.598 8.215 -4.208 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.345 7.310 -3.325 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.061 8.211 -5.152 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.970 8.107 -3.378 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.560 9.630 -4.202 1.00 0.00 H new ATOM 607 N PRO A 38 5.074 10.904 -1.745 1.00 0.00 N ATOM 608 CA PRO A 38 6.385 11.548 -1.728 1.00 0.00 C ATOM 609 C PRO A 38 7.483 10.634 -2.300 1.00 0.00 C ATOM 610 O PRO A 38 8.501 11.128 -2.788 1.00 0.00 O ATOM 611 CB PRO A 38 6.640 11.898 -0.259 1.00 0.00 C ATOM 612 CG PRO A 38 5.848 10.839 0.508 1.00 0.00 C ATOM 613 CD PRO A 38 4.641 10.578 -0.393 1.00 0.00 C ATOM 0 HA PRO A 38 6.404 12.435 -2.361 1.00 0.00 H new ATOM 0 HB2 PRO A 38 7.702 11.858 -0.016 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.297 12.905 -0.022 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.435 9.934 0.666 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.545 11.198 1.492 1.00 0.00 H new ATOM 0 HD2 PRO A 38 4.321 9.538 -0.325 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.792 11.193 -0.096 1.00 0.00 H new ATOM 621 N ASP A 39 7.295 9.311 -2.234 1.00 0.00 N ATOM 622 CA ASP A 39 8.158 8.320 -2.881 1.00 0.00 C ATOM 623 C ASP A 39 7.996 8.399 -4.408 1.00 0.00 C ATOM 624 O ASP A 39 6.928 8.789 -4.886 1.00 0.00 O ATOM 625 CB ASP A 39 7.782 6.923 -2.370 1.00 0.00 C ATOM 626 CG ASP A 39 8.645 5.844 -3.033 1.00 0.00 C ATOM 627 OD1 ASP A 39 9.763 5.575 -2.539 1.00 0.00 O ATOM 628 OD2 ASP A 39 8.209 5.294 -4.066 1.00 0.00 O ATOM 0 H ASP A 39 6.522 8.892 -1.718 1.00 0.00 H new ATOM 0 HA ASP A 39 9.201 8.523 -2.639 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.909 6.881 -1.288 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.729 6.728 -2.575 1.00 0.00 H new ATOM 633 N LYS A 40 9.025 8.022 -5.183 1.00 0.00 N ATOM 634 CA LYS A 40 8.999 8.117 -6.648 1.00 0.00 C ATOM 635 C LYS A 40 9.416 6.801 -7.320 1.00 0.00 C ATOM 636 O LYS A 40 10.095 6.823 -8.350 1.00 0.00 O ATOM 637 CB LYS A 40 9.792 9.339 -7.158 1.00 0.00 C ATOM 638 CG LYS A 40 9.295 10.659 -6.541 1.00 0.00 C ATOM 639 CD LYS A 40 9.994 11.907 -7.095 1.00 0.00 C ATOM 640 CE LYS A 40 9.598 12.198 -8.550 1.00 0.00 C ATOM 641 NZ LYS A 40 10.132 13.504 -9.013 1.00 0.00 N ATOM 0 H LYS A 40 9.896 7.644 -4.811 1.00 0.00 H new ATOM 0 HA LYS A 40 7.963 8.285 -6.944 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.848 9.207 -6.924 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.710 9.395 -8.243 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.223 10.748 -6.714 1.00 0.00 H new ATOM 0 HG3 LYS A 40 9.441 10.622 -5.462 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.744 12.767 -6.474 1.00 0.00 H new ATOM 0 HD3 LYS A 40 11.074 11.773 -7.034 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.972 11.403 -9.195 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.512 12.197 -8.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.579 13.835 -9.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.063 14.200 -8.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.128 13.393 -9.291 1.00 0.00 H new ATOM 655 N ASN A 41 9.065 5.649 -6.736 1.00 0.00 N ATOM 656 CA ASN A 41 9.406 4.331 -7.281 1.00 0.00 C ATOM 657 C ASN A 41 8.294 3.294 -7.088 1.00 0.00 C ATOM 658 O ASN A 41 8.127 2.424 -7.944 1.00 0.00 O ATOM 659 CB ASN A 41 10.689 3.818 -6.611 1.00 0.00 C ATOM 660 CG ASN A 41 11.070 2.435 -7.134 1.00 0.00 C ATOM 661 OD1 ASN A 41 11.427 2.277 -8.299 1.00 0.00 O ATOM 662 ND2 ASN A 41 11.012 1.410 -6.299 1.00 0.00 N ATOM 0 H ASN A 41 8.533 5.606 -5.867 1.00 0.00 H new ATOM 0 HA ASN A 41 9.547 4.460 -8.354 1.00 0.00 H new ATOM 0 HB2 ASN A 41 11.504 4.517 -6.797 1.00 0.00 H new ATOM 0 HB3 ASN A 41 10.546 3.775 -5.531 1.00 0.00 H new ATOM 0 HD21 ASN A 41 11.265 0.476 -6.620 1.00 0.00 H new ATOM 0 HD22 ASN A 41 10.714 1.554 -5.334 1.00 0.00 H new ATOM 669 N ASP A 42 7.552 3.350 -5.980 1.00 0.00 N ATOM 670 CA ASP A 42 6.495 2.388 -5.659 1.00 0.00 C ATOM 671 C ASP A 42 5.354 2.446 -6.681 1.00 0.00 C ATOM 672 O ASP A 42 5.099 3.495 -7.271 1.00 0.00 O ATOM 673 CB ASP A 42 5.955 2.657 -4.252 1.00 0.00 C ATOM 674 CG ASP A 42 4.892 1.623 -3.863 1.00 0.00 C ATOM 675 OD1 ASP A 42 5.160 0.410 -4.015 1.00 0.00 O ATOM 676 OD2 ASP A 42 3.810 2.018 -3.383 1.00 0.00 O ATOM 0 H ASP A 42 7.670 4.074 -5.271 1.00 0.00 H new ATOM 0 HA ASP A 42 6.927 1.388 -5.697 1.00 0.00 H new ATOM 0 HB2 ASP A 42 6.774 2.630 -3.533 1.00 0.00 H new ATOM 0 HB3 ASP A 42 5.526 3.658 -4.209 1.00 0.00 H new ATOM 681 N THR A 43 4.662 1.330 -6.903 1.00 0.00 N ATOM 682 CA THR A 43 3.631 1.212 -7.926 1.00 0.00 C ATOM 683 C THR A 43 2.476 2.183 -7.641 1.00 0.00 C ATOM 684 O THR A 43 1.938 2.215 -6.530 1.00 0.00 O ATOM 685 CB THR A 43 3.143 -0.249 -7.972 1.00 0.00 C ATOM 686 OG1 THR A 43 4.254 -1.134 -7.974 1.00 0.00 O ATOM 687 CG2 THR A 43 2.288 -0.529 -9.214 1.00 0.00 C ATOM 0 H THR A 43 4.805 0.473 -6.369 1.00 0.00 H new ATOM 0 HA THR A 43 4.041 1.479 -8.900 1.00 0.00 H new ATOM 0 HB THR A 43 2.529 -0.411 -7.086 1.00 0.00 H new ATOM 0 HG1 THR A 43 3.935 -2.060 -8.002 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.965 -1.570 -9.206 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.414 0.122 -9.208 1.00 0.00 H new ATOM 0 HG23 THR A 43 2.876 -0.338 -10.111 1.00 0.00 H new ATOM 695 N VAL A 44 2.043 2.923 -8.663 1.00 0.00 N ATOM 696 CA VAL A 44 0.887 3.807 -8.609 1.00 0.00 C ATOM 697 C VAL A 44 0.053 3.512 -9.855 1.00 0.00 C ATOM 698 O VAL A 44 0.597 3.334 -10.949 1.00 0.00 O ATOM 699 CB VAL A 44 1.358 5.279 -8.552 1.00 0.00 C ATOM 700 CG1 VAL A 44 0.184 6.269 -8.610 1.00 0.00 C ATOM 701 CG2 VAL A 44 2.171 5.599 -7.287 1.00 0.00 C ATOM 0 H VAL A 44 2.502 2.921 -9.574 1.00 0.00 H new ATOM 0 HA VAL A 44 0.283 3.641 -7.717 1.00 0.00 H new ATOM 0 HB VAL A 44 1.992 5.396 -9.431 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.566 7.289 -8.567 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.366 6.127 -9.540 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.481 6.095 -7.764 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.473 6.646 -7.304 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.559 5.412 -6.404 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.058 4.966 -7.254 1.00 0.00 H new ATOM 711 N LYS A 45 -1.270 3.478 -9.700 1.00 0.00 N ATOM 712 CA LYS A 45 -2.216 3.254 -10.782 1.00 0.00 C ATOM 713 C LYS A 45 -3.131 4.463 -10.857 1.00 0.00 C ATOM 714 O LYS A 45 -3.579 4.958 -9.819 1.00 0.00 O ATOM 715 CB LYS A 45 -3.010 1.963 -10.523 1.00 0.00 C ATOM 716 CG LYS A 45 -2.140 0.721 -10.767 1.00 0.00 C ATOM 717 CD LYS A 45 -2.871 -0.569 -10.375 1.00 0.00 C ATOM 718 CE LYS A 45 -1.998 -1.775 -10.750 1.00 0.00 C ATOM 719 NZ LYS A 45 -2.528 -3.045 -10.202 1.00 0.00 N ATOM 0 H LYS A 45 -1.720 3.609 -8.794 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.699 3.132 -11.734 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.377 1.958 -9.497 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.884 1.933 -11.174 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.859 0.675 -11.819 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.217 0.805 -10.194 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.079 -0.573 -9.305 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.832 -0.627 -10.886 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.932 -1.850 -11.835 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.985 -1.617 -10.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.944 -3.838 -10.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.503 -3.012 -9.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.509 -3.178 -10.521 1.00 0.00 H new ATOM 733 N VAL A 46 -3.433 4.914 -12.071 1.00 0.00 N ATOM 734 CA VAL A 46 -4.349 6.020 -12.320 1.00 0.00 C ATOM 735 C VAL A 46 -5.495 5.506 -13.181 1.00 0.00 C ATOM 736 O VAL A 46 -5.279 4.702 -14.094 1.00 0.00 O ATOM 737 CB VAL A 46 -3.621 7.239 -12.937 1.00 0.00 C ATOM 738 CG1 VAL A 46 -2.730 7.935 -11.899 1.00 0.00 C ATOM 739 CG2 VAL A 46 -2.766 6.910 -14.171 1.00 0.00 C ATOM 0 H VAL A 46 -3.041 4.514 -12.923 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.760 6.387 -11.379 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.424 7.899 -13.265 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.231 8.787 -12.361 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.343 8.280 -11.066 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.982 7.232 -11.532 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.292 7.820 -14.539 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.998 6.186 -13.899 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.400 6.490 -14.952 1.00 0.00 H new ATOM 749 N TYR A 47 -6.712 5.972 -12.920 1.00 0.00 N ATOM 750 CA TYR A 47 -7.874 5.710 -13.760 1.00 0.00 C ATOM 751 C TYR A 47 -8.792 6.926 -13.706 1.00 0.00 C ATOM 752 O TYR A 47 -8.642 7.767 -12.814 1.00 0.00 O ATOM 753 CB TYR A 47 -8.598 4.432 -13.316 1.00 0.00 C ATOM 754 CG TYR A 47 -9.614 4.598 -12.200 1.00 0.00 C ATOM 755 CD1 TYR A 47 -10.950 4.902 -12.530 1.00 0.00 C ATOM 756 CD2 TYR A 47 -9.238 4.472 -10.849 1.00 0.00 C ATOM 757 CE1 TYR A 47 -11.899 5.116 -11.522 1.00 0.00 C ATOM 758 CE2 TYR A 47 -10.195 4.648 -9.831 1.00 0.00 C ATOM 759 CZ TYR A 47 -11.527 4.981 -10.167 1.00 0.00 C ATOM 760 OH TYR A 47 -12.457 5.182 -9.192 1.00 0.00 O ATOM 0 H TYR A 47 -6.921 6.551 -12.107 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.558 5.545 -14.790 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.105 4.005 -14.182 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -7.850 3.707 -12.995 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -11.244 4.970 -13.567 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -8.215 4.240 -10.593 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -12.913 5.384 -11.781 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -9.912 4.529 -8.796 1.00 0.00 H new ATOM 0 HH TYR A 47 -13.353 5.172 -9.588 1.00 0.00 H new ATOM 770 N CYS A 48 -9.729 7.035 -14.650 1.00 0.00 N ATOM 771 CA CYS A 48 -10.727 8.090 -14.634 1.00 0.00 C ATOM 772 C CYS A 48 -11.939 7.714 -15.497 1.00 0.00 C ATOM 773 O CYS A 48 -12.211 6.528 -15.696 1.00 0.00 O ATOM 774 CB CYS A 48 -10.077 9.408 -15.080 1.00 0.00 C ATOM 775 SG CYS A 48 -9.499 9.260 -16.794 1.00 0.00 S ATOM 0 H CYS A 48 -9.812 6.395 -15.440 1.00 0.00 H new ATOM 0 HA CYS A 48 -11.103 8.223 -13.620 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -10.795 10.224 -14.998 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -9.241 9.652 -14.424 1.00 0.00 H new ATOM 0 HG CYS A 48 -10.502 9.420 -17.605 1.00 0.00 H new ATOM 781 N ASN A 49 -12.669 8.711 -16.013 1.00 0.00 N ATOM 782 CA ASN A 49 -13.713 8.519 -17.010 1.00 0.00 C ATOM 783 C ASN A 49 -13.089 8.687 -18.396 1.00 0.00 C ATOM 784 O ASN A 49 -12.400 9.680 -18.646 1.00 0.00 O ATOM 785 CB ASN A 49 -14.832 9.552 -16.817 1.00 0.00 C ATOM 786 CG ASN A 49 -15.900 9.392 -17.894 1.00 0.00 C ATOM 787 OD1 ASN A 49 -15.969 10.165 -18.844 1.00 0.00 O ATOM 788 ND2 ASN A 49 -16.732 8.367 -17.789 1.00 0.00 N ATOM 0 H ASN A 49 -12.544 9.686 -15.741 1.00 0.00 H new ATOM 0 HA ASN A 49 -14.144 7.523 -16.906 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -15.281 9.431 -15.831 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -14.416 10.559 -16.856 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -17.443 8.212 -18.504 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -16.662 7.733 -16.993 1.00 0.00 H new ATOM 795 N ALA A 50 -13.344 7.724 -19.289 1.00 0.00 N ATOM 796 CA ALA A 50 -12.832 7.655 -20.661 1.00 0.00 C ATOM 797 C ALA A 50 -11.298 7.726 -20.776 1.00 0.00 C ATOM 798 O ALA A 50 -10.779 8.019 -21.855 1.00 0.00 O ATOM 799 CB ALA A 50 -13.552 8.691 -21.540 1.00 0.00 C ATOM 0 H ALA A 50 -13.944 6.931 -19.062 1.00 0.00 H new ATOM 0 HA ALA A 50 -13.064 6.659 -21.037 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -13.167 8.635 -22.558 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -14.622 8.483 -21.545 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -13.378 9.690 -21.141 1.00 0.00 H new ATOM 805 N GLY A 51 -10.555 7.483 -19.691 1.00 0.00 N ATOM 806 CA GLY A 51 -9.095 7.382 -19.682 1.00 0.00 C ATOM 807 C GLY A 51 -8.348 8.697 -19.939 1.00 0.00 C ATOM 808 O GLY A 51 -7.143 8.754 -19.697 1.00 0.00 O ATOM 0 H GLY A 51 -10.967 7.347 -18.768 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.780 6.987 -18.716 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.792 6.657 -20.438 1.00 0.00 H new ATOM 812 N ARG A 52 -9.010 9.765 -20.405 1.00 0.00 N ATOM 813 CA ARG A 52 -8.326 10.985 -20.844 1.00 0.00 C ATOM 814 C ARG A 52 -7.607 11.671 -19.706 1.00 0.00 C ATOM 815 O ARG A 52 -6.445 12.018 -19.885 1.00 0.00 O ATOM 816 CB ARG A 52 -9.282 11.953 -21.569 1.00 0.00 C ATOM 817 CG ARG A 52 -10.051 11.364 -22.767 1.00 0.00 C ATOM 818 CD ARG A 52 -9.151 10.614 -23.760 1.00 0.00 C ATOM 819 NE ARG A 52 -9.803 10.435 -25.070 1.00 0.00 N ATOM 820 CZ ARG A 52 -10.580 9.415 -25.461 1.00 0.00 C ATOM 821 NH1 ARG A 52 -10.914 8.435 -24.624 1.00 0.00 N ATOM 822 NH2 ARG A 52 -11.029 9.381 -26.712 1.00 0.00 N ATOM 0 H ARG A 52 -10.026 9.806 -20.487 1.00 0.00 H new ATOM 0 HA ARG A 52 -7.570 10.676 -21.565 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -10.006 12.328 -20.846 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.706 12.810 -21.917 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -10.818 10.683 -22.398 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -10.565 12.170 -23.291 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -8.219 11.164 -23.891 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.891 9.639 -23.348 1.00 0.00 H new ATOM 0 HE ARG A 52 -9.645 11.172 -25.758 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -10.577 8.450 -23.661 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -11.507 7.670 -24.945 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -10.782 10.126 -27.363 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -11.621 8.610 -27.021 1.00 0.00 H new ATOM 836 N GLN A 53 -8.238 11.811 -18.538 1.00 0.00 N ATOM 837 CA GLN A 53 -7.578 12.428 -17.392 1.00 0.00 C ATOM 838 C GLN A 53 -6.372 11.578 -16.959 1.00 0.00 C ATOM 839 O GLN A 53 -5.394 12.142 -16.488 1.00 0.00 O ATOM 840 CB GLN A 53 -8.532 12.702 -16.207 1.00 0.00 C ATOM 841 CG GLN A 53 -9.795 13.540 -16.497 1.00 0.00 C ATOM 842 CD GLN A 53 -10.981 12.660 -16.919 1.00 0.00 C ATOM 843 OE1 GLN A 53 -11.689 12.110 -16.082 1.00 0.00 O ATOM 844 NE2 GLN A 53 -11.216 12.466 -18.207 1.00 0.00 N ATOM 0 H GLN A 53 -9.196 11.508 -18.364 1.00 0.00 H new ATOM 0 HA GLN A 53 -7.228 13.408 -17.715 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -8.850 11.742 -15.800 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.964 13.207 -15.426 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.064 14.110 -15.608 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.579 14.261 -17.285 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -10.630 12.921 -18.907 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -11.983 11.861 -18.500 1.00 0.00 H new ATOM 853 N SER A 54 -6.396 10.252 -17.145 1.00 0.00 N ATOM 854 CA SER A 54 -5.295 9.358 -16.791 1.00 0.00 C ATOM 855 C SER A 54 -4.137 9.454 -17.775 1.00 0.00 C ATOM 856 O SER A 54 -2.991 9.523 -17.335 1.00 0.00 O ATOM 857 CB SER A 54 -5.786 7.915 -16.725 1.00 0.00 C ATOM 858 OG SER A 54 -6.899 7.830 -15.860 1.00 0.00 O ATOM 0 H SER A 54 -7.195 9.766 -17.552 1.00 0.00 H new ATOM 0 HA SER A 54 -4.931 9.672 -15.813 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.060 7.568 -17.721 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.987 7.265 -16.370 1.00 0.00 H new ATOM 0 HG SER A 54 -7.692 8.187 -16.311 1.00 0.00 H new ATOM 864 N GLY A 55 -4.409 9.495 -19.082 1.00 0.00 N ATOM 865 CA GLY A 55 -3.370 9.702 -20.082 1.00 0.00 C ATOM 866 C GLY A 55 -2.716 11.060 -19.847 1.00 0.00 C ATOM 867 O GLY A 55 -1.500 11.152 -19.698 1.00 0.00 O ATOM 0 H GLY A 55 -5.346 9.386 -19.469 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -2.624 8.909 -20.019 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.798 9.659 -21.084 1.00 0.00 H new ATOM 871 N GLN A 56 -3.543 12.095 -19.700 1.00 0.00 N ATOM 872 CA GLN A 56 -3.115 13.451 -19.400 1.00 0.00 C ATOM 873 C GLN A 56 -2.316 13.525 -18.091 1.00 0.00 C ATOM 874 O GLN A 56 -1.299 14.218 -18.035 1.00 0.00 O ATOM 875 CB GLN A 56 -4.366 14.343 -19.378 1.00 0.00 C ATOM 876 CG GLN A 56 -4.816 14.750 -20.790 1.00 0.00 C ATOM 877 CD GLN A 56 -4.028 15.948 -21.328 1.00 0.00 C ATOM 878 OE1 GLN A 56 -4.428 17.096 -21.149 1.00 0.00 O ATOM 879 NE2 GLN A 56 -2.901 15.738 -21.990 1.00 0.00 N ATOM 0 H GLN A 56 -4.555 12.005 -19.790 1.00 0.00 H new ATOM 0 HA GLN A 56 -2.429 13.806 -20.170 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -5.178 13.814 -18.878 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -4.161 15.239 -18.792 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -4.693 13.904 -21.466 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.878 14.994 -20.774 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -2.567 14.786 -22.140 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -2.366 16.528 -22.350 1.00 0.00 H new ATOM 888 N ALA A 57 -2.730 12.796 -17.049 1.00 0.00 N ATOM 889 CA ALA A 57 -2.001 12.756 -15.792 1.00 0.00 C ATOM 890 C ALA A 57 -0.664 12.045 -15.987 1.00 0.00 C ATOM 891 O ALA A 57 0.352 12.550 -15.523 1.00 0.00 O ATOM 892 CB ALA A 57 -2.838 12.093 -14.691 1.00 0.00 C ATOM 0 H ALA A 57 -3.574 12.224 -17.060 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.800 13.778 -15.470 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.269 12.076 -13.762 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.758 12.659 -14.543 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.083 11.072 -14.985 1.00 0.00 H new ATOM 898 N LYS A 58 -0.611 10.911 -16.697 1.00 0.00 N ATOM 899 CA LYS A 58 0.665 10.245 -16.940 1.00 0.00 C ATOM 900 C LYS A 58 1.597 11.151 -17.743 1.00 0.00 C ATOM 901 O LYS A 58 2.798 11.129 -17.478 1.00 0.00 O ATOM 902 CB LYS A 58 0.485 8.863 -17.593 1.00 0.00 C ATOM 903 CG LYS A 58 1.845 8.142 -17.594 1.00 0.00 C ATOM 904 CD LYS A 58 1.830 6.720 -18.162 1.00 0.00 C ATOM 905 CE LYS A 58 3.219 6.066 -18.025 1.00 0.00 C ATOM 906 NZ LYS A 58 4.308 6.811 -18.715 1.00 0.00 N ATOM 0 H LYS A 58 -1.422 10.446 -17.104 1.00 0.00 H new ATOM 0 HA LYS A 58 1.135 10.058 -15.974 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.253 8.278 -17.044 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.113 8.971 -18.612 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.554 8.738 -18.169 1.00 0.00 H new ATOM 0 HG3 LYS A 58 2.218 8.103 -16.571 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.087 6.121 -17.637 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.536 6.745 -19.211 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.466 5.979 -16.967 1.00 0.00 H new ATOM 0 HE3 LYS A 58 3.174 5.054 -18.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.190 6.262 -18.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 4.049 6.962 -19.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.447 7.731 -18.251 1.00 0.00 H new ATOM 920 N GLU A 59 1.089 11.950 -18.684 1.00 0.00 N ATOM 921 CA GLU A 59 1.919 12.852 -19.474 1.00 0.00 C ATOM 922 C GLU A 59 2.666 13.829 -18.559 1.00 0.00 C ATOM 923 O GLU A 59 3.895 13.891 -18.634 1.00 0.00 O ATOM 924 CB GLU A 59 1.087 13.591 -20.537 1.00 0.00 C ATOM 925 CG GLU A 59 0.749 12.700 -21.741 1.00 0.00 C ATOM 926 CD GLU A 59 -0.178 13.419 -22.738 1.00 0.00 C ATOM 927 OE1 GLU A 59 -1.413 13.439 -22.528 1.00 0.00 O ATOM 928 OE2 GLU A 59 0.323 13.961 -23.750 1.00 0.00 O ATOM 0 H GLU A 59 0.097 11.988 -18.916 1.00 0.00 H new ATOM 0 HA GLU A 59 2.661 12.257 -20.008 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.163 13.952 -20.085 1.00 0.00 H new ATOM 0 HB3 GLU A 59 1.637 14.467 -20.880 1.00 0.00 H new ATOM 0 HG2 GLU A 59 1.669 12.406 -22.246 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.270 11.785 -21.393 1.00 0.00 H new ATOM 935 N ILE A 60 1.976 14.553 -17.663 1.00 0.00 N ATOM 936 CA ILE A 60 2.658 15.473 -16.760 1.00 0.00 C ATOM 937 C ILE A 60 3.515 14.700 -15.752 1.00 0.00 C ATOM 938 O ILE A 60 4.640 15.106 -15.473 1.00 0.00 O ATOM 939 CB ILE A 60 1.660 16.445 -16.093 1.00 0.00 C ATOM 940 CG1 ILE A 60 0.677 15.748 -15.125 1.00 0.00 C ATOM 941 CG2 ILE A 60 0.933 17.256 -17.187 1.00 0.00 C ATOM 942 CD1 ILE A 60 -0.406 16.652 -14.542 1.00 0.00 C ATOM 0 H ILE A 60 0.963 14.516 -17.551 1.00 0.00 H new ATOM 0 HA ILE A 60 3.340 16.096 -17.339 1.00 0.00 H new ATOM 0 HB ILE A 60 2.227 17.128 -15.460 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.196 14.923 -15.651 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.247 15.313 -14.304 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.227 17.944 -16.721 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.663 17.822 -17.766 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.395 16.576 -17.847 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.045 16.072 -13.876 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.060 17.463 -13.982 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.007 17.068 -15.351 1.00 0.00 H new ATOM 954 N LEU A 61 3.027 13.565 -15.241 1.00 0.00 N ATOM 955 CA LEU A 61 3.713 12.810 -14.201 1.00 0.00 C ATOM 956 C LEU A 61 5.037 12.257 -14.714 1.00 0.00 C ATOM 957 O LEU A 61 6.033 12.332 -13.999 1.00 0.00 O ATOM 958 CB LEU A 61 2.807 11.688 -13.666 1.00 0.00 C ATOM 959 CG LEU A 61 1.685 12.215 -12.748 1.00 0.00 C ATOM 960 CD1 LEU A 61 0.660 11.114 -12.451 1.00 0.00 C ATOM 961 CD2 LEU A 61 2.229 12.748 -11.422 1.00 0.00 C ATOM 0 H LEU A 61 2.145 13.148 -15.540 1.00 0.00 H new ATOM 0 HA LEU A 61 3.938 13.485 -13.375 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.363 11.154 -14.506 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.413 10.969 -13.116 1.00 0.00 H new ATOM 0 HG LEU A 61 1.207 13.035 -13.285 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.121 11.510 -11.802 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.216 10.769 -13.385 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.156 10.280 -11.955 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.403 13.108 -10.808 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.751 11.949 -10.895 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.921 13.567 -11.616 1.00 0.00 H new ATOM 973 N SER A 62 5.086 11.764 -15.950 1.00 0.00 N ATOM 974 CA SER A 62 6.316 11.242 -16.531 1.00 0.00 C ATOM 975 C SER A 62 7.365 12.359 -16.640 1.00 0.00 C ATOM 976 O SER A 62 8.531 12.133 -16.316 1.00 0.00 O ATOM 977 CB SER A 62 6.025 10.588 -17.889 1.00 0.00 C ATOM 978 OG SER A 62 5.009 9.599 -17.772 1.00 0.00 O ATOM 0 H SER A 62 4.279 11.716 -16.571 1.00 0.00 H new ATOM 0 HA SER A 62 6.727 10.471 -15.880 1.00 0.00 H new ATOM 0 HB2 SER A 62 5.715 11.350 -18.604 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.935 10.134 -18.281 1.00 0.00 H new ATOM 0 HG SER A 62 4.146 10.034 -17.608 1.00 0.00 H new ATOM 984 N GLU A 63 6.959 13.581 -17.009 1.00 0.00 N ATOM 985 CA GLU A 63 7.861 14.733 -17.064 1.00 0.00 C ATOM 986 C GLU A 63 8.294 15.162 -15.653 1.00 0.00 C ATOM 987 O GLU A 63 9.440 15.568 -15.459 1.00 0.00 O ATOM 988 CB GLU A 63 7.188 15.901 -17.805 1.00 0.00 C ATOM 989 CG GLU A 63 6.973 15.637 -19.305 1.00 0.00 C ATOM 990 CD GLU A 63 8.298 15.534 -20.083 1.00 0.00 C ATOM 991 OE1 GLU A 63 8.899 16.582 -20.414 1.00 0.00 O ATOM 992 OE2 GLU A 63 8.746 14.407 -20.394 1.00 0.00 O ATOM 0 H GLU A 63 5.998 13.796 -17.277 1.00 0.00 H new ATOM 0 HA GLU A 63 8.756 14.441 -17.613 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.225 16.109 -17.339 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.799 16.796 -17.686 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.409 14.713 -19.430 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.368 16.439 -19.729 1.00 0.00 H new ATOM 999 N MET A 64 7.412 15.023 -14.656 1.00 0.00 N ATOM 1000 CA MET A 64 7.706 15.260 -13.240 1.00 0.00 C ATOM 1001 C MET A 64 8.563 14.134 -12.630 1.00 0.00 C ATOM 1002 O MET A 64 8.890 14.194 -11.444 1.00 0.00 O ATOM 1003 CB MET A 64 6.390 15.426 -12.455 1.00 0.00 C ATOM 1004 CG MET A 64 5.610 16.692 -12.842 1.00 0.00 C ATOM 1005 SD MET A 64 3.875 16.728 -12.298 1.00 0.00 S ATOM 1006 CE MET A 64 4.083 16.819 -10.499 1.00 0.00 C ATOM 0 H MET A 64 6.447 14.734 -14.818 1.00 0.00 H new ATOM 0 HA MET A 64 8.289 16.178 -13.169 1.00 0.00 H new ATOM 0 HB2 MET A 64 5.760 14.553 -12.625 1.00 0.00 H new ATOM 0 HB3 MET A 64 6.612 15.456 -11.388 1.00 0.00 H new ATOM 0 HG2 MET A 64 6.123 17.558 -12.424 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.637 16.799 -13.926 1.00 0.00 H new ATOM 0 HE1 MET A 64 3.105 16.884 -10.022 1.00 0.00 H new ATOM 0 HE2 MET A 64 4.600 15.926 -10.147 1.00 0.00 H new ATOM 0 HE3 MET A 64 4.670 17.702 -10.245 1.00 0.00 H new ATOM 1016 N GLY A 65 8.924 13.094 -13.389 1.00 0.00 N ATOM 1017 CA GLY A 65 9.736 11.978 -12.911 1.00 0.00 C ATOM 1018 C GLY A 65 8.923 10.922 -12.157 1.00 0.00 C ATOM 1019 O GLY A 65 9.486 9.929 -11.701 1.00 0.00 O ATOM 0 H GLY A 65 8.654 13.006 -14.369 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.232 11.508 -13.760 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.519 12.361 -12.256 1.00 0.00 H new ATOM 1023 N TYR A 66 7.602 11.086 -12.054 1.00 0.00 N ATOM 1024 CA TYR A 66 6.661 10.082 -11.563 1.00 0.00 C ATOM 1025 C TYR A 66 6.398 9.060 -12.687 1.00 0.00 C ATOM 1026 O TYR A 66 5.270 8.847 -13.127 1.00 0.00 O ATOM 1027 CB TYR A 66 5.387 10.771 -11.041 1.00 0.00 C ATOM 1028 CG TYR A 66 5.515 11.352 -9.646 1.00 0.00 C ATOM 1029 CD1 TYR A 66 6.062 12.634 -9.441 1.00 0.00 C ATOM 1030 CD2 TYR A 66 5.079 10.593 -8.544 1.00 0.00 C ATOM 1031 CE1 TYR A 66 6.196 13.143 -8.135 1.00 0.00 C ATOM 1032 CE2 TYR A 66 5.223 11.086 -7.239 1.00 0.00 C ATOM 1033 CZ TYR A 66 5.789 12.362 -7.028 1.00 0.00 C ATOM 1034 OH TYR A 66 5.955 12.833 -5.765 1.00 0.00 O ATOM 0 H TYR A 66 7.143 11.957 -12.321 1.00 0.00 H new ATOM 0 HA TYR A 66 7.073 9.532 -10.717 1.00 0.00 H new ATOM 0 HB2 TYR A 66 5.112 11.570 -11.730 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.570 10.050 -11.047 1.00 0.00 H new ATOM 0 HD1 TYR A 66 6.379 13.227 -10.286 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.630 9.624 -8.704 1.00 0.00 H new ATOM 0 HE1 TYR A 66 6.609 14.129 -7.979 1.00 0.00 H new ATOM 0 HE2 TYR A 66 4.902 10.491 -6.397 1.00 0.00 H new ATOM 0 HH TYR A 66 5.536 12.217 -5.128 1.00 0.00 H new ATOM 1044 N THR A 67 7.470 8.464 -13.213 1.00 0.00 N ATOM 1045 CA THR A 67 7.444 7.505 -14.318 1.00 0.00 C ATOM 1046 C THR A 67 6.765 6.177 -13.912 1.00 0.00 C ATOM 1047 O THR A 67 6.209 5.469 -14.753 1.00 0.00 O ATOM 1048 CB THR A 67 8.902 7.341 -14.809 1.00 0.00 C ATOM 1049 OG1 THR A 67 8.992 6.566 -15.988 1.00 0.00 O ATOM 1050 CG2 THR A 67 9.844 6.734 -13.753 1.00 0.00 C ATOM 0 H THR A 67 8.413 8.643 -12.869 1.00 0.00 H new ATOM 0 HA THR A 67 6.831 7.870 -15.142 1.00 0.00 H new ATOM 0 HB THR A 67 9.227 8.361 -15.015 1.00 0.00 H new ATOM 0 HG1 THR A 67 9.931 6.492 -16.260 1.00 0.00 H new ATOM 0 HG21 THR A 67 10.849 6.649 -14.168 1.00 0.00 H new ATOM 0 HG22 THR A 67 9.868 7.378 -12.874 1.00 0.00 H new ATOM 0 HG23 THR A 67 9.484 5.745 -13.469 1.00 0.00 H new ATOM 1058 N HIS A 68 6.772 5.856 -12.614 1.00 0.00 N ATOM 1059 CA HIS A 68 6.298 4.620 -11.982 1.00 0.00 C ATOM 1060 C HIS A 68 4.760 4.566 -11.856 1.00 0.00 C ATOM 1061 O HIS A 68 4.211 4.027 -10.890 1.00 0.00 O ATOM 1062 CB HIS A 68 7.009 4.498 -10.619 1.00 0.00 C ATOM 1063 CG HIS A 68 6.731 5.673 -9.712 1.00 0.00 C ATOM 1064 ND1 HIS A 68 5.776 5.728 -8.727 1.00 0.00 N ATOM 1065 CD2 HIS A 68 7.291 6.919 -9.793 1.00 0.00 C ATOM 1066 CE1 HIS A 68 5.741 6.976 -8.242 1.00 0.00 C ATOM 1067 NE2 HIS A 68 6.636 7.746 -8.882 1.00 0.00 N ATOM 0 H HIS A 68 7.140 6.508 -11.921 1.00 0.00 H new ATOM 0 HA HIS A 68 6.547 3.764 -12.610 1.00 0.00 H new ATOM 0 HB2 HIS A 68 6.688 3.580 -10.127 1.00 0.00 H new ATOM 0 HB3 HIS A 68 8.084 4.414 -10.780 1.00 0.00 H new ATOM 0 HD1 HIS A 68 5.193 4.951 -8.417 1.00 0.00 H new ATOM 0 HD2 HIS A 68 8.099 7.210 -10.448 1.00 0.00 H new ATOM 0 HE1 HIS A 68 5.088 7.314 -7.451 1.00 0.00 H new ATOM 1075 N VAL A 69 4.062 5.147 -12.828 1.00 0.00 N ATOM 1076 CA VAL A 69 2.618 5.328 -12.856 1.00 0.00 C ATOM 1077 C VAL A 69 2.116 4.609 -14.110 1.00 0.00 C ATOM 1078 O VAL A 69 2.756 4.681 -15.162 1.00 0.00 O ATOM 1079 CB VAL A 69 2.297 6.841 -12.858 1.00 0.00 C ATOM 1080 CG1 VAL A 69 0.790 7.106 -12.998 1.00 0.00 C ATOM 1081 CG2 VAL A 69 2.783 7.544 -11.578 1.00 0.00 C ATOM 0 H VAL A 69 4.515 5.523 -13.661 1.00 0.00 H new ATOM 0 HA VAL A 69 2.120 4.909 -11.982 1.00 0.00 H new ATOM 0 HB VAL A 69 2.828 7.246 -13.719 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.608 8.181 -12.995 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.431 6.680 -13.935 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.261 6.646 -12.164 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.534 8.604 -11.628 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.297 7.098 -10.711 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.863 7.429 -11.487 1.00 0.00 H new ATOM 1091 N GLU A 70 0.973 3.930 -14.016 1.00 0.00 N ATOM 1092 CA GLU A 70 0.377 3.180 -15.115 1.00 0.00 C ATOM 1093 C GLU A 70 -1.129 3.445 -15.121 1.00 0.00 C ATOM 1094 O GLU A 70 -1.749 3.551 -14.059 1.00 0.00 O ATOM 1095 CB GLU A 70 0.706 1.688 -14.927 1.00 0.00 C ATOM 1096 CG GLU A 70 0.192 0.815 -16.080 1.00 0.00 C ATOM 1097 CD GLU A 70 0.669 -0.641 -15.943 1.00 0.00 C ATOM 1098 OE1 GLU A 70 -0.008 -1.451 -15.269 1.00 0.00 O ATOM 1099 OE2 GLU A 70 1.718 -1.001 -16.526 1.00 0.00 O ATOM 0 H GLU A 70 0.427 3.887 -13.156 1.00 0.00 H new ATOM 0 HA GLU A 70 0.778 3.491 -16.080 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.786 1.567 -14.839 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.269 1.340 -13.991 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.898 0.841 -16.100 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.538 1.224 -17.029 1.00 0.00 H new ATOM 1106 N ASN A 71 -1.730 3.568 -16.308 1.00 0.00 N ATOM 1107 CA ASN A 71 -3.176 3.704 -16.421 1.00 0.00 C ATOM 1108 C ASN A 71 -3.821 2.324 -16.305 1.00 0.00 C ATOM 1109 O ASN A 71 -3.623 1.478 -17.179 1.00 0.00 O ATOM 1110 CB ASN A 71 -3.583 4.394 -17.730 1.00 0.00 C ATOM 1111 CG ASN A 71 -5.098 4.359 -17.936 1.00 0.00 C ATOM 1112 OD1 ASN A 71 -5.578 4.003 -19.006 1.00 0.00 O ATOM 1113 ND2 ASN A 71 -5.888 4.703 -16.928 1.00 0.00 N ATOM 0 H ASN A 71 -1.235 3.576 -17.200 1.00 0.00 H new ATOM 0 HA ASN A 71 -3.530 4.339 -15.609 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -3.240 5.429 -17.719 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -3.089 3.904 -18.569 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -6.901 4.672 -17.041 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.482 4.998 -16.040 1.00 0.00 H new ATOM 1120 N ALA A 72 -4.594 2.100 -15.239 1.00 0.00 N ATOM 1121 CA ALA A 72 -5.310 0.845 -15.028 1.00 0.00 C ATOM 1122 C ALA A 72 -6.456 0.660 -16.034 1.00 0.00 C ATOM 1123 O ALA A 72 -6.791 -0.478 -16.367 1.00 0.00 O ATOM 1124 CB ALA A 72 -5.850 0.800 -13.594 1.00 0.00 C ATOM 0 H ALA A 72 -4.739 2.786 -14.499 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.608 0.026 -15.185 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.385 -0.137 -13.436 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -5.020 0.867 -12.890 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.530 1.637 -13.435 1.00 0.00 H new ATOM 1130 N GLY A 73 -7.062 1.754 -16.506 1.00 0.00 N ATOM 1131 CA GLY A 73 -8.217 1.741 -17.395 1.00 0.00 C ATOM 1132 C GLY A 73 -9.108 2.935 -17.080 1.00 0.00 C ATOM 1133 O GLY A 73 -8.607 4.025 -16.791 1.00 0.00 O ATOM 0 H GLY A 73 -6.750 2.696 -16.271 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -7.891 1.780 -18.434 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -8.775 0.813 -17.271 1.00 0.00 H new ATOM 1137 N GLY A 74 -10.423 2.723 -17.092 1.00 0.00 N ATOM 1138 CA GLY A 74 -11.408 3.702 -16.659 1.00 0.00 C ATOM 1139 C GLY A 74 -12.490 3.019 -15.832 1.00 0.00 C ATOM 1140 O GLY A 74 -12.537 1.788 -15.781 1.00 0.00 O ATOM 0 H GLY A 74 -10.838 1.847 -17.410 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -10.924 4.481 -16.069 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -11.854 4.190 -17.526 1.00 0.00 H new ATOM 1144 N LEU A 75 -13.348 3.819 -15.187 1.00 0.00 N ATOM 1145 CA LEU A 75 -14.316 3.385 -14.169 1.00 0.00 C ATOM 1146 C LEU A 75 -15.071 2.118 -14.583 1.00 0.00 C ATOM 1147 O LEU A 75 -15.082 1.137 -13.839 1.00 0.00 O ATOM 1148 CB LEU A 75 -15.269 4.566 -13.858 1.00 0.00 C ATOM 1149 CG LEU A 75 -16.329 4.392 -12.742 1.00 0.00 C ATOM 1150 CD1 LEU A 75 -17.499 3.469 -13.104 1.00 0.00 C ATOM 1151 CD2 LEU A 75 -15.724 3.961 -11.402 1.00 0.00 C ATOM 0 H LEU A 75 -13.390 4.822 -15.365 1.00 0.00 H new ATOM 0 HA LEU A 75 -13.780 3.110 -13.261 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -14.654 5.428 -13.598 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -15.796 4.817 -14.779 1.00 0.00 H new ATOM 0 HG LEU A 75 -16.741 5.396 -12.635 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -18.189 3.409 -12.262 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -18.022 3.868 -13.973 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -17.119 2.473 -13.334 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -16.517 3.856 -10.662 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -15.213 3.006 -11.524 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -15.011 4.714 -11.066 1.00 0.00 H new ATOM 1163 N LYS A 76 -15.697 2.131 -15.765 1.00 0.00 N ATOM 1164 CA LYS A 76 -16.532 1.021 -16.224 1.00 0.00 C ATOM 1165 C LYS A 76 -15.680 -0.187 -16.623 1.00 0.00 C ATOM 1166 O LYS A 76 -16.085 -1.325 -16.390 1.00 0.00 O ATOM 1167 CB LYS A 76 -17.413 1.508 -17.390 1.00 0.00 C ATOM 1168 CG LYS A 76 -18.466 0.469 -17.813 1.00 0.00 C ATOM 1169 CD LYS A 76 -19.375 0.958 -18.952 1.00 0.00 C ATOM 1170 CE LYS A 76 -20.277 2.126 -18.523 1.00 0.00 C ATOM 1171 NZ LYS A 76 -21.198 2.550 -19.607 1.00 0.00 N ATOM 0 H LYS A 76 -15.638 2.907 -16.425 1.00 0.00 H new ATOM 0 HA LYS A 76 -17.175 0.690 -15.409 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -17.915 2.431 -17.100 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -16.779 1.745 -18.244 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -17.960 -0.444 -18.127 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -19.081 0.213 -16.950 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -18.759 1.269 -19.796 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -19.996 0.131 -19.298 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -20.858 1.832 -17.649 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -19.657 2.971 -18.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -21.787 3.340 -19.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -20.645 2.856 -20.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -21.809 1.752 -19.876 1.00 0.00 H new ATOM 1185 N ASP A 77 -14.522 0.052 -17.244 1.00 0.00 N ATOM 1186 CA ASP A 77 -13.682 -1.002 -17.812 1.00 0.00 C ATOM 1187 C ASP A 77 -12.979 -1.816 -16.724 1.00 0.00 C ATOM 1188 O ASP A 77 -12.831 -3.032 -16.859 1.00 0.00 O ATOM 1189 CB ASP A 77 -12.634 -0.383 -18.743 1.00 0.00 C ATOM 1190 CG ASP A 77 -11.698 -1.460 -19.317 1.00 0.00 C ATOM 1191 OD1 ASP A 77 -12.131 -2.234 -20.200 1.00 0.00 O ATOM 1192 OD2 ASP A 77 -10.516 -1.513 -18.913 1.00 0.00 O ATOM 0 H ASP A 77 -14.140 0.990 -17.367 1.00 0.00 H new ATOM 0 HA ASP A 77 -14.330 -1.676 -18.372 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -13.132 0.142 -19.558 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -12.050 0.357 -18.197 1.00 0.00 H new ATOM 1197 N ILE A 78 -12.550 -1.155 -15.646 1.00 0.00 N ATOM 1198 CA ILE A 78 -11.838 -1.773 -14.532 1.00 0.00 C ATOM 1199 C ILE A 78 -12.782 -2.761 -13.837 1.00 0.00 C ATOM 1200 O ILE A 78 -13.921 -2.417 -13.515 1.00 0.00 O ATOM 1201 CB ILE A 78 -11.291 -0.652 -13.615 1.00 0.00 C ATOM 1202 CG1 ILE A 78 -10.084 0.005 -14.322 1.00 0.00 C ATOM 1203 CG2 ILE A 78 -10.874 -1.160 -12.223 1.00 0.00 C ATOM 1204 CD1 ILE A 78 -9.664 1.335 -13.701 1.00 0.00 C ATOM 0 H ILE A 78 -12.693 -0.152 -15.524 1.00 0.00 H new ATOM 0 HA ILE A 78 -10.974 -2.352 -14.857 1.00 0.00 H new ATOM 0 HB ILE A 78 -12.092 0.069 -13.448 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -9.239 -0.683 -14.295 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -10.331 0.165 -15.372 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -10.499 -0.327 -11.629 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -11.736 -1.603 -11.724 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -10.091 -1.911 -12.329 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.812 1.739 -14.248 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -10.495 2.039 -13.752 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -9.385 1.178 -12.659 1.00 0.00 H new ATOM 1216 N ALA A 79 -12.299 -3.982 -13.582 1.00 0.00 N ATOM 1217 CA ALA A 79 -13.095 -5.070 -13.013 1.00 0.00 C ATOM 1218 C ALA A 79 -13.257 -4.977 -11.485 1.00 0.00 C ATOM 1219 O ALA A 79 -14.009 -5.767 -10.909 1.00 0.00 O ATOM 1220 CB ALA A 79 -12.446 -6.407 -13.395 1.00 0.00 C ATOM 0 H ALA A 79 -11.331 -4.244 -13.768 1.00 0.00 H new ATOM 0 HA ALA A 79 -14.100 -4.991 -13.427 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -13.030 -7.227 -12.977 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -12.416 -6.500 -14.481 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -11.431 -6.445 -12.999 1.00 0.00 H new ATOM 1226 N MET A 80 -12.547 -4.059 -10.818 1.00 0.00 N ATOM 1227 CA MET A 80 -12.619 -3.883 -9.364 1.00 0.00 C ATOM 1228 C MET A 80 -14.048 -3.509 -8.932 1.00 0.00 C ATOM 1229 O MET A 80 -14.760 -2.869 -9.715 1.00 0.00 O ATOM 1230 CB MET A 80 -11.645 -2.786 -8.894 1.00 0.00 C ATOM 1231 CG MET A 80 -10.168 -3.109 -9.160 1.00 0.00 C ATOM 1232 SD MET A 80 -9.506 -4.558 -8.285 1.00 0.00 S ATOM 1233 CE MET A 80 -9.444 -3.918 -6.587 1.00 0.00 C ATOM 0 H MET A 80 -11.903 -3.414 -11.276 1.00 0.00 H new ATOM 0 HA MET A 80 -12.339 -4.830 -8.904 1.00 0.00 H new ATOM 0 HB2 MET A 80 -11.898 -1.851 -9.394 1.00 0.00 H new ATOM 0 HB3 MET A 80 -11.784 -2.624 -7.825 1.00 0.00 H new ATOM 0 HG2 MET A 80 -10.036 -3.263 -10.231 1.00 0.00 H new ATOM 0 HG3 MET A 80 -9.570 -2.239 -8.887 1.00 0.00 H new ATOM 0 HE1 MET A 80 -8.992 -4.664 -5.933 1.00 0.00 H new ATOM 0 HE2 MET A 80 -8.848 -3.006 -6.564 1.00 0.00 H new ATOM 0 HE3 MET A 80 -10.455 -3.700 -6.243 1.00 0.00 H new ATOM 1243 N PRO A 81 -14.476 -3.859 -7.703 1.00 0.00 N ATOM 1244 CA PRO A 81 -15.712 -3.350 -7.113 1.00 0.00 C ATOM 1245 C PRO A 81 -15.706 -1.820 -7.005 1.00 0.00 C ATOM 1246 O PRO A 81 -14.641 -1.193 -7.043 1.00 0.00 O ATOM 1247 CB PRO A 81 -15.812 -3.988 -5.720 1.00 0.00 C ATOM 1248 CG PRO A 81 -14.902 -5.210 -5.801 1.00 0.00 C ATOM 1249 CD PRO A 81 -13.816 -4.770 -6.779 1.00 0.00 C ATOM 0 HA PRO A 81 -16.567 -3.605 -7.739 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -15.484 -3.299 -4.942 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -16.838 -4.271 -5.484 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -14.486 -5.468 -4.827 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -15.438 -6.088 -6.162 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -12.995 -4.276 -6.259 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -13.391 -5.625 -7.306 1.00 0.00 H new ATOM 1257 N LYS A 82 -16.886 -1.226 -6.799 1.00 0.00 N ATOM 1258 CA LYS A 82 -17.057 0.207 -6.574 1.00 0.00 C ATOM 1259 C LYS A 82 -18.044 0.437 -5.433 1.00 0.00 C ATOM 1260 O LYS A 82 -18.810 -0.462 -5.071 1.00 0.00 O ATOM 1261 CB LYS A 82 -17.572 0.931 -7.838 1.00 0.00 C ATOM 1262 CG LYS A 82 -16.621 0.903 -9.043 1.00 0.00 C ATOM 1263 CD LYS A 82 -16.917 -0.259 -9.997 1.00 0.00 C ATOM 1264 CE LYS A 82 -15.911 -0.267 -11.151 1.00 0.00 C ATOM 1265 NZ LYS A 82 -15.975 -1.536 -11.907 1.00 0.00 N ATOM 0 H LYS A 82 -17.766 -1.742 -6.784 1.00 0.00 H new ATOM 0 HA LYS A 82 -16.079 0.617 -6.320 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -18.520 0.481 -8.134 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -17.778 1.970 -7.583 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -16.701 1.844 -9.587 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -15.593 0.825 -8.689 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -16.868 -1.204 -9.456 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -17.930 -0.168 -10.389 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -16.115 0.569 -11.820 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -14.904 -0.124 -10.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -15.226 -1.548 -12.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -15.841 -2.335 -11.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -16.903 -1.618 -12.369 1.00 0.00 H new ATOM 1279 N VAL A 83 -18.080 1.672 -4.942 1.00 0.00 N ATOM 1280 CA VAL A 83 -19.091 2.200 -4.034 1.00 0.00 C ATOM 1281 C VAL A 83 -19.693 3.430 -4.719 1.00 0.00 C ATOM 1282 O VAL A 83 -19.048 4.032 -5.583 1.00 0.00 O ATOM 1283 CB VAL A 83 -18.495 2.490 -2.639 1.00 0.00 C ATOM 1284 CG1 VAL A 83 -18.112 1.182 -1.932 1.00 0.00 C ATOM 1285 CG2 VAL A 83 -17.284 3.437 -2.681 1.00 0.00 C ATOM 0 H VAL A 83 -17.370 2.365 -5.179 1.00 0.00 H new ATOM 0 HA VAL A 83 -19.882 1.475 -3.842 1.00 0.00 H new ATOM 0 HB VAL A 83 -19.276 2.999 -2.075 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -17.694 1.408 -0.951 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -18.999 0.559 -1.814 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -17.371 0.650 -2.528 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -16.914 3.599 -1.669 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -16.496 2.993 -3.289 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -17.583 4.391 -3.115 1.00 0.00 H new ATOM 1295 N LYS A 84 -20.926 3.797 -4.360 1.00 0.00 N ATOM 1296 CA LYS A 84 -21.733 4.779 -5.085 1.00 0.00 C ATOM 1297 C LYS A 84 -22.456 5.689 -4.096 1.00 0.00 C ATOM 1298 O LYS A 84 -22.738 5.272 -2.968 1.00 0.00 O ATOM 1299 CB LYS A 84 -22.716 3.996 -5.977 1.00 0.00 C ATOM 1300 CG LYS A 84 -23.449 4.859 -7.013 1.00 0.00 C ATOM 1301 CD LYS A 84 -24.268 3.970 -7.962 1.00 0.00 C ATOM 1302 CE LYS A 84 -24.946 4.753 -9.096 1.00 0.00 C ATOM 1303 NZ LYS A 84 -23.969 5.378 -10.022 1.00 0.00 N ATOM 0 H LYS A 84 -21.399 3.412 -3.542 1.00 0.00 H new ATOM 0 HA LYS A 84 -21.114 5.423 -5.709 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -22.170 3.209 -6.497 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -23.454 3.505 -5.342 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -24.107 5.566 -6.508 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -22.729 5.445 -7.584 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -23.614 3.213 -8.394 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -25.030 3.443 -7.388 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -25.596 4.082 -9.658 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -25.582 5.528 -8.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -24.356 5.378 -10.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -23.784 6.357 -9.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -23.081 4.838 -10.006 1.00 0.00 H new ATOM 1317 N GLY A 85 -22.774 6.913 -4.513 1.00 0.00 N ATOM 1318 CA GLY A 85 -23.511 7.876 -3.709 1.00 0.00 C ATOM 1319 C GLY A 85 -23.961 9.028 -4.591 1.00 0.00 C ATOM 1320 O GLY A 85 -24.701 8.775 -5.563 1.00 0.00 O ATOM 1321 OXT GLY A 85 -23.575 10.179 -4.309 1.00 0.00 O ATOM 0 H GLY A 85 -22.521 7.266 -5.436 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -24.375 7.397 -3.248 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -22.883 8.247 -2.899 1.00 0.00 H new TER 1325 GLY A 85