USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 743 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 87 HIS : no HD1:sc= -0.467 K(o=-0.5,f=-1.3) USER MOD Set 1.2: A 89 HIS : no HD1:sc= -0.0337 X(o=-0.5,f=-0.64) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -161:sc= -0.0395 (180deg=-0.439) USER MOD Single : A 5 THR OG1 : rot -51:sc= -0.0746! USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot -36:sc= 0.995 USER MOD Single : A 18 LYS NZ :NH3+ -146:sc= -0.872 (180deg=-1.53) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -162:sc= -0.0315 (180deg=-0.348) USER MOD Single : A 30 LYS NZ :NH3+ -108:sc= -0.0131 (180deg=-0.721) USER MOD Single : A 32 GLN : amide:sc= -0.0181 K(o=-0.018,f=-1.7!) USER MOD Single : A 35 HIS : no HD1:sc= -3.44! C(o=-3.4!,f=-8.9!) USER MOD Single : A 36 ASN : amide:sc= -2.26! C(o=-2.3!,f=-4.1!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -2.12! C(o=-2.1!,f=-4.4!) USER MOD Single : A 44 GLN : amide:sc= -1.73 K(o=-1.7,f=-1) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HD1:sc= -1.09 K(o=-1.1,f=-2.5!) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 23:sc= 0.474 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -160:sc= -0.658 USER MOD Single : A 68 ASN : amide:sc= -2.29! C(o=-2.3!,f=-4.7!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.766 K(o=-0.77,f=-1.4) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 86 HIS : no HD1:sc= 0.266 K(o=0.27,f=-1.6!) USER MOD Single : A 88 HIS : no HD1:sc= -0.377 X(o=-0.38,f=-0.18) USER MOD Single : A 90 HIS : no HD1:sc= -0.154 X(o=-0.15,f=-0.00099) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.872 -11.899 17.208 1.00 0.00 N ATOM 2 CA MET A 1 -8.969 -12.749 18.033 1.00 0.00 C ATOM 3 C MET A 1 -7.756 -13.147 17.199 1.00 0.00 C ATOM 4 O MET A 1 -6.642 -12.692 17.452 1.00 0.00 O ATOM 5 CB MET A 1 -9.725 -14.001 18.485 1.00 0.00 C ATOM 6 CG MET A 1 -10.841 -13.601 19.453 1.00 0.00 C ATOM 7 SD MET A 1 -11.741 -15.079 19.982 1.00 0.00 S ATOM 8 CE MET A 1 -13.117 -14.229 20.792 1.00 0.00 C ATOM 0 H1 MET A 1 -10.513 -11.368 17.831 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.304 -11.233 16.646 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.430 -12.502 16.570 1.00 0.00 H new ATOM 0 HA MET A 1 -8.637 -12.195 18.911 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.145 -14.517 17.622 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.040 -14.697 18.970 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.420 -13.090 20.319 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.522 -12.901 18.970 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.810 -14.965 21.200 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.734 -13.605 21.599 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.637 -13.604 20.066 1.00 0.00 H new ATOM 20 N GLY A 2 -7.983 -13.999 16.205 1.00 0.00 N ATOM 21 CA GLY A 2 -6.900 -14.452 15.342 1.00 0.00 C ATOM 22 C GLY A 2 -6.043 -15.494 16.052 1.00 0.00 C ATOM 23 O GLY A 2 -6.374 -15.930 17.156 1.00 0.00 O ATOM 0 H GLY A 2 -8.899 -14.387 15.979 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -7.312 -14.876 14.426 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -6.282 -13.603 15.051 1.00 0.00 H new ATOM 27 N VAL A 3 -4.938 -15.889 15.418 1.00 0.00 N ATOM 28 CA VAL A 3 -4.035 -16.883 16.006 1.00 0.00 C ATOM 29 C VAL A 3 -2.735 -16.221 16.441 1.00 0.00 C ATOM 30 O VAL A 3 -1.761 -16.180 15.689 1.00 0.00 O ATOM 31 CB VAL A 3 -3.731 -17.978 14.981 1.00 0.00 C ATOM 32 CG1 VAL A 3 -2.702 -18.960 15.557 1.00 0.00 C ATOM 33 CG2 VAL A 3 -5.024 -18.726 14.644 1.00 0.00 C ATOM 0 H VAL A 3 -4.647 -15.540 14.505 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.520 -17.324 16.877 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.323 -17.526 14.077 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.490 -19.737 14.823 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.783 -18.425 15.795 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.102 -19.416 16.463 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -4.813 -19.507 13.914 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.431 -19.176 15.550 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.750 -18.028 14.228 1.00 0.00 H new ATOM 43 N TRP A 4 -2.726 -15.703 17.669 1.00 0.00 N ATOM 44 CA TRP A 4 -1.542 -15.046 18.220 1.00 0.00 C ATOM 45 C TRP A 4 -1.165 -15.668 19.561 1.00 0.00 C ATOM 46 O TRP A 4 -2.007 -15.830 20.444 1.00 0.00 O ATOM 47 CB TRP A 4 -1.813 -13.535 18.386 1.00 0.00 C ATOM 48 CG TRP A 4 -1.347 -12.796 17.168 1.00 0.00 C ATOM 49 CD1 TRP A 4 -0.194 -12.093 17.082 1.00 0.00 C ATOM 50 CD2 TRP A 4 -1.991 -12.686 15.865 1.00 0.00 C ATOM 51 NE1 TRP A 4 -0.089 -11.559 15.811 1.00 0.00 N ATOM 52 CE2 TRP A 4 -1.173 -11.895 15.024 1.00 0.00 C ATOM 53 CE3 TRP A 4 -3.194 -13.190 15.338 1.00 0.00 C ATOM 54 CZ2 TRP A 4 -1.534 -11.614 13.707 1.00 0.00 C ATOM 55 CZ3 TRP A 4 -3.560 -12.908 14.011 1.00 0.00 C ATOM 56 CH2 TRP A 4 -2.731 -12.123 13.198 1.00 0.00 C ATOM 0 H TRP A 4 -3.526 -15.726 18.301 1.00 0.00 H new ATOM 0 HA TRP A 4 -0.708 -15.183 17.532 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -2.878 -13.363 18.541 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -1.297 -13.159 19.270 1.00 0.00 H new ATOM 0 HD1 TRP A 4 0.527 -11.969 17.877 1.00 0.00 H new ATOM 0 HE1 TRP A 4 0.693 -10.987 15.493 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -3.839 -13.796 15.956 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -0.893 -11.007 13.085 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -4.486 -13.299 13.615 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -3.018 -11.912 12.178 1.00 0.00 H new ATOM 67 N THR A 5 0.112 -15.991 19.702 1.00 0.00 N ATOM 68 CA THR A 5 0.618 -16.576 20.932 1.00 0.00 C ATOM 69 C THR A 5 2.146 -16.591 20.914 1.00 0.00 C ATOM 70 O THR A 5 2.768 -17.597 21.248 1.00 0.00 O ATOM 71 CB THR A 5 0.084 -18.006 21.099 1.00 0.00 C ATOM 72 OG1 THR A 5 -1.273 -18.058 20.684 1.00 0.00 O ATOM 73 CG2 THR A 5 0.185 -18.426 22.569 1.00 0.00 C ATOM 0 H THR A 5 0.817 -15.857 18.977 1.00 0.00 H new ATOM 0 HA THR A 5 0.277 -15.972 21.773 1.00 0.00 H new ATOM 0 HB THR A 5 0.678 -18.686 20.487 1.00 0.00 H new ATOM 0 HG1 THR A 5 -1.780 -17.349 21.133 1.00 0.00 H new ATOM 0 HG21 THR A 5 -0.195 -19.441 22.684 1.00 0.00 H new ATOM 0 HG22 THR A 5 1.227 -18.390 22.887 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.405 -17.746 23.183 1.00 0.00 H new ATOM 81 N PRO A 6 2.753 -15.495 20.530 1.00 0.00 N ATOM 82 CA PRO A 6 4.241 -15.373 20.467 1.00 0.00 C ATOM 83 C PRO A 6 4.878 -15.464 21.856 1.00 0.00 C ATOM 84 O PRO A 6 4.180 -15.605 22.861 1.00 0.00 O ATOM 85 CB PRO A 6 4.465 -13.984 19.844 1.00 0.00 C ATOM 86 CG PRO A 6 3.222 -13.221 20.162 1.00 0.00 C ATOM 87 CD PRO A 6 2.091 -14.242 20.115 1.00 0.00 C ATOM 0 HA PRO A 6 4.699 -16.177 19.892 1.00 0.00 H new ATOM 0 HB2 PRO A 6 5.346 -13.499 20.264 1.00 0.00 H new ATOM 0 HB3 PRO A 6 4.623 -14.053 18.768 1.00 0.00 H new ATOM 0 HG2 PRO A 6 3.289 -12.755 21.145 1.00 0.00 H new ATOM 0 HG3 PRO A 6 3.058 -12.421 19.440 1.00 0.00 H new ATOM 0 HD2 PRO A 6 1.277 -13.974 20.789 1.00 0.00 H new ATOM 0 HD3 PRO A 6 1.663 -14.324 19.116 1.00 0.00 H new ATOM 95 N GLU A 7 6.202 -15.377 21.902 1.00 0.00 N ATOM 96 CA GLU A 7 6.925 -15.445 23.166 1.00 0.00 C ATOM 97 C GLU A 7 6.308 -14.496 24.187 1.00 0.00 C ATOM 98 O GLU A 7 6.556 -14.612 25.387 1.00 0.00 O ATOM 99 CB GLU A 7 8.397 -15.084 22.951 1.00 0.00 C ATOM 100 CG GLU A 7 8.501 -13.681 22.349 1.00 0.00 C ATOM 101 CD GLU A 7 9.965 -13.320 22.124 1.00 0.00 C ATOM 102 OE1 GLU A 7 10.814 -14.074 22.568 1.00 0.00 O ATOM 103 OE2 GLU A 7 10.214 -12.296 21.510 1.00 0.00 O ATOM 0 H GLU A 7 6.796 -15.260 21.081 1.00 0.00 H new ATOM 0 HA GLU A 7 6.856 -16.464 23.546 1.00 0.00 H new ATOM 0 HB2 GLU A 7 8.934 -15.124 23.899 1.00 0.00 H new ATOM 0 HB3 GLU A 7 8.867 -15.811 22.288 1.00 0.00 H new ATOM 0 HG2 GLU A 7 7.958 -13.640 21.405 1.00 0.00 H new ATOM 0 HG3 GLU A 7 8.037 -12.954 23.016 1.00 0.00 H new ATOM 110 N VAL A 8 5.508 -13.553 23.701 1.00 0.00 N ATOM 111 CA VAL A 8 4.866 -12.586 24.581 1.00 0.00 C ATOM 112 C VAL A 8 4.181 -13.307 25.732 1.00 0.00 C ATOM 113 O VAL A 8 4.284 -12.890 26.885 1.00 0.00 O ATOM 114 CB VAL A 8 3.824 -11.780 23.805 1.00 0.00 C ATOM 115 CG1 VAL A 8 3.150 -10.770 24.738 1.00 0.00 C ATOM 116 CG2 VAL A 8 4.503 -11.041 22.651 1.00 0.00 C ATOM 0 H VAL A 8 5.290 -13.439 22.711 1.00 0.00 H new ATOM 0 HA VAL A 8 5.628 -11.912 24.973 1.00 0.00 H new ATOM 0 HB VAL A 8 3.069 -12.458 23.406 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.408 -10.198 24.180 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.660 -11.300 25.555 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.901 -10.092 25.144 1.00 0.00 H new ATOM 0 HG21 VAL A 8 3.759 -10.467 22.099 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.261 -10.366 23.047 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.973 -11.763 21.983 1.00 0.00 H new ATOM 126 N LEU A 9 3.483 -14.393 25.416 1.00 0.00 N ATOM 127 CA LEU A 9 2.794 -15.155 26.447 1.00 0.00 C ATOM 128 C LEU A 9 3.802 -15.698 27.450 1.00 0.00 C ATOM 129 O LEU A 9 3.586 -15.632 28.659 1.00 0.00 O ATOM 130 CB LEU A 9 2.018 -16.318 25.815 1.00 0.00 C ATOM 131 CG LEU A 9 1.298 -17.138 26.901 1.00 0.00 C ATOM 132 CD1 LEU A 9 0.328 -16.243 27.692 1.00 0.00 C ATOM 133 CD2 LEU A 9 0.525 -18.282 26.233 1.00 0.00 C ATOM 0 H LEU A 9 3.381 -14.760 24.470 1.00 0.00 H new ATOM 0 HA LEU A 9 2.093 -14.497 26.960 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.291 -15.932 25.100 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.702 -16.960 25.259 1.00 0.00 H new ATOM 0 HG LEU A 9 2.035 -17.545 27.594 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.174 -16.837 28.456 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.884 -15.435 28.167 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.414 -15.823 27.014 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.012 -18.868 26.995 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.207 -17.870 25.538 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.220 -18.922 25.690 1.00 0.00 H new ATOM 145 N LYS A 10 4.906 -16.230 26.939 1.00 0.00 N ATOM 146 CA LYS A 10 5.944 -16.777 27.799 1.00 0.00 C ATOM 147 C LYS A 10 6.539 -15.678 28.668 1.00 0.00 C ATOM 148 O LYS A 10 6.749 -15.863 29.867 1.00 0.00 O ATOM 149 CB LYS A 10 7.042 -17.414 26.946 1.00 0.00 C ATOM 150 CG LYS A 10 8.069 -18.098 27.855 1.00 0.00 C ATOM 151 CD LYS A 10 9.183 -18.731 27.009 1.00 0.00 C ATOM 152 CE LYS A 10 8.700 -20.040 26.373 1.00 0.00 C ATOM 153 NZ LYS A 10 9.872 -20.770 25.808 1.00 0.00 N ATOM 0 H LYS A 10 5.103 -16.293 25.940 1.00 0.00 H new ATOM 0 HA LYS A 10 5.503 -17.537 28.444 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.607 -18.141 26.260 1.00 0.00 H new ATOM 0 HB3 LYS A 10 7.530 -16.653 26.337 1.00 0.00 H new ATOM 0 HG2 LYS A 10 8.495 -17.371 28.547 1.00 0.00 H new ATOM 0 HG3 LYS A 10 7.580 -18.863 28.458 1.00 0.00 H new ATOM 0 HD2 LYS A 10 9.495 -18.035 26.230 1.00 0.00 H new ATOM 0 HD3 LYS A 10 10.056 -18.924 27.633 1.00 0.00 H new ATOM 0 HE2 LYS A 10 8.196 -20.656 27.118 1.00 0.00 H new ATOM 0 HE3 LYS A 10 7.973 -19.831 25.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 9.551 -21.659 25.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 10.333 -20.180 25.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 10.550 -20.980 26.568 1.00 0.00 H new ATOM 167 N ALA A 11 6.804 -14.532 28.054 1.00 0.00 N ATOM 168 CA ALA A 11 7.370 -13.407 28.781 1.00 0.00 C ATOM 169 C ALA A 11 6.404 -12.948 29.864 1.00 0.00 C ATOM 170 O ALA A 11 6.816 -12.578 30.961 1.00 0.00 O ATOM 171 CB ALA A 11 7.656 -12.253 27.819 1.00 0.00 C ATOM 0 H ALA A 11 6.637 -14.359 27.063 1.00 0.00 H new ATOM 0 HA ALA A 11 8.304 -13.722 29.247 1.00 0.00 H new ATOM 0 HB1 ALA A 11 8.080 -11.415 28.372 1.00 0.00 H new ATOM 0 HB2 ALA A 11 8.364 -12.581 27.058 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.728 -11.940 27.340 1.00 0.00 H new ATOM 177 N ARG A 12 5.114 -12.983 29.549 1.00 0.00 N ATOM 178 CA ARG A 12 4.094 -12.579 30.508 1.00 0.00 C ATOM 179 C ARG A 12 4.101 -13.509 31.715 1.00 0.00 C ATOM 180 O ARG A 12 4.072 -13.059 32.861 1.00 0.00 O ATOM 181 CB ARG A 12 2.716 -12.616 29.837 1.00 0.00 C ATOM 182 CG ARG A 12 2.576 -11.450 28.838 1.00 0.00 C ATOM 183 CD ARG A 12 2.039 -10.205 29.552 1.00 0.00 C ATOM 184 NE ARG A 12 0.646 -10.411 29.928 1.00 0.00 N ATOM 185 CZ ARG A 12 -0.049 -9.461 30.540 1.00 0.00 C ATOM 186 NH1 ARG A 12 0.516 -8.319 30.817 1.00 0.00 N ATOM 187 NH2 ARG A 12 -1.295 -9.670 30.862 1.00 0.00 N ATOM 0 H ARG A 12 4.752 -13.285 28.644 1.00 0.00 H new ATOM 0 HA ARG A 12 4.310 -11.565 30.846 1.00 0.00 H new ATOM 0 HB2 ARG A 12 2.581 -13.566 29.319 1.00 0.00 H new ATOM 0 HB3 ARG A 12 1.934 -12.552 30.593 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.543 -11.230 28.386 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.903 -11.733 28.029 1.00 0.00 H new ATOM 0 HD2 ARG A 12 2.637 -9.997 30.439 1.00 0.00 H new ATOM 0 HD3 ARG A 12 2.124 -9.336 28.900 1.00 0.00 H new ATOM 0 HE ARG A 12 0.197 -11.302 29.717 1.00 0.00 H new ATOM 0 HH11 ARG A 12 1.491 -8.157 30.563 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -0.017 -7.587 31.287 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -1.735 -10.564 30.643 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -1.830 -8.940 31.333 1.00 0.00 H new ATOM 201 N ALA A 13 4.152 -14.811 31.451 1.00 0.00 N ATOM 202 CA ALA A 13 4.175 -15.795 32.523 1.00 0.00 C ATOM 203 C ALA A 13 5.513 -15.746 33.252 1.00 0.00 C ATOM 204 O ALA A 13 5.573 -15.868 34.476 1.00 0.00 O ATOM 205 CB ALA A 13 3.946 -17.196 31.955 1.00 0.00 C ATOM 0 H ALA A 13 4.178 -15.205 30.511 1.00 0.00 H new ATOM 0 HA ALA A 13 3.377 -15.562 33.228 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.965 -17.925 32.765 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.977 -17.233 31.457 1.00 0.00 H new ATOM 0 HB3 ALA A 13 4.732 -17.431 31.237 1.00 0.00 H new ATOM 211 N SER A 14 6.584 -15.563 32.484 1.00 0.00 N ATOM 212 CA SER A 14 7.932 -15.493 33.045 1.00 0.00 C ATOM 213 C SER A 14 8.305 -14.047 33.347 1.00 0.00 C ATOM 214 O SER A 14 9.457 -13.746 33.659 1.00 0.00 O ATOM 215 CB SER A 14 8.939 -16.088 32.059 1.00 0.00 C ATOM 216 OG SER A 14 10.229 -16.096 32.657 1.00 0.00 O ATOM 0 H SER A 14 6.545 -15.460 31.470 1.00 0.00 H new ATOM 0 HA SER A 14 7.953 -16.065 33.972 1.00 0.00 H new ATOM 0 HB2 SER A 14 8.645 -17.102 31.787 1.00 0.00 H new ATOM 0 HB3 SER A 14 8.955 -15.503 31.139 1.00 0.00 H new ATOM 0 HG SER A 14 10.338 -15.295 33.211 1.00 0.00 H new ATOM 222 N VAL A 15 7.322 -13.157 33.242 1.00 0.00 N ATOM 223 CA VAL A 15 7.545 -11.737 33.496 1.00 0.00 C ATOM 224 C VAL A 15 8.573 -11.168 32.523 1.00 0.00 C ATOM 225 O VAL A 15 8.232 -10.392 31.629 1.00 0.00 O ATOM 226 CB VAL A 15 8.032 -11.536 34.933 1.00 0.00 C ATOM 227 CG1 VAL A 15 7.970 -10.050 35.289 1.00 0.00 C ATOM 228 CG2 VAL A 15 7.138 -12.330 35.887 1.00 0.00 C ATOM 0 H VAL A 15 6.364 -13.394 32.983 1.00 0.00 H new ATOM 0 HA VAL A 15 6.601 -11.210 33.353 1.00 0.00 H new ATOM 0 HB VAL A 15 9.060 -11.886 35.023 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.317 -9.906 36.312 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.607 -9.486 34.608 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.942 -9.697 35.201 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.483 -12.189 36.911 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.110 -11.979 35.799 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.184 -13.389 35.632 1.00 0.00 H new ATOM 238 N ILE A 16 9.832 -11.559 32.703 1.00 0.00 N ATOM 239 CA ILE A 16 10.918 -11.089 31.841 1.00 0.00 C ATOM 240 C ILE A 16 11.291 -12.154 30.814 1.00 0.00 C ATOM 241 O ILE A 16 11.334 -13.345 31.123 1.00 0.00 O ATOM 242 CB ILE A 16 12.137 -10.733 32.697 1.00 0.00 C ATOM 243 CG1 ILE A 16 12.559 -11.947 33.531 1.00 0.00 C ATOM 244 CG2 ILE A 16 11.782 -9.575 33.630 1.00 0.00 C ATOM 245 CD1 ILE A 16 13.828 -11.608 34.316 1.00 0.00 C ATOM 0 H ILE A 16 10.128 -12.201 33.438 1.00 0.00 H new ATOM 0 HA ILE A 16 10.581 -10.201 31.305 1.00 0.00 H new ATOM 0 HB ILE A 16 12.960 -10.440 32.045 1.00 0.00 H new ATOM 0 HG12 ILE A 16 11.759 -12.228 34.216 1.00 0.00 H new ATOM 0 HG13 ILE A 16 12.738 -12.804 32.881 1.00 0.00 H new ATOM 0 HG21 ILE A 16 12.649 -9.320 34.240 1.00 0.00 H new ATOM 0 HG22 ILE A 16 11.487 -8.708 33.038 1.00 0.00 H new ATOM 0 HG23 ILE A 16 10.956 -9.870 34.278 1.00 0.00 H new ATOM 0 HD11 ILE A 16 14.130 -12.471 34.910 1.00 0.00 H new ATOM 0 HD12 ILE A 16 14.627 -11.348 33.622 1.00 0.00 H new ATOM 0 HD13 ILE A 16 13.633 -10.763 34.976 1.00 0.00 H new ATOM 257 N GLY A 17 11.552 -11.715 29.589 1.00 0.00 N ATOM 258 CA GLY A 17 11.916 -12.638 28.522 1.00 0.00 C ATOM 259 C GLY A 17 13.374 -13.062 28.644 1.00 0.00 C ATOM 260 O GLY A 17 14.235 -12.260 29.005 1.00 0.00 O ATOM 0 H GLY A 17 11.519 -10.734 29.311 1.00 0.00 H new ATOM 0 HA2 GLY A 17 11.273 -13.517 28.561 1.00 0.00 H new ATOM 0 HA3 GLY A 17 11.750 -12.165 27.554 1.00 0.00 H new ATOM 264 N LYS A 18 13.644 -14.326 28.341 1.00 0.00 N ATOM 265 CA LYS A 18 15.004 -14.843 28.420 1.00 0.00 C ATOM 266 C LYS A 18 15.076 -16.251 27.833 1.00 0.00 C ATOM 267 O LYS A 18 15.579 -17.175 28.470 1.00 0.00 O ATOM 268 CB LYS A 18 15.472 -14.869 29.879 1.00 0.00 C ATOM 269 CG LYS A 18 17.000 -14.997 29.931 1.00 0.00 C ATOM 270 CD LYS A 18 17.435 -15.458 31.326 1.00 0.00 C ATOM 271 CE LYS A 18 16.838 -14.527 32.383 1.00 0.00 C ATOM 272 NZ LYS A 18 17.031 -13.111 31.963 1.00 0.00 N ATOM 0 H LYS A 18 12.946 -15.006 28.041 1.00 0.00 H new ATOM 0 HA LYS A 18 15.656 -14.187 27.843 1.00 0.00 H new ATOM 0 HB2 LYS A 18 15.156 -13.958 30.388 1.00 0.00 H new ATOM 0 HB3 LYS A 18 15.010 -15.705 30.404 1.00 0.00 H new ATOM 0 HG2 LYS A 18 17.340 -15.710 29.180 1.00 0.00 H new ATOM 0 HG3 LYS A 18 17.463 -14.039 29.694 1.00 0.00 H new ATOM 0 HD2 LYS A 18 17.105 -16.482 31.501 1.00 0.00 H new ATOM 0 HD3 LYS A 18 18.523 -15.456 31.398 1.00 0.00 H new ATOM 0 HE2 LYS A 18 15.776 -14.738 32.511 1.00 0.00 H new ATOM 0 HE3 LYS A 18 17.316 -14.700 33.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 17.184 -12.517 32.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 17.858 -13.044 31.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 16.185 -12.781 31.456 1.00 0.00 H new ATOM 286 N PRO A 19 14.581 -16.423 26.636 1.00 0.00 N ATOM 287 CA PRO A 19 14.585 -17.746 25.943 1.00 0.00 C ATOM 288 C PRO A 19 16.004 -18.229 25.640 1.00 0.00 C ATOM 289 O PRO A 19 16.890 -17.432 25.333 1.00 0.00 O ATOM 290 CB PRO A 19 13.786 -17.487 24.654 1.00 0.00 C ATOM 291 CG PRO A 19 13.900 -16.017 24.422 1.00 0.00 C ATOM 292 CD PRO A 19 13.966 -15.376 25.807 1.00 0.00 C ATOM 0 HA PRO A 19 14.151 -18.536 26.555 1.00 0.00 H new ATOM 0 HB2 PRO A 19 14.194 -18.052 23.816 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.745 -17.790 24.767 1.00 0.00 H new ATOM 0 HG2 PRO A 19 14.791 -15.782 23.840 1.00 0.00 H new ATOM 0 HG3 PRO A 19 13.044 -15.643 23.859 1.00 0.00 H new ATOM 0 HD2 PRO A 19 14.564 -14.465 25.800 1.00 0.00 H new ATOM 0 HD3 PRO A 19 12.976 -15.104 26.172 1.00 0.00 H new ATOM 300 N ILE A 20 16.207 -19.542 25.728 1.00 0.00 N ATOM 301 CA ILE A 20 17.516 -20.132 25.460 1.00 0.00 C ATOM 302 C ILE A 20 17.676 -20.434 23.977 1.00 0.00 C ATOM 303 O ILE A 20 16.706 -20.757 23.295 1.00 0.00 O ATOM 304 CB ILE A 20 17.694 -21.416 26.275 1.00 0.00 C ATOM 305 CG1 ILE A 20 16.491 -22.332 26.038 1.00 0.00 C ATOM 306 CG2 ILE A 20 17.795 -21.071 27.767 1.00 0.00 C ATOM 307 CD1 ILE A 20 16.829 -23.760 26.482 1.00 0.00 C ATOM 0 H ILE A 20 15.484 -20.215 25.982 1.00 0.00 H new ATOM 0 HA ILE A 20 18.282 -19.414 25.754 1.00 0.00 H new ATOM 0 HB ILE A 20 18.607 -21.923 25.964 1.00 0.00 H new ATOM 0 HG12 ILE A 20 15.628 -21.964 26.592 1.00 0.00 H new ATOM 0 HG13 ILE A 20 16.219 -22.324 24.982 1.00 0.00 H new ATOM 0 HG21 ILE A 20 17.922 -21.987 28.344 1.00 0.00 H new ATOM 0 HG22 ILE A 20 18.651 -20.417 27.932 1.00 0.00 H new ATOM 0 HG23 ILE A 20 16.884 -20.564 28.086 1.00 0.00 H new ATOM 0 HD11 ILE A 20 15.969 -24.407 26.311 1.00 0.00 H new ATOM 0 HD12 ILE A 20 17.680 -24.128 25.908 1.00 0.00 H new ATOM 0 HD13 ILE A 20 17.079 -23.762 27.543 1.00 0.00 H new ATOM 319 N GLY A 21 18.903 -20.327 23.482 1.00 0.00 N ATOM 320 CA GLY A 21 19.166 -20.595 22.073 1.00 0.00 C ATOM 321 C GLY A 21 19.296 -22.095 21.828 1.00 0.00 C ATOM 322 O GLY A 21 20.271 -22.718 22.246 1.00 0.00 O ATOM 0 H GLY A 21 19.723 -20.060 24.027 1.00 0.00 H new ATOM 0 HA2 GLY A 21 18.359 -20.190 21.463 1.00 0.00 H new ATOM 0 HA3 GLY A 21 20.082 -20.090 21.766 1.00 0.00 H new ATOM 326 N GLU A 22 18.306 -22.664 21.145 1.00 0.00 N ATOM 327 CA GLU A 22 18.313 -24.093 20.846 1.00 0.00 C ATOM 328 C GLU A 22 17.143 -24.444 19.929 1.00 0.00 C ATOM 329 O GLU A 22 16.242 -23.632 19.721 1.00 0.00 O ATOM 330 CB GLU A 22 18.218 -24.898 22.154 1.00 0.00 C ATOM 331 CG GLU A 22 18.417 -26.393 21.871 1.00 0.00 C ATOM 332 CD GLU A 22 18.619 -27.152 23.178 1.00 0.00 C ATOM 333 OE1 GLU A 22 18.342 -26.581 24.221 1.00 0.00 O ATOM 334 OE2 GLU A 22 19.044 -28.294 23.118 1.00 0.00 O ATOM 0 H GLU A 22 17.493 -22.161 20.790 1.00 0.00 H new ATOM 0 HA GLU A 22 19.244 -24.345 20.338 1.00 0.00 H new ATOM 0 HB2 GLU A 22 18.973 -24.550 22.859 1.00 0.00 H new ATOM 0 HB3 GLU A 22 17.246 -24.735 22.620 1.00 0.00 H new ATOM 0 HG2 GLU A 22 17.550 -26.789 21.342 1.00 0.00 H new ATOM 0 HG3 GLU A 22 19.280 -26.536 21.221 1.00 0.00 H new ATOM 341 N SER A 23 17.160 -25.658 19.392 1.00 0.00 N ATOM 342 CA SER A 23 16.093 -26.109 18.508 1.00 0.00 C ATOM 343 C SER A 23 14.740 -25.966 19.198 1.00 0.00 C ATOM 344 O SER A 23 13.699 -25.922 18.543 1.00 0.00 O ATOM 345 CB SER A 23 16.321 -27.573 18.129 1.00 0.00 C ATOM 346 OG SER A 23 15.322 -27.983 17.205 1.00 0.00 O ATOM 0 H SER A 23 17.897 -26.345 19.552 1.00 0.00 H new ATOM 0 HA SER A 23 16.099 -25.494 17.608 1.00 0.00 H new ATOM 0 HB2 SER A 23 17.311 -27.696 17.690 1.00 0.00 H new ATOM 0 HB3 SER A 23 16.287 -28.200 19.020 1.00 0.00 H new ATOM 0 HG SER A 23 15.468 -28.921 16.960 1.00 0.00 H new ATOM 352 N TYR A 24 14.763 -25.888 20.528 1.00 0.00 N ATOM 353 CA TYR A 24 13.531 -25.741 21.296 1.00 0.00 C ATOM 354 C TYR A 24 12.981 -24.325 21.154 1.00 0.00 C ATOM 355 O TYR A 24 11.815 -24.070 21.449 1.00 0.00 O ATOM 356 CB TYR A 24 13.781 -26.045 22.774 1.00 0.00 C ATOM 357 CG TYR A 24 12.486 -25.907 23.539 1.00 0.00 C ATOM 358 CD1 TYR A 24 11.574 -26.971 23.575 1.00 0.00 C ATOM 359 CD2 TYR A 24 12.195 -24.715 24.214 1.00 0.00 C ATOM 360 CE1 TYR A 24 10.375 -26.842 24.286 1.00 0.00 C ATOM 361 CE2 TYR A 24 10.995 -24.587 24.925 1.00 0.00 C ATOM 362 CZ TYR A 24 10.085 -25.650 24.961 1.00 0.00 C ATOM 363 OH TYR A 24 8.902 -25.523 25.662 1.00 0.00 O ATOM 0 H TYR A 24 15.613 -25.924 21.090 1.00 0.00 H new ATOM 0 HA TYR A 24 12.801 -26.450 20.905 1.00 0.00 H new ATOM 0 HB2 TYR A 24 14.178 -27.054 22.887 1.00 0.00 H new ATOM 0 HB3 TYR A 24 14.529 -25.361 23.176 1.00 0.00 H new ATOM 0 HD1 TYR A 24 11.796 -27.891 23.054 1.00 0.00 H new ATOM 0 HD2 TYR A 24 12.896 -23.894 24.186 1.00 0.00 H new ATOM 0 HE1 TYR A 24 9.673 -27.662 24.314 1.00 0.00 H new ATOM 0 HE2 TYR A 24 10.772 -23.668 25.446 1.00 0.00 H new ATOM 0 HH TYR A 24 8.859 -24.634 26.072 1.00 0.00 H new ATOM 373 N LYS A 25 13.833 -23.407 20.702 1.00 0.00 N ATOM 374 CA LYS A 25 13.432 -22.012 20.515 1.00 0.00 C ATOM 375 C LYS A 25 12.974 -21.783 19.078 1.00 0.00 C ATOM 376 O LYS A 25 12.279 -20.813 18.780 1.00 0.00 O ATOM 377 CB LYS A 25 14.609 -21.082 20.833 1.00 0.00 C ATOM 378 CG LYS A 25 14.149 -19.625 20.746 1.00 0.00 C ATOM 379 CD LYS A 25 15.293 -18.701 21.163 1.00 0.00 C ATOM 380 CE LYS A 25 14.816 -17.248 21.109 1.00 0.00 C ATOM 381 NZ LYS A 25 14.543 -16.865 19.695 1.00 0.00 N ATOM 0 H LYS A 25 14.804 -23.602 20.459 1.00 0.00 H new ATOM 0 HA LYS A 25 12.606 -21.793 21.191 1.00 0.00 H new ATOM 0 HB2 LYS A 25 14.994 -21.294 21.831 1.00 0.00 H new ATOM 0 HB3 LYS A 25 15.425 -21.259 20.132 1.00 0.00 H new ATOM 0 HG2 LYS A 25 13.833 -19.393 19.729 1.00 0.00 H new ATOM 0 HG3 LYS A 25 13.286 -19.466 21.392 1.00 0.00 H new ATOM 0 HD2 LYS A 25 15.627 -18.949 22.171 1.00 0.00 H new ATOM 0 HD3 LYS A 25 16.148 -18.840 20.501 1.00 0.00 H new ATOM 0 HE2 LYS A 25 13.914 -17.128 21.710 1.00 0.00 H new ATOM 0 HE3 LYS A 25 15.573 -16.590 21.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 14.518 -15.828 19.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 15.294 -17.242 19.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.626 -17.257 19.400 1.00 0.00 H new ATOM 395 N ARG A 26 13.367 -22.690 18.191 1.00 0.00 N ATOM 396 CA ARG A 26 12.997 -22.586 16.790 1.00 0.00 C ATOM 397 C ARG A 26 11.496 -22.748 16.623 1.00 0.00 C ATOM 398 O ARG A 26 10.871 -22.046 15.829 1.00 0.00 O ATOM 399 CB ARG A 26 13.731 -23.654 15.969 1.00 0.00 C ATOM 400 CG ARG A 26 13.384 -23.511 14.465 1.00 0.00 C ATOM 401 CD ARG A 26 12.354 -24.570 14.045 1.00 0.00 C ATOM 402 NE ARG A 26 12.058 -24.439 12.624 1.00 0.00 N ATOM 403 CZ ARG A 26 12.883 -24.926 11.705 1.00 0.00 C ATOM 404 NH1 ARG A 26 13.983 -25.527 12.069 1.00 0.00 N ATOM 405 NH2 ARG A 26 12.595 -24.802 10.438 1.00 0.00 N ATOM 0 H ARG A 26 13.940 -23.502 18.419 1.00 0.00 H new ATOM 0 HA ARG A 26 13.285 -21.599 16.429 1.00 0.00 H new ATOM 0 HB2 ARG A 26 14.807 -23.556 16.112 1.00 0.00 H new ATOM 0 HB3 ARG A 26 13.452 -24.647 16.320 1.00 0.00 H new ATOM 0 HG2 ARG A 26 12.989 -22.514 14.271 1.00 0.00 H new ATOM 0 HG3 ARG A 26 14.288 -23.618 13.866 1.00 0.00 H new ATOM 0 HD2 ARG A 26 12.740 -25.568 14.254 1.00 0.00 H new ATOM 0 HD3 ARG A 26 11.440 -24.452 14.628 1.00 0.00 H new ATOM 0 HE ARG A 26 11.203 -23.966 12.331 1.00 0.00 H new ATOM 0 HH11 ARG A 26 14.208 -25.622 13.059 1.00 0.00 H new ATOM 0 HH12 ARG A 26 14.617 -25.901 11.363 1.00 0.00 H new ATOM 0 HH21 ARG A 26 11.736 -24.331 10.154 1.00 0.00 H new ATOM 0 HH22 ARG A 26 13.229 -25.176 9.732 1.00 0.00 H new ATOM 419 N ILE A 27 10.922 -23.683 17.368 1.00 0.00 N ATOM 420 CA ILE A 27 9.492 -23.925 17.277 1.00 0.00 C ATOM 421 C ILE A 27 8.720 -22.692 17.715 1.00 0.00 C ATOM 422 O ILE A 27 7.775 -22.268 17.051 1.00 0.00 O ATOM 423 CB ILE A 27 9.107 -25.109 18.166 1.00 0.00 C ATOM 424 CG1 ILE A 27 7.629 -25.448 17.962 1.00 0.00 C ATOM 425 CG2 ILE A 27 9.349 -24.751 19.636 1.00 0.00 C ATOM 426 CD1 ILE A 27 7.330 -26.806 18.602 1.00 0.00 C ATOM 0 H ILE A 27 11.417 -24.278 18.032 1.00 0.00 H new ATOM 0 HA ILE A 27 9.243 -24.152 16.240 1.00 0.00 H new ATOM 0 HB ILE A 27 9.717 -25.971 17.897 1.00 0.00 H new ATOM 0 HG12 ILE A 27 7.002 -24.676 18.408 1.00 0.00 H new ATOM 0 HG13 ILE A 27 7.393 -25.474 16.898 1.00 0.00 H new ATOM 0 HG21 ILE A 27 9.074 -25.596 20.266 1.00 0.00 H new ATOM 0 HG22 ILE A 27 10.403 -24.516 19.784 1.00 0.00 H new ATOM 0 HG23 ILE A 27 8.743 -23.886 19.904 1.00 0.00 H new ATOM 0 HD11 ILE A 27 6.278 -27.052 18.459 1.00 0.00 H new ATOM 0 HD12 ILE A 27 7.948 -27.572 18.135 1.00 0.00 H new ATOM 0 HD13 ILE A 27 7.551 -26.762 19.669 1.00 0.00 H new ATOM 438 N LEU A 28 9.134 -22.116 18.835 1.00 0.00 N ATOM 439 CA LEU A 28 8.478 -20.925 19.351 1.00 0.00 C ATOM 440 C LEU A 28 8.670 -19.755 18.392 1.00 0.00 C ATOM 441 O LEU A 28 7.731 -19.012 18.107 1.00 0.00 O ATOM 442 CB LEU A 28 9.052 -20.570 20.728 1.00 0.00 C ATOM 443 CG LEU A 28 8.348 -19.329 21.300 1.00 0.00 C ATOM 444 CD1 LEU A 28 6.839 -19.594 21.452 1.00 0.00 C ATOM 445 CD2 LEU A 28 8.960 -18.995 22.666 1.00 0.00 C ATOM 0 H LEU A 28 9.915 -22.451 19.399 1.00 0.00 H new ATOM 0 HA LEU A 28 7.411 -21.127 19.447 1.00 0.00 H new ATOM 0 HB2 LEU A 28 8.928 -21.412 21.409 1.00 0.00 H new ATOM 0 HB3 LEU A 28 10.123 -20.382 20.645 1.00 0.00 H new ATOM 0 HG LEU A 28 8.484 -18.489 20.619 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.353 -18.707 21.858 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.411 -19.828 20.477 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.684 -20.435 22.128 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.467 -18.116 23.080 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.824 -19.839 23.342 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.024 -18.792 22.548 1.00 0.00 H new ATOM 457 N ALA A 29 9.898 -19.596 17.905 1.00 0.00 N ATOM 458 CA ALA A 29 10.215 -18.509 16.983 1.00 0.00 C ATOM 459 C ALA A 29 9.496 -18.705 15.655 1.00 0.00 C ATOM 460 O ALA A 29 9.042 -17.743 15.034 1.00 0.00 O ATOM 461 CB ALA A 29 11.726 -18.444 16.752 1.00 0.00 C ATOM 0 H ALA A 29 10.686 -20.203 18.132 1.00 0.00 H new ATOM 0 HA ALA A 29 9.878 -17.571 17.425 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.954 -17.631 16.063 1.00 0.00 H new ATOM 0 HB2 ALA A 29 12.232 -18.268 17.701 1.00 0.00 H new ATOM 0 HB3 ALA A 29 12.070 -19.387 16.327 1.00 0.00 H new ATOM 467 N LYS A 30 9.389 -19.956 15.230 1.00 0.00 N ATOM 468 CA LYS A 30 8.717 -20.276 13.979 1.00 0.00 C ATOM 469 C LYS A 30 7.264 -19.833 14.028 1.00 0.00 C ATOM 470 O LYS A 30 6.675 -19.498 13.003 1.00 0.00 O ATOM 471 CB LYS A 30 8.784 -21.778 13.718 1.00 0.00 C ATOM 472 CG LYS A 30 8.161 -22.085 12.355 1.00 0.00 C ATOM 473 CD LYS A 30 8.417 -23.550 11.985 1.00 0.00 C ATOM 474 CE LYS A 30 7.774 -24.470 13.024 1.00 0.00 C ATOM 475 NZ LYS A 30 7.606 -25.836 12.450 1.00 0.00 N ATOM 0 H LYS A 30 9.758 -20.764 15.732 1.00 0.00 H new ATOM 0 HA LYS A 30 9.222 -19.746 13.171 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.820 -22.116 13.741 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.254 -22.319 14.502 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.089 -21.889 12.383 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.585 -21.429 11.595 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.008 -23.761 10.997 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.489 -23.739 11.933 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.395 -24.515 13.918 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.806 -24.071 13.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.598 -26.012 12.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.141 -25.907 11.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.961 -26.543 13.126 1.00 0.00 H new ATOM 489 N LEU A 31 6.692 -19.837 15.225 1.00 0.00 N ATOM 490 CA LEU A 31 5.302 -19.441 15.392 1.00 0.00 C ATOM 491 C LEU A 31 5.103 -18.012 14.906 1.00 0.00 C ATOM 492 O LEU A 31 4.100 -17.701 14.261 1.00 0.00 O ATOM 493 CB LEU A 31 4.904 -19.537 16.869 1.00 0.00 C ATOM 494 CG LEU A 31 3.404 -19.246 17.032 1.00 0.00 C ATOM 495 CD1 LEU A 31 2.568 -20.332 16.331 1.00 0.00 C ATOM 496 CD2 LEU A 31 3.062 -19.205 18.528 1.00 0.00 C ATOM 0 H LEU A 31 7.165 -20.108 16.087 1.00 0.00 H new ATOM 0 HA LEU A 31 4.675 -20.111 14.804 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.133 -20.532 17.251 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.486 -18.828 17.457 1.00 0.00 H new ATOM 0 HG LEU A 31 3.171 -18.284 16.575 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.508 -20.112 16.455 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.813 -20.350 15.269 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.791 -21.304 16.772 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.999 -18.999 18.653 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.301 -20.167 18.982 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.643 -18.420 19.013 1.00 0.00 H new ATOM 508 N GLN A 32 6.057 -17.145 15.217 1.00 0.00 N ATOM 509 CA GLN A 32 5.966 -15.752 14.805 1.00 0.00 C ATOM 510 C GLN A 32 5.707 -15.659 13.305 1.00 0.00 C ATOM 511 O GLN A 32 4.926 -14.824 12.850 1.00 0.00 O ATOM 512 CB GLN A 32 7.267 -15.024 15.150 1.00 0.00 C ATOM 513 CG GLN A 32 7.174 -13.561 14.709 1.00 0.00 C ATOM 514 CD GLN A 32 8.387 -12.788 15.218 1.00 0.00 C ATOM 515 OE1 GLN A 32 9.087 -13.251 16.119 1.00 0.00 O ATOM 516 NE2 GLN A 32 8.680 -11.632 14.688 1.00 0.00 N ATOM 0 H GLN A 32 6.896 -17.379 15.748 1.00 0.00 H new ATOM 0 HA GLN A 32 5.137 -15.283 15.335 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.452 -15.079 16.223 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.109 -15.510 14.656 1.00 0.00 H new ATOM 0 HG2 GLN A 32 7.124 -13.502 13.622 1.00 0.00 H new ATOM 0 HG3 GLN A 32 6.258 -13.113 15.095 1.00 0.00 H new ATOM 0 HE21 GLN A 32 8.098 -11.251 13.942 1.00 0.00 H new ATOM 0 HE22 GLN A 32 9.491 -11.110 15.020 1.00 0.00 H new ATOM 525 N ARG A 33 6.365 -16.525 12.541 1.00 0.00 N ATOM 526 CA ARG A 33 6.194 -16.532 11.093 1.00 0.00 C ATOM 527 C ARG A 33 4.755 -16.915 10.737 1.00 0.00 C ATOM 528 O ARG A 33 4.148 -16.339 9.837 1.00 0.00 O ATOM 529 CB ARG A 33 7.187 -17.527 10.457 1.00 0.00 C ATOM 530 CG ARG A 33 7.664 -17.012 9.092 1.00 0.00 C ATOM 531 CD ARG A 33 6.469 -16.824 8.159 1.00 0.00 C ATOM 532 NE ARG A 33 6.929 -16.699 6.780 1.00 0.00 N ATOM 533 CZ ARG A 33 7.286 -15.525 6.269 1.00 0.00 C ATOM 534 NH1 ARG A 33 7.229 -14.446 7.001 1.00 0.00 N ATOM 535 NH2 ARG A 33 7.697 -15.454 5.033 1.00 0.00 N ATOM 0 H ARG A 33 7.016 -17.225 12.897 1.00 0.00 H new ATOM 0 HA ARG A 33 6.395 -15.534 10.703 1.00 0.00 H new ATOM 0 HB2 ARG A 33 8.042 -17.669 11.118 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.710 -18.500 10.339 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.192 -16.067 9.215 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.370 -17.717 8.654 1.00 0.00 H new ATOM 0 HD2 ARG A 33 5.790 -17.672 8.249 1.00 0.00 H new ATOM 0 HD3 ARG A 33 5.909 -15.934 8.447 1.00 0.00 H new ATOM 0 HE ARG A 33 6.978 -17.532 6.194 1.00 0.00 H new ATOM 0 HH11 ARG A 33 6.910 -14.502 7.968 1.00 0.00 H new ATOM 0 HH12 ARG A 33 7.504 -13.547 6.606 1.00 0.00 H new ATOM 0 HH21 ARG A 33 7.744 -16.298 4.462 1.00 0.00 H new ATOM 0 HH22 ARG A 33 7.972 -14.555 4.638 1.00 0.00 H new ATOM 549 N ILE A 34 4.222 -17.898 11.451 1.00 0.00 N ATOM 550 CA ILE A 34 2.865 -18.362 11.203 1.00 0.00 C ATOM 551 C ILE A 34 1.878 -17.229 11.438 1.00 0.00 C ATOM 552 O ILE A 34 0.931 -17.054 10.677 1.00 0.00 O ATOM 553 CB ILE A 34 2.530 -19.531 12.131 1.00 0.00 C ATOM 554 CG1 ILE A 34 3.624 -20.602 12.035 1.00 0.00 C ATOM 555 CG2 ILE A 34 1.185 -20.140 11.727 1.00 0.00 C ATOM 556 CD1 ILE A 34 3.869 -20.992 10.576 1.00 0.00 C ATOM 0 H ILE A 34 4.707 -18.387 12.203 1.00 0.00 H new ATOM 0 HA ILE A 34 2.793 -18.695 10.168 1.00 0.00 H new ATOM 0 HB ILE A 34 2.471 -19.166 13.157 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.547 -20.227 12.477 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.331 -21.482 12.608 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.949 -20.973 12.390 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.405 -19.383 11.804 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.242 -20.499 10.699 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.648 -21.753 10.529 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.949 -21.388 10.146 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.185 -20.114 10.013 1.00 0.00 H new ATOM 568 N HIS A 35 2.098 -16.466 12.499 1.00 0.00 N ATOM 569 CA HIS A 35 1.209 -15.357 12.813 1.00 0.00 C ATOM 570 C HIS A 35 1.062 -14.434 11.604 1.00 0.00 C ATOM 571 O HIS A 35 -0.051 -14.077 11.218 1.00 0.00 O ATOM 572 CB HIS A 35 1.776 -14.565 13.992 1.00 0.00 C ATOM 573 CG HIS A 35 1.690 -15.395 15.240 1.00 0.00 C ATOM 574 ND1 HIS A 35 0.755 -16.405 15.394 1.00 0.00 N ATOM 575 CD2 HIS A 35 2.416 -15.374 16.404 1.00 0.00 C ATOM 576 CE1 HIS A 35 0.939 -16.945 16.612 1.00 0.00 C ATOM 577 NE2 HIS A 35 1.939 -16.353 17.270 1.00 0.00 N ATOM 0 H HIS A 35 2.874 -16.592 13.149 1.00 0.00 H new ATOM 0 HA HIS A 35 0.229 -15.756 13.074 1.00 0.00 H new ATOM 0 HB2 HIS A 35 2.813 -14.291 13.795 1.00 0.00 H new ATOM 0 HB3 HIS A 35 1.220 -13.636 14.121 1.00 0.00 H new ATOM 0 HD2 HIS A 35 3.233 -14.700 16.616 1.00 0.00 H new ATOM 0 HE1 HIS A 35 0.350 -17.758 17.009 1.00 0.00 H new ATOM 0 HE2 HIS A 35 2.280 -16.572 18.206 1.00 0.00 H new ATOM 585 N ASN A 36 2.188 -14.059 11.003 1.00 0.00 N ATOM 586 CA ASN A 36 2.162 -13.185 9.832 1.00 0.00 C ATOM 587 C ASN A 36 1.536 -13.900 8.636 1.00 0.00 C ATOM 588 O ASN A 36 0.751 -13.314 7.889 1.00 0.00 O ATOM 589 CB ASN A 36 3.583 -12.742 9.480 1.00 0.00 C ATOM 590 CG ASN A 36 3.563 -11.857 8.238 1.00 0.00 C ATOM 591 OD1 ASN A 36 2.527 -11.717 7.589 1.00 0.00 O ATOM 592 ND2 ASN A 36 4.653 -11.245 7.868 1.00 0.00 N ATOM 0 H ASN A 36 3.121 -14.342 11.303 1.00 0.00 H new ATOM 0 HA ASN A 36 1.557 -12.310 10.071 1.00 0.00 H new ATOM 0 HB2 ASN A 36 4.021 -12.198 10.317 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.211 -13.615 9.304 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.648 -10.649 7.040 1.00 0.00 H new ATOM 0 HD22 ASN A 36 5.511 -11.362 8.407 1.00 0.00 H new ATOM 599 N SER A 37 1.896 -15.170 8.462 1.00 0.00 N ATOM 600 CA SER A 37 1.383 -15.978 7.360 1.00 0.00 C ATOM 601 C SER A 37 0.156 -16.758 7.806 1.00 0.00 C ATOM 602 O SER A 37 -0.217 -17.755 7.193 1.00 0.00 O ATOM 603 CB SER A 37 2.464 -16.941 6.872 1.00 0.00 C ATOM 604 OG SER A 37 3.455 -16.210 6.162 1.00 0.00 O ATOM 0 H SER A 37 2.545 -15.663 9.075 1.00 0.00 H new ATOM 0 HA SER A 37 1.100 -15.316 6.542 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.914 -17.460 7.718 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.025 -17.703 6.227 1.00 0.00 H new ATOM 0 HG SER A 37 4.152 -16.823 5.848 1.00 0.00 H new ATOM 610 N ASN A 38 -0.463 -16.308 8.891 1.00 0.00 N ATOM 611 CA ASN A 38 -1.646 -16.982 9.408 1.00 0.00 C ATOM 612 C ASN A 38 -2.608 -17.295 8.270 1.00 0.00 C ATOM 613 O ASN A 38 -2.639 -16.581 7.268 1.00 0.00 O ATOM 614 CB ASN A 38 -2.351 -16.090 10.434 1.00 0.00 C ATOM 615 CG ASN A 38 -2.791 -14.784 9.778 1.00 0.00 C ATOM 616 OD1 ASN A 38 -2.650 -14.617 8.567 1.00 0.00 O ATOM 617 ND2 ASN A 38 -3.322 -13.842 10.508 1.00 0.00 N ATOM 0 H ASN A 38 -0.170 -15.489 9.424 1.00 0.00 H new ATOM 0 HA ASN A 38 -1.336 -17.911 9.886 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -3.217 -16.609 10.845 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -1.680 -15.880 11.267 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -3.620 -12.968 10.075 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -3.439 -13.980 11.512 1.00 0.00 H new ATOM 624 N ILE A 39 -3.384 -18.370 8.432 1.00 0.00 N ATOM 625 CA ILE A 39 -4.356 -18.792 7.418 1.00 0.00 C ATOM 626 C ILE A 39 -3.898 -18.429 6.009 1.00 0.00 C ATOM 627 O ILE A 39 -4.587 -17.706 5.290 1.00 0.00 O ATOM 628 CB ILE A 39 -5.710 -18.150 7.698 1.00 0.00 C ATOM 629 CG1 ILE A 39 -5.516 -16.667 7.917 1.00 0.00 C ATOM 630 CG2 ILE A 39 -6.330 -18.775 8.948 1.00 0.00 C ATOM 631 CD1 ILE A 39 -6.873 -15.977 7.937 1.00 0.00 C ATOM 0 H ILE A 39 -3.358 -18.967 9.259 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.442 -19.877 7.474 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.375 -18.315 6.850 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.993 -16.492 8.857 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.895 -16.249 7.125 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -7.298 -18.313 9.144 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -6.464 -19.845 8.791 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.671 -18.613 9.801 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.735 -14.907 8.095 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -7.379 -16.141 6.985 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -7.478 -16.388 8.745 1.00 0.00 H new ATOM 643 N LEU A 40 -2.723 -18.933 5.622 1.00 0.00 N ATOM 644 CA LEU A 40 -2.169 -18.655 4.291 1.00 0.00 C ATOM 645 C LEU A 40 -2.035 -19.943 3.489 1.00 0.00 C ATOM 646 O LEU A 40 -1.338 -20.870 3.894 1.00 0.00 O ATOM 647 CB LEU A 40 -0.799 -17.985 4.430 1.00 0.00 C ATOM 648 CG LEU A 40 -0.290 -17.517 3.058 1.00 0.00 C ATOM 649 CD1 LEU A 40 -1.238 -16.451 2.468 1.00 0.00 C ATOM 650 CD2 LEU A 40 1.123 -16.936 3.219 1.00 0.00 C ATOM 0 H LEU A 40 -2.139 -19.532 6.206 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.848 -17.985 3.763 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.870 -17.135 5.108 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.088 -18.684 4.870 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.262 -18.366 2.374 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.864 -16.129 1.496 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.235 -16.876 2.351 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.285 -15.594 3.140 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.492 -16.601 2.249 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.093 -16.091 3.907 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.789 -17.703 3.615 1.00 0.00 H new ATOM 662 N ASP A 41 -2.715 -19.996 2.352 1.00 0.00 N ATOM 663 CA ASP A 41 -2.679 -21.179 1.500 1.00 0.00 C ATOM 664 C ASP A 41 -1.265 -21.739 1.398 1.00 0.00 C ATOM 665 O ASP A 41 -1.072 -22.904 1.053 1.00 0.00 O ATOM 666 CB ASP A 41 -3.198 -20.827 0.107 1.00 0.00 C ATOM 667 CG ASP A 41 -3.461 -22.103 -0.683 1.00 0.00 C ATOM 668 OD1 ASP A 41 -4.329 -22.858 -0.280 1.00 0.00 O ATOM 669 OD2 ASP A 41 -2.785 -22.308 -1.678 1.00 0.00 O ATOM 0 H ASP A 41 -3.297 -19.237 1.998 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.316 -21.942 1.947 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.115 -20.243 0.187 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -2.470 -20.208 -0.417 1.00 0.00 H new ATOM 674 N GLU A 42 -0.285 -20.904 1.703 1.00 0.00 N ATOM 675 CA GLU A 42 1.109 -21.320 1.649 1.00 0.00 C ATOM 676 C GLU A 42 1.495 -22.092 2.908 1.00 0.00 C ATOM 677 O GLU A 42 1.964 -23.228 2.832 1.00 0.00 O ATOM 678 CB GLU A 42 2.008 -20.091 1.504 1.00 0.00 C ATOM 679 CG GLU A 42 3.470 -20.533 1.382 1.00 0.00 C ATOM 680 CD GLU A 42 4.364 -19.326 1.123 1.00 0.00 C ATOM 681 OE1 GLU A 42 3.882 -18.214 1.257 1.00 0.00 O ATOM 682 OE2 GLU A 42 5.523 -19.533 0.794 1.00 0.00 O ATOM 0 H GLU A 42 -0.427 -19.936 1.990 1.00 0.00 H new ATOM 0 HA GLU A 42 1.240 -21.975 0.788 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.717 -19.517 0.624 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.887 -19.436 2.367 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.783 -21.037 2.296 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.574 -21.253 0.570 1.00 0.00 H new ATOM 689 N ARG A 43 1.309 -21.461 4.066 1.00 0.00 N ATOM 690 CA ARG A 43 1.655 -22.093 5.338 1.00 0.00 C ATOM 691 C ARG A 43 0.563 -23.061 5.787 1.00 0.00 C ATOM 692 O ARG A 43 0.821 -23.971 6.574 1.00 0.00 O ATOM 693 CB ARG A 43 1.883 -21.009 6.412 1.00 0.00 C ATOM 694 CG ARG A 43 3.319 -20.463 6.322 1.00 0.00 C ATOM 695 CD ARG A 43 4.301 -21.402 7.035 1.00 0.00 C ATOM 696 NE ARG A 43 5.627 -20.794 7.061 1.00 0.00 N ATOM 697 CZ ARG A 43 6.487 -20.970 6.062 1.00 0.00 C ATOM 698 NH1 ARG A 43 6.141 -21.675 5.020 1.00 0.00 N ATOM 699 NH2 ARG A 43 7.671 -20.426 6.123 1.00 0.00 N ATOM 0 H ARG A 43 0.924 -20.520 4.150 1.00 0.00 H new ATOM 0 HA ARG A 43 2.573 -22.665 5.201 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.169 -20.197 6.276 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.707 -21.427 7.403 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.607 -20.353 5.276 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.365 -19.471 6.771 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.960 -21.598 8.051 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.340 -22.362 6.521 1.00 0.00 H new ATOM 0 HE ARG A 43 5.900 -20.223 7.861 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.211 -22.091 4.972 1.00 0.00 H new ATOM 0 HH12 ARG A 43 6.801 -21.810 4.254 1.00 0.00 H new ATOM 0 HH21 ARG A 43 7.935 -19.868 6.935 1.00 0.00 H new ATOM 0 HH22 ARG A 43 8.333 -20.559 5.359 1.00 0.00 H new ATOM 713 N GLN A 44 -0.647 -22.870 5.279 1.00 0.00 N ATOM 714 CA GLN A 44 -1.759 -23.743 5.637 1.00 0.00 C ATOM 715 C GLN A 44 -1.315 -25.204 5.634 1.00 0.00 C ATOM 716 O GLN A 44 -1.820 -26.018 6.405 1.00 0.00 O ATOM 717 CB GLN A 44 -2.920 -23.535 4.647 1.00 0.00 C ATOM 718 CG GLN A 44 -3.791 -22.354 5.098 1.00 0.00 C ATOM 719 CD GLN A 44 -4.867 -22.075 4.054 1.00 0.00 C ATOM 720 OE1 GLN A 44 -5.538 -22.997 3.590 1.00 0.00 O ATOM 721 NE2 GLN A 44 -5.073 -20.850 3.653 1.00 0.00 N ATOM 0 H GLN A 44 -0.884 -22.125 4.623 1.00 0.00 H new ATOM 0 HA GLN A 44 -2.097 -23.491 6.642 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -2.527 -23.347 3.648 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -3.524 -24.440 4.587 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -4.254 -22.578 6.059 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -3.172 -21.468 5.241 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -4.516 -20.087 4.038 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -5.791 -20.656 2.955 1.00 0.00 H new ATOM 730 N GLY A 45 -0.361 -25.526 4.769 1.00 0.00 N ATOM 731 CA GLY A 45 0.148 -26.887 4.690 1.00 0.00 C ATOM 732 C GLY A 45 1.034 -27.199 5.888 1.00 0.00 C ATOM 733 O GLY A 45 1.024 -28.314 6.410 1.00 0.00 O ATOM 0 H GLY A 45 0.071 -24.870 4.119 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.684 -27.590 4.653 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.715 -27.016 3.768 1.00 0.00 H new ATOM 737 N LEU A 46 1.811 -26.208 6.307 1.00 0.00 N ATOM 738 CA LEU A 46 2.716 -26.386 7.435 1.00 0.00 C ATOM 739 C LEU A 46 1.935 -26.666 8.712 1.00 0.00 C ATOM 740 O LEU A 46 2.357 -27.467 9.546 1.00 0.00 O ATOM 741 CB LEU A 46 3.600 -25.136 7.615 1.00 0.00 C ATOM 742 CG LEU A 46 4.879 -25.470 8.436 1.00 0.00 C ATOM 743 CD1 LEU A 46 6.038 -24.579 7.981 1.00 0.00 C ATOM 744 CD2 LEU A 46 4.642 -25.225 9.930 1.00 0.00 C ATOM 0 H LEU A 46 1.833 -25.279 5.886 1.00 0.00 H new ATOM 0 HA LEU A 46 3.357 -27.243 7.228 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.883 -24.743 6.639 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.033 -24.355 8.121 1.00 0.00 H new ATOM 0 HG LEU A 46 5.120 -26.520 8.271 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.930 -24.818 8.560 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.235 -24.751 6.923 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.775 -23.533 8.136 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.548 -25.465 10.486 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.384 -24.178 10.091 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.825 -25.858 10.277 1.00 0.00 H new ATOM 756 N MET A 47 0.795 -25.997 8.860 1.00 0.00 N ATOM 757 CA MET A 47 -0.034 -26.169 10.048 1.00 0.00 C ATOM 758 C MET A 47 -0.145 -27.649 10.412 1.00 0.00 C ATOM 759 O MET A 47 -0.176 -28.005 11.591 1.00 0.00 O ATOM 760 CB MET A 47 -1.436 -25.595 9.779 1.00 0.00 C ATOM 761 CG MET A 47 -1.445 -24.082 10.020 1.00 0.00 C ATOM 762 SD MET A 47 -0.245 -23.281 8.932 1.00 0.00 S ATOM 763 CE MET A 47 -0.938 -21.613 9.032 1.00 0.00 C ATOM 0 H MET A 47 0.426 -25.335 8.177 1.00 0.00 H new ATOM 0 HA MET A 47 0.427 -25.639 10.881 1.00 0.00 H new ATOM 0 HB2 MET A 47 -1.733 -25.809 8.752 1.00 0.00 H new ATOM 0 HB3 MET A 47 -2.165 -26.078 10.429 1.00 0.00 H new ATOM 0 HG2 MET A 47 -2.442 -23.681 9.835 1.00 0.00 H new ATOM 0 HG3 MET A 47 -1.204 -23.869 11.061 1.00 0.00 H new ATOM 0 HE1 MET A 47 -0.342 -20.934 8.422 1.00 0.00 H new ATOM 0 HE2 MET A 47 -1.965 -21.623 8.666 1.00 0.00 H new ATOM 0 HE3 MET A 47 -0.925 -21.275 10.068 1.00 0.00 H new ATOM 773 N HIS A 48 -0.190 -28.507 9.403 1.00 0.00 N ATOM 774 CA HIS A 48 -0.282 -29.940 9.646 1.00 0.00 C ATOM 775 C HIS A 48 0.930 -30.423 10.436 1.00 0.00 C ATOM 776 O HIS A 48 0.798 -31.211 11.372 1.00 0.00 O ATOM 777 CB HIS A 48 -0.362 -30.688 8.314 1.00 0.00 C ATOM 778 CG HIS A 48 -1.719 -30.475 7.704 1.00 0.00 C ATOM 779 ND1 HIS A 48 -2.048 -29.318 7.015 1.00 0.00 N ATOM 780 CD2 HIS A 48 -2.844 -31.260 7.678 1.00 0.00 C ATOM 781 CE1 HIS A 48 -3.325 -29.439 6.607 1.00 0.00 C ATOM 782 NE2 HIS A 48 -3.856 -30.604 6.984 1.00 0.00 N ATOM 0 H HIS A 48 -0.165 -28.241 8.419 1.00 0.00 H new ATOM 0 HA HIS A 48 -1.183 -30.139 10.227 1.00 0.00 H new ATOM 0 HB2 HIS A 48 0.414 -30.331 7.637 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -0.184 -31.752 8.470 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -2.931 -32.238 8.128 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -3.855 -28.685 6.043 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -4.801 -30.941 6.802 1.00 0.00 H new ATOM 790 N GLU A 49 2.108 -29.945 10.054 1.00 0.00 N ATOM 791 CA GLU A 49 3.335 -30.332 10.739 1.00 0.00 C ATOM 792 C GLU A 49 3.469 -29.596 12.064 1.00 0.00 C ATOM 793 O GLU A 49 4.034 -30.117 13.019 1.00 0.00 O ATOM 794 CB GLU A 49 4.551 -30.023 9.866 1.00 0.00 C ATOM 795 CG GLU A 49 4.543 -30.937 8.642 1.00 0.00 C ATOM 796 CD GLU A 49 5.714 -30.600 7.727 1.00 0.00 C ATOM 797 OE1 GLU A 49 6.491 -29.731 8.086 1.00 0.00 O ATOM 798 OE2 GLU A 49 5.817 -31.217 6.679 1.00 0.00 O ATOM 0 H GLU A 49 2.240 -29.294 9.280 1.00 0.00 H new ATOM 0 HA GLU A 49 3.288 -31.404 10.931 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.532 -28.979 9.554 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.468 -30.169 10.436 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.606 -31.979 8.956 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.604 -30.823 8.100 1.00 0.00 H new ATOM 805 N LEU A 50 2.962 -28.374 12.115 1.00 0.00 N ATOM 806 CA LEU A 50 3.068 -27.580 13.329 1.00 0.00 C ATOM 807 C LEU A 50 2.476 -28.350 14.504 1.00 0.00 C ATOM 808 O LEU A 50 3.076 -28.427 15.575 1.00 0.00 O ATOM 809 CB LEU A 50 2.308 -26.254 13.124 1.00 0.00 C ATOM 810 CG LEU A 50 2.906 -25.132 13.995 1.00 0.00 C ATOM 811 CD1 LEU A 50 2.917 -25.565 15.464 1.00 0.00 C ATOM 812 CD2 LEU A 50 4.341 -24.798 13.533 1.00 0.00 C ATOM 0 H LEU A 50 2.480 -27.916 11.342 1.00 0.00 H new ATOM 0 HA LEU A 50 4.116 -27.370 13.545 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.351 -25.965 12.074 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.256 -26.392 13.374 1.00 0.00 H new ATOM 0 HG LEU A 50 2.290 -24.239 13.888 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.341 -24.768 16.075 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.897 -25.770 15.791 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.521 -26.466 15.573 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.749 -24.004 14.158 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.967 -25.686 13.620 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.321 -24.468 12.494 1.00 0.00 H new ATOM 824 N MET A 51 1.309 -28.935 14.296 1.00 0.00 N ATOM 825 CA MET A 51 0.665 -29.700 15.349 1.00 0.00 C ATOM 826 C MET A 51 1.509 -30.918 15.720 1.00 0.00 C ATOM 827 O MET A 51 1.607 -31.283 16.892 1.00 0.00 O ATOM 828 CB MET A 51 -0.719 -30.147 14.887 1.00 0.00 C ATOM 829 CG MET A 51 -1.420 -30.892 16.022 1.00 0.00 C ATOM 830 SD MET A 51 -3.106 -31.309 15.517 1.00 0.00 S ATOM 831 CE MET A 51 -2.713 -32.865 14.682 1.00 0.00 C ATOM 0 H MET A 51 0.793 -28.896 13.417 1.00 0.00 H new ATOM 0 HA MET A 51 0.565 -29.067 16.231 1.00 0.00 H new ATOM 0 HB2 MET A 51 -1.310 -29.282 14.586 1.00 0.00 H new ATOM 0 HB3 MET A 51 -0.631 -30.793 14.013 1.00 0.00 H new ATOM 0 HG2 MET A 51 -0.869 -31.799 16.272 1.00 0.00 H new ATOM 0 HG3 MET A 51 -1.440 -30.274 16.920 1.00 0.00 H new ATOM 0 HE1 MET A 51 -3.627 -33.306 14.285 1.00 0.00 H new ATOM 0 HE2 MET A 51 -2.017 -32.674 13.865 1.00 0.00 H new ATOM 0 HE3 MET A 51 -2.257 -33.554 15.393 1.00 0.00 H new ATOM 841 N GLU A 52 2.106 -31.551 14.716 1.00 0.00 N ATOM 842 CA GLU A 52 2.926 -32.736 14.949 1.00 0.00 C ATOM 843 C GLU A 52 4.110 -32.417 15.859 1.00 0.00 C ATOM 844 O GLU A 52 4.355 -33.119 16.841 1.00 0.00 O ATOM 845 CB GLU A 52 3.447 -33.265 13.613 1.00 0.00 C ATOM 846 CG GLU A 52 2.278 -33.790 12.781 1.00 0.00 C ATOM 847 CD GLU A 52 2.761 -34.176 11.388 1.00 0.00 C ATOM 848 OE1 GLU A 52 3.950 -34.061 11.141 1.00 0.00 O ATOM 849 OE2 GLU A 52 1.934 -34.578 10.585 1.00 0.00 O ATOM 0 H GLU A 52 2.039 -31.266 13.739 1.00 0.00 H new ATOM 0 HA GLU A 52 2.307 -33.489 15.437 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.964 -32.472 13.073 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.172 -34.061 13.783 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.831 -34.654 13.272 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.502 -33.028 12.708 1.00 0.00 H new ATOM 856 N LEU A 53 4.843 -31.361 15.526 1.00 0.00 N ATOM 857 CA LEU A 53 6.000 -30.968 16.323 1.00 0.00 C ATOM 858 C LEU A 53 5.575 -30.568 17.732 1.00 0.00 C ATOM 859 O LEU A 53 6.222 -30.937 18.711 1.00 0.00 O ATOM 860 CB LEU A 53 6.722 -29.794 15.635 1.00 0.00 C ATOM 861 CG LEU A 53 7.749 -30.312 14.607 1.00 0.00 C ATOM 862 CD1 LEU A 53 8.955 -30.960 15.323 1.00 0.00 C ATOM 863 CD2 LEU A 53 7.083 -31.337 13.677 1.00 0.00 C ATOM 0 H LEU A 53 4.660 -30.766 14.718 1.00 0.00 H new ATOM 0 HA LEU A 53 6.679 -31.818 16.401 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.993 -29.154 15.138 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.226 -29.182 16.383 1.00 0.00 H new ATOM 0 HG LEU A 53 8.107 -29.468 14.018 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.668 -31.319 14.581 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.438 -30.222 15.963 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.611 -31.797 15.930 1.00 0.00 H new ATOM 0 HD21 LEU A 53 7.813 -31.700 12.953 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.710 -32.174 14.266 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.253 -30.865 13.151 1.00 0.00 H new ATOM 875 N ILE A 54 4.492 -29.817 17.832 1.00 0.00 N ATOM 876 CA ILE A 54 4.011 -29.390 19.133 1.00 0.00 C ATOM 877 C ILE A 54 3.577 -30.597 19.957 1.00 0.00 C ATOM 878 O ILE A 54 3.868 -30.686 21.145 1.00 0.00 O ATOM 879 CB ILE A 54 2.844 -28.415 18.972 1.00 0.00 C ATOM 880 CG1 ILE A 54 3.360 -27.090 18.372 1.00 0.00 C ATOM 881 CG2 ILE A 54 2.176 -28.162 20.330 1.00 0.00 C ATOM 882 CD1 ILE A 54 3.924 -26.151 19.456 1.00 0.00 C ATOM 0 H ILE A 54 3.936 -29.494 17.040 1.00 0.00 H new ATOM 0 HA ILE A 54 4.822 -28.882 19.655 1.00 0.00 H new ATOM 0 HB ILE A 54 2.103 -28.847 18.299 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.135 -27.302 17.636 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.548 -26.590 17.844 1.00 0.00 H new ATOM 0 HG21 ILE A 54 1.346 -27.466 20.203 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.802 -29.103 20.733 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.904 -27.736 21.020 1.00 0.00 H new ATOM 0 HD11 ILE A 54 4.277 -25.230 18.992 1.00 0.00 H new ATOM 0 HD12 ILE A 54 3.141 -25.917 20.178 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.753 -26.641 19.966 1.00 0.00 H new ATOM 894 N ASP A 55 2.875 -31.521 19.320 1.00 0.00 N ATOM 895 CA ASP A 55 2.401 -32.701 20.012 1.00 0.00 C ATOM 896 C ASP A 55 3.571 -33.475 20.593 1.00 0.00 C ATOM 897 O ASP A 55 3.545 -33.882 21.753 1.00 0.00 O ATOM 898 CB ASP A 55 1.620 -33.587 19.041 1.00 0.00 C ATOM 899 CG ASP A 55 0.847 -34.654 19.807 1.00 0.00 C ATOM 900 OD1 ASP A 55 0.589 -34.443 20.980 1.00 0.00 O ATOM 901 OD2 ASP A 55 0.520 -35.664 19.207 1.00 0.00 O ATOM 0 H ASP A 55 2.624 -31.475 18.332 1.00 0.00 H new ATOM 0 HA ASP A 55 1.746 -32.395 20.827 1.00 0.00 H new ATOM 0 HB2 ASP A 55 0.931 -32.978 18.456 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.305 -34.059 18.337 1.00 0.00 H new ATOM 906 N LEU A 56 4.596 -33.677 19.780 1.00 0.00 N ATOM 907 CA LEU A 56 5.766 -34.407 20.232 1.00 0.00 C ATOM 908 C LEU A 56 6.532 -33.614 21.289 1.00 0.00 C ATOM 909 O LEU A 56 6.991 -34.168 22.287 1.00 0.00 O ATOM 910 CB LEU A 56 6.681 -34.713 19.047 1.00 0.00 C ATOM 911 CG LEU A 56 5.973 -35.675 18.081 1.00 0.00 C ATOM 912 CD1 LEU A 56 6.813 -35.815 16.806 1.00 0.00 C ATOM 913 CD2 LEU A 56 5.779 -37.059 18.737 1.00 0.00 C ATOM 0 H LEU A 56 4.641 -33.349 18.815 1.00 0.00 H new ATOM 0 HA LEU A 56 5.431 -35.342 20.681 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.943 -33.790 18.530 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.612 -35.156 19.399 1.00 0.00 H new ATOM 0 HG LEU A 56 4.991 -35.273 17.834 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.316 -36.497 16.116 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.924 -34.839 16.335 1.00 0.00 H new ATOM 0 HD13 LEU A 56 7.797 -36.209 17.060 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.276 -37.726 18.037 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.751 -37.476 19.001 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.173 -36.953 19.637 1.00 0.00 H new ATOM 925 N TYR A 57 6.668 -32.313 21.052 1.00 0.00 N ATOM 926 CA TYR A 57 7.382 -31.438 21.976 1.00 0.00 C ATOM 927 C TYR A 57 6.641 -31.356 23.306 1.00 0.00 C ATOM 928 O TYR A 57 7.258 -31.294 24.369 1.00 0.00 O ATOM 929 CB TYR A 57 7.531 -30.034 21.357 1.00 0.00 C ATOM 930 CG TYR A 57 8.754 -29.982 20.458 1.00 0.00 C ATOM 931 CD1 TYR A 57 8.990 -31.000 19.521 1.00 0.00 C ATOM 932 CD2 TYR A 57 9.659 -28.917 20.570 1.00 0.00 C ATOM 933 CE1 TYR A 57 10.123 -30.949 18.701 1.00 0.00 C ATOM 934 CE2 TYR A 57 10.792 -28.870 19.749 1.00 0.00 C ATOM 935 CZ TYR A 57 11.023 -29.886 18.816 1.00 0.00 C ATOM 936 OH TYR A 57 12.141 -29.840 18.008 1.00 0.00 O ATOM 0 H TYR A 57 6.294 -31.841 20.229 1.00 0.00 H new ATOM 0 HA TYR A 57 8.374 -31.850 22.159 1.00 0.00 H new ATOM 0 HB2 TYR A 57 6.638 -29.785 20.783 1.00 0.00 H new ATOM 0 HB3 TYR A 57 7.620 -29.288 22.147 1.00 0.00 H new ATOM 0 HD1 TYR A 57 8.297 -31.823 19.433 1.00 0.00 H new ATOM 0 HD2 TYR A 57 9.482 -28.132 21.290 1.00 0.00 H new ATOM 0 HE1 TYR A 57 10.302 -31.732 17.979 1.00 0.00 H new ATOM 0 HE2 TYR A 57 11.488 -28.049 19.836 1.00 0.00 H new ATOM 0 HH TYR A 57 12.661 -29.036 18.215 1.00 0.00 H new ATOM 946 N GLU A 58 5.316 -31.357 23.240 1.00 0.00 N ATOM 947 CA GLU A 58 4.507 -31.284 24.450 1.00 0.00 C ATOM 948 C GLU A 58 4.751 -32.502 25.333 1.00 0.00 C ATOM 949 O GLU A 58 4.800 -32.391 26.556 1.00 0.00 O ATOM 950 CB GLU A 58 3.021 -31.190 24.084 1.00 0.00 C ATOM 951 CG GLU A 58 2.662 -29.744 23.730 1.00 0.00 C ATOM 952 CD GLU A 58 1.223 -29.679 23.238 1.00 0.00 C ATOM 953 OE1 GLU A 58 0.572 -30.711 23.238 1.00 0.00 O ATOM 954 OE2 GLU A 58 0.791 -28.601 22.867 1.00 0.00 O ATOM 0 H GLU A 58 4.783 -31.407 22.372 1.00 0.00 H new ATOM 0 HA GLU A 58 4.795 -30.391 25.005 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.803 -31.845 23.240 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.409 -31.532 24.919 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.787 -29.104 24.603 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.337 -29.369 22.960 1.00 0.00 H new ATOM 961 N GLU A 59 4.881 -33.665 24.713 1.00 0.00 N ATOM 962 CA GLU A 59 5.125 -34.897 25.457 1.00 0.00 C ATOM 963 C GLU A 59 6.626 -35.128 25.648 1.00 0.00 C ATOM 964 O GLU A 59 7.033 -35.973 26.445 1.00 0.00 O ATOM 965 CB GLU A 59 4.503 -36.088 24.715 1.00 0.00 C ATOM 966 CG GLU A 59 4.266 -37.239 25.697 1.00 0.00 C ATOM 967 CD GLU A 59 3.075 -36.911 26.594 1.00 0.00 C ATOM 968 OE1 GLU A 59 2.432 -35.905 26.345 1.00 0.00 O ATOM 969 OE2 GLU A 59 2.825 -37.670 27.516 1.00 0.00 O ATOM 0 H GLU A 59 4.822 -33.784 23.702 1.00 0.00 H new ATOM 0 HA GLU A 59 4.663 -34.803 26.440 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.561 -35.790 24.254 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.163 -36.413 23.911 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.079 -38.163 25.151 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.157 -37.402 26.304 1.00 0.00 H new ATOM 976 N SER A 60 7.445 -34.411 24.879 1.00 0.00 N ATOM 977 CA SER A 60 8.893 -34.599 24.953 1.00 0.00 C ATOM 978 C SER A 60 9.430 -34.385 26.368 1.00 0.00 C ATOM 979 O SER A 60 10.013 -35.293 26.959 1.00 0.00 O ATOM 980 CB SER A 60 9.584 -33.606 24.018 1.00 0.00 C ATOM 981 OG SER A 60 9.322 -33.958 22.665 1.00 0.00 O ATOM 0 H SER A 60 7.138 -33.706 24.209 1.00 0.00 H new ATOM 0 HA SER A 60 9.103 -35.627 24.658 1.00 0.00 H new ATOM 0 HB2 SER A 60 9.226 -32.596 24.217 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.658 -33.606 24.202 1.00 0.00 H new ATOM 0 HG SER A 60 8.499 -34.489 22.618 1.00 0.00 H new ATOM 987 N GLN A 61 9.234 -33.178 26.910 1.00 0.00 N ATOM 988 CA GLN A 61 9.711 -32.848 28.267 1.00 0.00 C ATOM 989 C GLN A 61 8.548 -32.665 29.239 1.00 0.00 C ATOM 990 O GLN A 61 8.602 -33.130 30.381 1.00 0.00 O ATOM 991 CB GLN A 61 10.577 -31.568 28.224 1.00 0.00 C ATOM 992 CG GLN A 61 11.940 -31.818 28.876 1.00 0.00 C ATOM 993 CD GLN A 61 12.761 -30.543 28.828 1.00 0.00 C ATOM 994 OE1 GLN A 61 12.614 -29.674 29.687 1.00 0.00 O ATOM 995 NE2 GLN A 61 13.615 -30.374 27.859 1.00 0.00 N ATOM 0 H GLN A 61 8.752 -32.414 26.437 1.00 0.00 H new ATOM 0 HA GLN A 61 10.315 -33.682 28.625 1.00 0.00 H new ATOM 0 HB2 GLN A 61 10.715 -31.250 27.191 1.00 0.00 H new ATOM 0 HB3 GLN A 61 10.064 -30.757 28.741 1.00 0.00 H new ATOM 0 HG2 GLN A 61 11.808 -32.140 29.909 1.00 0.00 H new ATOM 0 HG3 GLN A 61 12.463 -32.621 28.356 1.00 0.00 H new ATOM 0 HE21 GLN A 61 13.732 -31.098 27.150 1.00 0.00 H new ATOM 0 HE22 GLN A 61 14.167 -29.518 27.809 1.00 0.00 H new ATOM 1004 N PRO A 62 7.505 -32.011 28.813 1.00 0.00 N ATOM 1005 CA PRO A 62 6.313 -31.775 29.659 1.00 0.00 C ATOM 1006 C PRO A 62 5.182 -32.758 29.358 1.00 0.00 C ATOM 1007 O PRO A 62 4.104 -32.395 28.885 1.00 0.00 O ATOM 1008 CB PRO A 62 5.920 -30.350 29.242 1.00 0.00 C ATOM 1009 CG PRO A 62 6.378 -30.204 27.804 1.00 0.00 C ATOM 1010 CD PRO A 62 7.367 -31.360 27.510 1.00 0.00 C ATOM 0 HA PRO A 62 6.508 -31.903 30.724 1.00 0.00 H new ATOM 0 HB2 PRO A 62 4.844 -30.199 29.328 1.00 0.00 H new ATOM 0 HB3 PRO A 62 6.398 -29.609 29.883 1.00 0.00 H new ATOM 0 HG2 PRO A 62 5.527 -30.246 27.125 1.00 0.00 H new ATOM 0 HG3 PRO A 62 6.861 -29.239 27.652 1.00 0.00 H new ATOM 0 HD2 PRO A 62 6.977 -32.044 26.756 1.00 0.00 H new ATOM 0 HD3 PRO A 62 8.323 -30.990 27.140 1.00 0.00 H new ATOM 1018 N SER A 63 5.459 -34.021 29.693 1.00 0.00 N ATOM 1019 CA SER A 63 4.497 -35.102 29.528 1.00 0.00 C ATOM 1020 C SER A 63 3.611 -35.200 30.769 1.00 0.00 C ATOM 1021 O SER A 63 2.717 -36.042 30.841 1.00 0.00 O ATOM 1022 CB SER A 63 5.231 -36.428 29.316 1.00 0.00 C ATOM 1023 OG SER A 63 5.942 -36.769 30.501 1.00 0.00 O ATOM 0 H SER A 63 6.353 -34.317 30.084 1.00 0.00 H new ATOM 0 HA SER A 63 3.877 -34.893 28.656 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.519 -37.215 29.067 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.921 -36.344 28.476 1.00 0.00 H new ATOM 0 HG SER A 63 6.411 -37.619 30.368 1.00 0.00 H new ATOM 1029 N SER A 64 3.877 -34.336 31.751 1.00 0.00 N ATOM 1030 CA SER A 64 3.108 -34.339 32.993 1.00 0.00 C ATOM 1031 C SER A 64 1.731 -33.722 32.777 1.00 0.00 C ATOM 1032 O SER A 64 1.133 -33.184 33.706 1.00 0.00 O ATOM 1033 CB SER A 64 3.848 -33.557 34.079 1.00 0.00 C ATOM 1034 OG SER A 64 4.175 -32.264 33.587 1.00 0.00 O ATOM 0 H SER A 64 4.613 -33.631 31.710 1.00 0.00 H new ATOM 0 HA SER A 64 2.987 -35.375 33.311 1.00 0.00 H new ATOM 0 HB2 SER A 64 3.226 -33.473 34.970 1.00 0.00 H new ATOM 0 HB3 SER A 64 4.754 -34.087 34.371 1.00 0.00 H new ATOM 0 HG SER A 64 4.900 -31.883 34.125 1.00 0.00 H new ATOM 1040 N GLU A 65 1.241 -33.809 31.541 1.00 0.00 N ATOM 1041 CA GLU A 65 -0.072 -33.269 31.188 1.00 0.00 C ATOM 1042 C GLU A 65 -0.059 -31.744 31.289 1.00 0.00 C ATOM 1043 O GLU A 65 -1.042 -31.076 30.967 1.00 0.00 O ATOM 1044 CB GLU A 65 -1.140 -33.844 32.129 1.00 0.00 C ATOM 1045 CG GLU A 65 -2.537 -33.606 31.549 1.00 0.00 C ATOM 1046 CD GLU A 65 -3.588 -34.256 32.446 1.00 0.00 C ATOM 1047 OE1 GLU A 65 -3.241 -34.633 33.553 1.00 0.00 O ATOM 1048 OE2 GLU A 65 -4.723 -34.366 32.013 1.00 0.00 O ATOM 0 H GLU A 65 1.735 -34.250 30.765 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.306 -33.552 30.162 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -0.974 -34.912 32.271 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.061 -33.376 33.110 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.729 -32.536 31.465 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.598 -34.020 30.543 1.00 0.00 H new ATOM 1055 N ARG A 66 1.065 -31.200 31.736 1.00 0.00 N ATOM 1056 CA ARG A 66 1.205 -29.756 31.882 1.00 0.00 C ATOM 1057 C ARG A 66 1.083 -29.065 30.533 1.00 0.00 C ATOM 1058 O ARG A 66 0.774 -27.877 30.456 1.00 0.00 O ATOM 1059 CB ARG A 66 2.561 -29.431 32.517 1.00 0.00 C ATOM 1060 CG ARG A 66 2.567 -29.859 34.000 1.00 0.00 C ATOM 1061 CD ARG A 66 2.010 -28.732 34.878 1.00 0.00 C ATOM 1062 NE ARG A 66 2.929 -27.602 34.874 1.00 0.00 N ATOM 1063 CZ ARG A 66 2.634 -26.473 35.503 1.00 0.00 C ATOM 1064 NH1 ARG A 66 1.490 -26.351 36.118 1.00 0.00 N ATOM 1065 NH2 ARG A 66 3.486 -25.485 35.500 1.00 0.00 N ATOM 0 H ARG A 66 1.892 -31.735 32.003 1.00 0.00 H new ATOM 0 HA ARG A 66 0.406 -29.391 32.528 1.00 0.00 H new ATOM 0 HB2 ARG A 66 3.357 -29.946 31.978 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.762 -28.363 32.438 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.968 -30.760 34.129 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.582 -30.105 34.311 1.00 0.00 H new ATOM 0 HD2 ARG A 66 1.034 -28.419 34.508 1.00 0.00 H new ATOM 0 HD3 ARG A 66 1.865 -29.091 35.897 1.00 0.00 H new ATOM 0 HE ARG A 66 3.817 -27.681 34.378 1.00 0.00 H new ATOM 0 HH11 ARG A 66 0.824 -27.124 36.114 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.261 -25.483 36.602 1.00 0.00 H new ATOM 0 HH21 ARG A 66 4.378 -25.582 35.014 1.00 0.00 H new ATOM 0 HH22 ARG A 66 3.261 -24.616 35.983 1.00 0.00 H new ATOM 1079 N LEU A 67 1.321 -29.818 29.471 1.00 0.00 N ATOM 1080 CA LEU A 67 1.225 -29.273 28.128 1.00 0.00 C ATOM 1081 C LEU A 67 -0.068 -28.484 27.965 1.00 0.00 C ATOM 1082 O LEU A 67 -0.204 -27.678 27.044 1.00 0.00 O ATOM 1083 CB LEU A 67 1.274 -30.403 27.095 1.00 0.00 C ATOM 1084 CG LEU A 67 0.134 -31.427 27.358 1.00 0.00 C ATOM 1085 CD1 LEU A 67 -1.031 -31.190 26.385 1.00 0.00 C ATOM 1086 CD2 LEU A 67 0.656 -32.858 27.168 1.00 0.00 C ATOM 0 H LEU A 67 1.581 -30.803 29.513 1.00 0.00 H new ATOM 0 HA LEU A 67 2.070 -28.603 27.967 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.177 -29.991 26.091 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.240 -30.905 27.141 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.214 -31.295 28.382 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.822 -31.914 26.581 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.421 -30.181 26.523 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.678 -31.306 25.360 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.150 -33.567 27.355 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.018 -32.981 26.147 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.471 -33.044 27.867 1.00 0.00 H new ATOM 1098 N ASN A 68 -1.020 -28.727 28.862 1.00 0.00 N ATOM 1099 CA ASN A 68 -2.304 -28.039 28.804 1.00 0.00 C ATOM 1100 C ASN A 68 -2.089 -26.549 28.565 1.00 0.00 C ATOM 1101 O ASN A 68 -2.878 -25.901 27.879 1.00 0.00 O ATOM 1102 CB ASN A 68 -3.069 -28.248 30.114 1.00 0.00 C ATOM 1103 CG ASN A 68 -4.399 -27.503 30.068 1.00 0.00 C ATOM 1104 OD1 ASN A 68 -4.436 -26.319 29.732 1.00 0.00 O ATOM 1105 ND2 ASN A 68 -5.499 -28.130 30.384 1.00 0.00 N ATOM 0 H ASN A 68 -0.927 -29.390 29.632 1.00 0.00 H new ATOM 0 HA ASN A 68 -2.887 -28.451 27.980 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -3.244 -29.312 30.276 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -2.472 -27.892 30.954 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -6.393 -27.639 30.353 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -5.465 -29.111 30.662 1.00 0.00 H new ATOM 1112 N ALA A 69 -1.006 -26.018 29.119 1.00 0.00 N ATOM 1113 CA ALA A 69 -0.687 -24.608 28.939 1.00 0.00 C ATOM 1114 C ALA A 69 -0.374 -24.326 27.469 1.00 0.00 C ATOM 1115 O ALA A 69 -0.743 -23.281 26.934 1.00 0.00 O ATOM 1116 CB ALA A 69 0.514 -24.228 29.808 1.00 0.00 C ATOM 0 H ALA A 69 -0.340 -26.537 29.691 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.547 -24.010 29.240 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.745 -23.172 29.667 1.00 0.00 H new ATOM 0 HB2 ALA A 69 0.277 -24.411 30.856 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.376 -24.830 29.521 1.00 0.00 H new ATOM 1122 N PHE A 70 0.306 -25.275 26.825 1.00 0.00 N ATOM 1123 CA PHE A 70 0.665 -25.140 25.413 1.00 0.00 C ATOM 1124 C PHE A 70 -0.493 -25.589 24.531 1.00 0.00 C ATOM 1125 O PHE A 70 -0.551 -25.254 23.348 1.00 0.00 O ATOM 1126 CB PHE A 70 1.906 -25.983 25.108 1.00 0.00 C ATOM 1127 CG PHE A 70 3.121 -25.332 25.726 1.00 0.00 C ATOM 1128 CD1 PHE A 70 3.851 -24.383 25.001 1.00 0.00 C ATOM 1129 CD2 PHE A 70 3.516 -25.678 27.024 1.00 0.00 C ATOM 1130 CE1 PHE A 70 4.976 -23.778 25.574 1.00 0.00 C ATOM 1131 CE2 PHE A 70 4.642 -25.073 27.596 1.00 0.00 C ATOM 1132 CZ PHE A 70 5.372 -24.123 26.871 1.00 0.00 C ATOM 0 H PHE A 70 0.619 -26.144 27.258 1.00 0.00 H new ATOM 0 HA PHE A 70 0.883 -24.093 25.204 1.00 0.00 H new ATOM 0 HB2 PHE A 70 1.780 -26.991 25.503 1.00 0.00 H new ATOM 0 HB3 PHE A 70 2.039 -26.077 24.030 1.00 0.00 H new ATOM 0 HD1 PHE A 70 3.546 -24.117 23.999 1.00 0.00 H new ATOM 0 HD2 PHE A 70 2.953 -26.411 27.583 1.00 0.00 H new ATOM 0 HE1 PHE A 70 5.538 -23.045 25.015 1.00 0.00 H new ATOM 0 HE2 PHE A 70 4.948 -25.339 28.597 1.00 0.00 H new ATOM 0 HZ PHE A 70 6.240 -23.657 27.313 1.00 0.00 H new ATOM 1142 N ARG A 71 -1.417 -26.343 25.116 1.00 0.00 N ATOM 1143 CA ARG A 71 -2.575 -26.821 24.374 1.00 0.00 C ATOM 1144 C ARG A 71 -3.372 -25.642 23.839 1.00 0.00 C ATOM 1145 O ARG A 71 -3.863 -25.672 22.713 1.00 0.00 O ATOM 1146 CB ARG A 71 -3.461 -27.688 25.264 1.00 0.00 C ATOM 1147 CG ARG A 71 -4.645 -28.224 24.457 1.00 0.00 C ATOM 1148 CD ARG A 71 -5.463 -29.173 25.335 1.00 0.00 C ATOM 1149 NE ARG A 71 -4.693 -30.377 25.626 1.00 0.00 N ATOM 1150 CZ ARG A 71 -5.127 -31.276 26.503 1.00 0.00 C ATOM 1151 NH1 ARG A 71 -6.251 -31.080 27.137 1.00 0.00 N ATOM 1152 NH2 ARG A 71 -4.427 -32.354 26.734 1.00 0.00 N ATOM 0 H ARG A 71 -1.387 -26.634 26.093 1.00 0.00 H new ATOM 0 HA ARG A 71 -2.225 -27.426 23.537 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -2.882 -28.517 25.671 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -3.822 -27.105 26.111 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -5.269 -27.399 24.112 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -4.289 -28.747 23.569 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -5.738 -28.674 26.265 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -6.391 -29.439 24.829 1.00 0.00 H new ATOM 0 HE ARG A 71 -3.805 -30.532 25.148 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.796 -30.237 26.959 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -6.584 -31.770 27.810 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -3.547 -32.506 26.241 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -4.760 -33.044 27.407 1.00 0.00 H new ATOM 1166 N GLU A 72 -3.492 -24.593 24.648 1.00 0.00 N ATOM 1167 CA GLU A 72 -4.228 -23.409 24.224 1.00 0.00 C ATOM 1168 C GLU A 72 -3.821 -23.042 22.803 1.00 0.00 C ATOM 1169 O GLU A 72 -4.667 -22.766 21.952 1.00 0.00 O ATOM 1170 CB GLU A 72 -3.921 -22.245 25.165 1.00 0.00 C ATOM 1171 CG GLU A 72 -4.490 -22.555 26.550 1.00 0.00 C ATOM 1172 CD GLU A 72 -6.015 -22.545 26.502 1.00 0.00 C ATOM 1173 OE1 GLU A 72 -6.556 -21.943 25.591 1.00 0.00 O ATOM 1174 OE2 GLU A 72 -6.618 -23.144 27.378 1.00 0.00 O ATOM 0 H GLU A 72 -3.095 -24.539 25.586 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.297 -23.618 24.253 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.844 -22.087 25.228 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -4.356 -21.324 24.778 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.135 -23.528 26.888 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.136 -21.818 27.271 1.00 0.00 H new ATOM 1181 N LEU A 73 -2.518 -23.077 22.549 1.00 0.00 N ATOM 1182 CA LEU A 73 -2.003 -22.785 21.221 1.00 0.00 C ATOM 1183 C LEU A 73 -2.426 -23.880 20.246 1.00 0.00 C ATOM 1184 O LEU A 73 -2.765 -23.606 19.099 1.00 0.00 O ATOM 1185 CB LEU A 73 -0.470 -22.672 21.250 1.00 0.00 C ATOM 1186 CG LEU A 73 0.073 -22.442 19.826 1.00 0.00 C ATOM 1187 CD1 LEU A 73 -0.587 -21.202 19.198 1.00 0.00 C ATOM 1188 CD2 LEU A 73 1.596 -22.244 19.885 1.00 0.00 C ATOM 0 H LEU A 73 -1.804 -23.303 23.242 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.416 -21.832 20.890 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.171 -21.849 21.899 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.039 -23.581 21.669 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.159 -23.312 19.212 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.195 -21.051 18.192 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -1.666 -21.350 19.148 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.369 -20.325 19.808 1.00 0.00 H new ATOM 0 HD21 LEU A 73 1.981 -22.081 18.878 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.827 -21.378 20.506 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.062 -23.132 20.313 1.00 0.00 H new ATOM 1200 N ARG A 74 -2.399 -25.123 20.719 1.00 0.00 N ATOM 1201 CA ARG A 74 -2.771 -26.262 19.889 1.00 0.00 C ATOM 1202 C ARG A 74 -4.205 -26.113 19.420 1.00 0.00 C ATOM 1203 O ARG A 74 -4.543 -26.467 18.293 1.00 0.00 O ATOM 1204 CB ARG A 74 -2.606 -27.565 20.676 1.00 0.00 C ATOM 1205 CG ARG A 74 -2.903 -28.753 19.766 1.00 0.00 C ATOM 1206 CD ARG A 74 -2.665 -30.057 20.525 1.00 0.00 C ATOM 1207 NE ARG A 74 -3.624 -30.178 21.617 1.00 0.00 N ATOM 1208 CZ ARG A 74 -4.844 -30.665 21.411 1.00 0.00 C ATOM 1209 NH1 ARG A 74 -5.201 -31.042 20.213 1.00 0.00 N ATOM 1210 NH2 ARG A 74 -5.686 -30.760 22.403 1.00 0.00 N ATOM 0 H ARG A 74 -2.124 -25.366 21.671 1.00 0.00 H new ATOM 0 HA ARG A 74 -2.116 -26.294 19.019 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -1.592 -27.639 21.068 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.280 -27.572 21.532 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -3.935 -28.707 19.418 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -2.266 -28.714 18.882 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -2.763 -30.905 19.848 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -1.649 -30.079 20.918 1.00 0.00 H new ATOM 0 HE ARG A 74 -3.354 -29.884 22.556 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -4.544 -30.963 19.437 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -6.137 -31.416 20.054 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -5.409 -30.461 23.338 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -6.622 -31.134 22.244 1.00 0.00 H new ATOM 1224 N THR A 75 -5.042 -25.576 20.292 1.00 0.00 N ATOM 1225 CA THR A 75 -6.436 -25.370 19.957 1.00 0.00 C ATOM 1226 C THR A 75 -6.550 -24.447 18.749 1.00 0.00 C ATOM 1227 O THR A 75 -7.338 -24.696 17.837 1.00 0.00 O ATOM 1228 CB THR A 75 -7.166 -24.768 21.141 1.00 0.00 C ATOM 1229 OG1 THR A 75 -7.094 -25.658 22.246 1.00 0.00 O ATOM 1230 CG2 THR A 75 -8.625 -24.527 20.776 1.00 0.00 C ATOM 0 H THR A 75 -4.780 -25.277 21.231 1.00 0.00 H new ATOM 0 HA THR A 75 -6.889 -26.330 19.711 1.00 0.00 H new ATOM 0 HB THR A 75 -6.700 -23.820 21.407 1.00 0.00 H new ATOM 0 HG1 THR A 75 -7.565 -25.268 23.012 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.147 -24.094 21.629 1.00 0.00 H new ATOM 0 HG22 THR A 75 -8.680 -23.841 19.931 1.00 0.00 H new ATOM 0 HG23 THR A 75 -9.094 -25.473 20.506 1.00 0.00 H new ATOM 1238 N GLN A 76 -5.754 -23.382 18.747 1.00 0.00 N ATOM 1239 CA GLN A 76 -5.773 -22.432 17.642 1.00 0.00 C ATOM 1240 C GLN A 76 -5.375 -23.125 16.344 1.00 0.00 C ATOM 1241 O GLN A 76 -6.079 -23.034 15.337 1.00 0.00 O ATOM 1242 CB GLN A 76 -4.797 -21.289 17.928 1.00 0.00 C ATOM 1243 CG GLN A 76 -5.276 -20.496 19.144 1.00 0.00 C ATOM 1244 CD GLN A 76 -6.516 -19.684 18.786 1.00 0.00 C ATOM 1245 OE1 GLN A 76 -7.624 -20.219 18.754 1.00 0.00 O ATOM 1246 NE2 GLN A 76 -6.394 -18.415 18.514 1.00 0.00 N ATOM 0 H GLN A 76 -5.094 -23.157 19.491 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.783 -22.034 17.538 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -3.799 -21.687 18.111 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -4.724 -20.634 17.060 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.502 -21.176 19.965 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -4.484 -19.831 19.489 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -5.475 -17.974 18.541 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.218 -17.863 18.274 1.00 0.00 H new ATOM 1255 N LEU A 77 -4.251 -23.831 16.381 1.00 0.00 N ATOM 1256 CA LEU A 77 -3.776 -24.553 15.208 1.00 0.00 C ATOM 1257 C LEU A 77 -4.771 -25.639 14.827 1.00 0.00 C ATOM 1258 O LEU A 77 -5.059 -25.844 13.650 1.00 0.00 O ATOM 1259 CB LEU A 77 -2.396 -25.169 15.496 1.00 0.00 C ATOM 1260 CG LEU A 77 -1.282 -24.130 15.258 1.00 0.00 C ATOM 1261 CD1 LEU A 77 -1.118 -23.845 13.751 1.00 0.00 C ATOM 1262 CD2 LEU A 77 -1.621 -22.830 16.001 1.00 0.00 C ATOM 0 H LEU A 77 -3.656 -23.919 17.205 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.683 -23.857 14.374 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.357 -25.524 16.526 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.237 -26.036 14.854 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.343 -24.531 15.638 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.327 -23.109 13.604 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.857 -24.767 13.233 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.054 -23.456 13.350 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.832 -22.097 15.831 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.568 -22.436 15.631 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.704 -23.032 17.069 1.00 0.00 H new ATOM 1274 N GLU A 78 -5.295 -26.326 15.829 1.00 0.00 N ATOM 1275 CA GLU A 78 -6.258 -27.383 15.581 1.00 0.00 C ATOM 1276 C GLU A 78 -7.506 -26.807 14.925 1.00 0.00 C ATOM 1277 O GLU A 78 -8.024 -27.363 13.957 1.00 0.00 O ATOM 1278 CB GLU A 78 -6.632 -28.055 16.904 1.00 0.00 C ATOM 1279 CG GLU A 78 -7.587 -29.219 16.640 1.00 0.00 C ATOM 1280 CD GLU A 78 -7.927 -29.921 17.950 1.00 0.00 C ATOM 1281 OE1 GLU A 78 -7.638 -29.358 18.993 1.00 0.00 O ATOM 1282 OE2 GLU A 78 -8.474 -31.009 17.891 1.00 0.00 O ATOM 0 H GLU A 78 -5.072 -26.172 16.812 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.815 -28.121 14.912 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.734 -28.416 17.406 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.101 -27.331 17.570 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -8.498 -28.853 16.167 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -7.130 -29.925 15.947 1.00 0.00 H new ATOM 1289 N LYS A 79 -7.979 -25.684 15.453 1.00 0.00 N ATOM 1290 CA LYS A 79 -9.159 -25.035 14.908 1.00 0.00 C ATOM 1291 C LYS A 79 -8.852 -24.461 13.535 1.00 0.00 C ATOM 1292 O LYS A 79 -9.645 -24.586 12.602 1.00 0.00 O ATOM 1293 CB LYS A 79 -9.618 -23.919 15.847 1.00 0.00 C ATOM 1294 CG LYS A 79 -10.951 -23.351 15.351 1.00 0.00 C ATOM 1295 CD LYS A 79 -11.427 -22.224 16.278 1.00 0.00 C ATOM 1296 CE LYS A 79 -12.027 -22.801 17.567 1.00 0.00 C ATOM 1297 NZ LYS A 79 -12.682 -21.704 18.336 1.00 0.00 N ATOM 0 H LYS A 79 -7.564 -25.208 16.254 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.956 -25.773 14.812 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.729 -24.305 16.860 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.867 -23.130 15.887 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -10.837 -22.972 14.335 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -11.700 -24.142 15.314 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -10.591 -21.569 16.522 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -12.171 -21.614 15.765 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.753 -23.578 17.328 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.247 -23.268 18.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -13.091 -22.090 19.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -11.977 -20.978 18.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.436 -21.279 17.760 1.00 0.00 H new ATOM 1311 N ALA A 80 -7.689 -23.831 13.421 1.00 0.00 N ATOM 1312 CA ALA A 80 -7.279 -23.240 12.159 1.00 0.00 C ATOM 1313 C ALA A 80 -7.088 -24.324 11.110 1.00 0.00 C ATOM 1314 O ALA A 80 -7.141 -24.059 9.910 1.00 0.00 O ATOM 1315 CB ALA A 80 -5.972 -22.461 12.330 1.00 0.00 C ATOM 0 H ALA A 80 -7.020 -23.718 14.182 1.00 0.00 H new ATOM 0 HA ALA A 80 -8.061 -22.554 11.833 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -5.680 -22.025 11.374 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -6.115 -21.666 13.062 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -5.189 -23.136 12.675 1.00 0.00 H new ATOM 1321 N LEU A 81 -6.853 -25.548 11.573 1.00 0.00 N ATOM 1322 CA LEU A 81 -6.641 -26.666 10.664 1.00 0.00 C ATOM 1323 C LEU A 81 -7.895 -26.896 9.832 1.00 0.00 C ATOM 1324 O LEU A 81 -7.818 -27.165 8.634 1.00 0.00 O ATOM 1325 CB LEU A 81 -6.289 -27.937 11.462 1.00 0.00 C ATOM 1326 CG LEU A 81 -5.332 -28.837 10.655 1.00 0.00 C ATOM 1327 CD1 LEU A 81 -5.933 -29.128 9.270 1.00 0.00 C ATOM 1328 CD2 LEU A 81 -3.954 -28.145 10.505 1.00 0.00 C ATOM 0 H LEU A 81 -6.805 -25.788 12.563 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.811 -26.433 9.997 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.826 -27.661 12.409 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.199 -28.487 11.701 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.195 -29.779 11.186 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.252 -29.764 8.704 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.890 -29.636 9.388 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -6.083 -28.191 8.734 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.284 -28.788 9.934 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.078 -27.196 9.984 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.529 -27.964 11.492 1.00 0.00 H new ATOM 1340 N GLY A 82 -9.053 -26.782 10.475 1.00 0.00 N ATOM 1341 CA GLY A 82 -10.316 -26.976 9.780 1.00 0.00 C ATOM 1342 C GLY A 82 -10.514 -25.901 8.717 1.00 0.00 C ATOM 1343 O GLY A 82 -11.588 -25.795 8.124 1.00 0.00 O ATOM 0 H GLY A 82 -9.141 -26.558 11.466 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.334 -27.962 9.316 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -11.139 -26.945 10.494 1.00 0.00 H new ATOM 1347 N LEU A 83 -9.466 -25.112 8.476 1.00 0.00 N ATOM 1348 CA LEU A 83 -9.519 -24.053 7.475 1.00 0.00 C ATOM 1349 C LEU A 83 -10.609 -23.047 7.820 1.00 0.00 C ATOM 1350 O LEU A 83 -11.394 -22.644 6.961 1.00 0.00 O ATOM 1351 CB LEU A 83 -9.782 -24.658 6.094 1.00 0.00 C ATOM 1352 CG LEU A 83 -8.743 -25.752 5.804 1.00 0.00 C ATOM 1353 CD1 LEU A 83 -9.060 -26.405 4.456 1.00 0.00 C ATOM 1354 CD2 LEU A 83 -7.330 -25.143 5.764 1.00 0.00 C ATOM 0 H LEU A 83 -8.572 -25.188 8.961 1.00 0.00 H new ATOM 0 HA LEU A 83 -8.561 -23.534 7.463 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -10.787 -25.078 6.055 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -9.731 -23.882 5.330 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.781 -26.502 6.594 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -8.325 -27.182 4.246 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -10.056 -26.847 4.491 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -9.025 -25.651 3.669 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -6.602 -25.927 5.558 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -7.282 -24.387 4.980 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -7.105 -24.683 6.726 1.00 0.00 H new ATOM 1366 N GLU A 84 -10.651 -22.643 9.084 1.00 0.00 N ATOM 1367 CA GLU A 84 -11.648 -21.681 9.532 1.00 0.00 C ATOM 1368 C GLU A 84 -11.419 -20.334 8.855 1.00 0.00 C ATOM 1369 O GLU A 84 -10.278 -19.916 8.653 1.00 0.00 O ATOM 1370 CB GLU A 84 -11.571 -21.511 11.052 1.00 0.00 C ATOM 1371 CG GLU A 84 -12.715 -20.609 11.521 1.00 0.00 C ATOM 1372 CD GLU A 84 -12.657 -20.441 13.036 1.00 0.00 C ATOM 1373 OE1 GLU A 84 -11.653 -20.820 13.616 1.00 0.00 O ATOM 1374 OE2 GLU A 84 -13.616 -19.933 13.593 1.00 0.00 O ATOM 0 H GLU A 84 -10.012 -22.964 9.811 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.636 -22.054 9.263 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.635 -22.483 11.541 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -10.612 -21.076 11.332 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.644 -19.636 11.036 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.673 -21.041 11.231 1.00 0.00 H new ATOM 1381 N HIS A 85 -12.509 -19.660 8.505 1.00 0.00 N ATOM 1382 CA HIS A 85 -12.414 -18.361 7.849 1.00 0.00 C ATOM 1383 C HIS A 85 -11.405 -18.408 6.706 1.00 0.00 C ATOM 1384 O HIS A 85 -10.232 -18.079 6.886 1.00 0.00 O ATOM 1385 CB HIS A 85 -11.992 -17.295 8.862 1.00 0.00 C ATOM 1386 CG HIS A 85 -12.062 -15.936 8.219 1.00 0.00 C ATOM 1387 ND1 HIS A 85 -10.931 -15.264 7.785 1.00 0.00 N ATOM 1388 CD2 HIS A 85 -13.121 -15.110 7.932 1.00 0.00 C ATOM 1389 CE1 HIS A 85 -11.330 -14.089 7.266 1.00 0.00 C ATOM 1390 NE2 HIS A 85 -12.656 -13.945 7.330 1.00 0.00 N ATOM 0 H HIS A 85 -13.462 -19.988 8.663 1.00 0.00 H new ATOM 0 HA HIS A 85 -13.393 -18.109 7.442 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -12.643 -17.330 9.735 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -10.979 -17.492 9.212 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -14.157 -15.331 8.142 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -10.660 -13.352 6.849 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -13.209 -13.151 7.007 1.00 0.00 H new ATOM 1398 N HIS A 86 -11.871 -18.819 5.531 1.00 0.00 N ATOM 1399 CA HIS A 86 -11.005 -18.906 4.361 1.00 0.00 C ATOM 1400 C HIS A 86 -10.641 -17.512 3.860 1.00 0.00 C ATOM 1401 O HIS A 86 -11.439 -16.579 3.959 1.00 0.00 O ATOM 1402 CB HIS A 86 -11.709 -19.685 3.247 1.00 0.00 C ATOM 1403 CG HIS A 86 -12.930 -18.929 2.798 1.00 0.00 C ATOM 1404 ND1 HIS A 86 -14.122 -18.963 3.505 1.00 0.00 N ATOM 1405 CD2 HIS A 86 -13.160 -18.118 1.714 1.00 0.00 C ATOM 1406 CE1 HIS A 86 -15.007 -18.194 2.845 1.00 0.00 C ATOM 1407 NE2 HIS A 86 -14.472 -17.654 1.747 1.00 0.00 N ATOM 0 H HIS A 86 -12.838 -19.096 5.364 1.00 0.00 H new ATOM 0 HA HIS A 86 -10.091 -19.427 4.646 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -11.030 -19.832 2.407 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -11.993 -20.675 3.605 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -12.434 -17.877 0.952 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -16.026 -18.033 3.164 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -14.927 -17.035 1.076 1.00 0.00 H new ATOM 1415 N HIS A 87 -9.432 -17.375 3.326 1.00 0.00 N ATOM 1416 CA HIS A 87 -8.976 -16.087 2.817 1.00 0.00 C ATOM 1417 C HIS A 87 -9.756 -15.698 1.563 1.00 0.00 C ATOM 1418 O HIS A 87 -10.032 -16.538 0.706 1.00 0.00 O ATOM 1419 CB HIS A 87 -7.479 -16.152 2.494 1.00 0.00 C ATOM 1420 CG HIS A 87 -7.254 -17.058 1.312 1.00 0.00 C ATOM 1421 ND1 HIS A 87 -6.926 -16.569 0.056 1.00 0.00 N ATOM 1422 CD2 HIS A 87 -7.313 -18.423 1.180 1.00 0.00 C ATOM 1423 CE1 HIS A 87 -6.802 -17.625 -0.769 1.00 0.00 C ATOM 1424 NE2 HIS A 87 -7.027 -18.779 -0.135 1.00 0.00 N ATOM 0 H HIS A 87 -8.755 -18.133 3.235 1.00 0.00 H new ATOM 0 HA HIS A 87 -9.148 -15.333 3.585 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -7.100 -15.153 2.276 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -6.926 -16.521 3.358 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -7.546 -19.115 1.975 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -6.551 -17.549 -1.817 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -6.996 -19.719 -0.530 1.00 0.00 H new ATOM 1432 N HIS A 88 -10.106 -14.420 1.463 1.00 0.00 N ATOM 1433 CA HIS A 88 -10.851 -13.929 0.310 1.00 0.00 C ATOM 1434 C HIS A 88 -10.004 -14.030 -0.958 1.00 0.00 C ATOM 1435 O HIS A 88 -10.043 -15.042 -1.659 1.00 0.00 O ATOM 1436 CB HIS A 88 -11.267 -12.475 0.539 1.00 0.00 C ATOM 1437 CG HIS A 88 -11.990 -11.963 -0.677 1.00 0.00 C ATOM 1438 ND1 HIS A 88 -13.272 -12.376 -1.002 1.00 0.00 N ATOM 1439 CD2 HIS A 88 -11.622 -11.073 -1.655 1.00 0.00 C ATOM 1440 CE1 HIS A 88 -13.627 -11.741 -2.134 1.00 0.00 C ATOM 1441 NE2 HIS A 88 -12.658 -10.934 -2.574 1.00 0.00 N ATOM 0 H HIS A 88 -9.887 -13.710 2.162 1.00 0.00 H new ATOM 0 HA HIS A 88 -11.742 -14.544 0.185 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -11.911 -12.404 1.415 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -10.389 -11.861 0.738 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -10.673 -10.559 -1.704 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -14.580 -11.868 -2.627 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -12.674 -10.343 -3.405 1.00 0.00 H new ATOM 1449 N HIS A 89 -9.238 -12.976 -1.240 1.00 0.00 N ATOM 1450 CA HIS A 89 -8.379 -12.943 -2.424 1.00 0.00 C ATOM 1451 C HIS A 89 -9.082 -13.560 -3.636 1.00 0.00 C ATOM 1452 O HIS A 89 -10.291 -13.787 -3.616 1.00 0.00 O ATOM 1453 CB HIS A 89 -7.069 -13.684 -2.144 1.00 0.00 C ATOM 1454 CG HIS A 89 -6.265 -12.910 -1.134 1.00 0.00 C ATOM 1455 ND1 HIS A 89 -5.906 -11.586 -1.333 1.00 0.00 N ATOM 1456 CD2 HIS A 89 -5.738 -13.259 0.087 1.00 0.00 C ATOM 1457 CE1 HIS A 89 -5.197 -11.189 -0.261 1.00 0.00 C ATOM 1458 NE2 HIS A 89 -5.064 -12.171 0.635 1.00 0.00 N ATOM 0 H HIS A 89 -9.195 -12.134 -0.665 1.00 0.00 H new ATOM 0 HA HIS A 89 -8.161 -11.900 -2.654 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -7.278 -14.686 -1.769 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -6.500 -13.801 -3.066 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -5.833 -14.230 0.551 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -4.786 -10.198 -0.140 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -4.574 -12.132 1.529 1.00 0.00 H new ATOM 1466 N HIS A 90 -8.317 -13.816 -4.697 1.00 0.00 N ATOM 1467 CA HIS A 90 -8.886 -14.394 -5.912 1.00 0.00 C ATOM 1468 C HIS A 90 -9.508 -15.755 -5.614 1.00 0.00 C ATOM 1469 O HIS A 90 -8.757 -16.696 -5.416 1.00 0.00 O ATOM 1470 CB HIS A 90 -7.804 -14.553 -6.985 1.00 0.00 C ATOM 1471 CG HIS A 90 -7.273 -13.201 -7.382 1.00 0.00 C ATOM 1472 ND1 HIS A 90 -6.156 -13.053 -8.189 1.00 0.00 N ATOM 1473 CD2 HIS A 90 -7.697 -11.927 -7.091 1.00 0.00 C ATOM 1474 CE1 HIS A 90 -5.947 -11.733 -8.354 1.00 0.00 C ATOM 1475 NE2 HIS A 90 -6.857 -11.003 -7.707 1.00 0.00 N ATOM 1476 OXT HIS A 90 -10.724 -15.835 -5.589 1.00 0.00 O ATOM 0 H HIS A 90 -7.314 -13.635 -4.740 1.00 0.00 H new ATOM 0 HA HIS A 90 -9.659 -13.719 -6.279 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -6.993 -15.175 -6.606 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -8.216 -15.062 -7.857 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -8.551 -11.680 -6.478 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -5.141 -11.316 -8.939 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -6.923 -9.986 -7.671 1.00 0.00 H new TER 1484 HIS A 90