USER MOD reduce.3.24.130724 H: found=0, std=0, add=1436, rem=0, adj=48 USER MOD reduce.3.24.130724 removed 1436 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: B 64 SER OG : rot -116:sc= -0.651 USER MOD Set 1.2: B 75 TYR OH : rot -16:sc= 1.69 USER MOD Set 2.1: B 43 LYS NZ :NH3+ 162:sc= -0.807! (180deg=-1.81!) USER MOD Set 2.2: B 53 THR OG1 : rot 48:sc= -3.9! USER MOD Set 3.1: B 2 CYS SG : rot 149:sc= -0.775 USER MOD Set 3.2: B 19 GLN : amide:sc= -0.7 X(o=-1.5,f=-1.4) USER MOD Set 4.1: B 13 MET CE :methyl 155:sc= -0.0519 (180deg=-0.727) USER MOD Set 4.2: B 21 SER OG : rot 30:sc= -4.51! USER MOD Set 5.1: A 65 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: B 44 LYS NZ :NH3+ -152:sc= -0.0758 (180deg=-0.423) USER MOD Set 6.1: A 55 HIS : no HE2:sc= -14.3! C(o=-40!,f=-36!) USER MOD Set 6.2: A 88 SER OG : rot 155:sc= -1.2! USER MOD Set 6.3: B 55 HIS : no HD1:sc= -22.9! C(o=-40!,f=-38!) USER MOD Set 6.4: B 88 SER OG : rot -163:sc= -1.79! USER MOD Set 7.1: A 53 THR OG1 : rot 100:sc= 1.06 USER MOD Set 7.2: B 67 THR OG1 : rot 148:sc= 1.22 USER MOD Set 8.1: A 51 ASN : amide:sc= -2.84! C(o=-9.2!,f=-13!) USER MOD Set 8.2: A 72 HIS : no HE2:sc= -4.4! C(o=-9.2!,f=-12!) USER MOD Set 8.3: A 87 LYS NZ :NH3+ 162:sc= -1.98 (180deg=-0.0085) USER MOD Set 9.1: A 24 CYS SG : rot 158:sc= -0.841 USER MOD Set 9.2: A 50 TYR OH : rot 0:sc= -0.863 USER MOD Set10.1: A 32 TYR OH : rot 180:sc= 0.654 USER MOD Set10.2: A 41 HIS : no HE2:sc= -14! C(o=-13!,f=-20!) USER MOD Set11.1: A 13 MET CE :methyl 168:sc= -0.2 (180deg=-0.44) USER MOD Set11.2: A 17 MET CE :methyl 154:sc= -19.9! (180deg=-22.8!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 CYS SG : rot -29:sc= 0.658 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.412 X(o=-0.41,f=-0.11) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -14.3! C(o=-14!,f=-14!) USER MOD Single : A 19 GLN : amide:sc= -2.16! K(o=-2.2!,f=-0.53) USER MOD Single : A 21 SER OG : rot -85:sc= -6.57! USER MOD Single : A 26 THR OG1 : rot 71:sc= -2.42! USER MOD Single : A 27 GLN : amide:sc= -2.83! C(o=-2.8!,f=-7.2!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 179:sc= 0.0244 (180deg=0.024) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 CYS SG : rot -68:sc= -1.1 USER MOD Single : A 61 ASN : amide:sc= -2.67! C(o=-2.7!,f=-9.1!) USER MOD Single : A 64 SER OG : rot -133:sc= 0.228 USER MOD Single : A 67 THR OG1 : rot 140:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -5.25! C(o=-5.2!,f=-7.4!) USER MOD Single : A 70 THR OG1 : rot -59:sc= 0.992 USER MOD Single : A 71 LYS NZ :NH3+ 149:sc= -0.164 (180deg=-1.3!) USER MOD Single : A 75 TYR OH : rot -16:sc= 1.41 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -0.858 K(o=-0.86,f=-0.04) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 ASN : amide:sc= -3.8! K(o=-3.8!,f=-0.91) USER MOD Single : B 14 SER OG : rot 180:sc= 0.0874 USER MOD Single : B 17 MET CE :methyl 155:sc= -16.9! (180deg=-19.9!) USER MOD Single : B 18 GLN : amide:sc= -24.1! C(o=-24!,f=-18!) USER MOD Single : B 24 CYS SG : rot 74:sc= 0.74 USER MOD Single : B 26 THR OG1 : rot 64:sc= 0.314 USER MOD Single : B 27 GLN : amide:sc= -1.81! K(o=-1.8!,f=-0.029) USER MOD Single : B 31 LYS NZ :NH3+ -165:sc=-0.00699 (180deg=-0.196) USER MOD Single : B 32 TYR OH : rot 180:sc= 0 USER MOD Single : B 33 ASN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : B 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 41 HIS : no HE2:sc= -22.4! C(o=-22!,f=-25!) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 TYR OH : rot 80:sc= -0.206 USER MOD Single : B 51 ASN : amide:sc= -0.0547 K(o=-0.055,f=-0.57) USER MOD Single : B 56 CYS SG : rot 163:sc= -4.03! USER MOD Single : B 61 ASN : amide:sc= -2.8! K(o=-2.8!,f=-0.51) USER MOD Single : B 65 TYR OH : rot 180:sc= 0 USER MOD Single : B 68 HIS : no HD1:sc= -8.78! C(o=-8.8!,f=-9.4!) USER MOD Single : B 70 THR OG1 : rot -45:sc= -0.254! USER MOD Single : B 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 72 HIS : no HE2:sc= 0.284 K(o=0.28,f=-6.2!) USER MOD Single : B 77 TYR OH : rot 180:sc= -1.73! USER MOD Single : B 80 GLN : amide:sc= -1.48! K(o=-1.5!,f=-0.033) USER MOD Single : B 87 LYS NZ :NH3+ -164:sc= 0.899 (180deg=0.647) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -26.723 0.837 8.909 1.00 0.00 N ATOM 2 CA MET A 1 -26.064 0.280 7.698 1.00 0.00 C ATOM 3 C MET A 1 -25.563 1.390 6.782 1.00 0.00 C ATOM 4 O MET A 1 -25.978 1.490 5.627 1.00 0.00 O ATOM 5 CB MET A 1 -27.072 -0.599 6.957 1.00 0.00 C ATOM 6 CG MET A 1 -26.497 -1.928 6.498 1.00 0.00 C ATOM 7 SD MET A 1 -27.112 -2.429 4.880 1.00 0.00 S ATOM 8 CE MET A 1 -26.083 -3.859 4.558 1.00 0.00 C ATOM 0 H1 MET A 1 -27.054 0.058 9.514 1.00 0.00 H new ATOM 0 H2 MET A 1 -26.043 1.420 9.437 1.00 0.00 H new ATOM 0 H3 MET A 1 -27.534 1.423 8.625 1.00 0.00 H new ATOM 0 HA MET A 1 -25.199 -0.310 8.001 1.00 0.00 H new ATOM 0 HB2 MET A 1 -27.925 -0.787 7.608 1.00 0.00 H new ATOM 0 HB3 MET A 1 -27.447 -0.056 6.090 1.00 0.00 H new ATOM 0 HG2 MET A 1 -25.410 -1.856 6.463 1.00 0.00 H new ATOM 0 HG3 MET A 1 -26.742 -2.698 7.230 1.00 0.00 H new ATOM 0 HE1 MET A 1 -26.344 -4.284 3.589 1.00 0.00 H new ATOM 0 HE2 MET A 1 -25.035 -3.559 4.553 1.00 0.00 H new ATOM 0 HE3 MET A 1 -26.243 -4.605 5.336 1.00 0.00 H new ATOM 20 N CYS A 2 -24.667 2.222 7.301 1.00 0.00 N ATOM 21 CA CYS A 2 -24.110 3.324 6.526 1.00 0.00 C ATOM 22 C CYS A 2 -22.596 3.396 6.690 1.00 0.00 C ATOM 23 O CYS A 2 -22.082 3.386 7.808 1.00 0.00 O ATOM 24 CB CYS A 2 -24.743 4.649 6.954 1.00 0.00 C ATOM 25 SG CYS A 2 -23.582 5.810 7.712 1.00 0.00 S ATOM 0 H CYS A 2 -24.311 2.154 8.255 1.00 0.00 H new ATOM 0 HA CYS A 2 -24.335 3.144 5.475 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -25.196 5.121 6.082 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -25.548 4.444 7.660 1.00 0.00 H new ATOM 0 HG CYS A 2 -22.630 5.149 8.302 1.00 0.00 H new ATOM 31 N ASP A 3 -21.888 3.468 5.568 1.00 0.00 N ATOM 32 CA ASP A 3 -20.433 3.543 5.586 1.00 0.00 C ATOM 33 C ASP A 3 -19.966 4.988 5.737 1.00 0.00 C ATOM 34 O ASP A 3 -20.494 5.738 6.559 1.00 0.00 O ATOM 35 CB ASP A 3 -19.853 2.935 4.306 1.00 0.00 C ATOM 36 CG ASP A 3 -20.921 2.318 3.424 1.00 0.00 C ATOM 37 OD1 ASP A 3 -21.508 1.294 3.831 1.00 0.00 O ATOM 38 OD2 ASP A 3 -21.170 2.859 2.326 1.00 0.00 O ATOM 0 H ASP A 3 -22.299 3.476 4.635 1.00 0.00 H new ATOM 0 HA ASP A 3 -20.074 2.973 6.443 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -19.325 3.708 3.747 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -19.118 2.174 4.569 1.00 0.00 H new ATOM 43 N ARG A 4 -18.974 5.373 4.941 1.00 0.00 N ATOM 44 CA ARG A 4 -18.437 6.727 4.989 1.00 0.00 C ATOM 45 C ARG A 4 -18.067 7.115 6.416 1.00 0.00 C ATOM 46 O ARG A 4 -17.797 8.281 6.703 1.00 0.00 O ATOM 47 CB ARG A 4 -19.452 7.722 4.423 1.00 0.00 C ATOM 48 CG ARG A 4 -18.905 9.133 4.277 1.00 0.00 C ATOM 49 CD ARG A 4 -19.810 9.999 3.417 1.00 0.00 C ATOM 50 NE ARG A 4 -20.052 11.306 4.020 1.00 0.00 N ATOM 51 CZ ARG A 4 -21.242 11.897 4.044 1.00 0.00 C ATOM 52 NH1 ARG A 4 -22.293 11.297 3.501 1.00 0.00 N ATOM 53 NH2 ARG A 4 -21.382 13.086 4.613 1.00 0.00 N ATOM 0 H ARG A 4 -18.526 4.766 4.255 1.00 0.00 H new ATOM 0 HA ARG A 4 -17.534 6.755 4.379 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -19.789 7.369 3.448 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -20.326 7.746 5.073 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -18.797 9.586 5.263 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -17.910 9.094 3.834 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -19.358 10.132 2.434 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -20.761 9.489 3.264 1.00 0.00 H new ATOM 0 HE ARG A 4 -19.264 11.793 4.447 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -22.188 10.381 3.064 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -23.206 11.752 3.520 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -20.576 13.548 5.033 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -22.296 13.538 4.631 1.00 0.00 H new ATOM 67 N LYS A 5 -18.060 6.131 7.308 1.00 0.00 N ATOM 68 CA LYS A 5 -17.726 6.369 8.708 1.00 0.00 C ATOM 69 C LYS A 5 -16.225 6.582 8.885 1.00 0.00 C ATOM 70 O LYS A 5 -15.617 6.056 9.816 1.00 0.00 O ATOM 71 CB LYS A 5 -18.198 5.196 9.572 1.00 0.00 C ATOM 72 CG LYS A 5 -17.821 5.328 11.039 1.00 0.00 C ATOM 73 CD LYS A 5 -18.860 6.119 11.814 1.00 0.00 C ATOM 74 CE LYS A 5 -18.752 5.864 13.308 1.00 0.00 C ATOM 75 NZ LYS A 5 -17.630 6.628 13.923 1.00 0.00 N ATOM 0 H LYS A 5 -18.282 5.160 7.087 1.00 0.00 H new ATOM 0 HA LYS A 5 -18.239 7.276 9.029 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -19.281 5.109 9.491 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -17.774 4.272 9.178 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -17.715 4.336 11.479 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -16.852 5.819 11.123 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -18.732 7.183 11.615 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -19.858 5.848 11.469 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -19.688 6.141 13.792 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -18.605 4.798 13.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -17.590 6.426 14.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -16.733 6.345 13.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -17.782 7.646 13.777 1.00 0.00 H new ATOM 89 N ALA A 6 -15.630 7.359 7.985 1.00 0.00 N ATOM 90 CA ALA A 6 -14.202 7.640 8.048 1.00 0.00 C ATOM 91 C ALA A 6 -13.941 9.091 8.429 1.00 0.00 C ATOM 92 O ALA A 6 -14.861 9.828 8.782 1.00 0.00 O ATOM 93 CB ALA A 6 -13.540 7.321 6.717 1.00 0.00 C ATOM 0 H ALA A 6 -16.114 7.804 7.205 1.00 0.00 H new ATOM 0 HA ALA A 6 -13.770 7.004 8.821 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -12.473 7.536 6.780 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -13.684 6.266 6.483 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -13.987 7.931 5.933 1.00 0.00 H new ATOM 99 N VAL A 7 -12.678 9.491 8.353 1.00 0.00 N ATOM 100 CA VAL A 7 -12.283 10.853 8.686 1.00 0.00 C ATOM 101 C VAL A 7 -11.229 11.363 7.711 1.00 0.00 C ATOM 102 O VAL A 7 -10.041 11.406 8.032 1.00 0.00 O ATOM 103 CB VAL A 7 -11.727 10.945 10.119 1.00 0.00 C ATOM 104 CG1 VAL A 7 -11.248 12.356 10.417 1.00 0.00 C ATOM 105 CG2 VAL A 7 -12.777 10.505 11.129 1.00 0.00 C ATOM 0 H VAL A 7 -11.908 8.889 8.063 1.00 0.00 H new ATOM 0 HA VAL A 7 -13.178 11.472 8.615 1.00 0.00 H new ATOM 0 HB VAL A 7 -10.873 10.272 10.201 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -10.859 12.401 11.434 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -10.460 12.629 9.715 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -12.081 13.052 10.316 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -12.366 10.577 12.136 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -13.652 11.149 11.048 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -13.066 9.473 10.928 1.00 0.00 H new ATOM 115 N ILE A 8 -11.669 11.744 6.517 1.00 0.00 N ATOM 116 CA ILE A 8 -10.761 12.245 5.495 1.00 0.00 C ATOM 117 C ILE A 8 -9.738 13.204 6.100 1.00 0.00 C ATOM 118 O ILE A 8 -10.017 13.895 7.080 1.00 0.00 O ATOM 119 CB ILE A 8 -11.545 12.931 4.336 1.00 0.00 C ATOM 120 CG1 ILE A 8 -11.702 11.954 3.171 1.00 0.00 C ATOM 121 CG2 ILE A 8 -10.866 14.214 3.856 1.00 0.00 C ATOM 122 CD1 ILE A 8 -12.849 10.982 3.347 1.00 0.00 C ATOM 0 H ILE A 8 -12.649 11.715 6.234 1.00 0.00 H new ATOM 0 HA ILE A 8 -10.224 11.393 5.078 1.00 0.00 H new ATOM 0 HB ILE A 8 -12.525 13.210 4.722 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -11.853 12.519 2.251 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -10.776 11.392 3.051 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -11.450 14.655 3.048 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -10.799 14.921 4.683 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -9.864 13.982 3.495 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -12.900 10.320 2.483 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -12.690 10.391 4.249 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -13.784 11.535 3.436 1.00 0.00 H new ATOM 134 N LYS A 9 -8.556 13.238 5.499 1.00 0.00 N ATOM 135 CA LYS A 9 -7.482 14.111 5.962 1.00 0.00 C ATOM 136 C LYS A 9 -6.783 14.764 4.777 1.00 0.00 C ATOM 137 O LYS A 9 -6.025 15.720 4.935 1.00 0.00 O ATOM 138 CB LYS A 9 -6.471 13.321 6.797 1.00 0.00 C ATOM 139 CG LYS A 9 -7.105 12.267 7.689 1.00 0.00 C ATOM 140 CD LYS A 9 -6.979 12.635 9.159 1.00 0.00 C ATOM 141 CE LYS A 9 -7.669 11.616 10.052 1.00 0.00 C ATOM 142 NZ LYS A 9 -6.842 11.267 11.241 1.00 0.00 N ATOM 0 H LYS A 9 -8.315 12.670 4.687 1.00 0.00 H new ATOM 0 HA LYS A 9 -7.918 14.890 6.587 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.760 12.837 6.128 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -5.904 14.015 7.417 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.158 12.154 7.430 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.628 11.303 7.512 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -5.925 12.702 9.429 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.414 13.620 9.327 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -8.629 12.014 10.382 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -7.878 10.713 9.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.348 10.570 11.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.936 10.864 10.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.663 12.124 11.803 1.00 0.00 H new ATOM 156 N ASN A 10 -7.048 14.236 3.587 1.00 0.00 N ATOM 157 CA ASN A 10 -6.454 14.757 2.363 1.00 0.00 C ATOM 158 C ASN A 10 -7.004 14.021 1.150 1.00 0.00 C ATOM 159 O ASN A 10 -6.741 12.833 0.963 1.00 0.00 O ATOM 160 CB ASN A 10 -4.933 14.615 2.408 1.00 0.00 C ATOM 161 CG ASN A 10 -4.224 15.955 2.394 1.00 0.00 C ATOM 162 OD1 ASN A 10 -3.251 16.165 3.120 1.00 0.00 O ATOM 163 ND2 ASN A 10 -4.706 16.871 1.561 1.00 0.00 N ATOM 0 H ASN A 10 -7.674 13.443 3.445 1.00 0.00 H new ATOM 0 HA ASN A 10 -6.710 15.813 2.281 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -4.649 14.067 3.306 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -4.601 14.023 1.555 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -4.268 17.790 1.505 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -5.514 16.655 0.977 1.00 0.00 H new ATOM 170 N ALA A 11 -7.773 14.726 0.329 1.00 0.00 N ATOM 171 CA ALA A 11 -8.359 14.122 -0.859 1.00 0.00 C ATOM 172 C ALA A 11 -8.142 14.985 -2.094 1.00 0.00 C ATOM 173 O ALA A 11 -8.157 16.215 -2.024 1.00 0.00 O ATOM 174 CB ALA A 11 -9.844 13.872 -0.644 1.00 0.00 C ATOM 0 H ALA A 11 -8.004 15.710 0.463 1.00 0.00 H new ATOM 0 HA ALA A 11 -7.857 13.170 -1.029 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.270 13.420 -1.540 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -9.981 13.199 0.202 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -10.346 14.818 -0.440 1.00 0.00 H new ATOM 180 N ASP A 12 -7.952 14.323 -3.227 1.00 0.00 N ATOM 181 CA ASP A 12 -7.745 15.003 -4.496 1.00 0.00 C ATOM 182 C ASP A 12 -8.535 14.300 -5.589 1.00 0.00 C ATOM 183 O ASP A 12 -8.185 14.359 -6.768 1.00 0.00 O ATOM 184 CB ASP A 12 -6.258 15.040 -4.852 1.00 0.00 C ATOM 185 CG ASP A 12 -5.728 16.456 -4.965 1.00 0.00 C ATOM 186 OD1 ASP A 12 -6.316 17.251 -5.726 1.00 0.00 O ATOM 187 OD2 ASP A 12 -4.724 16.769 -4.291 1.00 0.00 O ATOM 0 H ASP A 12 -7.937 13.305 -3.292 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.097 16.031 -4.406 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.691 14.502 -4.092 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.100 14.519 -5.796 1.00 0.00 H new ATOM 192 N MET A 13 -9.604 13.632 -5.176 1.00 0.00 N ATOM 193 CA MET A 13 -10.463 12.902 -6.098 1.00 0.00 C ATOM 194 C MET A 13 -11.870 13.489 -6.104 1.00 0.00 C ATOM 195 O MET A 13 -12.229 14.275 -5.227 1.00 0.00 O ATOM 196 CB MET A 13 -10.518 11.424 -5.706 1.00 0.00 C ATOM 197 CG MET A 13 -11.624 10.650 -6.405 1.00 0.00 C ATOM 198 SD MET A 13 -11.280 8.883 -6.502 1.00 0.00 S ATOM 199 CE MET A 13 -11.269 8.443 -4.765 1.00 0.00 C ATOM 0 H MET A 13 -9.898 13.581 -4.201 1.00 0.00 H new ATOM 0 HA MET A 13 -10.045 12.992 -7.101 1.00 0.00 H new ATOM 0 HB2 MET A 13 -9.559 10.960 -5.937 1.00 0.00 H new ATOM 0 HB3 MET A 13 -10.658 11.348 -4.628 1.00 0.00 H new ATOM 0 HG2 MET A 13 -12.563 10.805 -5.873 1.00 0.00 H new ATOM 0 HG3 MET A 13 -11.759 11.046 -7.412 1.00 0.00 H new ATOM 0 HE1 MET A 13 -11.282 7.358 -4.664 1.00 0.00 H new ATOM 0 HE2 MET A 13 -10.369 8.840 -4.295 1.00 0.00 H new ATOM 0 HE3 MET A 13 -12.149 8.863 -4.278 1.00 0.00 H new ATOM 209 N SER A 14 -12.664 13.099 -7.095 1.00 0.00 N ATOM 210 CA SER A 14 -14.033 13.586 -7.209 1.00 0.00 C ATOM 211 C SER A 14 -14.787 13.388 -5.898 1.00 0.00 C ATOM 212 O SER A 14 -14.694 12.334 -5.270 1.00 0.00 O ATOM 213 CB SER A 14 -14.761 12.863 -8.344 1.00 0.00 C ATOM 214 OG SER A 14 -14.179 13.168 -9.600 1.00 0.00 O ATOM 0 H SER A 14 -12.384 12.449 -7.829 1.00 0.00 H new ATOM 0 HA SER A 14 -13.998 14.652 -7.432 1.00 0.00 H new ATOM 0 HB2 SER A 14 -14.726 11.787 -8.175 1.00 0.00 H new ATOM 0 HB3 SER A 14 -15.812 13.151 -8.347 1.00 0.00 H new ATOM 0 HG SER A 14 -14.661 12.692 -10.308 1.00 0.00 H new ATOM 220 N GLU A 15 -15.532 14.408 -5.487 1.00 0.00 N ATOM 221 CA GLU A 15 -16.298 14.338 -4.248 1.00 0.00 C ATOM 222 C GLU A 15 -16.966 12.977 -4.103 1.00 0.00 C ATOM 223 O GLU A 15 -16.497 12.121 -3.352 1.00 0.00 O ATOM 224 CB GLU A 15 -17.352 15.446 -4.210 1.00 0.00 C ATOM 225 CG GLU A 15 -17.254 16.335 -2.981 1.00 0.00 C ATOM 226 CD GLU A 15 -17.949 15.737 -1.775 1.00 0.00 C ATOM 227 OE1 GLU A 15 -17.930 14.495 -1.633 1.00 0.00 O ATOM 228 OE2 GLU A 15 -18.513 16.509 -0.972 1.00 0.00 O ATOM 0 H GLU A 15 -15.622 15.290 -5.991 1.00 0.00 H new ATOM 0 HA GLU A 15 -15.610 14.477 -3.414 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -17.252 16.062 -5.103 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -18.344 14.995 -4.244 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -16.204 16.506 -2.743 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -17.693 17.307 -3.204 1.00 0.00 H new ATOM 235 N GLU A 16 -18.062 12.778 -4.825 1.00 0.00 N ATOM 236 CA GLU A 16 -18.784 11.514 -4.772 1.00 0.00 C ATOM 237 C GLU A 16 -17.814 10.341 -4.870 1.00 0.00 C ATOM 238 O GLU A 16 -18.142 9.217 -4.490 1.00 0.00 O ATOM 239 CB GLU A 16 -19.816 11.442 -5.897 1.00 0.00 C ATOM 240 CG GLU A 16 -20.642 12.708 -6.042 1.00 0.00 C ATOM 241 CD GLU A 16 -20.514 13.336 -7.416 1.00 0.00 C ATOM 242 OE1 GLU A 16 -19.572 14.131 -7.620 1.00 0.00 O ATOM 243 OE2 GLU A 16 -21.357 13.035 -8.287 1.00 0.00 O ATOM 0 H GLU A 16 -18.469 13.473 -5.451 1.00 0.00 H new ATOM 0 HA GLU A 16 -19.305 11.455 -3.816 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -19.303 11.242 -6.838 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -20.484 10.601 -5.713 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -21.690 12.478 -5.849 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -20.330 13.429 -5.287 1.00 0.00 H new ATOM 250 N MET A 17 -16.614 10.616 -5.375 1.00 0.00 N ATOM 251 CA MET A 17 -15.590 9.587 -5.513 1.00 0.00 C ATOM 252 C MET A 17 -14.912 9.328 -4.174 1.00 0.00 C ATOM 253 O MET A 17 -14.663 8.180 -3.802 1.00 0.00 O ATOM 254 CB MET A 17 -14.549 10.005 -6.556 1.00 0.00 C ATOM 255 CG MET A 17 -14.931 9.635 -7.980 1.00 0.00 C ATOM 256 SD MET A 17 -13.790 8.450 -8.722 1.00 0.00 S ATOM 257 CE MET A 17 -13.685 7.217 -7.427 1.00 0.00 C ATOM 0 H MET A 17 -16.328 11.542 -5.695 1.00 0.00 H new ATOM 0 HA MET A 17 -16.071 8.667 -5.846 1.00 0.00 H new ATOM 0 HB2 MET A 17 -14.401 11.083 -6.497 1.00 0.00 H new ATOM 0 HB3 MET A 17 -13.595 9.538 -6.312 1.00 0.00 H new ATOM 0 HG2 MET A 17 -15.937 9.216 -7.985 1.00 0.00 H new ATOM 0 HG3 MET A 17 -14.959 10.538 -8.590 1.00 0.00 H new ATOM 0 HE1 MET A 17 -13.427 6.252 -7.863 1.00 0.00 H new ATOM 0 HE2 MET A 17 -12.918 7.507 -6.709 1.00 0.00 H new ATOM 0 HE3 MET A 17 -14.646 7.140 -6.919 1.00 0.00 H new ATOM 267 N GLN A 18 -14.622 10.404 -3.446 1.00 0.00 N ATOM 268 CA GLN A 18 -13.981 10.293 -2.143 1.00 0.00 C ATOM 269 C GLN A 18 -14.938 9.677 -1.128 1.00 0.00 C ATOM 270 O GLN A 18 -14.516 9.012 -0.181 1.00 0.00 O ATOM 271 CB GLN A 18 -13.512 11.667 -1.657 1.00 0.00 C ATOM 272 CG GLN A 18 -14.149 12.830 -2.399 1.00 0.00 C ATOM 273 CD GLN A 18 -13.131 13.856 -2.853 1.00 0.00 C ATOM 274 OE1 GLN A 18 -13.486 14.917 -3.366 1.00 0.00 O ATOM 275 NE2 GLN A 18 -11.854 13.543 -2.666 1.00 0.00 N ATOM 0 H GLN A 18 -14.821 11.361 -3.738 1.00 0.00 H new ATOM 0 HA GLN A 18 -13.112 9.643 -2.244 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -13.734 11.761 -0.594 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -12.429 11.730 -1.764 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -14.690 12.451 -3.266 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -14.882 13.312 -1.752 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -11.605 12.652 -2.237 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -11.122 14.194 -2.952 1.00 0.00 H new ATOM 284 N GLN A 19 -16.233 9.887 -1.347 1.00 0.00 N ATOM 285 CA GLN A 19 -17.255 9.340 -0.468 1.00 0.00 C ATOM 286 C GLN A 19 -17.414 7.856 -0.742 1.00 0.00 C ATOM 287 O GLN A 19 -17.460 7.039 0.177 1.00 0.00 O ATOM 288 CB GLN A 19 -18.588 10.057 -0.689 1.00 0.00 C ATOM 289 CG GLN A 19 -19.235 9.720 -2.022 1.00 0.00 C ATOM 290 CD GLN A 19 -20.694 10.127 -2.087 1.00 0.00 C ATOM 291 OE1 GLN A 19 -21.383 9.848 -3.068 1.00 0.00 O ATOM 292 NE2 GLN A 19 -21.174 10.789 -1.040 1.00 0.00 N ATOM 0 H GLN A 19 -16.597 10.433 -2.128 1.00 0.00 H new ATOM 0 HA GLN A 19 -16.950 9.489 0.568 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -19.273 9.793 0.117 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -18.428 11.134 -0.632 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -18.688 10.218 -2.822 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -19.154 8.648 -2.199 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -20.567 10.999 -0.248 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -22.149 11.087 -1.029 1.00 0.00 H new ATOM 301 N ASP A 20 -17.482 7.519 -2.024 1.00 0.00 N ATOM 302 CA ASP A 20 -17.617 6.136 -2.440 1.00 0.00 C ATOM 303 C ASP A 20 -16.349 5.368 -2.093 1.00 0.00 C ATOM 304 O ASP A 20 -16.389 4.172 -1.804 1.00 0.00 O ATOM 305 CB ASP A 20 -17.892 6.050 -3.941 1.00 0.00 C ATOM 306 CG ASP A 20 -19.333 5.691 -4.246 1.00 0.00 C ATOM 307 OD1 ASP A 20 -20.092 5.421 -3.293 1.00 0.00 O ATOM 308 OD2 ASP A 20 -19.701 5.678 -5.440 1.00 0.00 O ATOM 0 H ASP A 20 -17.445 8.189 -2.792 1.00 0.00 H new ATOM 0 HA ASP A 20 -18.461 5.692 -1.912 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -17.652 7.006 -4.407 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -17.233 5.305 -4.386 1.00 0.00 H new ATOM 313 N SER A 21 -15.224 6.077 -2.113 1.00 0.00 N ATOM 314 CA SER A 21 -13.937 5.480 -1.786 1.00 0.00 C ATOM 315 C SER A 21 -13.922 5.047 -0.328 1.00 0.00 C ATOM 316 O SER A 21 -13.531 3.926 -0.003 1.00 0.00 O ATOM 317 CB SER A 21 -12.805 6.472 -2.053 1.00 0.00 C ATOM 318 OG SER A 21 -11.560 5.953 -1.620 1.00 0.00 O ATOM 0 H SER A 21 -15.180 7.067 -2.353 1.00 0.00 H new ATOM 0 HA SER A 21 -13.786 4.605 -2.418 1.00 0.00 H new ATOM 0 HB2 SER A 21 -12.758 6.697 -3.119 1.00 0.00 H new ATOM 0 HB3 SER A 21 -13.010 7.410 -1.538 1.00 0.00 H new ATOM 0 HG SER A 21 -11.442 6.140 -0.665 1.00 0.00 H new ATOM 324 N VAL A 22 -14.363 5.946 0.548 1.00 0.00 N ATOM 325 CA VAL A 22 -14.414 5.655 1.972 1.00 0.00 C ATOM 326 C VAL A 22 -15.276 4.428 2.243 1.00 0.00 C ATOM 327 O VAL A 22 -14.870 3.520 2.968 1.00 0.00 O ATOM 328 CB VAL A 22 -14.968 6.848 2.771 1.00 0.00 C ATOM 329 CG1 VAL A 22 -14.966 6.536 4.258 1.00 0.00 C ATOM 330 CG2 VAL A 22 -14.164 8.106 2.478 1.00 0.00 C ATOM 0 H VAL A 22 -14.689 6.879 0.295 1.00 0.00 H new ATOM 0 HA VAL A 22 -13.392 5.460 2.296 1.00 0.00 H new ATOM 0 HB VAL A 22 -15.998 7.026 2.462 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -15.361 7.389 4.809 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -15.589 5.662 4.447 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -13.947 6.332 4.586 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -14.570 8.939 3.052 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -13.123 7.946 2.758 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -14.222 8.335 1.414 1.00 0.00 H new ATOM 340 N GLU A 23 -16.465 4.402 1.647 1.00 0.00 N ATOM 341 CA GLU A 23 -17.379 3.278 1.818 1.00 0.00 C ATOM 342 C GLU A 23 -16.740 1.994 1.309 1.00 0.00 C ATOM 343 O GLU A 23 -16.899 0.932 1.907 1.00 0.00 O ATOM 344 CB GLU A 23 -18.691 3.539 1.076 1.00 0.00 C ATOM 345 CG GLU A 23 -19.274 4.918 1.337 1.00 0.00 C ATOM 346 CD GLU A 23 -20.576 5.149 0.595 1.00 0.00 C ATOM 347 OE1 GLU A 23 -20.810 4.464 -0.422 1.00 0.00 O ATOM 348 OE2 GLU A 23 -21.363 6.015 1.033 1.00 0.00 O ATOM 0 H GLU A 23 -16.817 5.145 1.043 1.00 0.00 H new ATOM 0 HA GLU A 23 -17.593 3.167 2.881 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -18.523 3.422 0.005 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -19.421 2.784 1.369 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -19.443 5.041 2.407 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -18.550 5.677 1.039 1.00 0.00 H new ATOM 355 N CYS A 24 -16.004 2.103 0.208 1.00 0.00 N ATOM 356 CA CYS A 24 -15.326 0.951 -0.370 1.00 0.00 C ATOM 357 C CYS A 24 -14.236 0.468 0.579 1.00 0.00 C ATOM 358 O CYS A 24 -13.982 -0.733 0.702 1.00 0.00 O ATOM 359 CB CYS A 24 -14.721 1.309 -1.729 1.00 0.00 C ATOM 360 SG CYS A 24 -15.935 1.446 -3.062 1.00 0.00 S ATOM 0 H CYS A 24 -15.863 2.976 -0.300 1.00 0.00 H new ATOM 0 HA CYS A 24 -16.053 0.153 -0.518 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -14.187 2.255 -1.639 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -13.985 0.552 -1.998 1.00 0.00 H new ATOM 0 HG CYS A 24 -15.445 2.173 -4.022 1.00 0.00 H new ATOM 366 N ALA A 25 -13.621 1.417 1.278 1.00 0.00 N ATOM 367 CA ALA A 25 -12.587 1.100 2.245 1.00 0.00 C ATOM 368 C ALA A 25 -13.237 0.419 3.426 1.00 0.00 C ATOM 369 O ALA A 25 -12.721 -0.553 3.979 1.00 0.00 O ATOM 370 CB ALA A 25 -11.861 2.364 2.685 1.00 0.00 C ATOM 0 H ALA A 25 -13.825 2.413 1.189 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.848 0.437 1.796 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.089 2.106 3.410 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.401 2.840 1.819 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -12.573 3.052 3.141 1.00 0.00 H new ATOM 376 N THR A 26 -14.403 0.937 3.779 1.00 0.00 N ATOM 377 CA THR A 26 -15.190 0.404 4.868 1.00 0.00 C ATOM 378 C THR A 26 -15.678 -0.997 4.520 1.00 0.00 C ATOM 379 O THR A 26 -15.705 -1.889 5.368 1.00 0.00 O ATOM 380 CB THR A 26 -16.378 1.319 5.139 1.00 0.00 C ATOM 381 OG1 THR A 26 -15.944 2.582 5.611 1.00 0.00 O ATOM 382 CG2 THR A 26 -17.341 0.757 6.150 1.00 0.00 C ATOM 0 H THR A 26 -14.827 1.740 3.315 1.00 0.00 H new ATOM 0 HA THR A 26 -14.571 0.349 5.764 1.00 0.00 H new ATOM 0 HB THR A 26 -16.894 1.414 4.183 1.00 0.00 H new ATOM 0 HG1 THR A 26 -15.523 3.078 4.878 1.00 0.00 H new ATOM 0 HG21 THR A 26 -18.163 1.457 6.297 1.00 0.00 H new ATOM 0 HG22 THR A 26 -17.734 -0.194 5.789 1.00 0.00 H new ATOM 0 HG23 THR A 26 -16.824 0.600 7.097 1.00 0.00 H new ATOM 390 N GLN A 27 -16.053 -1.181 3.256 1.00 0.00 N ATOM 391 CA GLN A 27 -16.526 -2.472 2.779 1.00 0.00 C ATOM 392 C GLN A 27 -15.457 -3.528 3.006 1.00 0.00 C ATOM 393 O GLN A 27 -15.748 -4.645 3.433 1.00 0.00 O ATOM 394 CB GLN A 27 -16.882 -2.396 1.293 1.00 0.00 C ATOM 395 CG GLN A 27 -18.167 -1.634 1.011 1.00 0.00 C ATOM 396 CD GLN A 27 -19.375 -2.259 1.681 1.00 0.00 C ATOM 397 OE1 GLN A 27 -19.330 -2.618 2.858 1.00 0.00 O ATOM 398 NE2 GLN A 27 -20.464 -2.393 0.933 1.00 0.00 N ATOM 0 H GLN A 27 -16.037 -0.449 2.545 1.00 0.00 H new ATOM 0 HA GLN A 27 -17.423 -2.745 3.336 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -16.062 -1.919 0.756 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -16.976 -3.408 0.899 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -18.058 -0.605 1.354 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -18.333 -1.595 -0.066 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -20.457 -2.082 -0.038 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -21.307 -2.807 1.330 1.00 0.00 H new ATOM 407 N ALA A 28 -14.213 -3.153 2.734 1.00 0.00 N ATOM 408 CA ALA A 28 -13.088 -4.052 2.927 1.00 0.00 C ATOM 409 C ALA A 28 -12.839 -4.253 4.412 1.00 0.00 C ATOM 410 O ALA A 28 -12.353 -5.298 4.843 1.00 0.00 O ATOM 411 CB ALA A 28 -11.844 -3.493 2.257 1.00 0.00 C ATOM 0 H ALA A 28 -13.960 -2.231 2.379 1.00 0.00 H new ATOM 0 HA ALA A 28 -13.323 -5.014 2.472 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.010 -4.177 2.410 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -12.027 -3.377 1.189 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -11.602 -2.523 2.691 1.00 0.00 H new ATOM 417 N LEU A 29 -13.182 -3.232 5.189 1.00 0.00 N ATOM 418 CA LEU A 29 -13.007 -3.271 6.630 1.00 0.00 C ATOM 419 C LEU A 29 -14.016 -4.211 7.278 1.00 0.00 C ATOM 420 O LEU A 29 -13.680 -4.972 8.186 1.00 0.00 O ATOM 421 CB LEU A 29 -13.152 -1.868 7.212 1.00 0.00 C ATOM 422 CG LEU A 29 -11.945 -0.960 6.994 1.00 0.00 C ATOM 423 CD1 LEU A 29 -12.378 0.373 6.413 1.00 0.00 C ATOM 424 CD2 LEU A 29 -11.194 -0.755 8.296 1.00 0.00 C ATOM 0 H LEU A 29 -13.585 -2.363 4.839 1.00 0.00 H new ATOM 0 HA LEU A 29 -12.006 -3.647 6.842 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -14.030 -1.395 6.771 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -13.339 -1.951 8.283 1.00 0.00 H new ATOM 0 HG LEU A 29 -11.275 -1.442 6.282 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -11.504 1.007 6.265 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -12.874 0.209 5.456 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -13.068 0.862 7.100 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -10.336 -0.105 8.123 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -11.856 -0.294 9.029 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -10.849 -1.718 8.673 1.00 0.00 H new ATOM 436 N GLU A 30 -15.256 -4.150 6.805 1.00 0.00 N ATOM 437 CA GLU A 30 -16.321 -4.993 7.336 1.00 0.00 C ATOM 438 C GLU A 30 -16.102 -6.456 6.966 1.00 0.00 C ATOM 439 O GLU A 30 -16.391 -7.355 7.756 1.00 0.00 O ATOM 440 CB GLU A 30 -17.680 -4.521 6.813 1.00 0.00 C ATOM 441 CG GLU A 30 -18.435 -3.639 7.792 1.00 0.00 C ATOM 442 CD GLU A 30 -19.904 -4.000 7.889 1.00 0.00 C ATOM 443 OE1 GLU A 30 -20.285 -5.076 7.380 1.00 0.00 O ATOM 444 OE2 GLU A 30 -20.674 -3.208 8.472 1.00 0.00 O ATOM 0 H GLU A 30 -15.549 -3.525 6.054 1.00 0.00 H new ATOM 0 HA GLU A 30 -16.305 -4.909 8.423 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -17.531 -3.973 5.883 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -18.291 -5.392 6.576 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -17.978 -3.723 8.778 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -18.340 -2.598 7.485 1.00 0.00 H new ATOM 451 N LYS A 31 -15.587 -6.689 5.763 1.00 0.00 N ATOM 452 CA LYS A 31 -15.330 -8.044 5.293 1.00 0.00 C ATOM 453 C LYS A 31 -14.030 -8.582 5.881 1.00 0.00 C ATOM 454 O LYS A 31 -13.852 -9.792 6.016 1.00 0.00 O ATOM 455 CB LYS A 31 -15.262 -8.075 3.765 1.00 0.00 C ATOM 456 CG LYS A 31 -16.625 -8.103 3.093 1.00 0.00 C ATOM 457 CD LYS A 31 -16.697 -7.114 1.941 1.00 0.00 C ATOM 458 CE LYS A 31 -17.542 -7.650 0.798 1.00 0.00 C ATOM 459 NZ LYS A 31 -18.907 -7.056 0.792 1.00 0.00 N ATOM 0 H LYS A 31 -15.340 -5.957 5.097 1.00 0.00 H new ATOM 0 HA LYS A 31 -16.152 -8.679 5.624 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -14.713 -7.200 3.417 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -14.695 -8.952 3.453 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -16.830 -9.108 2.725 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -17.398 -7.868 3.825 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -17.117 -6.172 2.295 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -15.691 -6.899 1.581 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -17.049 -7.436 -0.150 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -17.618 -8.734 0.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -19.452 -7.447 -0.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -19.388 -7.282 1.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -18.836 -6.024 0.688 1.00 0.00 H new ATOM 473 N TYR A 32 -13.127 -7.672 6.229 1.00 0.00 N ATOM 474 CA TYR A 32 -11.842 -8.052 6.804 1.00 0.00 C ATOM 475 C TYR A 32 -11.256 -6.909 7.625 1.00 0.00 C ATOM 476 O TYR A 32 -11.395 -5.740 7.266 1.00 0.00 O ATOM 477 CB TYR A 32 -10.859 -8.461 5.703 1.00 0.00 C ATOM 478 CG TYR A 32 -11.483 -8.544 4.327 1.00 0.00 C ATOM 479 CD1 TYR A 32 -11.545 -7.427 3.504 1.00 0.00 C ATOM 480 CD2 TYR A 32 -12.007 -9.739 3.853 1.00 0.00 C ATOM 481 CE1 TYR A 32 -12.114 -7.499 2.248 1.00 0.00 C ATOM 482 CE2 TYR A 32 -12.577 -9.819 2.597 1.00 0.00 C ATOM 483 CZ TYR A 32 -12.627 -8.697 1.798 1.00 0.00 C ATOM 484 OH TYR A 32 -13.193 -8.773 0.547 1.00 0.00 O ATOM 0 H TYR A 32 -13.261 -6.666 6.123 1.00 0.00 H new ATOM 0 HA TYR A 32 -12.008 -8.904 7.463 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -10.038 -7.744 5.677 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -10.428 -9.430 5.955 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -11.142 -6.487 3.852 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -11.968 -10.620 4.476 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -12.157 -6.621 1.621 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -12.981 -10.756 2.243 1.00 0.00 H new ATOM 0 HH TYR A 32 -13.505 -9.688 0.384 1.00 0.00 H new ATOM 494 N ASN A 33 -10.600 -7.252 8.729 1.00 0.00 N ATOM 495 CA ASN A 33 -9.993 -6.250 9.599 1.00 0.00 C ATOM 496 C ASN A 33 -8.472 -6.287 9.493 1.00 0.00 C ATOM 497 O ASN A 33 -7.765 -5.975 10.451 1.00 0.00 O ATOM 498 CB ASN A 33 -10.424 -6.473 11.049 1.00 0.00 C ATOM 499 CG ASN A 33 -11.494 -5.494 11.491 1.00 0.00 C ATOM 500 OD1 ASN A 33 -12.588 -5.458 10.929 1.00 0.00 O ATOM 501 ND2 ASN A 33 -11.182 -4.691 12.502 1.00 0.00 N ATOM 0 H ASN A 33 -10.475 -8.215 9.042 1.00 0.00 H new ATOM 0 HA ASN A 33 -10.336 -5.268 9.275 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -10.798 -7.491 11.162 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -9.556 -6.378 11.702 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -11.862 -4.010 12.841 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -10.263 -4.755 12.939 1.00 0.00 H new ATOM 508 N ILE A 34 -7.978 -6.666 8.320 1.00 0.00 N ATOM 509 CA ILE A 34 -6.541 -6.741 8.082 1.00 0.00 C ATOM 510 C ILE A 34 -6.094 -5.652 7.115 1.00 0.00 C ATOM 511 O ILE A 34 -6.430 -5.693 5.933 1.00 0.00 O ATOM 512 CB ILE A 34 -6.137 -8.112 7.507 1.00 0.00 C ATOM 513 CG1 ILE A 34 -6.905 -9.230 8.207 1.00 0.00 C ATOM 514 CG2 ILE A 34 -4.637 -8.323 7.646 1.00 0.00 C ATOM 515 CD1 ILE A 34 -6.519 -9.401 9.654 1.00 0.00 C ATOM 0 H ILE A 34 -8.552 -6.926 7.518 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.051 -6.600 9.045 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.390 -8.134 6.447 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.973 -9.022 8.145 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -6.731 -10.167 7.678 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.367 -9.296 7.235 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.108 -7.540 7.103 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.360 -8.284 8.700 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -7.101 -10.211 10.093 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.458 -9.639 9.722 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.719 -8.476 10.196 1.00 0.00 H new ATOM 527 N GLU A 35 -5.336 -4.684 7.625 1.00 0.00 N ATOM 528 CA GLU A 35 -4.843 -3.584 6.800 1.00 0.00 C ATOM 529 C GLU A 35 -4.680 -4.025 5.350 1.00 0.00 C ATOM 530 O GLU A 35 -5.562 -3.800 4.520 1.00 0.00 O ATOM 531 CB GLU A 35 -3.509 -3.067 7.343 1.00 0.00 C ATOM 532 CG GLU A 35 -3.524 -2.791 8.839 1.00 0.00 C ATOM 533 CD GLU A 35 -2.969 -3.945 9.651 1.00 0.00 C ATOM 534 OE1 GLU A 35 -3.243 -5.109 9.294 1.00 0.00 O ATOM 535 OE2 GLU A 35 -2.259 -3.684 10.645 1.00 0.00 O ATOM 0 H GLU A 35 -5.050 -4.639 8.603 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.576 -2.778 6.836 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.730 -3.798 7.125 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.243 -2.151 6.816 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.941 -1.893 9.045 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.546 -2.587 9.157 1.00 0.00 H new ATOM 542 N LYS A 36 -3.554 -4.663 5.051 1.00 0.00 N ATOM 543 CA LYS A 36 -3.287 -5.143 3.702 1.00 0.00 C ATOM 544 C LYS A 36 -4.567 -5.661 3.055 1.00 0.00 C ATOM 545 O LYS A 36 -4.893 -5.303 1.923 1.00 0.00 O ATOM 546 CB LYS A 36 -2.230 -6.248 3.730 1.00 0.00 C ATOM 547 CG LYS A 36 -1.456 -6.315 5.038 1.00 0.00 C ATOM 548 CD LYS A 36 -1.620 -7.666 5.713 1.00 0.00 C ATOM 549 CE LYS A 36 -0.978 -8.777 4.898 1.00 0.00 C ATOM 550 NZ LYS A 36 0.450 -8.985 5.271 1.00 0.00 N ATOM 0 H LYS A 36 -2.813 -4.859 5.724 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.910 -4.309 3.110 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.715 -7.208 3.555 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.529 -6.090 2.910 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.399 -6.129 4.847 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.802 -5.528 5.708 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.171 -7.635 6.706 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.680 -7.879 5.850 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.531 -9.704 5.048 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.045 -8.534 3.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.852 -9.751 4.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.984 -8.108 5.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.512 -9.242 6.277 1.00 0.00 H new ATOM 564 N ASP A 37 -5.295 -6.501 3.785 1.00 0.00 N ATOM 565 CA ASP A 37 -6.545 -7.061 3.287 1.00 0.00 C ATOM 566 C ASP A 37 -7.478 -5.951 2.815 1.00 0.00 C ATOM 567 O ASP A 37 -7.810 -5.864 1.633 1.00 0.00 O ATOM 568 CB ASP A 37 -7.227 -7.891 4.378 1.00 0.00 C ATOM 569 CG ASP A 37 -8.023 -9.049 3.810 1.00 0.00 C ATOM 570 OD1 ASP A 37 -8.981 -8.794 3.049 1.00 0.00 O ATOM 571 OD2 ASP A 37 -7.691 -10.211 4.126 1.00 0.00 O ATOM 0 H ASP A 37 -5.040 -6.808 4.724 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.318 -7.709 2.440 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.472 -8.275 5.064 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.889 -7.249 4.959 1.00 0.00 H new ATOM 576 N ILE A 38 -7.889 -5.099 3.747 1.00 0.00 N ATOM 577 CA ILE A 38 -8.774 -3.984 3.432 1.00 0.00 C ATOM 578 C ILE A 38 -8.296 -3.249 2.186 1.00 0.00 C ATOM 579 O ILE A 38 -9.082 -2.953 1.285 1.00 0.00 O ATOM 580 CB ILE A 38 -8.850 -2.985 4.605 1.00 0.00 C ATOM 581 CG1 ILE A 38 -8.917 -3.733 5.938 1.00 0.00 C ATOM 582 CG2 ILE A 38 -10.050 -2.066 4.444 1.00 0.00 C ATOM 583 CD1 ILE A 38 -8.480 -2.897 7.121 1.00 0.00 C ATOM 0 H ILE A 38 -7.623 -5.160 4.730 1.00 0.00 H new ATOM 0 HA ILE A 38 -9.765 -4.400 3.252 1.00 0.00 H new ATOM 0 HB ILE A 38 -7.948 -2.373 4.599 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -9.939 -4.075 6.103 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -8.289 -4.622 5.879 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -10.088 -1.368 5.280 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -9.960 -1.510 3.511 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -10.964 -2.660 4.425 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -8.553 -3.490 8.033 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -7.448 -2.576 6.978 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -9.124 -2.021 7.205 1.00 0.00 H new ATOM 595 N ALA A 39 -7.000 -2.957 2.144 1.00 0.00 N ATOM 596 CA ALA A 39 -6.408 -2.259 1.011 1.00 0.00 C ATOM 597 C ALA A 39 -6.671 -3.008 -0.290 1.00 0.00 C ATOM 598 O ALA A 39 -7.141 -2.428 -1.268 1.00 0.00 O ATOM 599 CB ALA A 39 -4.914 -2.080 1.230 1.00 0.00 C ATOM 0 H ALA A 39 -6.339 -3.194 2.884 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.873 -1.276 0.932 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.481 -1.557 0.377 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.746 -1.498 2.136 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.442 -3.057 1.334 1.00 0.00 H new ATOM 605 N ALA A 40 -6.368 -4.303 -0.292 1.00 0.00 N ATOM 606 CA ALA A 40 -6.576 -5.132 -1.473 1.00 0.00 C ATOM 607 C ALA A 40 -8.036 -5.094 -1.910 1.00 0.00 C ATOM 608 O ALA A 40 -8.344 -4.761 -3.055 1.00 0.00 O ATOM 609 CB ALA A 40 -6.140 -6.562 -1.197 1.00 0.00 C ATOM 0 H ALA A 40 -5.979 -4.799 0.510 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.968 -4.732 -2.285 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.301 -7.170 -2.087 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.082 -6.576 -0.935 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.724 -6.967 -0.371 1.00 0.00 H new ATOM 615 N HIS A 41 -8.931 -5.434 -0.989 1.00 0.00 N ATOM 616 CA HIS A 41 -10.361 -5.434 -1.274 1.00 0.00 C ATOM 617 C HIS A 41 -10.767 -4.143 -1.980 1.00 0.00 C ATOM 618 O HIS A 41 -11.482 -4.170 -2.982 1.00 0.00 O ATOM 619 CB HIS A 41 -11.156 -5.605 0.026 1.00 0.00 C ATOM 620 CG HIS A 41 -12.584 -5.153 -0.067 1.00 0.00 C ATOM 621 ND1 HIS A 41 -13.653 -5.971 0.230 1.00 0.00 N ATOM 622 CD2 HIS A 41 -13.114 -3.957 -0.417 1.00 0.00 C ATOM 623 CE1 HIS A 41 -14.779 -5.300 0.062 1.00 0.00 C ATOM 624 NE2 HIS A 41 -14.480 -4.077 -0.329 1.00 0.00 N ATOM 0 H HIS A 41 -8.691 -5.713 -0.038 1.00 0.00 H new ATOM 0 HA HIS A 41 -10.585 -6.271 -1.936 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -11.136 -6.656 0.316 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -10.660 -5.046 0.819 1.00 0.00 H new ATOM 0 HD1 HIS A 41 -13.585 -6.943 0.532 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -12.566 -3.074 -0.710 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -15.775 -5.688 0.218 1.00 0.00 H new ATOM 633 N ILE A 42 -10.305 -3.014 -1.451 1.00 0.00 N ATOM 634 CA ILE A 42 -10.619 -1.713 -2.030 1.00 0.00 C ATOM 635 C ILE A 42 -10.096 -1.608 -3.459 1.00 0.00 C ATOM 636 O ILE A 42 -10.869 -1.618 -4.416 1.00 0.00 O ATOM 637 CB ILE A 42 -10.023 -0.563 -1.193 1.00 0.00 C ATOM 638 CG1 ILE A 42 -10.468 -0.680 0.267 1.00 0.00 C ATOM 639 CG2 ILE A 42 -10.436 0.782 -1.772 1.00 0.00 C ATOM 640 CD1 ILE A 42 -9.665 0.185 1.216 1.00 0.00 C ATOM 0 H ILE A 42 -9.712 -2.974 -0.622 1.00 0.00 H new ATOM 0 HA ILE A 42 -11.705 -1.624 -2.033 1.00 0.00 H new ATOM 0 HB ILE A 42 -8.936 -0.634 -1.228 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -11.520 -0.406 0.341 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -10.387 -1.721 0.581 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -10.008 1.584 -1.171 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -10.074 0.864 -2.797 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -11.523 0.863 -1.764 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -10.036 0.051 2.232 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -8.615 -0.104 1.172 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -9.766 1.231 0.928 1.00 0.00 H new ATOM 652 N LYS A 43 -8.778 -1.510 -3.594 1.00 0.00 N ATOM 653 CA LYS A 43 -8.147 -1.402 -4.904 1.00 0.00 C ATOM 654 C LYS A 43 -8.784 -2.366 -5.904 1.00 0.00 C ATOM 655 O LYS A 43 -8.995 -2.020 -7.066 1.00 0.00 O ATOM 656 CB LYS A 43 -6.649 -1.688 -4.792 1.00 0.00 C ATOM 657 CG LYS A 43 -5.939 -1.747 -6.135 1.00 0.00 C ATOM 658 CD LYS A 43 -6.174 -3.077 -6.832 1.00 0.00 C ATOM 659 CE LYS A 43 -6.392 -2.891 -8.324 1.00 0.00 C ATOM 660 NZ LYS A 43 -6.220 -4.165 -9.075 1.00 0.00 N ATOM 0 H LYS A 43 -8.125 -1.503 -2.811 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.295 -0.385 -5.266 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.185 -0.916 -4.179 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.506 -2.636 -4.273 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.292 -0.935 -6.770 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.869 -1.596 -5.989 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.319 -3.732 -6.667 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.042 -3.570 -6.395 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.394 -2.500 -8.498 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.690 -2.149 -8.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.394 -3.998 -10.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.250 -4.517 -8.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.896 -4.871 -8.720 1.00 0.00 H new ATOM 674 N LYS A 44 -9.084 -3.577 -5.444 1.00 0.00 N ATOM 675 CA LYS A 44 -9.691 -4.593 -6.299 1.00 0.00 C ATOM 676 C LYS A 44 -10.979 -4.081 -6.933 1.00 0.00 C ATOM 677 O LYS A 44 -11.086 -3.982 -8.155 1.00 0.00 O ATOM 678 CB LYS A 44 -9.975 -5.863 -5.494 1.00 0.00 C ATOM 679 CG LYS A 44 -10.427 -7.037 -6.346 1.00 0.00 C ATOM 680 CD LYS A 44 -9.251 -7.903 -6.770 1.00 0.00 C ATOM 681 CE LYS A 44 -9.698 -9.062 -7.647 1.00 0.00 C ATOM 682 NZ LYS A 44 -8.672 -10.141 -7.709 1.00 0.00 N ATOM 0 H LYS A 44 -8.917 -3.879 -4.484 1.00 0.00 H new ATOM 0 HA LYS A 44 -8.986 -4.825 -7.097 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.075 -6.146 -4.949 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -10.743 -5.648 -4.751 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -11.141 -7.640 -5.786 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -10.946 -6.668 -7.231 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.527 -7.294 -7.311 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -8.745 -8.289 -5.885 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -10.631 -9.471 -7.260 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.903 -8.697 -8.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.015 -10.912 -8.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.789 -9.758 -8.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.495 -10.507 -6.752 1.00 0.00 H new ATOM 696 N GLU A 45 -11.955 -3.764 -6.094 1.00 0.00 N ATOM 697 CA GLU A 45 -13.244 -3.269 -6.568 1.00 0.00 C ATOM 698 C GLU A 45 -13.087 -1.942 -7.305 1.00 0.00 C ATOM 699 O GLU A 45 -13.596 -1.773 -8.412 1.00 0.00 O ATOM 700 CB GLU A 45 -14.212 -3.102 -5.396 1.00 0.00 C ATOM 701 CG GLU A 45 -14.883 -4.398 -4.974 1.00 0.00 C ATOM 702 CD GLU A 45 -13.898 -5.412 -4.428 1.00 0.00 C ATOM 703 OE1 GLU A 45 -13.519 -5.294 -3.243 1.00 0.00 O ATOM 704 OE2 GLU A 45 -13.506 -6.325 -5.185 1.00 0.00 O ATOM 0 H GLU A 45 -11.881 -3.840 -5.080 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.649 -4.003 -7.265 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -13.671 -2.688 -4.545 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.979 -2.377 -5.669 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.636 -4.183 -4.216 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.405 -4.828 -5.829 1.00 0.00 H new ATOM 711 N PHE A 46 -12.384 -1.002 -6.682 1.00 0.00 N ATOM 712 CA PHE A 46 -12.167 0.312 -7.277 1.00 0.00 C ATOM 713 C PHE A 46 -11.540 0.195 -8.663 1.00 0.00 C ATOM 714 O PHE A 46 -11.842 0.984 -9.558 1.00 0.00 O ATOM 715 CB PHE A 46 -11.274 1.164 -6.373 1.00 0.00 C ATOM 716 CG PHE A 46 -12.005 2.294 -5.706 1.00 0.00 C ATOM 717 CD1 PHE A 46 -12.691 2.090 -4.520 1.00 0.00 C ATOM 718 CD2 PHE A 46 -12.006 3.562 -6.267 1.00 0.00 C ATOM 719 CE1 PHE A 46 -13.365 3.127 -3.905 1.00 0.00 C ATOM 720 CE2 PHE A 46 -12.679 4.603 -5.657 1.00 0.00 C ATOM 721 CZ PHE A 46 -13.360 4.386 -4.475 1.00 0.00 C ATOM 0 H PHE A 46 -11.955 -1.126 -5.765 1.00 0.00 H new ATOM 0 HA PHE A 46 -13.139 0.795 -7.381 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -10.830 0.527 -5.608 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -10.454 1.571 -6.964 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -12.699 1.108 -4.071 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -11.475 3.738 -7.191 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -13.895 2.954 -2.980 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -12.673 5.586 -6.104 1.00 0.00 H new ATOM 0 HZ PHE A 46 -13.887 5.198 -3.997 1.00 0.00 H new ATOM 731 N ASP A 47 -10.665 -0.789 -8.833 1.00 0.00 N ATOM 732 CA ASP A 47 -9.996 -1.003 -10.110 1.00 0.00 C ATOM 733 C ASP A 47 -10.961 -1.565 -11.148 1.00 0.00 C ATOM 734 O ASP A 47 -10.902 -1.206 -12.324 1.00 0.00 O ATOM 735 CB ASP A 47 -8.807 -1.950 -9.935 1.00 0.00 C ATOM 736 CG ASP A 47 -8.280 -2.469 -11.259 1.00 0.00 C ATOM 737 OD1 ASP A 47 -9.075 -3.041 -12.032 1.00 0.00 O ATOM 738 OD2 ASP A 47 -7.069 -2.305 -11.520 1.00 0.00 O ATOM 0 H ASP A 47 -10.402 -1.451 -8.103 1.00 0.00 H new ATOM 0 HA ASP A 47 -9.635 -0.038 -10.466 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -8.007 -1.430 -9.407 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -9.106 -2.792 -9.311 1.00 0.00 H new ATOM 743 N LYS A 48 -11.849 -2.451 -10.707 1.00 0.00 N ATOM 744 CA LYS A 48 -12.824 -3.064 -11.601 1.00 0.00 C ATOM 745 C LYS A 48 -14.186 -2.387 -11.476 1.00 0.00 C ATOM 746 O LYS A 48 -15.179 -2.870 -12.020 1.00 0.00 O ATOM 747 CB LYS A 48 -12.959 -4.557 -11.295 1.00 0.00 C ATOM 748 CG LYS A 48 -12.106 -5.444 -12.188 1.00 0.00 C ATOM 749 CD LYS A 48 -12.954 -6.463 -12.932 1.00 0.00 C ATOM 750 CE LYS A 48 -13.952 -5.789 -13.859 1.00 0.00 C ATOM 751 NZ LYS A 48 -13.666 -6.081 -15.292 1.00 0.00 N ATOM 0 H LYS A 48 -11.913 -2.760 -9.737 1.00 0.00 H new ATOM 0 HA LYS A 48 -12.468 -2.936 -12.623 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -12.684 -4.732 -10.255 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -14.004 -4.848 -11.401 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.564 -4.827 -12.905 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -11.360 -5.961 -11.584 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -12.307 -7.123 -13.510 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -13.487 -7.087 -12.215 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -14.959 -6.126 -13.614 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -13.928 -4.711 -13.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -14.369 -5.603 -15.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.715 -5.737 -15.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.714 -7.107 -15.454 1.00 0.00 H new ATOM 765 N LYS A 49 -14.226 -1.272 -10.756 1.00 0.00 N ATOM 766 CA LYS A 49 -15.469 -0.536 -10.561 1.00 0.00 C ATOM 767 C LYS A 49 -15.294 0.941 -10.902 1.00 0.00 C ATOM 768 O LYS A 49 -16.206 1.743 -10.708 1.00 0.00 O ATOM 769 CB LYS A 49 -15.951 -0.682 -9.117 1.00 0.00 C ATOM 770 CG LYS A 49 -17.459 -0.837 -8.993 1.00 0.00 C ATOM 771 CD LYS A 49 -18.101 0.419 -8.427 1.00 0.00 C ATOM 772 CE LYS A 49 -18.952 1.128 -9.468 1.00 0.00 C ATOM 773 NZ LYS A 49 -20.281 0.478 -9.639 1.00 0.00 N ATOM 0 H LYS A 49 -13.414 -0.859 -10.298 1.00 0.00 H new ATOM 0 HA LYS A 49 -16.216 -0.957 -11.234 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -15.467 -1.548 -8.667 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -15.636 0.192 -8.547 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -17.885 -1.056 -9.972 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -17.687 -1.686 -8.349 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -18.718 0.158 -7.568 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -17.325 1.095 -8.068 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -19.092 2.168 -9.174 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -18.426 1.135 -10.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -20.829 0.993 -10.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -20.149 -0.507 -9.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -20.794 0.494 -8.735 1.00 0.00 H new ATOM 787 N TYR A 50 -14.117 1.293 -11.408 1.00 0.00 N ATOM 788 CA TYR A 50 -13.830 2.676 -11.771 1.00 0.00 C ATOM 789 C TYR A 50 -12.943 2.744 -13.009 1.00 0.00 C ATOM 790 O TYR A 50 -13.371 3.207 -14.066 1.00 0.00 O ATOM 791 CB TYR A 50 -13.149 3.397 -10.607 1.00 0.00 C ATOM 792 CG TYR A 50 -14.031 3.553 -9.389 1.00 0.00 C ATOM 793 CD1 TYR A 50 -14.243 2.488 -8.522 1.00 0.00 C ATOM 794 CD2 TYR A 50 -14.650 4.763 -9.107 1.00 0.00 C ATOM 795 CE1 TYR A 50 -15.048 2.627 -7.408 1.00 0.00 C ATOM 796 CE2 TYR A 50 -15.457 4.909 -7.994 1.00 0.00 C ATOM 797 CZ TYR A 50 -15.653 3.839 -7.148 1.00 0.00 C ATOM 798 OH TYR A 50 -16.456 3.981 -6.040 1.00 0.00 O ATOM 0 H TYR A 50 -13.349 0.643 -11.576 1.00 0.00 H new ATOM 0 HA TYR A 50 -14.776 3.168 -11.997 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -12.251 2.847 -10.326 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -12.827 4.384 -10.941 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -13.771 1.537 -8.722 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -14.499 5.604 -9.768 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -15.203 1.790 -6.743 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -15.932 5.857 -7.789 1.00 0.00 H new ATOM 0 HH TYR A 50 -16.490 3.133 -5.550 1.00 0.00 H new ATOM 808 N ASN A 51 -11.705 2.282 -12.868 1.00 0.00 N ATOM 809 CA ASN A 51 -10.751 2.291 -13.966 1.00 0.00 C ATOM 810 C ASN A 51 -9.332 2.120 -13.432 1.00 0.00 C ATOM 811 O ASN A 51 -8.787 3.023 -12.797 1.00 0.00 O ATOM 812 CB ASN A 51 -10.858 3.593 -14.762 1.00 0.00 C ATOM 813 CG ASN A 51 -10.082 4.728 -14.123 1.00 0.00 C ATOM 814 OD1 ASN A 51 -8.861 4.814 -14.259 1.00 0.00 O ATOM 815 ND2 ASN A 51 -10.787 5.608 -13.424 1.00 0.00 N ATOM 0 H ASN A 51 -11.339 1.895 -11.998 1.00 0.00 H new ATOM 0 HA ASN A 51 -10.983 1.458 -14.630 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.488 3.428 -15.774 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -11.907 3.877 -14.849 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -10.319 6.394 -12.973 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -11.797 5.498 -13.337 1.00 0.00 H new ATOM 822 N PRO A 52 -8.711 0.954 -13.673 1.00 0.00 N ATOM 823 CA PRO A 52 -7.353 0.677 -13.205 1.00 0.00 C ATOM 824 C PRO A 52 -6.383 1.820 -13.514 1.00 0.00 C ATOM 825 O PRO A 52 -6.553 2.522 -14.511 1.00 0.00 O ATOM 826 CB PRO A 52 -6.964 -0.576 -13.982 1.00 0.00 C ATOM 827 CG PRO A 52 -8.252 -1.269 -14.253 1.00 0.00 C ATOM 828 CD PRO A 52 -9.283 -0.186 -14.418 1.00 0.00 C ATOM 0 HA PRO A 52 -7.312 0.557 -12.122 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -6.448 -0.323 -14.908 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -6.289 -1.207 -13.403 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -8.183 -1.881 -15.152 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -8.516 -1.936 -13.432 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.441 0.060 -15.468 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.249 -0.486 -14.012 1.00 0.00 H new ATOM 836 N THR A 53 -5.359 2.014 -12.667 1.00 0.00 N ATOM 837 CA THR A 53 -5.141 1.192 -11.478 1.00 0.00 C ATOM 838 C THR A 53 -5.189 2.047 -10.217 1.00 0.00 C ATOM 839 O THR A 53 -4.622 3.137 -10.175 1.00 0.00 O ATOM 840 CB THR A 53 -3.798 0.470 -11.568 1.00 0.00 C ATOM 841 OG1 THR A 53 -3.626 -0.408 -10.471 1.00 0.00 O ATOM 842 CG2 THR A 53 -2.621 1.414 -11.590 1.00 0.00 C ATOM 0 H THR A 53 -4.661 2.747 -12.793 1.00 0.00 H new ATOM 0 HA THR A 53 -5.938 0.450 -11.427 1.00 0.00 H new ATOM 0 HB THR A 53 -3.824 -0.079 -12.509 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.836 -1.324 -10.749 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.696 0.841 -11.655 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.700 2.074 -12.454 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.615 2.010 -10.677 1.00 0.00 H new ATOM 850 N TRP A 54 -5.879 1.550 -9.196 1.00 0.00 N ATOM 851 CA TRP A 54 -6.010 2.280 -7.942 1.00 0.00 C ATOM 852 C TRP A 54 -4.987 1.818 -6.910 1.00 0.00 C ATOM 853 O TRP A 54 -4.919 0.638 -6.569 1.00 0.00 O ATOM 854 CB TRP A 54 -7.421 2.110 -7.378 1.00 0.00 C ATOM 855 CG TRP A 54 -8.488 2.656 -8.275 1.00 0.00 C ATOM 856 CD1 TRP A 54 -8.895 2.141 -9.472 1.00 0.00 C ATOM 857 CD2 TRP A 54 -9.284 3.824 -8.047 1.00 0.00 C ATOM 858 NE1 TRP A 54 -9.895 2.919 -10.003 1.00 0.00 N ATOM 859 CE2 TRP A 54 -10.151 3.957 -9.146 1.00 0.00 C ATOM 860 CE3 TRP A 54 -9.346 4.770 -7.020 1.00 0.00 C ATOM 861 CZ2 TRP A 54 -11.071 4.999 -9.246 1.00 0.00 C ATOM 862 CZ3 TRP A 54 -10.259 5.802 -7.120 1.00 0.00 C ATOM 863 CH2 TRP A 54 -11.110 5.910 -8.226 1.00 0.00 C ATOM 0 H TRP A 54 -6.354 0.648 -9.213 1.00 0.00 H new ATOM 0 HA TRP A 54 -5.824 3.333 -8.155 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -7.610 1.051 -7.204 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -7.480 2.608 -6.410 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -8.490 1.252 -9.934 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -10.369 2.751 -10.890 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -8.692 4.696 -6.164 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -11.729 5.084 -10.098 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -10.317 6.538 -6.332 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -11.812 6.729 -8.275 1.00 0.00 H new ATOM 874 N HIS A 55 -4.209 2.767 -6.398 1.00 0.00 N ATOM 875 CA HIS A 55 -3.206 2.474 -5.382 1.00 0.00 C ATOM 876 C HIS A 55 -3.669 3.030 -4.041 1.00 0.00 C ATOM 877 O HIS A 55 -3.594 4.235 -3.802 1.00 0.00 O ATOM 878 CB HIS A 55 -1.853 3.080 -5.761 1.00 0.00 C ATOM 879 CG HIS A 55 -1.719 3.398 -7.218 1.00 0.00 C ATOM 880 ND1 HIS A 55 -0.863 4.365 -7.700 1.00 0.00 N ATOM 881 CD2 HIS A 55 -2.336 2.871 -8.302 1.00 0.00 C ATOM 882 CE1 HIS A 55 -0.959 4.420 -9.016 1.00 0.00 C ATOM 883 NE2 HIS A 55 -1.845 3.524 -9.406 1.00 0.00 N ATOM 0 H HIS A 55 -4.255 3.748 -6.672 1.00 0.00 H new ATOM 0 HA HIS A 55 -3.085 1.393 -5.309 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -1.700 3.992 -5.184 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -1.062 2.386 -5.476 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -0.251 4.948 -7.129 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -3.076 2.084 -8.299 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -0.406 5.085 -9.663 1.00 0.00 H new ATOM 892 N CYS A 56 -4.174 2.154 -3.180 1.00 0.00 N ATOM 893 CA CYS A 56 -4.678 2.582 -1.882 1.00 0.00 C ATOM 894 C CYS A 56 -3.887 1.982 -0.724 1.00 0.00 C ATOM 895 O CYS A 56 -3.325 0.891 -0.831 1.00 0.00 O ATOM 896 CB CYS A 56 -6.152 2.207 -1.746 1.00 0.00 C ATOM 897 SG CYS A 56 -6.436 0.514 -1.179 1.00 0.00 S ATOM 0 H CYS A 56 -4.245 1.152 -3.355 1.00 0.00 H new ATOM 0 HA CYS A 56 -4.561 3.665 -1.832 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -6.628 2.897 -1.049 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -6.640 2.342 -2.711 1.00 0.00 H new ATOM 0 HG CYS A 56 -6.061 -0.321 -2.102 1.00 0.00 H new ATOM 903 N ILE A 57 -3.870 2.709 0.388 1.00 0.00 N ATOM 904 CA ILE A 57 -3.174 2.272 1.595 1.00 0.00 C ATOM 905 C ILE A 57 -4.092 2.387 2.809 1.00 0.00 C ATOM 906 O ILE A 57 -4.436 3.489 3.236 1.00 0.00 O ATOM 907 CB ILE A 57 -1.900 3.103 1.855 1.00 0.00 C ATOM 908 CG1 ILE A 57 -1.023 3.160 0.598 1.00 0.00 C ATOM 909 CG2 ILE A 57 -1.121 2.529 3.031 1.00 0.00 C ATOM 910 CD1 ILE A 57 -0.779 1.813 -0.048 1.00 0.00 C ATOM 0 H ILE A 57 -4.335 3.612 0.479 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.887 1.232 1.439 1.00 0.00 H new ATOM 0 HB ILE A 57 -2.199 4.121 2.105 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.494 3.820 -0.131 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -0.063 3.605 0.858 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -0.226 3.127 3.201 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.745 2.548 3.925 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -0.834 1.501 2.810 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.151 1.941 -0.930 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -0.279 1.154 0.662 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -1.732 1.373 -0.342 1.00 0.00 H new ATOM 922 N VAL A 58 -4.492 1.244 3.358 1.00 0.00 N ATOM 923 CA VAL A 58 -5.377 1.222 4.519 1.00 0.00 C ATOM 924 C VAL A 58 -4.618 0.860 5.789 1.00 0.00 C ATOM 925 O VAL A 58 -4.019 -0.210 5.878 1.00 0.00 O ATOM 926 CB VAL A 58 -6.529 0.220 4.327 1.00 0.00 C ATOM 927 CG1 VAL A 58 -5.982 -1.139 3.931 1.00 0.00 C ATOM 928 CG2 VAL A 58 -7.364 0.118 5.594 1.00 0.00 C ATOM 0 H VAL A 58 -4.218 0.322 3.019 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.786 2.227 4.618 1.00 0.00 H new ATOM 0 HB VAL A 58 -7.174 0.579 3.525 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.807 -1.839 3.798 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.428 -1.050 2.997 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.318 -1.506 4.713 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.174 -0.595 5.440 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.735 -0.220 6.418 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.782 1.096 5.834 1.00 0.00 H new ATOM 938 N GLY A 59 -4.654 1.753 6.771 1.00 0.00 N ATOM 939 CA GLY A 59 -3.969 1.505 8.023 1.00 0.00 C ATOM 940 C GLY A 59 -4.466 2.405 9.133 1.00 0.00 C ATOM 941 O GLY A 59 -5.310 3.272 8.906 1.00 0.00 O ATOM 0 H GLY A 59 -5.146 2.645 6.721 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.109 0.463 8.312 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.898 1.657 7.886 1.00 0.00 H new ATOM 945 N ARG A 60 -3.949 2.200 10.339 1.00 0.00 N ATOM 946 CA ARG A 60 -4.355 3.004 11.483 1.00 0.00 C ATOM 947 C ARG A 60 -3.157 3.385 12.345 1.00 0.00 C ATOM 948 O ARG A 60 -3.236 3.365 13.574 1.00 0.00 O ATOM 949 CB ARG A 60 -5.381 2.245 12.324 1.00 0.00 C ATOM 950 CG ARG A 60 -5.136 0.746 12.375 1.00 0.00 C ATOM 951 CD ARG A 60 -6.373 -0.004 12.841 1.00 0.00 C ATOM 952 NE ARG A 60 -6.246 -0.469 14.219 1.00 0.00 N ATOM 953 CZ ARG A 60 -7.254 -0.982 14.917 1.00 0.00 C ATOM 954 NH1 ARG A 60 -8.454 -1.100 14.365 1.00 0.00 N ATOM 955 NH2 ARG A 60 -7.063 -1.377 16.169 1.00 0.00 N ATOM 0 H ARG A 60 -3.251 1.487 10.548 1.00 0.00 H new ATOM 0 HA ARG A 60 -4.807 3.921 11.104 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -5.371 2.641 13.339 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -6.377 2.429 11.920 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -4.844 0.390 11.387 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -4.305 0.535 13.049 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -7.244 0.646 12.757 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -6.548 -0.857 12.185 1.00 0.00 H new ATOM 0 HE ARG A 60 -5.334 -0.396 14.671 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -8.605 -0.797 13.403 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -9.226 -1.494 14.903 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -6.142 -1.287 16.597 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -7.838 -1.770 16.703 1.00 0.00 H new ATOM 969 N ASN A 61 -2.051 3.737 11.699 1.00 0.00 N ATOM 970 CA ASN A 61 -0.845 4.128 12.417 1.00 0.00 C ATOM 971 C ASN A 61 0.350 4.213 11.480 1.00 0.00 C ATOM 972 O ASN A 61 1.497 4.070 11.904 1.00 0.00 O ATOM 973 CB ASN A 61 -0.552 3.143 13.550 1.00 0.00 C ATOM 974 CG ASN A 61 0.171 3.795 14.711 1.00 0.00 C ATOM 975 OD1 ASN A 61 1.401 3.808 14.764 1.00 0.00 O ATOM 976 ND2 ASN A 61 -0.592 4.342 15.650 1.00 0.00 N ATOM 0 H ASN A 61 -1.965 3.759 10.683 1.00 0.00 H new ATOM 0 HA ASN A 61 -1.018 5.117 12.842 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.489 2.713 13.905 1.00 0.00 H new ATOM 0 HB3 ASN A 61 0.051 2.321 13.166 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.162 4.796 16.456 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -1.608 4.308 15.565 1.00 0.00 H new ATOM 983 N PHE A 62 0.077 4.452 10.205 1.00 0.00 N ATOM 984 CA PHE A 62 1.129 4.563 9.209 1.00 0.00 C ATOM 985 C PHE A 62 1.272 6.006 8.738 1.00 0.00 C ATOM 986 O PHE A 62 0.729 6.927 9.348 1.00 0.00 O ATOM 987 CB PHE A 62 0.825 3.653 8.022 1.00 0.00 C ATOM 988 CG PHE A 62 -0.166 4.243 7.063 1.00 0.00 C ATOM 989 CD1 PHE A 62 -1.527 4.074 7.258 1.00 0.00 C ATOM 990 CD2 PHE A 62 0.266 4.973 5.971 1.00 0.00 C ATOM 991 CE1 PHE A 62 -2.439 4.622 6.375 1.00 0.00 C ATOM 992 CE2 PHE A 62 -0.639 5.524 5.087 1.00 0.00 C ATOM 993 CZ PHE A 62 -1.994 5.349 5.288 1.00 0.00 C ATOM 0 H PHE A 62 -0.867 4.573 9.837 1.00 0.00 H new ATOM 0 HA PHE A 62 2.070 4.252 9.664 1.00 0.00 H new ATOM 0 HB2 PHE A 62 1.752 3.439 7.490 1.00 0.00 H new ATOM 0 HB3 PHE A 62 0.442 2.702 8.391 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -1.879 3.509 8.108 1.00 0.00 H new ATOM 0 HD2 PHE A 62 1.324 5.114 5.808 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -3.498 4.482 6.535 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -0.288 6.092 4.238 1.00 0.00 H new ATOM 0 HZ PHE A 62 -2.704 5.779 4.597 1.00 0.00 H new ATOM 1003 N GLY A 63 2.004 6.192 7.648 1.00 0.00 N ATOM 1004 CA GLY A 63 2.208 7.521 7.101 1.00 0.00 C ATOM 1005 C GLY A 63 2.412 7.491 5.601 1.00 0.00 C ATOM 1006 O GLY A 63 3.488 7.133 5.121 1.00 0.00 O ATOM 0 H GLY A 63 2.463 5.443 7.130 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.347 8.147 7.338 1.00 0.00 H new ATOM 0 HA3 GLY A 63 3.075 7.979 7.576 1.00 0.00 H new ATOM 1010 N SER A 64 1.373 7.854 4.857 1.00 0.00 N ATOM 1011 CA SER A 64 1.445 7.852 3.402 1.00 0.00 C ATOM 1012 C SER A 64 2.017 9.160 2.867 1.00 0.00 C ATOM 1013 O SER A 64 1.628 10.247 3.296 1.00 0.00 O ATOM 1014 CB SER A 64 0.062 7.604 2.796 1.00 0.00 C ATOM 1015 OG SER A 64 -0.846 8.632 3.154 1.00 0.00 O ATOM 0 H SER A 64 0.474 8.152 5.236 1.00 0.00 H new ATOM 0 HA SER A 64 2.115 7.044 3.110 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.142 7.548 1.710 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.320 6.642 3.137 1.00 0.00 H new ATOM 0 HG SER A 64 -1.689 8.233 3.455 1.00 0.00 H new ATOM 1021 N TYR A 65 2.939 9.039 1.919 1.00 0.00 N ATOM 1022 CA TYR A 65 3.570 10.198 1.302 1.00 0.00 C ATOM 1023 C TYR A 65 3.960 9.877 -0.137 1.00 0.00 C ATOM 1024 O TYR A 65 5.079 9.437 -0.409 1.00 0.00 O ATOM 1025 CB TYR A 65 4.803 10.626 2.100 1.00 0.00 C ATOM 1026 CG TYR A 65 5.452 11.891 1.582 1.00 0.00 C ATOM 1027 CD1 TYR A 65 6.447 11.838 0.615 1.00 0.00 C ATOM 1028 CD2 TYR A 65 5.068 13.137 2.060 1.00 0.00 C ATOM 1029 CE1 TYR A 65 7.043 12.991 0.140 1.00 0.00 C ATOM 1030 CE2 TYR A 65 5.657 14.294 1.590 1.00 0.00 C ATOM 1031 CZ TYR A 65 6.644 14.216 0.631 1.00 0.00 C ATOM 1032 OH TYR A 65 7.234 15.367 0.160 1.00 0.00 O ATOM 0 H TYR A 65 3.268 8.143 1.559 1.00 0.00 H new ATOM 0 HA TYR A 65 2.857 11.022 1.300 1.00 0.00 H new ATOM 0 HB2 TYR A 65 4.518 10.774 3.141 1.00 0.00 H new ATOM 0 HB3 TYR A 65 5.535 9.819 2.082 1.00 0.00 H new ATOM 0 HD1 TYR A 65 6.760 10.880 0.228 1.00 0.00 H new ATOM 0 HD2 TYR A 65 4.296 13.202 2.812 1.00 0.00 H new ATOM 0 HE1 TYR A 65 7.817 12.933 -0.611 1.00 0.00 H new ATOM 0 HE2 TYR A 65 5.346 15.255 1.972 1.00 0.00 H new ATOM 0 HH TYR A 65 6.838 16.144 0.607 1.00 0.00 H new ATOM 1042 N VAL A 66 3.023 10.088 -1.053 1.00 0.00 N ATOM 1043 CA VAL A 66 3.257 9.814 -2.464 1.00 0.00 C ATOM 1044 C VAL A 66 2.800 10.978 -3.335 1.00 0.00 C ATOM 1045 O VAL A 66 2.114 11.886 -2.866 1.00 0.00 O ATOM 1046 CB VAL A 66 2.522 8.534 -2.906 1.00 0.00 C ATOM 1047 CG1 VAL A 66 2.869 7.376 -1.982 1.00 0.00 C ATOM 1048 CG2 VAL A 66 1.020 8.766 -2.939 1.00 0.00 C ATOM 0 H VAL A 66 2.092 10.449 -0.843 1.00 0.00 H new ATOM 0 HA VAL A 66 4.331 9.675 -2.591 1.00 0.00 H new ATOM 0 HB VAL A 66 2.849 8.277 -3.914 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.342 6.480 -2.308 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.944 7.196 -2.012 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.571 7.622 -0.963 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.517 7.851 -3.253 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.673 9.047 -1.945 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.791 9.566 -3.643 1.00 0.00 H new ATOM 1058 N THR A 67 3.185 10.944 -4.605 1.00 0.00 N ATOM 1059 CA THR A 67 2.815 11.997 -5.543 1.00 0.00 C ATOM 1060 C THR A 67 1.521 11.647 -6.271 1.00 0.00 C ATOM 1061 O THR A 67 1.547 11.136 -7.391 1.00 0.00 O ATOM 1062 CB THR A 67 3.937 12.225 -6.555 1.00 0.00 C ATOM 1063 OG1 THR A 67 3.649 13.339 -7.381 1.00 0.00 O ATOM 1064 CG2 THR A 67 4.171 11.035 -7.454 1.00 0.00 C ATOM 0 H THR A 67 3.753 10.199 -5.009 1.00 0.00 H new ATOM 0 HA THR A 67 2.655 12.914 -4.976 1.00 0.00 H new ATOM 0 HB THR A 67 4.835 12.398 -5.962 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.468 13.857 -7.529 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.979 11.258 -8.150 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.442 10.170 -6.849 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.261 10.817 -8.013 1.00 0.00 H new ATOM 1072 N HIS A 68 0.391 11.928 -5.633 1.00 0.00 N ATOM 1073 CA HIS A 68 -0.905 11.643 -6.229 1.00 0.00 C ATOM 1074 C HIS A 68 -1.025 12.315 -7.591 1.00 0.00 C ATOM 1075 O HIS A 68 -0.093 12.975 -8.049 1.00 0.00 O ATOM 1076 CB HIS A 68 -2.026 12.120 -5.306 1.00 0.00 C ATOM 1077 CG HIS A 68 -2.192 13.607 -5.290 1.00 0.00 C ATOM 1078 ND1 HIS A 68 -1.289 14.461 -4.694 1.00 0.00 N ATOM 1079 CD2 HIS A 68 -3.165 14.391 -5.804 1.00 0.00 C ATOM 1080 CE1 HIS A 68 -1.702 15.708 -4.842 1.00 0.00 C ATOM 1081 NE2 HIS A 68 -2.838 15.692 -5.514 1.00 0.00 N ATOM 0 H HIS A 68 0.348 12.352 -4.706 1.00 0.00 H new ATOM 0 HA HIS A 68 -0.994 10.565 -6.365 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -2.964 11.661 -5.619 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.824 11.774 -4.292 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -4.039 14.056 -6.343 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -1.196 16.589 -4.476 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -3.384 16.513 -5.775 1.00 0.00 H new ATOM 1090 N GLU A 69 -2.172 12.145 -8.236 1.00 0.00 N ATOM 1091 CA GLU A 69 -2.399 12.739 -9.547 1.00 0.00 C ATOM 1092 C GLU A 69 -3.752 12.326 -10.113 1.00 0.00 C ATOM 1093 O GLU A 69 -4.599 11.787 -9.399 1.00 0.00 O ATOM 1094 CB GLU A 69 -1.285 12.330 -10.513 1.00 0.00 C ATOM 1095 CG GLU A 69 -0.650 10.990 -10.177 1.00 0.00 C ATOM 1096 CD GLU A 69 0.429 10.591 -11.164 1.00 0.00 C ATOM 1097 OE1 GLU A 69 1.591 11.008 -10.974 1.00 0.00 O ATOM 1098 OE2 GLU A 69 0.114 9.860 -12.127 1.00 0.00 O ATOM 0 H GLU A 69 -2.957 11.603 -7.874 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.394 13.823 -9.429 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.690 12.288 -11.524 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.513 13.099 -10.511 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.222 11.036 -9.176 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.422 10.221 -10.158 1.00 0.00 H new ATOM 1105 N THR A 70 -3.944 12.582 -11.402 1.00 0.00 N ATOM 1106 CA THR A 70 -5.192 12.239 -12.072 1.00 0.00 C ATOM 1107 C THR A 70 -6.374 12.933 -11.405 1.00 0.00 C ATOM 1108 O THR A 70 -6.627 14.114 -11.640 1.00 0.00 O ATOM 1109 CB THR A 70 -5.398 10.725 -12.062 1.00 0.00 C ATOM 1110 OG1 THR A 70 -4.153 10.051 -12.032 1.00 0.00 O ATOM 1111 CG2 THR A 70 -6.168 10.218 -13.262 1.00 0.00 C ATOM 0 H THR A 70 -3.251 13.026 -12.004 1.00 0.00 H new ATOM 0 HA THR A 70 -5.130 12.582 -13.105 1.00 0.00 H new ATOM 0 HB THR A 70 -5.981 10.518 -11.164 1.00 0.00 H new ATOM 0 HG1 THR A 70 -3.622 10.309 -12.815 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.279 9.136 -13.192 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.154 10.683 -13.285 1.00 0.00 H new ATOM 0 HG23 THR A 70 -5.627 10.469 -14.174 1.00 0.00 H new ATOM 1119 N LYS A 71 -7.094 12.192 -10.569 1.00 0.00 N ATOM 1120 CA LYS A 71 -8.248 12.738 -9.866 1.00 0.00 C ATOM 1121 C LYS A 71 -8.906 11.677 -8.989 1.00 0.00 C ATOM 1122 O LYS A 71 -10.111 11.724 -8.741 1.00 0.00 O ATOM 1123 CB LYS A 71 -9.267 13.291 -10.866 1.00 0.00 C ATOM 1124 CG LYS A 71 -9.344 14.810 -10.883 1.00 0.00 C ATOM 1125 CD LYS A 71 -10.114 15.316 -12.092 1.00 0.00 C ATOM 1126 CE LYS A 71 -9.209 15.477 -13.302 1.00 0.00 C ATOM 1127 NZ LYS A 71 -9.131 14.227 -14.109 1.00 0.00 N ATOM 0 H LYS A 71 -6.898 11.213 -10.362 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.899 13.548 -9.225 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.011 12.938 -11.865 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.252 12.889 -10.628 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.826 15.161 -9.971 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.337 15.226 -10.892 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.919 14.621 -12.329 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.579 16.273 -11.854 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.580 16.290 -13.927 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.209 15.759 -12.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.986 14.469 -15.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.336 13.647 -13.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.017 13.692 -14.007 1.00 0.00 H new ATOM 1141 N HIS A 72 -8.110 10.719 -8.524 1.00 0.00 N ATOM 1142 CA HIS A 72 -8.623 9.648 -7.678 1.00 0.00 C ATOM 1143 C HIS A 72 -7.667 9.342 -6.528 1.00 0.00 C ATOM 1144 O HIS A 72 -7.263 8.196 -6.333 1.00 0.00 O ATOM 1145 CB HIS A 72 -8.861 8.387 -8.509 1.00 0.00 C ATOM 1146 CG HIS A 72 -9.542 8.652 -9.816 1.00 0.00 C ATOM 1147 ND1 HIS A 72 -10.778 8.133 -10.140 1.00 0.00 N ATOM 1148 CD2 HIS A 72 -9.154 9.389 -10.883 1.00 0.00 C ATOM 1149 CE1 HIS A 72 -11.120 8.539 -11.350 1.00 0.00 C ATOM 1150 NE2 HIS A 72 -10.152 9.302 -11.823 1.00 0.00 N ATOM 0 H HIS A 72 -7.110 10.663 -8.718 1.00 0.00 H new ATOM 0 HA HIS A 72 -9.569 9.982 -7.252 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -7.904 7.901 -8.699 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -9.464 7.688 -7.929 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -11.340 7.530 -9.539 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -8.231 9.942 -10.978 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -12.036 8.289 -11.865 1.00 0.00 H new ATOM 1159 N PHE A 73 -7.317 10.373 -5.764 1.00 0.00 N ATOM 1160 CA PHE A 73 -6.416 10.212 -4.628 1.00 0.00 C ATOM 1161 C PHE A 73 -7.068 10.752 -3.358 1.00 0.00 C ATOM 1162 O PHE A 73 -6.922 11.929 -3.031 1.00 0.00 O ATOM 1163 CB PHE A 73 -5.086 10.930 -4.897 1.00 0.00 C ATOM 1164 CG PHE A 73 -4.371 11.389 -3.654 1.00 0.00 C ATOM 1165 CD1 PHE A 73 -3.819 10.470 -2.776 1.00 0.00 C ATOM 1166 CD2 PHE A 73 -4.258 12.740 -3.363 1.00 0.00 C ATOM 1167 CE1 PHE A 73 -3.165 10.890 -1.633 1.00 0.00 C ATOM 1168 CE2 PHE A 73 -3.606 13.165 -2.222 1.00 0.00 C ATOM 1169 CZ PHE A 73 -3.059 12.239 -1.355 1.00 0.00 C ATOM 0 H PHE A 73 -7.644 11.328 -5.911 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.213 9.150 -4.489 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -4.430 10.260 -5.454 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.275 11.794 -5.534 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -3.901 9.414 -2.987 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -4.685 13.468 -4.036 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -2.737 10.164 -0.958 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -3.524 14.220 -2.008 1.00 0.00 H new ATOM 0 HZ PHE A 73 -2.550 12.569 -0.462 1.00 0.00 H new ATOM 1179 N ILE A 74 -7.788 9.892 -2.647 1.00 0.00 N ATOM 1180 CA ILE A 74 -8.460 10.303 -1.423 1.00 0.00 C ATOM 1181 C ILE A 74 -7.803 9.697 -0.190 1.00 0.00 C ATOM 1182 O ILE A 74 -7.376 8.543 -0.203 1.00 0.00 O ATOM 1183 CB ILE A 74 -9.946 9.901 -1.428 1.00 0.00 C ATOM 1184 CG1 ILE A 74 -10.670 10.595 -0.262 1.00 0.00 C ATOM 1185 CG2 ILE A 74 -10.072 8.381 -1.353 1.00 0.00 C ATOM 1186 CD1 ILE A 74 -11.968 9.935 0.167 1.00 0.00 C ATOM 0 H ILE A 74 -7.920 8.912 -2.896 1.00 0.00 H new ATOM 0 HA ILE A 74 -8.377 11.389 -1.383 1.00 0.00 H new ATOM 0 HB ILE A 74 -10.418 10.225 -2.356 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -9.997 10.631 0.595 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -10.880 11.626 -0.546 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -11.126 8.103 -1.357 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -9.575 7.932 -2.213 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -9.605 8.022 -0.436 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -12.405 10.495 0.994 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -12.665 9.923 -0.671 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -11.768 8.912 0.487 1.00 0.00 H new ATOM 1198 N TYR A 75 -7.745 10.481 0.878 1.00 0.00 N ATOM 1199 CA TYR A 75 -7.163 10.027 2.134 1.00 0.00 C ATOM 1200 C TYR A 75 -8.106 10.337 3.289 1.00 0.00 C ATOM 1201 O TYR A 75 -8.613 11.452 3.406 1.00 0.00 O ATOM 1202 CB TYR A 75 -5.803 10.684 2.372 1.00 0.00 C ATOM 1203 CG TYR A 75 -4.978 9.991 3.432 1.00 0.00 C ATOM 1204 CD1 TYR A 75 -4.563 8.675 3.266 1.00 0.00 C ATOM 1205 CD2 TYR A 75 -4.616 10.651 4.599 1.00 0.00 C ATOM 1206 CE1 TYR A 75 -3.810 8.038 4.233 1.00 0.00 C ATOM 1207 CE2 TYR A 75 -3.863 10.020 5.571 1.00 0.00 C ATOM 1208 CZ TYR A 75 -3.462 8.714 5.384 1.00 0.00 C ATOM 1209 OH TYR A 75 -2.712 8.084 6.349 1.00 0.00 O ATOM 0 H TYR A 75 -8.096 11.439 0.899 1.00 0.00 H new ATOM 0 HA TYR A 75 -7.016 8.949 2.075 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -5.244 10.694 1.436 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -5.956 11.723 2.663 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -4.834 8.142 2.367 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -4.928 11.674 4.749 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -3.495 7.015 4.089 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -3.590 10.547 6.473 1.00 0.00 H new ATOM 0 HH TYR A 75 -2.732 7.116 6.199 1.00 0.00 H new ATOM 1219 N PHE A 76 -8.347 9.344 4.135 1.00 0.00 N ATOM 1220 CA PHE A 76 -9.242 9.516 5.271 1.00 0.00 C ATOM 1221 C PHE A 76 -8.905 8.537 6.390 1.00 0.00 C ATOM 1222 O PHE A 76 -7.988 7.726 6.265 1.00 0.00 O ATOM 1223 CB PHE A 76 -10.692 9.321 4.826 1.00 0.00 C ATOM 1224 CG PHE A 76 -10.870 8.189 3.853 1.00 0.00 C ATOM 1225 CD1 PHE A 76 -10.415 8.303 2.549 1.00 0.00 C ATOM 1226 CD2 PHE A 76 -11.488 7.013 4.245 1.00 0.00 C ATOM 1227 CE1 PHE A 76 -10.574 7.264 1.653 1.00 0.00 C ATOM 1228 CE2 PHE A 76 -11.651 5.971 3.352 1.00 0.00 C ATOM 1229 CZ PHE A 76 -11.193 6.096 2.055 1.00 0.00 C ATOM 0 H PHE A 76 -7.936 8.414 4.056 1.00 0.00 H new ATOM 0 HA PHE A 76 -9.114 10.528 5.655 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -11.312 9.137 5.703 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.051 10.243 4.369 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -9.931 9.214 2.230 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.846 6.909 5.259 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -10.215 7.364 0.639 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -12.136 5.059 3.668 1.00 0.00 H new ATOM 0 HZ PHE A 76 -11.319 5.282 1.356 1.00 0.00 H new ATOM 1239 N TYR A 77 -9.654 8.620 7.482 1.00 0.00 N ATOM 1240 CA TYR A 77 -9.439 7.743 8.625 1.00 0.00 C ATOM 1241 C TYR A 77 -10.770 7.255 9.188 1.00 0.00 C ATOM 1242 O TYR A 77 -11.479 7.999 9.866 1.00 0.00 O ATOM 1243 CB TYR A 77 -8.646 8.472 9.711 1.00 0.00 C ATOM 1244 CG TYR A 77 -8.244 7.583 10.864 1.00 0.00 C ATOM 1245 CD1 TYR A 77 -9.169 7.209 11.831 1.00 0.00 C ATOM 1246 CD2 TYR A 77 -6.942 7.114 10.987 1.00 0.00 C ATOM 1247 CE1 TYR A 77 -8.809 6.394 12.887 1.00 0.00 C ATOM 1248 CE2 TYR A 77 -6.573 6.298 12.041 1.00 0.00 C ATOM 1249 CZ TYR A 77 -7.510 5.942 12.987 1.00 0.00 C ATOM 1250 OH TYR A 77 -7.148 5.130 14.037 1.00 0.00 O ATOM 0 H TYR A 77 -10.417 9.287 7.600 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.867 6.878 8.289 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.750 8.904 9.267 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -9.244 9.300 10.092 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -10.187 7.561 11.756 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -6.206 7.391 10.247 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -9.541 6.113 13.630 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -5.557 5.942 12.122 1.00 0.00 H new ATOM 0 HH TYR A 77 -6.199 4.899 13.960 1.00 0.00 H new ATOM 1260 N LEU A 78 -11.105 6.001 8.901 1.00 0.00 N ATOM 1261 CA LEU A 78 -12.353 5.417 9.376 1.00 0.00 C ATOM 1262 C LEU A 78 -12.429 5.449 10.898 1.00 0.00 C ATOM 1263 O LEU A 78 -11.469 5.822 11.573 1.00 0.00 O ATOM 1264 CB LEU A 78 -12.497 3.979 8.876 1.00 0.00 C ATOM 1265 CG LEU A 78 -12.970 3.843 7.429 1.00 0.00 C ATOM 1266 CD1 LEU A 78 -14.447 4.191 7.316 1.00 0.00 C ATOM 1267 CD2 LEU A 78 -12.142 4.729 6.512 1.00 0.00 C ATOM 0 H LEU A 78 -10.530 5.371 8.342 1.00 0.00 H new ATOM 0 HA LEU A 78 -13.173 6.014 8.978 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -11.535 3.477 8.977 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -13.200 3.454 9.523 1.00 0.00 H new ATOM 0 HG LEU A 78 -12.836 2.807 7.119 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -14.767 4.089 6.279 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -15.029 3.516 7.943 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -14.605 5.218 7.645 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -12.493 4.619 5.486 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -12.245 5.769 6.821 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -11.094 4.435 6.571 1.00 0.00 H new ATOM 1279 N GLY A 79 -13.581 5.059 11.430 1.00 0.00 N ATOM 1280 CA GLY A 79 -13.776 5.050 12.867 1.00 0.00 C ATOM 1281 C GLY A 79 -12.502 4.748 13.633 1.00 0.00 C ATOM 1282 O GLY A 79 -12.202 5.406 14.630 1.00 0.00 O ATOM 0 H GLY A 79 -14.387 4.747 10.889 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -14.163 6.019 13.182 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -14.532 4.307 13.122 1.00 0.00 H new ATOM 1286 N GLN A 80 -11.754 3.749 13.175 1.00 0.00 N ATOM 1287 CA GLN A 80 -10.511 3.364 13.836 1.00 0.00 C ATOM 1288 C GLN A 80 -9.462 2.908 12.824 1.00 0.00 C ATOM 1289 O GLN A 80 -8.567 2.130 13.156 1.00 0.00 O ATOM 1290 CB GLN A 80 -10.777 2.247 14.849 1.00 0.00 C ATOM 1291 CG GLN A 80 -9.543 1.820 15.625 1.00 0.00 C ATOM 1292 CD GLN A 80 -8.977 2.935 16.481 1.00 0.00 C ATOM 1293 OE1 GLN A 80 -7.761 3.063 16.630 1.00 0.00 O ATOM 1294 NE2 GLN A 80 -9.856 3.751 17.052 1.00 0.00 N ATOM 0 H GLN A 80 -11.985 3.193 12.352 1.00 0.00 H new ATOM 0 HA GLN A 80 -10.123 4.240 14.356 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -11.540 2.580 15.552 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -11.183 1.382 14.325 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -9.794 0.971 16.261 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -8.779 1.480 14.926 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -10.855 3.610 16.903 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -9.532 4.519 17.640 1.00 0.00 H new ATOM 1303 N VAL A 81 -9.577 3.392 11.593 1.00 0.00 N ATOM 1304 CA VAL A 81 -8.638 3.029 10.540 1.00 0.00 C ATOM 1305 C VAL A 81 -8.424 4.188 9.571 1.00 0.00 C ATOM 1306 O VAL A 81 -9.035 5.246 9.709 1.00 0.00 O ATOM 1307 CB VAL A 81 -9.137 1.802 9.758 1.00 0.00 C ATOM 1308 CG1 VAL A 81 -8.046 1.264 8.847 1.00 0.00 C ATOM 1309 CG2 VAL A 81 -9.620 0.724 10.715 1.00 0.00 C ATOM 0 H VAL A 81 -10.311 4.037 11.300 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.690 2.788 11.021 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.976 2.109 9.134 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -8.421 0.397 8.304 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -7.751 2.037 8.137 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -7.183 0.972 9.446 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.970 -0.137 10.146 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -8.800 0.421 11.365 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -10.437 1.115 11.321 1.00 0.00 H new ATOM 1319 N ALA A 82 -7.552 3.980 8.590 1.00 0.00 N ATOM 1320 CA ALA A 82 -7.259 5.004 7.599 1.00 0.00 C ATOM 1321 C ALA A 82 -7.091 4.388 6.217 1.00 0.00 C ATOM 1322 O ALA A 82 -6.738 3.215 6.088 1.00 0.00 O ATOM 1323 CB ALA A 82 -6.009 5.778 7.992 1.00 0.00 C ATOM 0 H ALA A 82 -7.036 3.109 8.462 1.00 0.00 H new ATOM 0 HA ALA A 82 -8.101 5.695 7.563 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -5.802 6.541 7.241 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -6.165 6.255 8.960 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.163 5.094 8.057 1.00 0.00 H new ATOM 1329 N ILE A 83 -7.350 5.182 5.185 1.00 0.00 N ATOM 1330 CA ILE A 83 -7.231 4.707 3.813 1.00 0.00 C ATOM 1331 C ILE A 83 -6.598 5.766 2.917 1.00 0.00 C ATOM 1332 O ILE A 83 -6.926 6.950 3.007 1.00 0.00 O ATOM 1333 CB ILE A 83 -8.601 4.305 3.231 1.00 0.00 C ATOM 1334 CG1 ILE A 83 -9.615 4.063 4.356 1.00 0.00 C ATOM 1335 CG2 ILE A 83 -8.463 3.063 2.362 1.00 0.00 C ATOM 1336 CD1 ILE A 83 -9.343 2.809 5.160 1.00 0.00 C ATOM 0 H ILE A 83 -7.643 6.155 5.272 1.00 0.00 H new ATOM 0 HA ILE A 83 -6.588 3.827 3.840 1.00 0.00 H new ATOM 0 HB ILE A 83 -8.966 5.124 2.611 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -9.612 4.922 5.027 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -10.614 3.998 3.925 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -9.438 2.791 1.958 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -7.775 3.267 1.542 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -8.077 2.240 2.963 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -10.100 2.704 5.937 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -9.375 1.941 4.502 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -8.358 2.879 5.621 1.00 0.00 H new ATOM 1348 N LEU A 84 -5.685 5.331 2.055 1.00 0.00 N ATOM 1349 CA LEU A 84 -4.995 6.234 1.141 1.00 0.00 C ATOM 1350 C LEU A 84 -5.220 5.807 -0.306 1.00 0.00 C ATOM 1351 O LEU A 84 -4.377 5.138 -0.902 1.00 0.00 O ATOM 1352 CB LEU A 84 -3.498 6.253 1.459 1.00 0.00 C ATOM 1353 CG LEU A 84 -2.591 6.699 0.311 1.00 0.00 C ATOM 1354 CD1 LEU A 84 -2.492 8.212 0.269 1.00 0.00 C ATOM 1355 CD2 LEU A 84 -1.209 6.081 0.456 1.00 0.00 C ATOM 0 H LEU A 84 -5.405 4.354 1.970 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.400 7.238 1.270 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.332 6.915 2.309 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.197 5.253 1.770 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.028 6.356 -0.627 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.843 8.511 -0.554 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.485 8.638 0.121 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.077 8.576 1.209 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.576 6.408 -0.369 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.767 6.397 1.401 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.293 4.994 0.440 1.00 0.00 H new ATOM 1367 N LEU A 85 -6.365 6.194 -0.866 1.00 0.00 N ATOM 1368 CA LEU A 85 -6.700 5.842 -2.240 1.00 0.00 C ATOM 1369 C LEU A 85 -6.115 6.844 -3.227 1.00 0.00 C ATOM 1370 O LEU A 85 -6.333 8.049 -3.106 1.00 0.00 O ATOM 1371 CB LEU A 85 -8.219 5.774 -2.415 1.00 0.00 C ATOM 1372 CG LEU A 85 -8.754 4.427 -2.904 1.00 0.00 C ATOM 1373 CD1 LEU A 85 -8.828 3.439 -1.753 1.00 0.00 C ATOM 1374 CD2 LEU A 85 -10.120 4.597 -3.551 1.00 0.00 C ATOM 0 H LEU A 85 -7.074 6.751 -0.388 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.267 4.863 -2.447 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.690 6.010 -1.461 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.523 6.547 -3.121 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.068 4.034 -3.654 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -9.210 2.485 -2.116 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -7.833 3.295 -1.333 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.494 3.827 -0.983 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -10.484 3.628 -3.892 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.818 5.011 -2.824 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -10.038 5.274 -4.401 1.00 0.00 H new ATOM 1386 N PHE A 86 -5.375 6.337 -4.207 1.00 0.00 N ATOM 1387 CA PHE A 86 -4.766 7.193 -5.221 1.00 0.00 C ATOM 1388 C PHE A 86 -4.205 6.373 -6.383 1.00 0.00 C ATOM 1389 O PHE A 86 -3.390 5.472 -6.185 1.00 0.00 O ATOM 1390 CB PHE A 86 -3.665 8.062 -4.594 1.00 0.00 C ATOM 1391 CG PHE A 86 -2.286 7.468 -4.677 1.00 0.00 C ATOM 1392 CD1 PHE A 86 -1.935 6.378 -3.897 1.00 0.00 C ATOM 1393 CD2 PHE A 86 -1.341 8.002 -5.539 1.00 0.00 C ATOM 1394 CE1 PHE A 86 -0.668 5.832 -3.974 1.00 0.00 C ATOM 1395 CE2 PHE A 86 -0.074 7.461 -5.621 1.00 0.00 C ATOM 1396 CZ PHE A 86 0.264 6.374 -4.838 1.00 0.00 C ATOM 0 H PHE A 86 -5.182 5.342 -4.322 1.00 0.00 H new ATOM 0 HA PHE A 86 -5.544 7.843 -5.621 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -3.660 9.034 -5.088 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.910 8.238 -3.547 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.660 5.950 -3.221 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -1.599 8.852 -6.154 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -0.407 4.983 -3.360 1.00 0.00 H new ATOM 0 HE2 PHE A 86 0.653 7.887 -6.297 1.00 0.00 H new ATOM 0 HZ PHE A 86 1.255 5.949 -4.901 1.00 0.00 H new ATOM 1406 N LYS A 87 -4.642 6.700 -7.598 1.00 0.00 N ATOM 1407 CA LYS A 87 -4.176 6.002 -8.793 1.00 0.00 C ATOM 1408 C LYS A 87 -3.074 6.796 -9.483 1.00 0.00 C ATOM 1409 O LYS A 87 -2.581 7.790 -8.948 1.00 0.00 O ATOM 1410 CB LYS A 87 -5.329 5.764 -9.773 1.00 0.00 C ATOM 1411 CG LYS A 87 -6.663 6.325 -9.308 1.00 0.00 C ATOM 1412 CD LYS A 87 -7.829 5.596 -9.961 1.00 0.00 C ATOM 1413 CE LYS A 87 -7.734 5.635 -11.479 1.00 0.00 C ATOM 1414 NZ LYS A 87 -7.902 7.014 -12.013 1.00 0.00 N ATOM 0 H LYS A 87 -5.317 7.443 -7.780 1.00 0.00 H new ATOM 0 HA LYS A 87 -3.778 5.037 -8.479 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -5.074 6.211 -10.734 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -5.436 4.692 -9.939 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -6.738 6.238 -8.224 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -6.716 7.387 -9.547 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.846 4.560 -9.623 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.767 6.050 -9.643 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -6.767 5.240 -11.792 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -8.497 4.985 -11.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -7.537 7.056 -12.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -8.911 7.267 -12.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -7.376 7.684 -11.416 1.00 0.00 H new ATOM 1428 N SER A 88 -2.694 6.355 -10.676 1.00 0.00 N ATOM 1429 CA SER A 88 -1.651 7.025 -11.442 1.00 0.00 C ATOM 1430 C SER A 88 -2.150 7.375 -12.835 1.00 0.00 C ATOM 1431 O SER A 88 -1.365 7.599 -13.757 1.00 0.00 O ATOM 1432 CB SER A 88 -0.414 6.139 -11.541 1.00 0.00 C ATOM 1433 OG SER A 88 0.617 6.601 -10.687 1.00 0.00 O ATOM 0 H SER A 88 -3.093 5.536 -11.134 1.00 0.00 H new ATOM 0 HA SER A 88 -1.386 7.947 -10.924 1.00 0.00 H new ATOM 0 HB2 SER A 88 -0.676 5.114 -11.278 1.00 0.00 H new ATOM 0 HB3 SER A 88 -0.057 6.123 -12.571 1.00 0.00 H new ATOM 0 HG SER A 88 1.207 5.854 -10.453 1.00 0.00 H new ATOM 1439 N GLY A 89 -3.462 7.416 -12.971 1.00 0.00 N ATOM 1440 CA GLY A 89 -4.073 7.737 -14.246 1.00 0.00 C ATOM 1441 C GLY A 89 -3.403 8.912 -14.930 1.00 0.00 C ATOM 1442 O GLY A 89 -2.923 8.740 -16.072 1.00 0.00 O ATOM 1443 OXT GLY A 89 -3.356 10.003 -14.326 1.00 0.00 O ATOM 0 H GLY A 89 -4.123 7.232 -12.216 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -4.025 6.865 -14.898 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.128 7.963 -14.093 1.00 0.00 H new TER 1447 GLY A 89 ATOM 1448 N MET B 1 25.462 -7.175 7.598 1.00 0.00 N ATOM 1449 CA MET B 1 26.186 -7.025 6.308 1.00 0.00 C ATOM 1450 C MET B 1 26.137 -5.585 5.811 1.00 0.00 C ATOM 1451 O MET B 1 27.173 -4.969 5.559 1.00 0.00 O ATOM 1452 CB MET B 1 25.547 -7.960 5.279 1.00 0.00 C ATOM 1453 CG MET B 1 26.507 -9.003 4.729 1.00 0.00 C ATOM 1454 SD MET B 1 27.647 -9.625 5.980 1.00 0.00 S ATOM 1455 CE MET B 1 28.232 -11.123 5.192 1.00 0.00 C ATOM 0 H1 MET B 1 25.512 -8.165 7.911 1.00 0.00 H new ATOM 0 H2 MET B 1 25.900 -6.562 8.315 1.00 0.00 H new ATOM 0 H3 MET B 1 24.466 -6.902 7.471 1.00 0.00 H new ATOM 0 HA MET B 1 27.234 -7.286 6.455 1.00 0.00 H new ATOM 0 HB2 MET B 1 24.697 -8.466 5.738 1.00 0.00 H new ATOM 0 HB3 MET B 1 25.156 -7.366 4.453 1.00 0.00 H new ATOM 0 HG2 MET B 1 25.936 -9.835 4.317 1.00 0.00 H new ATOM 0 HG3 MET B 1 27.077 -8.569 3.907 1.00 0.00 H new ATOM 0 HE1 MET B 1 28.948 -11.622 5.845 1.00 0.00 H new ATOM 0 HE2 MET B 1 27.389 -11.787 5.002 1.00 0.00 H new ATOM 0 HE3 MET B 1 28.716 -10.872 4.248 1.00 0.00 H new ATOM 1467 N CYS B 2 24.927 -5.051 5.670 1.00 0.00 N ATOM 1468 CA CYS B 2 24.746 -3.682 5.201 1.00 0.00 C ATOM 1469 C CYS B 2 23.511 -3.048 5.828 1.00 0.00 C ATOM 1470 O CYS B 2 22.558 -2.698 5.130 1.00 0.00 O ATOM 1471 CB CYS B 2 24.626 -3.656 3.675 1.00 0.00 C ATOM 1472 SG CYS B 2 24.384 -5.283 2.925 1.00 0.00 S ATOM 0 H CYS B 2 24.058 -5.545 5.874 1.00 0.00 H new ATOM 0 HA CYS B 2 25.620 -3.104 5.502 1.00 0.00 H new ATOM 0 HB2 CYS B 2 23.791 -3.012 3.398 1.00 0.00 H new ATOM 0 HB3 CYS B 2 25.527 -3.206 3.258 1.00 0.00 H new ATOM 0 HG CYS B 2 23.672 -5.161 1.844 1.00 0.00 H new ATOM 1478 N ASP B 3 23.532 -2.898 7.149 1.00 0.00 N ATOM 1479 CA ASP B 3 22.412 -2.302 7.866 1.00 0.00 C ATOM 1480 C ASP B 3 21.109 -3.027 7.531 1.00 0.00 C ATOM 1481 O ASP B 3 20.932 -4.195 7.877 1.00 0.00 O ATOM 1482 CB ASP B 3 22.292 -0.817 7.520 1.00 0.00 C ATOM 1483 CG ASP B 3 21.472 -0.048 8.538 1.00 0.00 C ATOM 1484 OD1 ASP B 3 21.172 -0.617 9.609 1.00 0.00 O ATOM 1485 OD2 ASP B 3 21.129 1.121 8.264 1.00 0.00 O ATOM 0 H ASP B 3 24.311 -3.181 7.743 1.00 0.00 H new ATOM 0 HA ASP B 3 22.597 -2.402 8.935 1.00 0.00 H new ATOM 0 HB2 ASP B 3 23.289 -0.380 7.456 1.00 0.00 H new ATOM 0 HB3 ASP B 3 21.835 -0.712 6.536 1.00 0.00 H new ATOM 1490 N ARG B 4 20.204 -2.328 6.854 1.00 0.00 N ATOM 1491 CA ARG B 4 18.922 -2.907 6.472 1.00 0.00 C ATOM 1492 C ARG B 4 18.206 -3.503 7.680 1.00 0.00 C ATOM 1493 O ARG B 4 18.115 -4.723 7.819 1.00 0.00 O ATOM 1494 CB ARG B 4 19.127 -3.985 5.405 1.00 0.00 C ATOM 1495 CG ARG B 4 17.906 -4.214 4.530 1.00 0.00 C ATOM 1496 CD ARG B 4 18.254 -4.102 3.054 1.00 0.00 C ATOM 1497 NE ARG B 4 18.639 -5.390 2.483 1.00 0.00 N ATOM 1498 CZ ARG B 4 17.807 -6.419 2.359 1.00 0.00 C ATOM 1499 NH1 ARG B 4 16.553 -6.314 2.773 1.00 0.00 N ATOM 1500 NH2 ARG B 4 18.231 -7.556 1.827 1.00 0.00 N ATOM 0 H ARG B 4 20.335 -1.360 6.559 1.00 0.00 H new ATOM 0 HA ARG B 4 18.300 -2.110 6.064 1.00 0.00 H new ATOM 0 HB2 ARG B 4 19.969 -3.703 4.773 1.00 0.00 H new ATOM 0 HB3 ARG B 4 19.395 -4.922 5.894 1.00 0.00 H new ATOM 0 HG2 ARG B 4 17.490 -5.201 4.734 1.00 0.00 H new ATOM 0 HG3 ARG B 4 17.135 -3.485 4.780 1.00 0.00 H new ATOM 0 HD2 ARG B 4 17.398 -3.705 2.509 1.00 0.00 H new ATOM 0 HD3 ARG B 4 19.070 -3.391 2.927 1.00 0.00 H new ATOM 0 HE ARG B 4 19.600 -5.506 2.161 1.00 0.00 H new ATOM 0 HH11 ARG B 4 16.224 -5.442 3.188 1.00 0.00 H new ATOM 0 HH12 ARG B 4 15.916 -7.105 2.677 1.00 0.00 H new ATOM 0 HH21 ARG B 4 19.197 -7.643 1.512 1.00 0.00 H new ATOM 0 HH22 ARG B 4 17.591 -8.345 1.733 1.00 0.00 H new ATOM 1514 N LYS B 5 17.702 -2.637 8.553 1.00 0.00 N ATOM 1515 CA LYS B 5 16.996 -3.083 9.748 1.00 0.00 C ATOM 1516 C LYS B 5 15.492 -3.156 9.502 1.00 0.00 C ATOM 1517 O LYS B 5 14.697 -2.672 10.308 1.00 0.00 O ATOM 1518 CB LYS B 5 17.286 -2.142 10.920 1.00 0.00 C ATOM 1519 CG LYS B 5 16.825 -2.689 12.260 1.00 0.00 C ATOM 1520 CD LYS B 5 17.542 -3.982 12.609 1.00 0.00 C ATOM 1521 CE LYS B 5 18.486 -3.796 13.783 1.00 0.00 C ATOM 1522 NZ LYS B 5 19.402 -4.958 13.951 1.00 0.00 N ATOM 0 H LYS B 5 17.769 -1.624 8.455 1.00 0.00 H new ATOM 0 HA LYS B 5 17.353 -4.083 9.995 1.00 0.00 H new ATOM 0 HB2 LYS B 5 18.358 -1.948 10.964 1.00 0.00 H new ATOM 0 HB3 LYS B 5 16.796 -1.185 10.738 1.00 0.00 H new ATOM 0 HG2 LYS B 5 17.008 -1.949 13.039 1.00 0.00 H new ATOM 0 HG3 LYS B 5 15.749 -2.864 12.232 1.00 0.00 H new ATOM 0 HD2 LYS B 5 16.809 -4.752 12.849 1.00 0.00 H new ATOM 0 HD3 LYS B 5 18.102 -4.334 11.743 1.00 0.00 H new ATOM 0 HE2 LYS B 5 19.073 -2.890 13.636 1.00 0.00 H new ATOM 0 HE3 LYS B 5 17.907 -3.656 14.696 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 20.030 -4.791 14.763 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 18.843 -5.819 14.117 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 19.974 -5.077 13.090 1.00 0.00 H new ATOM 1536 N ALA B 6 15.108 -3.764 8.385 1.00 0.00 N ATOM 1537 CA ALA B 6 13.700 -3.900 8.038 1.00 0.00 C ATOM 1538 C ALA B 6 13.337 -5.353 7.757 1.00 0.00 C ATOM 1539 O ALA B 6 14.162 -6.252 7.914 1.00 0.00 O ATOM 1540 CB ALA B 6 13.366 -3.032 6.834 1.00 0.00 C ATOM 0 H ALA B 6 15.752 -4.170 7.706 1.00 0.00 H new ATOM 0 HA ALA B 6 13.111 -3.565 8.892 1.00 0.00 H new ATOM 0 HB1 ALA B 6 12.310 -3.144 6.586 1.00 0.00 H new ATOM 0 HB2 ALA B 6 13.575 -1.988 7.069 1.00 0.00 H new ATOM 0 HB3 ALA B 6 13.973 -3.341 5.983 1.00 0.00 H new ATOM 1546 N VAL B 7 12.096 -5.571 7.341 1.00 0.00 N ATOM 1547 CA VAL B 7 11.613 -6.910 7.034 1.00 0.00 C ATOM 1548 C VAL B 7 10.707 -6.890 5.810 1.00 0.00 C ATOM 1549 O VAL B 7 9.486 -7.009 5.924 1.00 0.00 O ATOM 1550 CB VAL B 7 10.847 -7.516 8.225 1.00 0.00 C ATOM 1551 CG1 VAL B 7 10.339 -8.908 7.882 1.00 0.00 C ATOM 1552 CG2 VAL B 7 11.731 -7.551 9.462 1.00 0.00 C ATOM 0 H VAL B 7 11.404 -4.834 7.208 1.00 0.00 H new ATOM 0 HA VAL B 7 12.486 -7.529 6.827 1.00 0.00 H new ATOM 0 HB VAL B 7 9.985 -6.885 8.440 1.00 0.00 H new ATOM 0 HG11 VAL B 7 9.801 -9.319 8.736 1.00 0.00 H new ATOM 0 HG12 VAL B 7 9.669 -8.850 7.024 1.00 0.00 H new ATOM 0 HG13 VAL B 7 11.183 -9.554 7.640 1.00 0.00 H new ATOM 0 HG21 VAL B 7 11.175 -7.982 10.295 1.00 0.00 H new ATOM 0 HG22 VAL B 7 12.613 -8.159 9.262 1.00 0.00 H new ATOM 0 HG23 VAL B 7 12.039 -6.537 9.718 1.00 0.00 H new ATOM 1562 N ILE B 8 11.316 -6.731 4.641 1.00 0.00 N ATOM 1563 CA ILE B 8 10.575 -6.685 3.388 1.00 0.00 C ATOM 1564 C ILE B 8 9.354 -7.605 3.437 1.00 0.00 C ATOM 1565 O ILE B 8 9.302 -8.558 4.214 1.00 0.00 O ATOM 1566 CB ILE B 8 11.491 -7.048 2.184 1.00 0.00 C ATOM 1567 CG1 ILE B 8 11.965 -5.772 1.489 1.00 0.00 C ATOM 1568 CG2 ILE B 8 10.794 -7.962 1.177 1.00 0.00 C ATOM 1569 CD1 ILE B 8 13.087 -5.067 2.219 1.00 0.00 C ATOM 0 H ILE B 8 12.326 -6.631 4.536 1.00 0.00 H new ATOM 0 HA ILE B 8 10.222 -5.663 3.248 1.00 0.00 H new ATOM 0 HB ILE B 8 12.347 -7.595 2.580 1.00 0.00 H new ATOM 0 HG12 ILE B 8 12.297 -6.019 0.481 1.00 0.00 H new ATOM 0 HG13 ILE B 8 11.122 -5.088 1.388 1.00 0.00 H new ATOM 0 HG21 ILE B 8 11.475 -8.186 0.356 1.00 0.00 H new ATOM 0 HG22 ILE B 8 10.502 -8.890 1.669 1.00 0.00 H new ATOM 0 HG23 ILE B 8 9.907 -7.463 0.786 1.00 0.00 H new ATOM 0 HD11 ILE B 8 13.372 -4.170 1.669 1.00 0.00 H new ATOM 0 HD12 ILE B 8 12.752 -4.788 3.218 1.00 0.00 H new ATOM 0 HD13 ILE B 8 13.946 -5.734 2.297 1.00 0.00 H new ATOM 1581 N LYS B 9 8.382 -7.304 2.585 1.00 0.00 N ATOM 1582 CA LYS B 9 7.155 -8.086 2.497 1.00 0.00 C ATOM 1583 C LYS B 9 6.654 -8.106 1.059 1.00 0.00 C ATOM 1584 O LYS B 9 5.801 -8.914 0.693 1.00 0.00 O ATOM 1585 CB LYS B 9 6.079 -7.499 3.414 1.00 0.00 C ATOM 1586 CG LYS B 9 6.487 -7.439 4.877 1.00 0.00 C ATOM 1587 CD LYS B 9 6.002 -8.660 5.641 1.00 0.00 C ATOM 1588 CE LYS B 9 7.161 -9.543 6.077 1.00 0.00 C ATOM 1589 NZ LYS B 9 6.691 -10.829 6.660 1.00 0.00 N ATOM 0 H LYS B 9 8.421 -6.516 1.939 1.00 0.00 H new ATOM 0 HA LYS B 9 7.369 -9.106 2.817 1.00 0.00 H new ATOM 0 HB2 LYS B 9 5.833 -6.493 3.073 1.00 0.00 H new ATOM 0 HB3 LYS B 9 5.172 -8.097 3.323 1.00 0.00 H new ATOM 0 HG2 LYS B 9 7.572 -7.370 4.951 1.00 0.00 H new ATOM 0 HG3 LYS B 9 6.079 -6.537 5.333 1.00 0.00 H new ATOM 0 HD2 LYS B 9 5.437 -8.341 6.517 1.00 0.00 H new ATOM 0 HD3 LYS B 9 5.321 -9.236 5.014 1.00 0.00 H new ATOM 0 HE2 LYS B 9 7.804 -9.746 5.221 1.00 0.00 H new ATOM 0 HE3 LYS B 9 7.766 -9.011 6.811 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 7.511 -11.402 6.944 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 6.098 -10.637 7.492 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 6.135 -11.349 5.951 1.00 0.00 H new ATOM 1603 N ASN B 10 7.195 -7.202 0.249 1.00 0.00 N ATOM 1604 CA ASN B 10 6.817 -7.094 -1.153 1.00 0.00 C ATOM 1605 C ASN B 10 7.594 -5.971 -1.830 1.00 0.00 C ATOM 1606 O ASN B 10 7.285 -4.794 -1.648 1.00 0.00 O ATOM 1607 CB ASN B 10 5.316 -6.833 -1.276 1.00 0.00 C ATOM 1608 CG ASN B 10 4.557 -8.046 -1.776 1.00 0.00 C ATOM 1609 OD1 ASN B 10 3.336 -8.129 -1.641 1.00 0.00 O ATOM 1610 ND2 ASN B 10 5.280 -8.997 -2.357 1.00 0.00 N ATOM 0 H ASN B 10 7.902 -6.529 0.544 1.00 0.00 H new ATOM 0 HA ASN B 10 7.057 -8.035 -1.648 1.00 0.00 H new ATOM 0 HB2 ASN B 10 4.921 -6.536 -0.305 1.00 0.00 H new ATOM 0 HB3 ASN B 10 5.150 -5.998 -1.957 1.00 0.00 H new ATOM 0 HD21 ASN B 10 4.825 -9.838 -2.713 1.00 0.00 H new ATOM 0 HD22 ASN B 10 6.290 -8.886 -2.448 1.00 0.00 H new ATOM 1617 N ALA B 11 8.613 -6.338 -2.601 1.00 0.00 N ATOM 1618 CA ALA B 11 9.435 -5.349 -3.287 1.00 0.00 C ATOM 1619 C ALA B 11 9.608 -5.679 -4.766 1.00 0.00 C ATOM 1620 O ALA B 11 10.383 -6.564 -5.130 1.00 0.00 O ATOM 1621 CB ALA B 11 10.794 -5.241 -2.613 1.00 0.00 C ATOM 0 H ALA B 11 8.887 -7.307 -2.765 1.00 0.00 H new ATOM 0 HA ALA B 11 8.920 -4.391 -3.222 1.00 0.00 H new ATOM 0 HB1 ALA B 11 11.400 -4.499 -3.133 1.00 0.00 H new ATOM 0 HB2 ALA B 11 10.662 -4.938 -1.574 1.00 0.00 H new ATOM 0 HB3 ALA B 11 11.295 -6.208 -2.648 1.00 0.00 H new ATOM 1627 N ASP B 12 8.896 -4.945 -5.615 1.00 0.00 N ATOM 1628 CA ASP B 12 8.984 -5.140 -7.056 1.00 0.00 C ATOM 1629 C ASP B 12 10.091 -4.269 -7.637 1.00 0.00 C ATOM 1630 O ASP B 12 10.013 -3.824 -8.782 1.00 0.00 O ATOM 1631 CB ASP B 12 7.648 -4.810 -7.724 1.00 0.00 C ATOM 1632 CG ASP B 12 7.484 -5.506 -9.061 1.00 0.00 C ATOM 1633 OD1 ASP B 12 7.159 -6.712 -9.066 1.00 0.00 O ATOM 1634 OD2 ASP B 12 7.681 -4.845 -10.101 1.00 0.00 O ATOM 0 H ASP B 12 8.251 -4.209 -5.328 1.00 0.00 H new ATOM 0 HA ASP B 12 9.219 -6.186 -7.250 1.00 0.00 H new ATOM 0 HB2 ASP B 12 6.832 -5.102 -7.063 1.00 0.00 H new ATOM 0 HB3 ASP B 12 7.572 -3.732 -7.867 1.00 0.00 H new ATOM 1639 N MET B 13 11.119 -4.027 -6.831 1.00 0.00 N ATOM 1640 CA MET B 13 12.247 -3.203 -7.247 1.00 0.00 C ATOM 1641 C MET B 13 13.552 -3.990 -7.175 1.00 0.00 C ATOM 1642 O MET B 13 13.664 -4.957 -6.420 1.00 0.00 O ATOM 1643 CB MET B 13 12.341 -1.962 -6.357 1.00 0.00 C ATOM 1644 CG MET B 13 13.607 -1.150 -6.573 1.00 0.00 C ATOM 1645 SD MET B 13 13.427 0.566 -6.052 1.00 0.00 S ATOM 1646 CE MET B 13 12.986 0.351 -4.329 1.00 0.00 C ATOM 0 H MET B 13 11.194 -4.392 -5.881 1.00 0.00 H new ATOM 0 HA MET B 13 12.085 -2.898 -8.281 1.00 0.00 H new ATOM 0 HB2 MET B 13 11.476 -1.326 -6.543 1.00 0.00 H new ATOM 0 HB3 MET B 13 12.291 -2.270 -5.313 1.00 0.00 H new ATOM 0 HG2 MET B 13 14.427 -1.609 -6.021 1.00 0.00 H new ATOM 0 HG3 MET B 13 13.877 -1.179 -7.629 1.00 0.00 H new ATOM 0 HE1 MET B 13 13.266 1.243 -3.768 1.00 0.00 H new ATOM 0 HE2 MET B 13 11.911 0.192 -4.246 1.00 0.00 H new ATOM 0 HE3 MET B 13 13.513 -0.513 -3.924 1.00 0.00 H new ATOM 1656 N SER B 14 14.540 -3.566 -7.956 1.00 0.00 N ATOM 1657 CA SER B 14 15.839 -4.232 -7.970 1.00 0.00 C ATOM 1658 C SER B 14 16.330 -4.482 -6.545 1.00 0.00 C ATOM 1659 O SER B 14 16.238 -3.608 -5.685 1.00 0.00 O ATOM 1660 CB SER B 14 16.862 -3.389 -8.735 1.00 0.00 C ATOM 1661 OG SER B 14 16.224 -2.523 -9.656 1.00 0.00 O ATOM 0 H SER B 14 14.467 -2.767 -8.586 1.00 0.00 H new ATOM 0 HA SER B 14 15.725 -5.192 -8.474 1.00 0.00 H new ATOM 0 HB2 SER B 14 17.454 -2.804 -8.031 1.00 0.00 H new ATOM 0 HB3 SER B 14 17.553 -4.044 -9.266 1.00 0.00 H new ATOM 0 HG SER B 14 16.900 -1.995 -10.130 1.00 0.00 H new ATOM 1667 N GLU B 15 16.849 -5.683 -6.304 1.00 0.00 N ATOM 1668 CA GLU B 15 17.350 -6.049 -4.982 1.00 0.00 C ATOM 1669 C GLU B 15 18.128 -4.899 -4.348 1.00 0.00 C ATOM 1670 O GLU B 15 17.674 -4.290 -3.377 1.00 0.00 O ATOM 1671 CB GLU B 15 18.240 -7.291 -5.075 1.00 0.00 C ATOM 1672 CG GLU B 15 17.499 -8.535 -5.536 1.00 0.00 C ATOM 1673 CD GLU B 15 16.807 -9.257 -4.397 1.00 0.00 C ATOM 1674 OE1 GLU B 15 16.350 -8.578 -3.453 1.00 0.00 O ATOM 1675 OE2 GLU B 15 16.720 -10.502 -4.449 1.00 0.00 O ATOM 0 H GLU B 15 16.934 -6.418 -7.006 1.00 0.00 H new ATOM 0 HA GLU B 15 16.490 -6.270 -4.349 1.00 0.00 H new ATOM 0 HB2 GLU B 15 19.060 -7.090 -5.764 1.00 0.00 H new ATOM 0 HB3 GLU B 15 18.685 -7.484 -4.099 1.00 0.00 H new ATOM 0 HG2 GLU B 15 16.760 -8.256 -6.287 1.00 0.00 H new ATOM 0 HG3 GLU B 15 18.202 -9.214 -6.018 1.00 0.00 H new ATOM 1682 N GLU B 16 19.301 -4.604 -4.900 1.00 0.00 N ATOM 1683 CA GLU B 16 20.140 -3.528 -4.383 1.00 0.00 C ATOM 1684 C GLU B 16 19.310 -2.280 -4.098 1.00 0.00 C ATOM 1685 O GLU B 16 19.544 -1.578 -3.114 1.00 0.00 O ATOM 1686 CB GLU B 16 21.254 -3.198 -5.378 1.00 0.00 C ATOM 1687 CG GLU B 16 21.958 -4.427 -5.933 1.00 0.00 C ATOM 1688 CD GLU B 16 23.084 -4.906 -5.036 1.00 0.00 C ATOM 1689 OE1 GLU B 16 23.261 -4.327 -3.943 1.00 0.00 O ATOM 1690 OE2 GLU B 16 23.788 -5.859 -5.427 1.00 0.00 O ATOM 0 H GLU B 16 19.692 -5.094 -5.704 1.00 0.00 H new ATOM 0 HA GLU B 16 20.587 -3.867 -3.448 1.00 0.00 H new ATOM 0 HB2 GLU B 16 20.833 -2.626 -6.205 1.00 0.00 H new ATOM 0 HB3 GLU B 16 21.989 -2.558 -4.889 1.00 0.00 H new ATOM 0 HG2 GLU B 16 21.233 -5.231 -6.061 1.00 0.00 H new ATOM 0 HG3 GLU B 16 22.357 -4.198 -6.921 1.00 0.00 H new ATOM 1697 N MET B 17 18.336 -2.012 -4.962 1.00 0.00 N ATOM 1698 CA MET B 17 17.468 -0.852 -4.799 1.00 0.00 C ATOM 1699 C MET B 17 16.615 -0.992 -3.542 1.00 0.00 C ATOM 1700 O MET B 17 16.298 -0.004 -2.880 1.00 0.00 O ATOM 1701 CB MET B 17 16.569 -0.684 -6.026 1.00 0.00 C ATOM 1702 CG MET B 17 17.217 0.103 -7.154 1.00 0.00 C ATOM 1703 SD MET B 17 16.346 1.637 -7.523 1.00 0.00 S ATOM 1704 CE MET B 17 15.955 2.209 -5.872 1.00 0.00 C ATOM 0 H MET B 17 18.128 -2.582 -5.782 1.00 0.00 H new ATOM 0 HA MET B 17 18.096 0.033 -4.697 1.00 0.00 H new ATOM 0 HB2 MET B 17 16.288 -1.669 -6.397 1.00 0.00 H new ATOM 0 HB3 MET B 17 15.649 -0.182 -5.726 1.00 0.00 H new ATOM 0 HG2 MET B 17 18.249 0.331 -6.886 1.00 0.00 H new ATOM 0 HG3 MET B 17 17.250 -0.516 -8.051 1.00 0.00 H new ATOM 0 HE1 MET B 17 15.832 3.292 -5.882 1.00 0.00 H new ATOM 0 HE2 MET B 17 15.030 1.742 -5.535 1.00 0.00 H new ATOM 0 HE3 MET B 17 16.765 1.942 -5.193 1.00 0.00 H new ATOM 1714 N GLN B 18 16.249 -2.228 -3.221 1.00 0.00 N ATOM 1715 CA GLN B 18 15.432 -2.505 -2.044 1.00 0.00 C ATOM 1716 C GLN B 18 16.238 -2.327 -0.762 1.00 0.00 C ATOM 1717 O GLN B 18 15.688 -1.980 0.285 1.00 0.00 O ATOM 1718 CB GLN B 18 14.878 -3.928 -2.108 1.00 0.00 C ATOM 1719 CG GLN B 18 14.808 -4.494 -3.516 1.00 0.00 C ATOM 1720 CD GLN B 18 13.396 -4.863 -3.924 1.00 0.00 C ATOM 1721 OE1 GLN B 18 13.001 -6.026 -3.856 1.00 0.00 O ATOM 1722 NE2 GLN B 18 12.627 -3.869 -4.352 1.00 0.00 N ATOM 0 H GLN B 18 16.505 -3.055 -3.760 1.00 0.00 H new ATOM 0 HA GLN B 18 14.606 -1.794 -2.035 1.00 0.00 H new ATOM 0 HB2 GLN B 18 15.501 -4.579 -1.495 1.00 0.00 H new ATOM 0 HB3 GLN B 18 13.879 -3.939 -1.671 1.00 0.00 H new ATOM 0 HG2 GLN B 18 15.206 -3.762 -4.219 1.00 0.00 H new ATOM 0 HG3 GLN B 18 15.444 -5.377 -3.581 1.00 0.00 H new ATOM 0 HE21 GLN B 18 12.997 -2.919 -4.392 1.00 0.00 H new ATOM 0 HE22 GLN B 18 11.667 -4.055 -4.641 1.00 0.00 H new ATOM 1731 N GLN B 19 17.544 -2.564 -0.847 1.00 0.00 N ATOM 1732 CA GLN B 19 18.415 -2.431 0.310 1.00 0.00 C ATOM 1733 C GLN B 19 18.680 -0.962 0.608 1.00 0.00 C ATOM 1734 O GLN B 19 18.667 -0.535 1.764 1.00 0.00 O ATOM 1735 CB GLN B 19 19.731 -3.189 0.077 1.00 0.00 C ATOM 1736 CG GLN B 19 20.860 -2.334 -0.481 1.00 0.00 C ATOM 1737 CD GLN B 19 22.141 -3.120 -0.678 1.00 0.00 C ATOM 1738 OE1 GLN B 19 22.483 -3.984 0.130 1.00 0.00 O ATOM 1739 NE2 GLN B 19 22.858 -2.826 -1.757 1.00 0.00 N ATOM 0 H GLN B 19 18.019 -2.848 -1.704 1.00 0.00 H new ATOM 0 HA GLN B 19 17.918 -2.869 1.175 1.00 0.00 H new ATOM 0 HB2 GLN B 19 20.056 -3.627 1.021 1.00 0.00 H new ATOM 0 HB3 GLN B 19 19.544 -4.015 -0.610 1.00 0.00 H new ATOM 0 HG2 GLN B 19 20.550 -1.906 -1.434 1.00 0.00 H new ATOM 0 HG3 GLN B 19 21.049 -1.501 0.196 1.00 0.00 H new ATOM 0 HE21 GLN B 19 22.538 -2.103 -2.401 1.00 0.00 H new ATOM 0 HE22 GLN B 19 23.729 -3.324 -1.942 1.00 0.00 H new ATOM 1748 N ASP B 20 18.905 -0.189 -0.447 1.00 0.00 N ATOM 1749 CA ASP B 20 19.158 1.231 -0.298 1.00 0.00 C ATOM 1750 C ASP B 20 17.867 1.952 0.057 1.00 0.00 C ATOM 1751 O ASP B 20 17.878 2.981 0.734 1.00 0.00 O ATOM 1752 CB ASP B 20 19.757 1.810 -1.580 1.00 0.00 C ATOM 1753 CG ASP B 20 21.274 1.798 -1.563 1.00 0.00 C ATOM 1754 OD1 ASP B 20 21.858 0.696 -1.615 1.00 0.00 O ATOM 1755 OD2 ASP B 20 21.876 2.891 -1.497 1.00 0.00 O ATOM 0 H ASP B 20 18.917 -0.524 -1.410 1.00 0.00 H new ATOM 0 HA ASP B 20 19.877 1.375 0.508 1.00 0.00 H new ATOM 0 HB2 ASP B 20 19.401 1.237 -2.436 1.00 0.00 H new ATOM 0 HB3 ASP B 20 19.405 2.833 -1.713 1.00 0.00 H new ATOM 1760 N SER B 21 16.751 1.391 -0.396 1.00 0.00 N ATOM 1761 CA SER B 21 15.442 1.960 -0.121 1.00 0.00 C ATOM 1762 C SER B 21 15.120 1.844 1.362 1.00 0.00 C ATOM 1763 O SER B 21 14.636 2.792 1.981 1.00 0.00 O ATOM 1764 CB SER B 21 14.369 1.247 -0.945 1.00 0.00 C ATOM 1765 OG SER B 21 13.255 2.092 -1.175 1.00 0.00 O ATOM 0 H SER B 21 16.730 0.540 -0.957 1.00 0.00 H new ATOM 0 HA SER B 21 15.456 3.014 -0.399 1.00 0.00 H new ATOM 0 HB2 SER B 21 14.790 0.929 -1.898 1.00 0.00 H new ATOM 0 HB3 SER B 21 14.044 0.347 -0.423 1.00 0.00 H new ATOM 0 HG SER B 21 13.552 3.026 -1.196 1.00 0.00 H new ATOM 1771 N VAL B 22 15.400 0.675 1.926 1.00 0.00 N ATOM 1772 CA VAL B 22 15.148 0.435 3.340 1.00 0.00 C ATOM 1773 C VAL B 22 15.999 1.358 4.205 1.00 0.00 C ATOM 1774 O VAL B 22 15.494 2.000 5.124 1.00 0.00 O ATOM 1775 CB VAL B 22 15.437 -1.026 3.726 1.00 0.00 C ATOM 1776 CG1 VAL B 22 15.093 -1.269 5.187 1.00 0.00 C ATOM 1777 CG2 VAL B 22 14.668 -1.979 2.822 1.00 0.00 C ATOM 0 H VAL B 22 15.801 -0.119 1.427 1.00 0.00 H new ATOM 0 HA VAL B 22 14.092 0.641 3.515 1.00 0.00 H new ATOM 0 HB VAL B 22 16.502 -1.216 3.592 1.00 0.00 H new ATOM 0 HG11 VAL B 22 15.304 -2.307 5.443 1.00 0.00 H new ATOM 0 HG12 VAL B 22 15.693 -0.612 5.816 1.00 0.00 H new ATOM 0 HG13 VAL B 22 14.035 -1.062 5.351 1.00 0.00 H new ATOM 0 HG21 VAL B 22 14.885 -3.008 3.110 1.00 0.00 H new ATOM 0 HG22 VAL B 22 13.599 -1.792 2.922 1.00 0.00 H new ATOM 0 HG23 VAL B 22 14.969 -1.821 1.786 1.00 0.00 H new ATOM 1787 N GLU B 23 17.293 1.424 3.901 1.00 0.00 N ATOM 1788 CA GLU B 23 18.206 2.276 4.652 1.00 0.00 C ATOM 1789 C GLU B 23 17.705 3.715 4.667 1.00 0.00 C ATOM 1790 O GLU B 23 17.759 4.392 5.694 1.00 0.00 O ATOM 1791 CB GLU B 23 19.612 2.219 4.049 1.00 0.00 C ATOM 1792 CG GLU B 23 20.210 0.822 4.020 1.00 0.00 C ATOM 1793 CD GLU B 23 21.677 0.827 3.635 1.00 0.00 C ATOM 1794 OE1 GLU B 23 22.169 1.883 3.187 1.00 0.00 O ATOM 1795 OE2 GLU B 23 22.333 -0.226 3.782 1.00 0.00 O ATOM 0 H GLU B 23 17.730 0.900 3.143 1.00 0.00 H new ATOM 0 HA GLU B 23 18.248 1.908 5.677 1.00 0.00 H new ATOM 0 HB2 GLU B 23 19.578 2.611 3.032 1.00 0.00 H new ATOM 0 HB3 GLU B 23 20.269 2.874 4.621 1.00 0.00 H new ATOM 0 HG2 GLU B 23 20.097 0.361 5.001 1.00 0.00 H new ATOM 0 HG3 GLU B 23 19.654 0.207 3.313 1.00 0.00 H new ATOM 1802 N CYS B 24 17.210 4.175 3.521 1.00 0.00 N ATOM 1803 CA CYS B 24 16.691 5.533 3.406 1.00 0.00 C ATOM 1804 C CYS B 24 15.466 5.710 4.296 1.00 0.00 C ATOM 1805 O CYS B 24 15.287 6.754 4.929 1.00 0.00 O ATOM 1806 CB CYS B 24 16.336 5.847 1.951 1.00 0.00 C ATOM 1807 SG CYS B 24 17.728 5.696 0.805 1.00 0.00 S ATOM 0 H CYS B 24 17.158 3.628 2.661 1.00 0.00 H new ATOM 0 HA CYS B 24 17.465 6.227 3.734 1.00 0.00 H new ATOM 0 HB2 CYS B 24 15.539 5.176 1.629 1.00 0.00 H new ATOM 0 HB3 CYS B 24 15.941 6.861 1.895 1.00 0.00 H new ATOM 0 HG CYS B 24 17.996 4.439 0.611 1.00 0.00 H new ATOM 1813 N ALA B 25 14.640 4.669 4.371 1.00 0.00 N ATOM 1814 CA ALA B 25 13.459 4.707 5.215 1.00 0.00 C ATOM 1815 C ALA B 25 13.912 4.732 6.657 1.00 0.00 C ATOM 1816 O ALA B 25 13.248 5.282 7.536 1.00 0.00 O ATOM 1817 CB ALA B 25 12.565 3.505 4.949 1.00 0.00 C ATOM 0 H ALA B 25 14.769 3.796 3.859 1.00 0.00 H new ATOM 0 HA ALA B 25 12.873 5.599 4.994 1.00 0.00 H new ATOM 0 HB1 ALA B 25 11.687 3.555 5.593 1.00 0.00 H new ATOM 0 HB2 ALA B 25 12.251 3.509 3.905 1.00 0.00 H new ATOM 0 HB3 ALA B 25 13.116 2.588 5.158 1.00 0.00 H new ATOM 1823 N THR B 26 15.082 4.146 6.870 1.00 0.00 N ATOM 1824 CA THR B 26 15.694 4.094 8.179 1.00 0.00 C ATOM 1825 C THR B 26 16.196 5.475 8.567 1.00 0.00 C ATOM 1826 O THR B 26 16.009 5.923 9.698 1.00 0.00 O ATOM 1827 CB THR B 26 16.849 3.099 8.169 1.00 0.00 C ATOM 1828 OG1 THR B 26 16.516 1.947 7.413 1.00 0.00 O ATOM 1829 CG2 THR B 26 17.244 2.642 9.548 1.00 0.00 C ATOM 0 H THR B 26 15.629 3.695 6.137 1.00 0.00 H new ATOM 0 HA THR B 26 14.954 3.769 8.910 1.00 0.00 H new ATOM 0 HB THR B 26 17.688 3.632 7.722 1.00 0.00 H new ATOM 0 HG1 THR B 26 16.374 2.200 6.477 1.00 0.00 H new ATOM 0 HG21 THR B 26 18.071 1.935 9.474 1.00 0.00 H new ATOM 0 HG22 THR B 26 17.554 3.502 10.142 1.00 0.00 H new ATOM 0 HG23 THR B 26 16.394 2.157 10.028 1.00 0.00 H new ATOM 1837 N GLN B 27 16.824 6.154 7.609 1.00 0.00 N ATOM 1838 CA GLN B 27 17.338 7.494 7.842 1.00 0.00 C ATOM 1839 C GLN B 27 16.229 8.378 8.391 1.00 0.00 C ATOM 1840 O GLN B 27 16.416 9.094 9.376 1.00 0.00 O ATOM 1841 CB GLN B 27 17.895 8.085 6.546 1.00 0.00 C ATOM 1842 CG GLN B 27 19.414 8.152 6.512 1.00 0.00 C ATOM 1843 CD GLN B 27 19.953 8.573 5.159 1.00 0.00 C ATOM 1844 OE1 GLN B 27 21.122 8.935 5.028 1.00 0.00 O ATOM 1845 NE2 GLN B 27 19.100 8.529 4.141 1.00 0.00 N ATOM 0 H GLN B 27 16.987 5.796 6.668 1.00 0.00 H new ATOM 0 HA GLN B 27 18.147 7.442 8.570 1.00 0.00 H new ATOM 0 HB2 GLN B 27 17.547 7.486 5.704 1.00 0.00 H new ATOM 0 HB3 GLN B 27 17.492 9.089 6.411 1.00 0.00 H new ATOM 0 HG2 GLN B 27 19.759 8.855 7.270 1.00 0.00 H new ATOM 0 HG3 GLN B 27 19.822 7.176 6.773 1.00 0.00 H new ATOM 0 HE21 GLN B 27 18.139 8.223 4.294 1.00 0.00 H new ATOM 0 HE22 GLN B 27 19.406 8.802 3.207 1.00 0.00 H new ATOM 1854 N ALA B 28 15.067 8.303 7.753 1.00 0.00 N ATOM 1855 CA ALA B 28 13.912 9.079 8.182 1.00 0.00 C ATOM 1856 C ALA B 28 13.271 8.439 9.411 1.00 0.00 C ATOM 1857 O ALA B 28 12.541 9.088 10.158 1.00 0.00 O ATOM 1858 CB ALA B 28 12.899 9.196 7.052 1.00 0.00 C ATOM 0 H ALA B 28 14.901 7.713 6.938 1.00 0.00 H new ATOM 0 HA ALA B 28 14.247 10.082 8.448 1.00 0.00 H new ATOM 0 HB1 ALA B 28 12.042 9.779 7.390 1.00 0.00 H new ATOM 0 HB2 ALA B 28 13.361 9.692 6.199 1.00 0.00 H new ATOM 0 HB3 ALA B 28 12.567 8.201 6.757 1.00 0.00 H new ATOM 1864 N LEU B 29 13.558 7.157 9.614 1.00 0.00 N ATOM 1865 CA LEU B 29 13.019 6.422 10.751 1.00 0.00 C ATOM 1866 C LEU B 29 13.765 6.771 12.034 1.00 0.00 C ATOM 1867 O LEU B 29 13.186 6.775 13.119 1.00 0.00 O ATOM 1868 CB LEU B 29 13.107 4.923 10.496 1.00 0.00 C ATOM 1869 CG LEU B 29 11.963 4.360 9.659 1.00 0.00 C ATOM 1870 CD1 LEU B 29 12.432 3.161 8.861 1.00 0.00 C ATOM 1871 CD2 LEU B 29 10.786 3.987 10.547 1.00 0.00 C ATOM 0 H LEU B 29 14.162 6.606 9.004 1.00 0.00 H new ATOM 0 HA LEU B 29 11.974 6.708 10.872 1.00 0.00 H new ATOM 0 HB2 LEU B 29 14.050 4.707 9.994 1.00 0.00 H new ATOM 0 HB3 LEU B 29 13.130 4.404 11.454 1.00 0.00 H new ATOM 0 HG LEU B 29 11.634 5.130 8.961 1.00 0.00 H new ATOM 0 HD11 LEU B 29 11.604 2.771 8.269 1.00 0.00 H new ATOM 0 HD12 LEU B 29 13.243 3.460 8.197 1.00 0.00 H new ATOM 0 HD13 LEU B 29 12.787 2.387 9.542 1.00 0.00 H new ATOM 0 HD21 LEU B 29 9.979 3.587 9.933 1.00 0.00 H new ATOM 0 HD22 LEU B 29 11.100 3.233 11.269 1.00 0.00 H new ATOM 0 HD23 LEU B 29 10.434 4.873 11.076 1.00 0.00 H new ATOM 1883 N GLU B 30 15.059 7.053 11.902 1.00 0.00 N ATOM 1884 CA GLU B 30 15.889 7.392 13.051 1.00 0.00 C ATOM 1885 C GLU B 30 15.877 8.894 13.322 1.00 0.00 C ATOM 1886 O GLU B 30 16.062 9.329 14.458 1.00 0.00 O ATOM 1887 CB GLU B 30 17.322 6.909 12.823 1.00 0.00 C ATOM 1888 CG GLU B 30 17.664 5.642 13.591 1.00 0.00 C ATOM 1889 CD GLU B 30 19.053 5.683 14.195 1.00 0.00 C ATOM 1890 OE1 GLU B 30 19.373 6.675 14.884 1.00 0.00 O ATOM 1891 OE2 GLU B 30 19.823 4.724 13.979 1.00 0.00 O ATOM 0 H GLU B 30 15.554 7.053 11.010 1.00 0.00 H new ATOM 0 HA GLU B 30 15.475 6.891 13.926 1.00 0.00 H new ATOM 0 HB2 GLU B 30 17.472 6.731 11.758 1.00 0.00 H new ATOM 0 HB3 GLU B 30 18.014 7.699 13.114 1.00 0.00 H new ATOM 0 HG2 GLU B 30 16.931 5.494 14.384 1.00 0.00 H new ATOM 0 HG3 GLU B 30 17.588 4.785 12.922 1.00 0.00 H new ATOM 1898 N LYS B 31 15.656 9.683 12.275 1.00 0.00 N ATOM 1899 CA LYS B 31 15.617 11.135 12.411 1.00 0.00 C ATOM 1900 C LYS B 31 14.237 11.597 12.869 1.00 0.00 C ATOM 1901 O LYS B 31 14.104 12.615 13.549 1.00 0.00 O ATOM 1902 CB LYS B 31 15.989 11.805 11.087 1.00 0.00 C ATOM 1903 CG LYS B 31 17.441 11.591 10.687 1.00 0.00 C ATOM 1904 CD LYS B 31 18.390 11.960 11.818 1.00 0.00 C ATOM 1905 CE LYS B 31 19.831 11.610 11.475 1.00 0.00 C ATOM 1906 NZ LYS B 31 20.038 10.140 11.368 1.00 0.00 N ATOM 0 H LYS B 31 15.502 9.343 11.326 1.00 0.00 H new ATOM 0 HA LYS B 31 16.346 11.427 13.167 1.00 0.00 H new ATOM 0 HB2 LYS B 31 15.342 11.419 10.299 1.00 0.00 H new ATOM 0 HB3 LYS B 31 15.795 12.875 11.163 1.00 0.00 H new ATOM 0 HG2 LYS B 31 17.593 10.548 10.408 1.00 0.00 H new ATOM 0 HG3 LYS B 31 17.670 12.193 9.807 1.00 0.00 H new ATOM 0 HD2 LYS B 31 18.313 13.027 12.025 1.00 0.00 H new ATOM 0 HD3 LYS B 31 18.094 11.437 12.727 1.00 0.00 H new ATOM 0 HE2 LYS B 31 20.105 12.084 10.532 1.00 0.00 H new ATOM 0 HE3 LYS B 31 20.494 12.015 12.240 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 21.056 9.931 11.388 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 19.571 9.665 12.167 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 19.631 9.796 10.475 1.00 0.00 H new ATOM 1920 N TYR B 32 13.214 10.833 12.501 1.00 0.00 N ATOM 1921 CA TYR B 32 11.842 11.149 12.879 1.00 0.00 C ATOM 1922 C TYR B 32 10.999 9.880 12.946 1.00 0.00 C ATOM 1923 O TYR B 32 11.149 8.981 12.118 1.00 0.00 O ATOM 1924 CB TYR B 32 11.209 12.136 11.892 1.00 0.00 C ATOM 1925 CG TYR B 32 12.173 12.706 10.874 1.00 0.00 C ATOM 1926 CD1 TYR B 32 12.940 11.877 10.068 1.00 0.00 C ATOM 1927 CD2 TYR B 32 12.301 14.080 10.711 1.00 0.00 C ATOM 1928 CE1 TYR B 32 13.811 12.397 9.131 1.00 0.00 C ATOM 1929 CE2 TYR B 32 13.170 14.609 9.777 1.00 0.00 C ATOM 1930 CZ TYR B 32 13.922 13.764 8.988 1.00 0.00 C ATOM 1931 OH TYR B 32 14.788 14.287 8.055 1.00 0.00 O ATOM 0 H TYR B 32 13.310 9.987 11.939 1.00 0.00 H new ATOM 0 HA TYR B 32 11.870 11.613 13.865 1.00 0.00 H new ATOM 0 HB2 TYR B 32 10.398 11.634 11.365 1.00 0.00 H new ATOM 0 HB3 TYR B 32 10.764 12.958 12.453 1.00 0.00 H new ATOM 0 HD1 TYR B 32 12.854 10.806 10.175 1.00 0.00 H new ATOM 0 HD2 TYR B 32 11.711 14.745 11.325 1.00 0.00 H new ATOM 0 HE1 TYR B 32 14.402 11.737 8.514 1.00 0.00 H new ATOM 0 HE2 TYR B 32 13.260 15.679 9.665 1.00 0.00 H new ATOM 0 HH TYR B 32 14.745 15.266 8.081 1.00 0.00 H new ATOM 1941 N ASN B 33 10.114 9.810 13.933 1.00 0.00 N ATOM 1942 CA ASN B 33 9.250 8.648 14.100 1.00 0.00 C ATOM 1943 C ASN B 33 7.824 8.963 13.668 1.00 0.00 C ATOM 1944 O ASN B 33 6.865 8.386 14.181 1.00 0.00 O ATOM 1945 CB ASN B 33 9.263 8.178 15.555 1.00 0.00 C ATOM 1946 CG ASN B 33 9.514 6.689 15.676 1.00 0.00 C ATOM 1947 OD1 ASN B 33 8.903 5.886 14.971 1.00 0.00 O ATOM 1948 ND2 ASN B 33 10.419 6.311 16.572 1.00 0.00 N ATOM 0 H ASN B 33 9.976 10.543 14.629 1.00 0.00 H new ATOM 0 HA ASN B 33 9.634 7.849 13.466 1.00 0.00 H new ATOM 0 HB2 ASN B 33 10.034 8.720 16.103 1.00 0.00 H new ATOM 0 HB3 ASN B 33 8.309 8.423 16.022 1.00 0.00 H new ATOM 0 HD21 ASN B 33 10.631 5.321 16.696 1.00 0.00 H new ATOM 0 HD22 ASN B 33 10.902 7.011 17.135 1.00 0.00 H new ATOM 1955 N ILE B 34 7.693 9.880 12.718 1.00 0.00 N ATOM 1956 CA ILE B 34 6.385 10.273 12.210 1.00 0.00 C ATOM 1957 C ILE B 34 6.122 9.647 10.846 1.00 0.00 C ATOM 1958 O ILE B 34 6.628 10.119 9.830 1.00 0.00 O ATOM 1959 CB ILE B 34 6.270 11.805 12.091 1.00 0.00 C ATOM 1960 CG1 ILE B 34 6.936 12.485 13.287 1.00 0.00 C ATOM 1961 CG2 ILE B 34 4.812 12.224 11.980 1.00 0.00 C ATOM 1962 CD1 ILE B 34 6.442 11.974 14.619 1.00 0.00 C ATOM 0 H ILE B 34 8.477 10.366 12.283 1.00 0.00 H new ATOM 0 HA ILE B 34 5.642 9.915 12.923 1.00 0.00 H new ATOM 0 HB ILE B 34 6.786 12.121 11.184 1.00 0.00 H new ATOM 0 HG12 ILE B 34 8.014 12.336 13.226 1.00 0.00 H new ATOM 0 HG13 ILE B 34 6.759 13.559 13.230 1.00 0.00 H new ATOM 0 HG21 ILE B 34 4.751 13.309 11.897 1.00 0.00 H new ATOM 0 HG22 ILE B 34 4.368 11.767 11.096 1.00 0.00 H new ATOM 0 HG23 ILE B 34 4.271 11.897 12.868 1.00 0.00 H new ATOM 0 HD11 ILE B 34 6.956 12.499 15.424 1.00 0.00 H new ATOM 0 HD12 ILE B 34 5.369 12.147 14.700 1.00 0.00 H new ATOM 0 HD13 ILE B 34 6.644 10.906 14.696 1.00 0.00 H new ATOM 1974 N GLU B 35 5.331 8.580 10.833 1.00 0.00 N ATOM 1975 CA GLU B 35 5.004 7.884 9.593 1.00 0.00 C ATOM 1976 C GLU B 35 5.011 8.846 8.408 1.00 0.00 C ATOM 1977 O GLU B 35 5.882 8.769 7.540 1.00 0.00 O ATOM 1978 CB GLU B 35 3.637 7.209 9.710 1.00 0.00 C ATOM 1979 CG GLU B 35 3.568 6.165 10.813 1.00 0.00 C ATOM 1980 CD GLU B 35 2.983 6.715 12.100 1.00 0.00 C ATOM 1981 OE1 GLU B 35 3.749 7.295 12.899 1.00 0.00 O ATOM 1982 OE2 GLU B 35 1.762 6.567 12.307 1.00 0.00 O ATOM 0 H GLU B 35 4.904 8.178 11.667 1.00 0.00 H new ATOM 0 HA GLU B 35 5.765 7.123 9.421 1.00 0.00 H new ATOM 0 HB2 GLU B 35 2.879 7.971 9.894 1.00 0.00 H new ATOM 0 HB3 GLU B 35 3.391 6.738 8.759 1.00 0.00 H new ATOM 0 HG2 GLU B 35 2.964 5.323 10.474 1.00 0.00 H new ATOM 0 HG3 GLU B 35 4.569 5.781 11.008 1.00 0.00 H new ATOM 1989 N LYS B 36 4.040 9.754 8.377 1.00 0.00 N ATOM 1990 CA LYS B 36 3.946 10.728 7.296 1.00 0.00 C ATOM 1991 C LYS B 36 5.290 11.412 7.064 1.00 0.00 C ATOM 1992 O LYS B 36 5.826 11.387 5.957 1.00 0.00 O ATOM 1993 CB LYS B 36 2.875 11.775 7.612 1.00 0.00 C ATOM 1994 CG LYS B 36 2.507 11.848 9.085 1.00 0.00 C ATOM 1995 CD LYS B 36 1.740 13.120 9.405 1.00 0.00 C ATOM 1996 CE LYS B 36 0.279 12.826 9.706 1.00 0.00 C ATOM 1997 NZ LYS B 36 -0.156 13.437 10.992 1.00 0.00 N ATOM 0 H LYS B 36 3.310 9.835 9.085 1.00 0.00 H new ATOM 0 HA LYS B 36 3.665 10.197 6.386 1.00 0.00 H new ATOM 0 HB2 LYS B 36 3.229 12.753 7.286 1.00 0.00 H new ATOM 0 HB3 LYS B 36 1.979 11.551 7.033 1.00 0.00 H new ATOM 0 HG2 LYS B 36 1.904 10.981 9.354 1.00 0.00 H new ATOM 0 HG3 LYS B 36 3.413 11.806 9.690 1.00 0.00 H new ATOM 0 HD2 LYS B 36 2.197 13.616 10.261 1.00 0.00 H new ATOM 0 HD3 LYS B 36 1.808 13.809 8.563 1.00 0.00 H new ATOM 0 HE2 LYS B 36 -0.342 13.206 8.895 1.00 0.00 H new ATOM 0 HE3 LYS B 36 0.126 11.747 9.746 1.00 0.00 H new ATOM 0 HZ1 LYS B 36 -1.158 13.214 11.161 1.00 0.00 H new ATOM 0 HZ2 LYS B 36 0.420 13.056 11.770 1.00 0.00 H new ATOM 0 HZ3 LYS B 36 -0.035 14.469 10.945 1.00 0.00 H new ATOM 2011 N ASP B 37 5.833 12.018 8.116 1.00 0.00 N ATOM 2012 CA ASP B 37 7.118 12.703 8.025 1.00 0.00 C ATOM 2013 C ASP B 37 8.157 11.811 7.358 1.00 0.00 C ATOM 2014 O ASP B 37 8.660 12.125 6.280 1.00 0.00 O ATOM 2015 CB ASP B 37 7.598 13.114 9.420 1.00 0.00 C ATOM 2016 CG ASP B 37 7.765 14.614 9.556 1.00 0.00 C ATOM 2017 OD1 ASP B 37 6.897 15.356 9.048 1.00 0.00 O ATOM 2018 OD2 ASP B 37 8.762 15.047 10.170 1.00 0.00 O ATOM 0 H ASP B 37 5.403 12.049 9.041 1.00 0.00 H new ATOM 0 HA ASP B 37 6.987 13.598 7.416 1.00 0.00 H new ATOM 0 HB2 ASP B 37 6.884 12.762 10.165 1.00 0.00 H new ATOM 0 HB3 ASP B 37 8.549 12.625 9.633 1.00 0.00 H new ATOM 2023 N ILE B 38 8.470 10.696 8.004 1.00 0.00 N ATOM 2024 CA ILE B 38 9.445 9.754 7.474 1.00 0.00 C ATOM 2025 C ILE B 38 9.252 9.556 5.975 1.00 0.00 C ATOM 2026 O ILE B 38 10.211 9.587 5.206 1.00 0.00 O ATOM 2027 CB ILE B 38 9.344 8.390 8.182 1.00 0.00 C ATOM 2028 CG1 ILE B 38 9.400 8.578 9.699 1.00 0.00 C ATOM 2029 CG2 ILE B 38 10.456 7.463 7.716 1.00 0.00 C ATOM 2030 CD1 ILE B 38 8.957 7.358 10.476 1.00 0.00 C ATOM 0 H ILE B 38 8.062 10.422 8.898 1.00 0.00 H new ATOM 0 HA ILE B 38 10.433 10.176 7.657 1.00 0.00 H new ATOM 0 HB ILE B 38 8.389 7.933 7.923 1.00 0.00 H new ATOM 0 HG12 ILE B 38 10.420 8.832 9.988 1.00 0.00 H new ATOM 0 HG13 ILE B 38 8.770 9.423 9.976 1.00 0.00 H new ATOM 0 HG21 ILE B 38 10.368 6.504 8.227 1.00 0.00 H new ATOM 0 HG22 ILE B 38 10.375 7.309 6.640 1.00 0.00 H new ATOM 0 HG23 ILE B 38 11.423 7.910 7.947 1.00 0.00 H new ATOM 0 HD11 ILE B 38 9.023 7.563 11.544 1.00 0.00 H new ATOM 0 HD12 ILE B 38 7.927 7.115 10.216 1.00 0.00 H new ATOM 0 HD13 ILE B 38 9.602 6.515 10.228 1.00 0.00 H new ATOM 2042 N ALA B 39 8.002 9.359 5.567 1.00 0.00 N ATOM 2043 CA ALA B 39 7.681 9.164 4.159 1.00 0.00 C ATOM 2044 C ALA B 39 8.020 10.408 3.346 1.00 0.00 C ATOM 2045 O ALA B 39 8.538 10.314 2.234 1.00 0.00 O ATOM 2046 CB ALA B 39 6.210 8.809 3.995 1.00 0.00 C ATOM 0 H ALA B 39 7.196 9.330 6.192 1.00 0.00 H new ATOM 0 HA ALA B 39 8.285 8.338 3.784 1.00 0.00 H new ATOM 0 HB1 ALA B 39 5.986 8.667 2.938 1.00 0.00 H new ATOM 0 HB2 ALA B 39 5.995 7.889 4.539 1.00 0.00 H new ATOM 0 HB3 ALA B 39 5.594 9.617 4.391 1.00 0.00 H new ATOM 2052 N ALA B 40 7.725 11.575 3.911 1.00 0.00 N ATOM 2053 CA ALA B 40 8.000 12.839 3.241 1.00 0.00 C ATOM 2054 C ALA B 40 9.479 12.965 2.901 1.00 0.00 C ATOM 2055 O ALA B 40 9.860 12.962 1.731 1.00 0.00 O ATOM 2056 CB ALA B 40 7.556 14.004 4.110 1.00 0.00 C ATOM 0 H ALA B 40 7.296 11.670 4.831 1.00 0.00 H new ATOM 0 HA ALA B 40 7.435 12.860 2.309 1.00 0.00 H new ATOM 0 HB1 ALA B 40 7.768 14.942 3.597 1.00 0.00 H new ATOM 0 HB2 ALA B 40 6.486 13.928 4.301 1.00 0.00 H new ATOM 0 HB3 ALA B 40 8.096 13.978 5.056 1.00 0.00 H new ATOM 2062 N HIS B 41 10.310 13.074 3.932 1.00 0.00 N ATOM 2063 CA HIS B 41 11.749 13.200 3.740 1.00 0.00 C ATOM 2064 C HIS B 41 12.251 12.172 2.732 1.00 0.00 C ATOM 2065 O HIS B 41 12.849 12.525 1.716 1.00 0.00 O ATOM 2066 CB HIS B 41 12.488 13.028 5.070 1.00 0.00 C ATOM 2067 CG HIS B 41 11.599 13.126 6.273 1.00 0.00 C ATOM 2068 ND1 HIS B 41 11.632 12.215 7.307 1.00 0.00 N ATOM 2069 CD2 HIS B 41 10.653 14.036 6.605 1.00 0.00 C ATOM 2070 CE1 HIS B 41 10.745 12.560 8.222 1.00 0.00 C ATOM 2071 NE2 HIS B 41 10.138 13.661 7.821 1.00 0.00 N ATOM 0 H HIS B 41 10.012 13.078 4.907 1.00 0.00 H new ATOM 0 HA HIS B 41 11.950 14.199 3.352 1.00 0.00 H new ATOM 0 HB2 HIS B 41 12.986 12.058 5.076 1.00 0.00 H new ATOM 0 HB3 HIS B 41 13.267 13.787 5.143 1.00 0.00 H new ATOM 0 HD1 HIS B 41 12.246 11.402 7.357 1.00 0.00 H new ATOM 0 HD2 HIS B 41 10.359 14.896 6.022 1.00 0.00 H new ATOM 0 HE1 HIS B 41 10.549 12.031 9.143 1.00 0.00 H new ATOM 2080 N ILE B 42 12.001 10.899 3.019 1.00 0.00 N ATOM 2081 CA ILE B 42 12.426 9.821 2.136 1.00 0.00 C ATOM 2082 C ILE B 42 12.144 10.168 0.679 1.00 0.00 C ATOM 2083 O ILE B 42 13.063 10.414 -0.102 1.00 0.00 O ATOM 2084 CB ILE B 42 11.718 8.496 2.480 1.00 0.00 C ATOM 2085 CG1 ILE B 42 11.991 8.104 3.933 1.00 0.00 C ATOM 2086 CG2 ILE B 42 12.172 7.393 1.534 1.00 0.00 C ATOM 2087 CD1 ILE B 42 11.167 6.923 4.407 1.00 0.00 C ATOM 0 H ILE B 42 11.507 10.589 3.856 1.00 0.00 H new ATOM 0 HA ILE B 42 13.499 9.697 2.281 1.00 0.00 H new ATOM 0 HB ILE B 42 10.644 8.635 2.359 1.00 0.00 H new ATOM 0 HG12 ILE B 42 13.049 7.866 4.044 1.00 0.00 H new ATOM 0 HG13 ILE B 42 11.787 8.960 4.576 1.00 0.00 H new ATOM 0 HG21 ILE B 42 11.664 6.463 1.789 1.00 0.00 H new ATOM 0 HG22 ILE B 42 11.929 7.670 0.508 1.00 0.00 H new ATOM 0 HG23 ILE B 42 13.249 7.255 1.627 1.00 0.00 H new ATOM 0 HD11 ILE B 42 11.413 6.701 5.446 1.00 0.00 H new ATOM 0 HD12 ILE B 42 10.107 7.164 4.329 1.00 0.00 H new ATOM 0 HD13 ILE B 42 11.388 6.053 3.788 1.00 0.00 H new ATOM 2099 N LYS B 43 10.865 10.188 0.321 1.00 0.00 N ATOM 2100 CA LYS B 43 10.451 10.504 -1.042 1.00 0.00 C ATOM 2101 C LYS B 43 11.336 11.586 -1.654 1.00 0.00 C ATOM 2102 O LYS B 43 11.808 11.452 -2.783 1.00 0.00 O ATOM 2103 CB LYS B 43 8.989 10.958 -1.053 1.00 0.00 C ATOM 2104 CG LYS B 43 8.418 11.141 -2.449 1.00 0.00 C ATOM 2105 CD LYS B 43 8.944 12.408 -3.102 1.00 0.00 C ATOM 2106 CE LYS B 43 7.899 13.048 -4.001 1.00 0.00 C ATOM 2107 NZ LYS B 43 6.512 12.732 -3.559 1.00 0.00 N ATOM 0 H LYS B 43 10.094 9.988 0.958 1.00 0.00 H new ATOM 0 HA LYS B 43 10.555 9.601 -1.644 1.00 0.00 H new ATOM 0 HB2 LYS B 43 8.386 10.226 -0.516 1.00 0.00 H new ATOM 0 HB3 LYS B 43 8.906 11.899 -0.509 1.00 0.00 H new ATOM 0 HG2 LYS B 43 8.675 10.279 -3.065 1.00 0.00 H new ATOM 0 HG3 LYS B 43 7.330 11.182 -2.396 1.00 0.00 H new ATOM 0 HD2 LYS B 43 9.246 13.117 -2.331 1.00 0.00 H new ATOM 0 HD3 LYS B 43 9.834 12.175 -3.686 1.00 0.00 H new ATOM 0 HE2 LYS B 43 8.040 14.129 -4.008 1.00 0.00 H new ATOM 0 HE3 LYS B 43 8.041 12.702 -5.025 1.00 0.00 H new ATOM 0 HZ1 LYS B 43 5.849 13.409 -3.987 1.00 0.00 H new ATOM 0 HZ2 LYS B 43 6.264 11.767 -3.858 1.00 0.00 H new ATOM 0 HZ3 LYS B 43 6.454 12.799 -2.523 1.00 0.00 H new ATOM 2121 N LYS B 44 11.552 12.663 -0.905 1.00 0.00 N ATOM 2122 CA LYS B 44 12.372 13.774 -1.374 1.00 0.00 C ATOM 2123 C LYS B 44 13.793 13.323 -1.701 1.00 0.00 C ATOM 2124 O LYS B 44 14.350 13.693 -2.734 1.00 0.00 O ATOM 2125 CB LYS B 44 12.408 14.883 -0.322 1.00 0.00 C ATOM 2126 CG LYS B 44 11.062 15.142 0.336 1.00 0.00 C ATOM 2127 CD LYS B 44 10.608 16.578 0.129 1.00 0.00 C ATOM 2128 CE LYS B 44 10.799 17.410 1.386 1.00 0.00 C ATOM 2129 NZ LYS B 44 9.942 16.933 2.507 1.00 0.00 N ATOM 0 H LYS B 44 11.169 12.790 0.032 1.00 0.00 H new ATOM 0 HA LYS B 44 11.920 14.156 -2.290 1.00 0.00 H new ATOM 0 HB2 LYS B 44 13.134 14.619 0.447 1.00 0.00 H new ATOM 0 HB3 LYS B 44 12.758 15.804 -0.789 1.00 0.00 H new ATOM 0 HG2 LYS B 44 10.317 14.461 -0.076 1.00 0.00 H new ATOM 0 HG3 LYS B 44 11.131 14.931 1.403 1.00 0.00 H new ATOM 0 HD2 LYS B 44 11.170 17.023 -0.692 1.00 0.00 H new ATOM 0 HD3 LYS B 44 9.557 16.590 -0.160 1.00 0.00 H new ATOM 0 HE2 LYS B 44 11.845 17.374 1.689 1.00 0.00 H new ATOM 0 HE3 LYS B 44 10.566 18.452 1.170 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 9.725 17.728 3.141 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 9.057 16.543 2.125 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 10.445 16.194 3.039 1.00 0.00 H new ATOM 2143 N GLU B 45 14.376 12.529 -0.812 1.00 0.00 N ATOM 2144 CA GLU B 45 15.736 12.036 -1.000 1.00 0.00 C ATOM 2145 C GLU B 45 15.808 11.025 -2.141 1.00 0.00 C ATOM 2146 O GLU B 45 16.689 11.105 -2.998 1.00 0.00 O ATOM 2147 CB GLU B 45 16.250 11.399 0.293 1.00 0.00 C ATOM 2148 CG GLU B 45 15.704 12.056 1.551 1.00 0.00 C ATOM 2149 CD GLU B 45 16.764 12.251 2.617 1.00 0.00 C ATOM 2150 OE1 GLU B 45 17.613 13.152 2.451 1.00 0.00 O ATOM 2151 OE2 GLU B 45 16.746 11.504 3.618 1.00 0.00 O ATOM 0 H GLU B 45 13.928 12.212 0.048 1.00 0.00 H new ATOM 0 HA GLU B 45 16.367 12.886 -1.260 1.00 0.00 H new ATOM 0 HB2 GLU B 45 15.983 10.342 0.299 1.00 0.00 H new ATOM 0 HB3 GLU B 45 17.339 11.453 0.308 1.00 0.00 H new ATOM 0 HG2 GLU B 45 15.272 13.023 1.293 1.00 0.00 H new ATOM 0 HG3 GLU B 45 14.897 11.444 1.954 1.00 0.00 H new ATOM 2158 N PHE B 46 14.881 10.075 -2.145 1.00 0.00 N ATOM 2159 CA PHE B 46 14.846 9.048 -3.181 1.00 0.00 C ATOM 2160 C PHE B 46 14.653 9.669 -4.558 1.00 0.00 C ATOM 2161 O PHE B 46 15.166 9.162 -5.557 1.00 0.00 O ATOM 2162 CB PHE B 46 13.724 8.048 -2.899 1.00 0.00 C ATOM 2163 CG PHE B 46 14.218 6.656 -2.635 1.00 0.00 C ATOM 2164 CD1 PHE B 46 14.715 5.876 -3.668 1.00 0.00 C ATOM 2165 CD2 PHE B 46 14.184 6.126 -1.357 1.00 0.00 C ATOM 2166 CE1 PHE B 46 15.170 4.594 -3.429 1.00 0.00 C ATOM 2167 CE2 PHE B 46 14.637 4.844 -1.112 1.00 0.00 C ATOM 2168 CZ PHE B 46 15.131 4.078 -2.149 1.00 0.00 C ATOM 0 H PHE B 46 14.144 9.994 -1.444 1.00 0.00 H new ATOM 0 HA PHE B 46 15.802 8.525 -3.170 1.00 0.00 H new ATOM 0 HB2 PHE B 46 13.150 8.391 -2.038 1.00 0.00 H new ATOM 0 HB3 PHE B 46 13.043 8.028 -3.750 1.00 0.00 H new ATOM 0 HD1 PHE B 46 14.747 6.275 -4.671 1.00 0.00 H new ATOM 0 HD2 PHE B 46 13.799 6.721 -0.542 1.00 0.00 H new ATOM 0 HE1 PHE B 46 15.556 3.996 -4.242 1.00 0.00 H new ATOM 0 HE2 PHE B 46 14.605 4.441 -0.110 1.00 0.00 H new ATOM 0 HZ PHE B 46 15.487 3.076 -1.959 1.00 0.00 H new ATOM 2178 N ASP B 47 13.913 10.769 -4.606 1.00 0.00 N ATOM 2179 CA ASP B 47 13.658 11.460 -5.863 1.00 0.00 C ATOM 2180 C ASP B 47 14.909 12.185 -6.343 1.00 0.00 C ATOM 2181 O ASP B 47 15.321 12.039 -7.494 1.00 0.00 O ATOM 2182 CB ASP B 47 12.504 12.452 -5.699 1.00 0.00 C ATOM 2183 CG ASP B 47 12.984 13.849 -5.360 1.00 0.00 C ATOM 2184 OD1 ASP B 47 13.663 14.466 -6.206 1.00 0.00 O ATOM 2185 OD2 ASP B 47 12.680 14.326 -4.246 1.00 0.00 O ATOM 0 H ASP B 47 13.479 11.201 -3.790 1.00 0.00 H new ATOM 0 HA ASP B 47 13.381 10.717 -6.611 1.00 0.00 H new ATOM 0 HB2 ASP B 47 11.923 12.484 -6.621 1.00 0.00 H new ATOM 0 HB3 ASP B 47 11.835 12.100 -4.913 1.00 0.00 H new ATOM 2190 N LYS B 48 15.515 12.962 -5.453 1.00 0.00 N ATOM 2191 CA LYS B 48 16.723 13.708 -5.787 1.00 0.00 C ATOM 2192 C LYS B 48 17.923 12.774 -5.914 1.00 0.00 C ATOM 2193 O LYS B 48 18.913 13.107 -6.565 1.00 0.00 O ATOM 2194 CB LYS B 48 17.000 14.771 -4.722 1.00 0.00 C ATOM 2195 CG LYS B 48 16.308 16.097 -4.992 1.00 0.00 C ATOM 2196 CD LYS B 48 17.132 16.975 -5.917 1.00 0.00 C ATOM 2197 CE LYS B 48 17.341 16.315 -7.269 1.00 0.00 C ATOM 2198 NZ LYS B 48 16.283 16.697 -8.243 1.00 0.00 N ATOM 0 H LYS B 48 15.190 13.092 -4.495 1.00 0.00 H new ATOM 0 HA LYS B 48 16.564 14.197 -6.748 1.00 0.00 H new ATOM 0 HB2 LYS B 48 16.678 14.394 -3.751 1.00 0.00 H new ATOM 0 HB3 LYS B 48 18.075 14.938 -4.658 1.00 0.00 H new ATOM 0 HG2 LYS B 48 15.330 15.914 -5.437 1.00 0.00 H new ATOM 0 HG3 LYS B 48 16.137 16.618 -4.050 1.00 0.00 H new ATOM 0 HD2 LYS B 48 16.631 17.934 -6.052 1.00 0.00 H new ATOM 0 HD3 LYS B 48 18.099 17.182 -5.458 1.00 0.00 H new ATOM 0 HE2 LYS B 48 18.317 16.598 -7.664 1.00 0.00 H new ATOM 0 HE3 LYS B 48 17.348 15.232 -7.147 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 16.462 16.226 -9.153 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 15.354 16.405 -7.879 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 16.293 17.728 -8.379 1.00 0.00 H new ATOM 2212 N LYS B 49 17.828 11.606 -5.286 1.00 0.00 N ATOM 2213 CA LYS B 49 18.907 10.627 -5.326 1.00 0.00 C ATOM 2214 C LYS B 49 18.739 9.668 -6.502 1.00 0.00 C ATOM 2215 O LYS B 49 19.715 9.109 -7.002 1.00 0.00 O ATOM 2216 CB LYS B 49 18.953 9.838 -4.017 1.00 0.00 C ATOM 2217 CG LYS B 49 20.364 9.557 -3.526 1.00 0.00 C ATOM 2218 CD LYS B 49 20.811 8.149 -3.882 1.00 0.00 C ATOM 2219 CE LYS B 49 21.854 8.156 -4.986 1.00 0.00 C ATOM 2220 NZ LYS B 49 21.742 6.959 -5.864 1.00 0.00 N ATOM 0 H LYS B 49 17.015 11.315 -4.744 1.00 0.00 H new ATOM 0 HA LYS B 49 19.845 11.167 -5.455 1.00 0.00 H new ATOM 0 HB2 LYS B 49 18.414 10.392 -3.249 1.00 0.00 H new ATOM 0 HB3 LYS B 49 18.430 8.892 -4.154 1.00 0.00 H new ATOM 0 HG2 LYS B 49 21.053 10.279 -3.964 1.00 0.00 H new ATOM 0 HG3 LYS B 49 20.407 9.690 -2.445 1.00 0.00 H new ATOM 0 HD2 LYS B 49 21.220 7.662 -2.997 1.00 0.00 H new ATOM 0 HD3 LYS B 49 19.949 7.562 -4.199 1.00 0.00 H new ATOM 0 HE2 LYS B 49 21.741 9.058 -5.587 1.00 0.00 H new ATOM 0 HE3 LYS B 49 22.850 8.190 -4.544 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 22.471 7.002 -6.604 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 21.875 6.098 -5.296 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 20.801 6.940 -6.306 1.00 0.00 H new ATOM 2234 N TYR B 50 17.497 9.478 -6.935 1.00 0.00 N ATOM 2235 CA TYR B 50 17.207 8.579 -8.046 1.00 0.00 C ATOM 2236 C TYR B 50 16.537 9.323 -9.197 1.00 0.00 C ATOM 2237 O TYR B 50 17.104 9.444 -10.283 1.00 0.00 O ATOM 2238 CB TYR B 50 16.313 7.430 -7.574 1.00 0.00 C ATOM 2239 CG TYR B 50 16.910 6.629 -6.437 1.00 0.00 C ATOM 2240 CD1 TYR B 50 17.020 7.169 -5.161 1.00 0.00 C ATOM 2241 CD2 TYR B 50 17.369 5.332 -6.640 1.00 0.00 C ATOM 2242 CE1 TYR B 50 17.569 6.443 -4.123 1.00 0.00 C ATOM 2243 CE2 TYR B 50 17.918 4.600 -5.605 1.00 0.00 C ATOM 2244 CZ TYR B 50 18.016 5.160 -4.349 1.00 0.00 C ATOM 2245 OH TYR B 50 18.564 4.434 -3.317 1.00 0.00 O ATOM 0 H TYR B 50 16.677 9.933 -6.535 1.00 0.00 H new ATOM 0 HA TYR B 50 18.152 8.174 -8.408 1.00 0.00 H new ATOM 0 HB2 TYR B 50 15.352 7.835 -7.257 1.00 0.00 H new ATOM 0 HB3 TYR B 50 16.117 6.764 -8.414 1.00 0.00 H new ATOM 0 HD1 TYR B 50 16.670 8.174 -4.978 1.00 0.00 H new ATOM 0 HD2 TYR B 50 17.295 4.890 -7.623 1.00 0.00 H new ATOM 0 HE1 TYR B 50 17.648 6.879 -3.138 1.00 0.00 H new ATOM 0 HE2 TYR B 50 18.269 3.594 -5.779 1.00 0.00 H new ATOM 0 HH TYR B 50 17.847 4.067 -2.758 1.00 0.00 H new ATOM 2255 N ASN B 51 15.326 9.818 -8.950 1.00 0.00 N ATOM 2256 CA ASN B 51 14.568 10.546 -9.958 1.00 0.00 C ATOM 2257 C ASN B 51 13.089 10.561 -9.587 1.00 0.00 C ATOM 2258 O ASN B 51 12.422 9.528 -9.631 1.00 0.00 O ATOM 2259 CB ASN B 51 14.753 9.912 -11.338 1.00 0.00 C ATOM 2260 CG ASN B 51 14.076 10.712 -12.434 1.00 0.00 C ATOM 2261 OD1 ASN B 51 12.853 10.689 -12.572 1.00 0.00 O ATOM 2262 ND2 ASN B 51 14.872 11.429 -13.221 1.00 0.00 N ATOM 0 H ASN B 51 14.849 9.726 -8.053 1.00 0.00 H new ATOM 0 HA ASN B 51 14.940 11.570 -9.996 1.00 0.00 H new ATOM 0 HB2 ASN B 51 15.817 9.828 -11.557 1.00 0.00 H new ATOM 0 HB3 ASN B 51 14.349 8.900 -11.328 1.00 0.00 H new ATOM 0 HD21 ASN B 51 14.474 11.989 -13.975 1.00 0.00 H new ATOM 0 HD22 ASN B 51 15.881 11.419 -13.071 1.00 0.00 H new ATOM 2269 N PRO B 52 12.554 11.732 -9.204 1.00 0.00 N ATOM 2270 CA PRO B 52 11.149 11.865 -8.816 1.00 0.00 C ATOM 2271 C PRO B 52 10.202 11.120 -9.760 1.00 0.00 C ATOM 2272 O PRO B 52 10.494 10.981 -10.947 1.00 0.00 O ATOM 2273 CB PRO B 52 10.919 13.368 -8.898 1.00 0.00 C ATOM 2274 CG PRO B 52 12.237 13.959 -8.548 1.00 0.00 C ATOM 2275 CD PRO B 52 13.272 13.022 -9.112 1.00 0.00 C ATOM 0 HA PRO B 52 10.949 11.435 -7.834 1.00 0.00 H new ATOM 0 HB2 PRO B 52 10.601 13.668 -9.896 1.00 0.00 H new ATOM 0 HB3 PRO B 52 10.142 13.690 -8.205 1.00 0.00 H new ATOM 0 HG2 PRO B 52 12.342 14.958 -8.972 1.00 0.00 H new ATOM 0 HG3 PRO B 52 12.346 14.058 -7.468 1.00 0.00 H new ATOM 0 HD2 PRO B 52 13.626 13.355 -10.088 1.00 0.00 H new ATOM 0 HD3 PRO B 52 14.145 12.950 -8.463 1.00 0.00 H new ATOM 2283 N THR B 53 9.062 10.639 -9.239 1.00 0.00 N ATOM 2284 CA THR B 53 8.702 10.797 -7.829 1.00 0.00 C ATOM 2285 C THR B 53 8.394 9.444 -7.201 1.00 0.00 C ATOM 2286 O THR B 53 7.741 8.599 -7.812 1.00 0.00 O ATOM 2287 CB THR B 53 7.499 11.731 -7.685 1.00 0.00 C ATOM 2288 OG1 THR B 53 6.658 11.306 -6.629 1.00 0.00 O ATOM 2289 CG2 THR B 53 6.657 11.819 -8.939 1.00 0.00 C ATOM 0 H THR B 53 8.367 10.131 -9.786 1.00 0.00 H new ATOM 0 HA THR B 53 9.551 11.238 -7.307 1.00 0.00 H new ATOM 0 HB THR B 53 7.920 12.716 -7.481 1.00 0.00 H new ATOM 0 HG1 THR B 53 7.200 11.122 -5.833 1.00 0.00 H new ATOM 0 HG21 THR B 53 5.821 12.497 -8.769 1.00 0.00 H new ATOM 0 HG22 THR B 53 7.267 12.194 -9.761 1.00 0.00 H new ATOM 0 HG23 THR B 53 6.276 10.830 -9.192 1.00 0.00 H new ATOM 2297 N TRP B 54 8.879 9.242 -5.981 1.00 0.00 N ATOM 2298 CA TRP B 54 8.666 7.983 -5.275 1.00 0.00 C ATOM 2299 C TRP B 54 7.463 8.053 -4.342 1.00 0.00 C ATOM 2300 O TRP B 54 7.418 8.873 -3.425 1.00 0.00 O ATOM 2301 CB TRP B 54 9.913 7.610 -4.472 1.00 0.00 C ATOM 2302 CG TRP B 54 11.119 7.358 -5.323 1.00 0.00 C ATOM 2303 CD1 TRP B 54 11.778 8.267 -6.099 1.00 0.00 C ATOM 2304 CD2 TRP B 54 11.811 6.115 -5.482 1.00 0.00 C ATOM 2305 NE1 TRP B 54 12.839 7.666 -6.731 1.00 0.00 N ATOM 2306 CE2 TRP B 54 12.880 6.345 -6.370 1.00 0.00 C ATOM 2307 CE3 TRP B 54 11.632 4.831 -4.961 1.00 0.00 C ATOM 2308 CZ2 TRP B 54 13.765 5.338 -6.746 1.00 0.00 C ATOM 2309 CZ3 TRP B 54 12.511 3.832 -5.335 1.00 0.00 C ATOM 2310 CH2 TRP B 54 13.566 4.090 -6.220 1.00 0.00 C ATOM 0 H TRP B 54 9.421 9.932 -5.461 1.00 0.00 H new ATOM 0 HA TRP B 54 8.468 7.218 -6.026 1.00 0.00 H new ATOM 0 HB2 TRP B 54 10.136 8.412 -3.769 1.00 0.00 H new ATOM 0 HB3 TRP B 54 9.702 6.718 -3.882 1.00 0.00 H new ATOM 0 HD1 TRP B 54 11.505 9.307 -6.201 1.00 0.00 H new ATOM 0 HE1 TRP B 54 13.490 8.128 -7.366 1.00 0.00 H new ATOM 0 HE3 TRP B 54 10.821 4.623 -4.278 1.00 0.00 H new ATOM 0 HZ2 TRP B 54 14.579 5.534 -7.428 1.00 0.00 H new ATOM 0 HZ3 TRP B 54 12.382 2.836 -4.938 1.00 0.00 H new ATOM 0 HH2 TRP B 54 14.236 3.288 -6.493 1.00 0.00 H new ATOM 2321 N HIS B 55 6.500 7.166 -4.570 1.00 0.00 N ATOM 2322 CA HIS B 55 5.306 7.099 -3.739 1.00 0.00 C ATOM 2323 C HIS B 55 5.538 6.118 -2.596 1.00 0.00 C ATOM 2324 O HIS B 55 5.424 4.906 -2.778 1.00 0.00 O ATOM 2325 CB HIS B 55 4.102 6.658 -4.575 1.00 0.00 C ATOM 2326 CG HIS B 55 4.013 7.337 -5.909 1.00 0.00 C ATOM 2327 ND1 HIS B 55 5.096 7.489 -6.751 1.00 0.00 N ATOM 2328 CD2 HIS B 55 2.961 7.899 -6.548 1.00 0.00 C ATOM 2329 CE1 HIS B 55 4.712 8.118 -7.848 1.00 0.00 C ATOM 2330 NE2 HIS B 55 3.422 8.378 -7.749 1.00 0.00 N ATOM 0 H HIS B 55 6.525 6.482 -5.326 1.00 0.00 H new ATOM 0 HA HIS B 55 5.099 8.088 -3.330 1.00 0.00 H new ATOM 0 HB2 HIS B 55 4.153 5.580 -4.729 1.00 0.00 H new ATOM 0 HB3 HIS B 55 3.189 6.857 -4.014 1.00 0.00 H new ATOM 0 HD2 HIS B 55 1.947 7.959 -6.181 1.00 0.00 H new ATOM 0 HE1 HIS B 55 5.346 8.375 -8.683 1.00 0.00 H new ATOM 0 HE2 HIS B 55 2.859 8.857 -8.451 1.00 0.00 H new ATOM 2339 N CYS B 56 5.893 6.641 -1.427 1.00 0.00 N ATOM 2340 CA CYS B 56 6.173 5.790 -0.276 1.00 0.00 C ATOM 2341 C CYS B 56 5.155 5.973 0.845 1.00 0.00 C ATOM 2342 O CYS B 56 4.690 7.082 1.111 1.00 0.00 O ATOM 2343 CB CYS B 56 7.578 6.078 0.257 1.00 0.00 C ATOM 2344 SG CYS B 56 8.601 7.068 -0.857 1.00 0.00 S ATOM 0 H CYS B 56 5.993 7.641 -1.252 1.00 0.00 H new ATOM 0 HA CYS B 56 6.105 4.757 -0.617 1.00 0.00 H new ATOM 0 HB2 CYS B 56 7.493 6.596 1.212 1.00 0.00 H new ATOM 0 HB3 CYS B 56 8.082 5.131 0.451 1.00 0.00 H new ATOM 0 HG CYS B 56 9.607 7.562 -0.198 1.00 0.00 H new ATOM 2350 N ILE B 57 4.837 4.866 1.510 1.00 0.00 N ATOM 2351 CA ILE B 57 3.899 4.872 2.627 1.00 0.00 C ATOM 2352 C ILE B 57 4.504 4.143 3.822 1.00 0.00 C ATOM 2353 O ILE B 57 4.461 2.916 3.899 1.00 0.00 O ATOM 2354 CB ILE B 57 2.560 4.198 2.263 1.00 0.00 C ATOM 2355 CG1 ILE B 57 1.979 4.799 0.976 1.00 0.00 C ATOM 2356 CG2 ILE B 57 1.572 4.330 3.416 1.00 0.00 C ATOM 2357 CD1 ILE B 57 1.968 6.312 0.951 1.00 0.00 C ATOM 0 H ILE B 57 5.219 3.946 1.292 1.00 0.00 H new ATOM 0 HA ILE B 57 3.704 5.915 2.875 1.00 0.00 H new ATOM 0 HB ILE B 57 2.744 3.138 2.085 1.00 0.00 H new ATOM 0 HG12 ILE B 57 2.556 4.436 0.126 1.00 0.00 H new ATOM 0 HG13 ILE B 57 0.959 4.437 0.847 1.00 0.00 H new ATOM 0 HG21 ILE B 57 0.631 3.850 3.146 1.00 0.00 H new ATOM 0 HG22 ILE B 57 1.983 3.849 4.304 1.00 0.00 H new ATOM 0 HG23 ILE B 57 1.394 5.385 3.624 1.00 0.00 H new ATOM 0 HD11 ILE B 57 1.543 6.657 0.009 1.00 0.00 H new ATOM 0 HD12 ILE B 57 1.366 6.685 1.779 1.00 0.00 H new ATOM 0 HD13 ILE B 57 2.988 6.685 1.047 1.00 0.00 H new ATOM 2369 N VAL B 58 5.078 4.904 4.747 1.00 0.00 N ATOM 2370 CA VAL B 58 5.702 4.322 5.930 1.00 0.00 C ATOM 2371 C VAL B 58 4.771 4.378 7.133 1.00 0.00 C ATOM 2372 O VAL B 58 4.217 5.427 7.456 1.00 0.00 O ATOM 2373 CB VAL B 58 7.021 5.033 6.281 1.00 0.00 C ATOM 2374 CG1 VAL B 58 6.812 6.535 6.359 1.00 0.00 C ATOM 2375 CG2 VAL B 58 7.585 4.497 7.588 1.00 0.00 C ATOM 0 H VAL B 58 5.124 5.922 4.701 1.00 0.00 H new ATOM 0 HA VAL B 58 5.914 3.280 5.689 1.00 0.00 H new ATOM 0 HB VAL B 58 7.744 4.831 5.490 1.00 0.00 H new ATOM 0 HG11 VAL B 58 7.755 7.021 6.608 1.00 0.00 H new ATOM 0 HG12 VAL B 58 6.457 6.903 5.397 1.00 0.00 H new ATOM 0 HG13 VAL B 58 6.073 6.760 7.128 1.00 0.00 H new ATOM 0 HG21 VAL B 58 8.518 5.011 7.820 1.00 0.00 H new ATOM 0 HG22 VAL B 58 6.867 4.667 8.391 1.00 0.00 H new ATOM 0 HG23 VAL B 58 7.775 3.428 7.491 1.00 0.00 H new ATOM 2385 N GLY B 59 4.609 3.238 7.794 1.00 0.00 N ATOM 2386 CA GLY B 59 3.750 3.168 8.957 1.00 0.00 C ATOM 2387 C GLY B 59 4.283 2.210 9.999 1.00 0.00 C ATOM 2388 O GLY B 59 5.494 2.107 10.193 1.00 0.00 O ATOM 0 H GLY B 59 5.060 2.358 7.543 1.00 0.00 H new ATOM 0 HA2 GLY B 59 3.651 4.161 9.395 1.00 0.00 H new ATOM 0 HA3 GLY B 59 2.752 2.853 8.652 1.00 0.00 H new ATOM 2392 N ARG B 60 3.383 1.511 10.676 1.00 0.00 N ATOM 2393 CA ARG B 60 3.778 0.568 11.704 1.00 0.00 C ATOM 2394 C ARG B 60 2.644 -0.398 12.028 1.00 0.00 C ATOM 2395 O ARG B 60 2.712 -1.144 13.006 1.00 0.00 O ATOM 2396 CB ARG B 60 4.187 1.334 12.952 1.00 0.00 C ATOM 2397 CG ARG B 60 3.452 2.654 13.114 1.00 0.00 C ATOM 2398 CD ARG B 60 4.417 3.809 13.334 1.00 0.00 C ATOM 2399 NE ARG B 60 5.266 3.599 14.502 1.00 0.00 N ATOM 2400 CZ ARG B 60 5.138 4.279 15.637 1.00 0.00 C ATOM 2401 NH1 ARG B 60 4.206 5.215 15.751 1.00 0.00 N ATOM 2402 NH2 ARG B 60 5.945 4.026 16.658 1.00 0.00 N ATOM 0 H ARG B 60 2.376 1.581 10.530 1.00 0.00 H new ATOM 0 HA ARG B 60 4.621 -0.019 11.338 1.00 0.00 H new ATOM 0 HB2 ARG B 60 4.002 0.713 13.828 1.00 0.00 H new ATOM 0 HB3 ARG B 60 5.260 1.525 12.918 1.00 0.00 H new ATOM 0 HG2 ARG B 60 2.849 2.847 12.227 1.00 0.00 H new ATOM 0 HG3 ARG B 60 2.765 2.587 13.958 1.00 0.00 H new ATOM 0 HD2 ARG B 60 5.042 3.932 12.449 1.00 0.00 H new ATOM 0 HD3 ARG B 60 3.853 4.734 13.458 1.00 0.00 H new ATOM 0 HE ARG B 60 5.998 2.891 14.444 1.00 0.00 H new ATOM 0 HH11 ARG B 60 3.585 5.415 14.967 1.00 0.00 H new ATOM 0 HH12 ARG B 60 4.110 5.735 16.623 1.00 0.00 H new ATOM 0 HH21 ARG B 60 6.665 3.309 16.573 1.00 0.00 H new ATOM 0 HH22 ARG B 60 5.846 4.549 17.528 1.00 0.00 H new ATOM 2416 N ASN B 61 1.601 -0.381 11.204 1.00 0.00 N ATOM 2417 CA ASN B 61 0.454 -1.257 11.409 1.00 0.00 C ATOM 2418 C ASN B 61 -0.640 -0.970 10.387 1.00 0.00 C ATOM 2419 O ASN B 61 -1.827 -1.140 10.670 1.00 0.00 O ATOM 2420 CB ASN B 61 -0.096 -1.087 12.827 1.00 0.00 C ATOM 2421 CG ASN B 61 -0.978 -2.245 13.250 1.00 0.00 C ATOM 2422 OD1 ASN B 61 -1.933 -2.069 14.006 1.00 0.00 O ATOM 2423 ND2 ASN B 61 -0.659 -3.439 12.764 1.00 0.00 N ATOM 0 H ASN B 61 1.527 0.229 10.390 1.00 0.00 H new ATOM 0 HA ASN B 61 0.786 -2.287 11.277 1.00 0.00 H new ATOM 0 HB2 ASN B 61 0.735 -0.993 13.527 1.00 0.00 H new ATOM 0 HB3 ASN B 61 -0.667 -0.160 12.883 1.00 0.00 H new ATOM 0 HD21 ASN B 61 -1.215 -4.257 13.015 1.00 0.00 H new ATOM 0 HD22 ASN B 61 0.142 -3.538 12.140 1.00 0.00 H new ATOM 2430 N PHE B 62 -0.236 -0.536 9.199 1.00 0.00 N ATOM 2431 CA PHE B 62 -1.182 -0.227 8.136 1.00 0.00 C ATOM 2432 C PHE B 62 -1.230 -1.349 7.105 1.00 0.00 C ATOM 2433 O PHE B 62 -0.721 -2.447 7.338 1.00 0.00 O ATOM 2434 CB PHE B 62 -0.795 1.085 7.454 1.00 0.00 C ATOM 2435 CG PHE B 62 0.409 0.958 6.566 1.00 0.00 C ATOM 2436 CD1 PHE B 62 1.666 0.744 7.108 1.00 0.00 C ATOM 2437 CD2 PHE B 62 0.283 1.048 5.189 1.00 0.00 C ATOM 2438 CE1 PHE B 62 2.776 0.623 6.294 1.00 0.00 C ATOM 2439 CE2 PHE B 62 1.390 0.929 4.370 1.00 0.00 C ATOM 2440 CZ PHE B 62 2.637 0.715 4.923 1.00 0.00 C ATOM 0 H PHE B 62 0.742 -0.390 8.948 1.00 0.00 H new ATOM 0 HA PHE B 62 -2.171 -0.125 8.582 1.00 0.00 H new ATOM 0 HB2 PHE B 62 -1.638 1.442 6.863 1.00 0.00 H new ATOM 0 HB3 PHE B 62 -0.598 1.839 8.216 1.00 0.00 H new ATOM 0 HD1 PHE B 62 1.780 0.671 8.180 1.00 0.00 H new ATOM 0 HD2 PHE B 62 -0.690 1.213 4.751 1.00 0.00 H new ATOM 0 HE1 PHE B 62 3.750 0.457 6.729 1.00 0.00 H new ATOM 0 HE2 PHE B 62 1.280 1.003 3.298 1.00 0.00 H new ATOM 0 HZ PHE B 62 3.503 0.620 4.284 1.00 0.00 H new ATOM 2450 N GLY B 63 -1.841 -1.060 5.964 1.00 0.00 N ATOM 2451 CA GLY B 63 -1.949 -2.042 4.902 1.00 0.00 C ATOM 2452 C GLY B 63 -1.929 -1.397 3.531 1.00 0.00 C ATOM 2453 O GLY B 63 -2.980 -1.086 2.968 1.00 0.00 O ATOM 0 H GLY B 63 -2.266 -0.157 5.754 1.00 0.00 H new ATOM 0 HA2 GLY B 63 -1.127 -2.753 4.980 1.00 0.00 H new ATOM 0 HA3 GLY B 63 -2.873 -2.608 5.023 1.00 0.00 H new ATOM 2457 N SER B 64 -0.732 -1.185 2.999 1.00 0.00 N ATOM 2458 CA SER B 64 -0.577 -0.560 1.692 1.00 0.00 C ATOM 2459 C SER B 64 -0.969 -1.512 0.566 1.00 0.00 C ATOM 2460 O SER B 64 -0.688 -2.710 0.623 1.00 0.00 O ATOM 2461 CB SER B 64 0.865 -0.088 1.496 1.00 0.00 C ATOM 2462 OG SER B 64 1.789 -1.084 1.902 1.00 0.00 O ATOM 0 H SER B 64 0.146 -1.437 3.453 1.00 0.00 H new ATOM 0 HA SER B 64 -1.246 0.300 1.656 1.00 0.00 H new ATOM 0 HB2 SER B 64 1.030 0.160 0.447 1.00 0.00 H new ATOM 0 HB3 SER B 64 1.033 0.824 2.069 1.00 0.00 H new ATOM 0 HG SER B 64 2.317 -0.752 2.658 1.00 0.00 H new ATOM 2468 N TYR B 65 -1.614 -0.962 -0.456 1.00 0.00 N ATOM 2469 CA TYR B 65 -2.048 -1.745 -1.607 1.00 0.00 C ATOM 2470 C TYR B 65 -1.992 -0.900 -2.875 1.00 0.00 C ATOM 2471 O TYR B 65 -3.014 -0.649 -3.515 1.00 0.00 O ATOM 2472 CB TYR B 65 -3.469 -2.267 -1.388 1.00 0.00 C ATOM 2473 CG TYR B 65 -3.807 -3.491 -2.210 1.00 0.00 C ATOM 2474 CD1 TYR B 65 -3.324 -4.744 -1.855 1.00 0.00 C ATOM 2475 CD2 TYR B 65 -4.612 -3.393 -3.339 1.00 0.00 C ATOM 2476 CE1 TYR B 65 -3.633 -5.866 -2.603 1.00 0.00 C ATOM 2477 CE2 TYR B 65 -4.925 -4.510 -4.091 1.00 0.00 C ATOM 2478 CZ TYR B 65 -4.433 -5.744 -3.718 1.00 0.00 C ATOM 2479 OH TYR B 65 -4.741 -6.859 -4.464 1.00 0.00 O ATOM 0 H TYR B 65 -1.849 0.029 -0.511 1.00 0.00 H new ATOM 0 HA TYR B 65 -1.374 -2.594 -1.721 1.00 0.00 H new ATOM 0 HB2 TYR B 65 -3.600 -2.503 -0.332 1.00 0.00 H new ATOM 0 HB3 TYR B 65 -4.178 -1.474 -1.627 1.00 0.00 H new ATOM 0 HD1 TYR B 65 -2.697 -4.844 -0.981 1.00 0.00 H new ATOM 0 HD2 TYR B 65 -4.999 -2.429 -3.633 1.00 0.00 H new ATOM 0 HE1 TYR B 65 -3.249 -6.833 -2.314 1.00 0.00 H new ATOM 0 HE2 TYR B 65 -5.551 -4.417 -4.966 1.00 0.00 H new ATOM 0 HH TYR B 65 -5.315 -6.601 -5.216 1.00 0.00 H new ATOM 2489 N VAL B 66 -0.790 -0.458 -3.227 1.00 0.00 N ATOM 2490 CA VAL B 66 -0.593 0.365 -4.413 1.00 0.00 C ATOM 2491 C VAL B 66 -0.022 -0.453 -5.565 1.00 0.00 C ATOM 2492 O VAL B 66 0.531 -1.533 -5.359 1.00 0.00 O ATOM 2493 CB VAL B 66 0.352 1.547 -4.123 1.00 0.00 C ATOM 2494 CG1 VAL B 66 -0.298 2.525 -3.157 1.00 0.00 C ATOM 2495 CG2 VAL B 66 1.679 1.045 -3.576 1.00 0.00 C ATOM 0 H VAL B 66 0.064 -0.657 -2.706 1.00 0.00 H new ATOM 0 HA VAL B 66 -1.573 0.749 -4.696 1.00 0.00 H new ATOM 0 HB VAL B 66 0.547 2.073 -5.058 1.00 0.00 H new ATOM 0 HG11 VAL B 66 0.384 3.353 -2.964 1.00 0.00 H new ATOM 0 HG12 VAL B 66 -1.220 2.909 -3.593 1.00 0.00 H new ATOM 0 HG13 VAL B 66 -0.524 2.015 -2.220 1.00 0.00 H new ATOM 0 HG21 VAL B 66 2.334 1.893 -3.377 1.00 0.00 H new ATOM 0 HG22 VAL B 66 1.506 0.494 -2.651 1.00 0.00 H new ATOM 0 HG23 VAL B 66 2.149 0.387 -4.307 1.00 0.00 H new ATOM 2505 N THR B 67 -0.158 0.071 -6.779 1.00 0.00 N ATOM 2506 CA THR B 67 0.345 -0.608 -7.966 1.00 0.00 C ATOM 2507 C THR B 67 1.692 -0.032 -8.391 1.00 0.00 C ATOM 2508 O THR B 67 1.753 0.965 -9.111 1.00 0.00 O ATOM 2509 CB THR B 67 -0.662 -0.487 -9.110 1.00 0.00 C ATOM 2510 OG1 THR B 67 -1.810 -1.278 -8.856 1.00 0.00 O ATOM 2511 CG2 THR B 67 -0.099 -0.911 -10.450 1.00 0.00 C ATOM 0 H THR B 67 -0.613 0.965 -6.966 1.00 0.00 H new ATOM 0 HA THR B 67 0.483 -1.662 -7.724 1.00 0.00 H new ATOM 0 HB THR B 67 -0.916 0.572 -9.159 1.00 0.00 H new ATOM 0 HG1 THR B 67 -2.597 -0.851 -9.255 1.00 0.00 H new ATOM 0 HG21 THR B 67 -0.865 -0.801 -11.218 1.00 0.00 H new ATOM 0 HG22 THR B 67 0.758 -0.285 -10.699 1.00 0.00 H new ATOM 0 HG23 THR B 67 0.216 -1.953 -10.399 1.00 0.00 H new ATOM 2519 N HIS B 68 2.769 -0.663 -7.937 1.00 0.00 N ATOM 2520 CA HIS B 68 4.119 -0.215 -8.265 1.00 0.00 C ATOM 2521 C HIS B 68 4.164 0.434 -9.646 1.00 0.00 C ATOM 2522 O HIS B 68 4.779 1.484 -9.828 1.00 0.00 O ATOM 2523 CB HIS B 68 5.093 -1.393 -8.213 1.00 0.00 C ATOM 2524 CG HIS B 68 4.611 -2.597 -8.959 1.00 0.00 C ATOM 2525 ND1 HIS B 68 3.291 -2.783 -9.313 1.00 0.00 N ATOM 2526 CD2 HIS B 68 5.278 -3.681 -9.421 1.00 0.00 C ATOM 2527 CE1 HIS B 68 3.167 -3.929 -9.958 1.00 0.00 C ATOM 2528 NE2 HIS B 68 4.358 -4.493 -10.038 1.00 0.00 N ATOM 0 H HIS B 68 2.734 -1.489 -7.339 1.00 0.00 H new ATOM 0 HA HIS B 68 4.415 0.530 -7.527 1.00 0.00 H new ATOM 0 HB2 HIS B 68 6.052 -1.080 -8.625 1.00 0.00 H new ATOM 0 HB3 HIS B 68 5.267 -1.665 -7.172 1.00 0.00 H new ATOM 0 HD2 HIS B 68 6.336 -3.872 -9.323 1.00 0.00 H new ATOM 0 HE1 HIS B 68 2.248 -4.336 -10.353 1.00 0.00 H new ATOM 0 HE2 HIS B 68 4.562 -5.387 -10.485 1.00 0.00 H new ATOM 2537 N GLU B 69 3.511 -0.199 -10.614 1.00 0.00 N ATOM 2538 CA GLU B 69 3.480 0.317 -11.979 1.00 0.00 C ATOM 2539 C GLU B 69 4.861 0.798 -12.413 1.00 0.00 C ATOM 2540 O GLU B 69 4.985 1.794 -13.127 1.00 0.00 O ATOM 2541 CB GLU B 69 2.470 1.460 -12.092 1.00 0.00 C ATOM 2542 CG GLU B 69 2.745 2.609 -11.137 1.00 0.00 C ATOM 2543 CD GLU B 69 1.578 3.569 -11.028 1.00 0.00 C ATOM 2544 OE1 GLU B 69 0.600 3.403 -11.786 1.00 0.00 O ATOM 2545 OE2 GLU B 69 1.642 4.487 -10.182 1.00 0.00 O ATOM 0 H GLU B 69 2.996 -1.069 -10.480 1.00 0.00 H new ATOM 0 HA GLU B 69 3.175 -0.495 -12.639 1.00 0.00 H new ATOM 0 HB2 GLU B 69 2.475 1.839 -13.114 1.00 0.00 H new ATOM 0 HB3 GLU B 69 1.470 1.071 -11.901 1.00 0.00 H new ATOM 0 HG2 GLU B 69 2.975 2.209 -10.150 1.00 0.00 H new ATOM 0 HG3 GLU B 69 3.628 3.153 -11.474 1.00 0.00 H new ATOM 2552 N THR B 70 5.897 0.085 -11.979 1.00 0.00 N ATOM 2553 CA THR B 70 7.269 0.442 -12.326 1.00 0.00 C ATOM 2554 C THR B 70 8.243 -0.661 -11.911 1.00 0.00 C ATOM 2555 O THR B 70 7.976 -1.846 -12.112 1.00 0.00 O ATOM 2556 CB THR B 70 7.659 1.763 -11.661 1.00 0.00 C ATOM 2557 OG1 THR B 70 6.581 2.683 -11.700 1.00 0.00 O ATOM 2558 CG2 THR B 70 8.853 2.429 -12.308 1.00 0.00 C ATOM 0 H THR B 70 5.813 -0.742 -11.388 1.00 0.00 H new ATOM 0 HA THR B 70 7.324 0.559 -13.408 1.00 0.00 H new ATOM 0 HB THR B 70 7.919 1.503 -10.635 1.00 0.00 H new ATOM 0 HG1 THR B 70 6.181 2.680 -12.594 1.00 0.00 H new ATOM 0 HG21 THR B 70 9.076 3.361 -11.788 1.00 0.00 H new ATOM 0 HG22 THR B 70 9.716 1.765 -12.250 1.00 0.00 H new ATOM 0 HG23 THR B 70 8.629 2.642 -13.353 1.00 0.00 H new ATOM 2566 N LYS B 71 9.372 -0.263 -11.329 1.00 0.00 N ATOM 2567 CA LYS B 71 10.384 -1.218 -10.885 1.00 0.00 C ATOM 2568 C LYS B 71 11.084 -0.716 -9.629 1.00 0.00 C ATOM 2569 O LYS B 71 12.113 -1.254 -9.222 1.00 0.00 O ATOM 2570 CB LYS B 71 11.415 -1.460 -11.990 1.00 0.00 C ATOM 2571 CG LYS B 71 10.944 -2.431 -13.060 1.00 0.00 C ATOM 2572 CD LYS B 71 11.935 -2.518 -14.211 1.00 0.00 C ATOM 2573 CE LYS B 71 11.385 -1.874 -15.472 1.00 0.00 C ATOM 2574 NZ LYS B 71 10.872 -2.886 -16.438 1.00 0.00 N ATOM 0 H LYS B 71 9.609 0.714 -11.154 1.00 0.00 H new ATOM 0 HA LYS B 71 9.882 -2.158 -10.656 1.00 0.00 H new ATOM 0 HB2 LYS B 71 11.663 -0.508 -12.459 1.00 0.00 H new ATOM 0 HB3 LYS B 71 12.332 -1.843 -11.542 1.00 0.00 H new ATOM 0 HG2 LYS B 71 10.807 -3.419 -12.621 1.00 0.00 H new ATOM 0 HG3 LYS B 71 9.972 -2.113 -13.439 1.00 0.00 H new ATOM 0 HD2 LYS B 71 12.866 -2.028 -13.928 1.00 0.00 H new ATOM 0 HD3 LYS B 71 12.172 -3.563 -14.409 1.00 0.00 H new ATOM 0 HE2 LYS B 71 10.582 -1.186 -15.207 1.00 0.00 H new ATOM 0 HE3 LYS B 71 12.167 -1.283 -15.948 1.00 0.00 H new ATOM 0 HZ1 LYS B 71 10.506 -2.404 -17.284 1.00 0.00 H new ATOM 0 HZ2 LYS B 71 11.644 -3.527 -16.711 1.00 0.00 H new ATOM 0 HZ3 LYS B 71 10.108 -3.434 -15.994 1.00 0.00 H new ATOM 2588 N HIS B 72 10.517 0.317 -9.016 1.00 0.00 N ATOM 2589 CA HIS B 72 11.086 0.891 -7.805 1.00 0.00 C ATOM 2590 C HIS B 72 10.099 0.792 -6.647 1.00 0.00 C ATOM 2591 O HIS B 72 9.869 1.766 -5.930 1.00 0.00 O ATOM 2592 CB HIS B 72 11.469 2.353 -8.037 1.00 0.00 C ATOM 2593 CG HIS B 72 12.393 2.555 -9.198 1.00 0.00 C ATOM 2594 ND1 HIS B 72 13.588 3.239 -9.101 1.00 0.00 N ATOM 2595 CD2 HIS B 72 12.293 2.160 -10.490 1.00 0.00 C ATOM 2596 CE1 HIS B 72 14.179 3.257 -10.282 1.00 0.00 C ATOM 2597 NE2 HIS B 72 13.414 2.610 -11.141 1.00 0.00 N ATOM 0 H HIS B 72 9.664 0.773 -9.339 1.00 0.00 H new ATOM 0 HA HIS B 72 11.982 0.325 -7.550 1.00 0.00 H new ATOM 0 HB2 HIS B 72 10.562 2.936 -8.200 1.00 0.00 H new ATOM 0 HB3 HIS B 72 11.941 2.743 -7.136 1.00 0.00 H new ATOM 0 HD1 HIS B 72 13.957 3.664 -8.250 1.00 0.00 H new ATOM 0 HD2 HIS B 72 11.482 1.596 -10.926 1.00 0.00 H new ATOM 0 HE1 HIS B 72 15.127 3.722 -10.507 1.00 0.00 H new ATOM 2606 N PHE B 73 9.518 -0.391 -6.468 1.00 0.00 N ATOM 2607 CA PHE B 73 8.558 -0.613 -5.396 1.00 0.00 C ATOM 2608 C PHE B 73 9.087 -1.647 -4.411 1.00 0.00 C ATOM 2609 O PHE B 73 9.300 -2.803 -4.770 1.00 0.00 O ATOM 2610 CB PHE B 73 7.214 -1.071 -5.972 1.00 0.00 C ATOM 2611 CG PHE B 73 6.323 -1.751 -4.969 1.00 0.00 C ATOM 2612 CD1 PHE B 73 5.994 -1.125 -3.778 1.00 0.00 C ATOM 2613 CD2 PHE B 73 5.818 -3.016 -5.221 1.00 0.00 C ATOM 2614 CE1 PHE B 73 5.176 -1.749 -2.855 1.00 0.00 C ATOM 2615 CE2 PHE B 73 4.999 -3.645 -4.302 1.00 0.00 C ATOM 2616 CZ PHE B 73 4.678 -3.010 -3.116 1.00 0.00 C ATOM 0 H PHE B 73 9.696 -1.208 -7.052 1.00 0.00 H new ATOM 0 HA PHE B 73 8.410 0.328 -4.866 1.00 0.00 H new ATOM 0 HB2 PHE B 73 6.691 -0.206 -6.381 1.00 0.00 H new ATOM 0 HB3 PHE B 73 7.399 -1.754 -6.802 1.00 0.00 H new ATOM 0 HD1 PHE B 73 6.381 -0.139 -3.568 1.00 0.00 H new ATOM 0 HD2 PHE B 73 6.067 -3.516 -6.145 1.00 0.00 H new ATOM 0 HE1 PHE B 73 4.926 -1.250 -1.930 1.00 0.00 H new ATOM 0 HE2 PHE B 73 4.610 -4.631 -4.510 1.00 0.00 H new ATOM 0 HZ PHE B 73 4.039 -3.499 -2.396 1.00 0.00 H new ATOM 2626 N ILE B 74 9.301 -1.229 -3.170 1.00 0.00 N ATOM 2627 CA ILE B 74 9.807 -2.132 -2.149 1.00 0.00 C ATOM 2628 C ILE B 74 9.058 -1.972 -0.834 1.00 0.00 C ATOM 2629 O ILE B 74 8.972 -0.875 -0.283 1.00 0.00 O ATOM 2630 CB ILE B 74 11.304 -1.909 -1.879 1.00 0.00 C ATOM 2631 CG1 ILE B 74 11.827 -3.031 -0.962 1.00 0.00 C ATOM 2632 CG2 ILE B 74 11.521 -0.526 -1.272 1.00 0.00 C ATOM 2633 CD1 ILE B 74 13.061 -2.679 -0.152 1.00 0.00 C ATOM 0 H ILE B 74 9.133 -0.276 -2.849 1.00 0.00 H new ATOM 0 HA ILE B 74 9.653 -3.138 -2.539 1.00 0.00 H new ATOM 0 HB ILE B 74 11.866 -1.947 -2.812 1.00 0.00 H new ATOM 0 HG12 ILE B 74 11.031 -3.318 -0.275 1.00 0.00 H new ATOM 0 HG13 ILE B 74 12.051 -3.905 -1.574 1.00 0.00 H new ATOM 0 HG21 ILE B 74 12.584 -0.374 -1.083 1.00 0.00 H new ATOM 0 HG22 ILE B 74 11.163 0.236 -1.965 1.00 0.00 H new ATOM 0 HG23 ILE B 74 10.971 -0.450 -0.334 1.00 0.00 H new ATOM 0 HD11 ILE B 74 13.350 -3.533 0.460 1.00 0.00 H new ATOM 0 HD12 ILE B 74 13.878 -2.423 -0.826 1.00 0.00 H new ATOM 0 HD13 ILE B 74 12.842 -1.828 0.493 1.00 0.00 H new ATOM 2645 N TYR B 75 8.535 -3.081 -0.328 1.00 0.00 N ATOM 2646 CA TYR B 75 7.814 -3.077 0.935 1.00 0.00 C ATOM 2647 C TYR B 75 8.607 -3.844 1.984 1.00 0.00 C ATOM 2648 O TYR B 75 9.153 -4.909 1.702 1.00 0.00 O ATOM 2649 CB TYR B 75 6.427 -3.699 0.768 1.00 0.00 C ATOM 2650 CG TYR B 75 5.474 -3.341 1.885 1.00 0.00 C ATOM 2651 CD1 TYR B 75 5.096 -2.023 2.103 1.00 0.00 C ATOM 2652 CD2 TYR B 75 4.956 -4.321 2.723 1.00 0.00 C ATOM 2653 CE1 TYR B 75 4.229 -1.690 3.126 1.00 0.00 C ATOM 2654 CE2 TYR B 75 4.086 -3.995 3.748 1.00 0.00 C ATOM 2655 CZ TYR B 75 3.727 -2.679 3.945 1.00 0.00 C ATOM 2656 OH TYR B 75 2.864 -2.350 4.964 1.00 0.00 O ATOM 0 H TYR B 75 8.598 -3.996 -0.775 1.00 0.00 H new ATOM 0 HA TYR B 75 7.690 -2.044 1.261 1.00 0.00 H new ATOM 0 HB2 TYR B 75 6.002 -3.373 -0.181 1.00 0.00 H new ATOM 0 HB3 TYR B 75 6.526 -4.783 0.718 1.00 0.00 H new ATOM 0 HD1 TYR B 75 5.486 -1.246 1.463 1.00 0.00 H new ATOM 0 HD2 TYR B 75 5.237 -5.353 2.572 1.00 0.00 H new ATOM 0 HE1 TYR B 75 3.946 -0.660 3.283 1.00 0.00 H new ATOM 0 HE2 TYR B 75 3.690 -4.768 4.390 1.00 0.00 H new ATOM 0 HH TYR B 75 2.911 -1.386 5.134 1.00 0.00 H new ATOM 2666 N PHE B 76 8.680 -3.296 3.190 1.00 0.00 N ATOM 2667 CA PHE B 76 9.421 -3.942 4.267 1.00 0.00 C ATOM 2668 C PHE B 76 9.022 -3.381 5.625 1.00 0.00 C ATOM 2669 O PHE B 76 8.408 -2.317 5.714 1.00 0.00 O ATOM 2670 CB PHE B 76 10.925 -3.765 4.054 1.00 0.00 C ATOM 2671 CG PHE B 76 11.307 -2.388 3.595 1.00 0.00 C ATOM 2672 CD1 PHE B 76 11.073 -1.990 2.289 1.00 0.00 C ATOM 2673 CD2 PHE B 76 11.898 -1.492 4.469 1.00 0.00 C ATOM 2674 CE1 PHE B 76 11.422 -0.723 1.863 1.00 0.00 C ATOM 2675 CE2 PHE B 76 12.249 -0.223 4.050 1.00 0.00 C ATOM 2676 CZ PHE B 76 12.011 0.162 2.746 1.00 0.00 C ATOM 0 H PHE B 76 8.239 -2.413 3.447 1.00 0.00 H new ATOM 0 HA PHE B 76 9.177 -5.004 4.251 1.00 0.00 H new ATOM 0 HB2 PHE B 76 11.444 -3.986 4.987 1.00 0.00 H new ATOM 0 HB3 PHE B 76 11.268 -4.493 3.318 1.00 0.00 H new ATOM 0 HD1 PHE B 76 10.612 -2.678 1.596 1.00 0.00 H new ATOM 0 HD2 PHE B 76 12.087 -1.788 5.490 1.00 0.00 H new ATOM 0 HE1 PHE B 76 11.235 -0.425 0.842 1.00 0.00 H new ATOM 0 HE2 PHE B 76 12.709 0.467 4.742 1.00 0.00 H new ATOM 0 HZ PHE B 76 12.285 1.153 2.416 1.00 0.00 H new ATOM 2686 N TYR B 77 9.378 -4.103 6.680 1.00 0.00 N ATOM 2687 CA TYR B 77 9.061 -3.680 8.038 1.00 0.00 C ATOM 2688 C TYR B 77 10.326 -3.551 8.880 1.00 0.00 C ATOM 2689 O TYR B 77 10.956 -4.550 9.227 1.00 0.00 O ATOM 2690 CB TYR B 77 8.100 -4.673 8.693 1.00 0.00 C ATOM 2691 CG TYR B 77 7.894 -4.427 10.170 1.00 0.00 C ATOM 2692 CD1 TYR B 77 6.959 -3.499 10.614 1.00 0.00 C ATOM 2693 CD2 TYR B 77 8.635 -5.117 11.120 1.00 0.00 C ATOM 2694 CE1 TYR B 77 6.770 -3.266 11.962 1.00 0.00 C ATOM 2695 CE2 TYR B 77 8.451 -4.891 12.470 1.00 0.00 C ATOM 2696 CZ TYR B 77 7.518 -3.965 12.886 1.00 0.00 C ATOM 2697 OH TYR B 77 7.333 -3.735 14.230 1.00 0.00 O ATOM 0 H TYR B 77 9.887 -4.985 6.621 1.00 0.00 H new ATOM 0 HA TYR B 77 8.582 -2.702 7.983 1.00 0.00 H new ATOM 0 HB2 TYR B 77 7.136 -4.622 8.186 1.00 0.00 H new ATOM 0 HB3 TYR B 77 8.482 -5.684 8.551 1.00 0.00 H new ATOM 0 HD1 TYR B 77 6.371 -2.951 9.893 1.00 0.00 H new ATOM 0 HD2 TYR B 77 9.367 -5.842 10.798 1.00 0.00 H new ATOM 0 HE1 TYR B 77 6.041 -2.541 12.291 1.00 0.00 H new ATOM 0 HE2 TYR B 77 9.035 -5.437 13.196 1.00 0.00 H new ATOM 0 HH TYR B 77 7.937 -4.309 14.746 1.00 0.00 H new ATOM 2707 N LEU B 78 10.690 -2.316 9.207 1.00 0.00 N ATOM 2708 CA LEU B 78 11.878 -2.056 10.013 1.00 0.00 C ATOM 2709 C LEU B 78 11.661 -2.511 11.452 1.00 0.00 C ATOM 2710 O LEU B 78 10.545 -2.857 11.840 1.00 0.00 O ATOM 2711 CB LEU B 78 12.232 -0.569 9.982 1.00 0.00 C ATOM 2712 CG LEU B 78 12.842 -0.076 8.669 1.00 0.00 C ATOM 2713 CD1 LEU B 78 14.251 -0.622 8.500 1.00 0.00 C ATOM 2714 CD2 LEU B 78 11.966 -0.481 7.492 1.00 0.00 C ATOM 0 H LEU B 78 10.180 -1.479 8.926 1.00 0.00 H new ATOM 0 HA LEU B 78 12.707 -2.623 9.589 1.00 0.00 H new ATOM 0 HB2 LEU B 78 11.330 0.008 10.185 1.00 0.00 H new ATOM 0 HB3 LEU B 78 12.932 -0.361 10.791 1.00 0.00 H new ATOM 0 HG LEU B 78 12.897 1.012 8.699 1.00 0.00 H new ATOM 0 HD11 LEU B 78 14.671 -0.262 7.561 1.00 0.00 H new ATOM 0 HD12 LEU B 78 14.874 -0.285 9.329 1.00 0.00 H new ATOM 0 HD13 LEU B 78 14.220 -1.712 8.489 1.00 0.00 H new ATOM 0 HD21 LEU B 78 12.414 -0.123 6.565 1.00 0.00 H new ATOM 0 HD22 LEU B 78 11.882 -1.567 7.458 1.00 0.00 H new ATOM 0 HD23 LEU B 78 10.975 -0.043 7.609 1.00 0.00 H new ATOM 2726 N GLY B 79 12.738 -2.510 12.236 1.00 0.00 N ATOM 2727 CA GLY B 79 12.657 -2.925 13.628 1.00 0.00 C ATOM 2728 C GLY B 79 11.269 -2.754 14.216 1.00 0.00 C ATOM 2729 O GLY B 79 10.746 -3.661 14.864 1.00 0.00 O ATOM 0 H GLY B 79 13.669 -2.228 11.930 1.00 0.00 H new ATOM 0 HA2 GLY B 79 12.953 -3.971 13.708 1.00 0.00 H new ATOM 0 HA3 GLY B 79 13.369 -2.346 14.216 1.00 0.00 H new ATOM 2733 N GLN B 80 10.670 -1.590 13.988 1.00 0.00 N ATOM 2734 CA GLN B 80 9.334 -1.305 14.500 1.00 0.00 C ATOM 2735 C GLN B 80 8.588 -0.350 13.573 1.00 0.00 C ATOM 2736 O GLN B 80 7.845 0.520 14.028 1.00 0.00 O ATOM 2737 CB GLN B 80 9.414 -0.706 15.906 1.00 0.00 C ATOM 2738 CG GLN B 80 10.543 -1.276 16.750 1.00 0.00 C ATOM 2739 CD GLN B 80 10.634 -0.622 18.114 1.00 0.00 C ATOM 2740 OE1 GLN B 80 11.146 -1.211 19.067 1.00 0.00 O ATOM 2741 NE2 GLN B 80 10.135 0.605 18.216 1.00 0.00 N ATOM 0 H GLN B 80 11.088 -0.829 13.452 1.00 0.00 H new ATOM 0 HA GLN B 80 8.786 -2.246 14.546 1.00 0.00 H new ATOM 0 HB2 GLN B 80 9.542 0.373 15.825 1.00 0.00 H new ATOM 0 HB3 GLN B 80 8.467 -0.877 16.418 1.00 0.00 H new ATOM 0 HG2 GLN B 80 10.394 -2.349 16.874 1.00 0.00 H new ATOM 0 HG3 GLN B 80 11.488 -1.144 16.224 1.00 0.00 H new ATOM 0 HE21 GLN B 80 9.720 1.056 17.401 1.00 0.00 H new ATOM 0 HE22 GLN B 80 10.167 1.096 19.109 1.00 0.00 H new ATOM 2750 N VAL B 81 8.794 -0.516 12.271 1.00 0.00 N ATOM 2751 CA VAL B 81 8.145 0.332 11.280 1.00 0.00 C ATOM 2752 C VAL B 81 8.004 -0.391 9.944 1.00 0.00 C ATOM 2753 O VAL B 81 8.557 -1.472 9.750 1.00 0.00 O ATOM 2754 CB VAL B 81 8.930 1.639 11.069 1.00 0.00 C ATOM 2755 CG1 VAL B 81 8.280 2.488 9.987 1.00 0.00 C ATOM 2756 CG2 VAL B 81 9.032 2.412 12.376 1.00 0.00 C ATOM 0 H VAL B 81 9.406 -1.231 11.878 1.00 0.00 H new ATOM 0 HA VAL B 81 7.152 0.570 11.662 1.00 0.00 H new ATOM 0 HB VAL B 81 9.938 1.388 10.739 1.00 0.00 H new ATOM 0 HG11 VAL B 81 8.851 3.407 9.854 1.00 0.00 H new ATOM 0 HG12 VAL B 81 8.263 1.932 9.049 1.00 0.00 H new ATOM 0 HG13 VAL B 81 7.260 2.734 10.281 1.00 0.00 H new ATOM 0 HG21 VAL B 81 9.590 3.334 12.211 1.00 0.00 H new ATOM 0 HG22 VAL B 81 8.031 2.653 12.735 1.00 0.00 H new ATOM 0 HG23 VAL B 81 9.548 1.804 13.119 1.00 0.00 H new ATOM 2766 N ALA B 82 7.260 0.217 9.027 1.00 0.00 N ATOM 2767 CA ALA B 82 7.043 -0.361 7.709 1.00 0.00 C ATOM 2768 C ALA B 82 7.150 0.710 6.633 1.00 0.00 C ATOM 2769 O ALA B 82 6.713 1.843 6.831 1.00 0.00 O ATOM 2770 CB ALA B 82 5.686 -1.045 7.646 1.00 0.00 C ATOM 0 H ALA B 82 6.796 1.113 9.174 1.00 0.00 H new ATOM 0 HA ALA B 82 7.815 -1.109 7.529 1.00 0.00 H new ATOM 0 HB1 ALA B 82 5.539 -1.472 6.654 1.00 0.00 H new ATOM 0 HB2 ALA B 82 5.643 -1.838 8.392 1.00 0.00 H new ATOM 0 HB3 ALA B 82 4.901 -0.316 7.847 1.00 0.00 H new ATOM 2776 N ILE B 83 7.740 0.353 5.499 1.00 0.00 N ATOM 2777 CA ILE B 83 7.904 1.300 4.405 1.00 0.00 C ATOM 2778 C ILE B 83 7.378 0.737 3.089 1.00 0.00 C ATOM 2779 O ILE B 83 7.740 -0.367 2.680 1.00 0.00 O ATOM 2780 CB ILE B 83 9.380 1.703 4.221 1.00 0.00 C ATOM 2781 CG1 ILE B 83 10.185 1.408 5.495 1.00 0.00 C ATOM 2782 CG2 ILE B 83 9.478 3.174 3.841 1.00 0.00 C ATOM 2783 CD1 ILE B 83 9.983 2.421 6.606 1.00 0.00 C ATOM 0 H ILE B 83 8.110 -0.579 5.314 1.00 0.00 H new ATOM 0 HA ILE B 83 7.322 2.182 4.674 1.00 0.00 H new ATOM 0 HB ILE B 83 9.807 1.110 3.412 1.00 0.00 H new ATOM 0 HG12 ILE B 83 9.910 0.420 5.865 1.00 0.00 H new ATOM 0 HG13 ILE B 83 11.244 1.370 5.241 1.00 0.00 H new ATOM 0 HG21 ILE B 83 10.525 3.448 3.714 1.00 0.00 H new ATOM 0 HG22 ILE B 83 8.942 3.345 2.907 1.00 0.00 H new ATOM 0 HG23 ILE B 83 9.037 3.784 4.630 1.00 0.00 H new ATOM 0 HD11 ILE B 83 10.586 2.140 7.469 1.00 0.00 H new ATOM 0 HD12 ILE B 83 10.286 3.408 6.258 1.00 0.00 H new ATOM 0 HD13 ILE B 83 8.931 2.444 6.891 1.00 0.00 H new ATOM 2795 N LEU B 84 6.527 1.517 2.428 1.00 0.00 N ATOM 2796 CA LEU B 84 5.949 1.123 1.149 1.00 0.00 C ATOM 2797 C LEU B 84 6.404 2.082 0.052 1.00 0.00 C ATOM 2798 O LEU B 84 5.719 3.056 -0.257 1.00 0.00 O ATOM 2799 CB LEU B 84 4.420 1.114 1.237 1.00 0.00 C ATOM 2800 CG LEU B 84 3.692 1.237 -0.102 1.00 0.00 C ATOM 2801 CD1 LEU B 84 3.407 -0.140 -0.679 1.00 0.00 C ATOM 2802 CD2 LEU B 84 2.402 2.029 0.063 1.00 0.00 C ATOM 0 H LEU B 84 6.222 2.431 2.761 1.00 0.00 H new ATOM 0 HA LEU B 84 6.291 0.117 0.905 1.00 0.00 H new ATOM 0 HB2 LEU B 84 4.105 0.189 1.720 1.00 0.00 H new ATOM 0 HB3 LEU B 84 4.104 1.934 1.881 1.00 0.00 H new ATOM 0 HG LEU B 84 4.336 1.774 -0.799 1.00 0.00 H new ATOM 0 HD11 LEU B 84 2.888 -0.035 -1.632 1.00 0.00 H new ATOM 0 HD12 LEU B 84 4.346 -0.671 -0.833 1.00 0.00 H new ATOM 0 HD13 LEU B 84 2.782 -0.703 0.014 1.00 0.00 H new ATOM 0 HD21 LEU B 84 1.897 2.107 -0.900 1.00 0.00 H new ATOM 0 HD22 LEU B 84 1.751 1.520 0.774 1.00 0.00 H new ATOM 0 HD23 LEU B 84 2.633 3.028 0.433 1.00 0.00 H new ATOM 2814 N LEU B 85 7.573 1.810 -0.517 1.00 0.00 N ATOM 2815 CA LEU B 85 8.132 2.661 -1.564 1.00 0.00 C ATOM 2816 C LEU B 85 7.747 2.166 -2.954 1.00 0.00 C ATOM 2817 O LEU B 85 7.932 0.995 -3.282 1.00 0.00 O ATOM 2818 CB LEU B 85 9.656 2.715 -1.434 1.00 0.00 C ATOM 2819 CG LEU B 85 10.265 4.119 -1.425 1.00 0.00 C ATOM 2820 CD1 LEU B 85 10.202 4.722 -0.031 1.00 0.00 C ATOM 2821 CD2 LEU B 85 11.702 4.076 -1.922 1.00 0.00 C ATOM 0 H LEU B 85 8.153 1.007 -0.272 1.00 0.00 H new ATOM 0 HA LEU B 85 7.718 3.662 -1.438 1.00 0.00 H new ATOM 0 HB2 LEU B 85 9.943 2.207 -0.513 1.00 0.00 H new ATOM 0 HB3 LEU B 85 10.094 2.153 -2.259 1.00 0.00 H new ATOM 0 HG LEU B 85 9.684 4.750 -2.097 1.00 0.00 H new ATOM 0 HD11 LEU B 85 10.640 5.720 -0.046 1.00 0.00 H new ATOM 0 HD12 LEU B 85 9.163 4.787 0.291 1.00 0.00 H new ATOM 0 HD13 LEU B 85 10.758 4.092 0.663 1.00 0.00 H new ATOM 0 HD21 LEU B 85 12.121 5.082 -1.910 1.00 0.00 H new ATOM 0 HD22 LEU B 85 12.292 3.429 -1.273 1.00 0.00 H new ATOM 0 HD23 LEU B 85 11.723 3.686 -2.940 1.00 0.00 H new ATOM 2833 N PHE B 86 7.220 3.072 -3.773 1.00 0.00 N ATOM 2834 CA PHE B 86 6.820 2.731 -5.135 1.00 0.00 C ATOM 2835 C PHE B 86 6.537 3.994 -5.952 1.00 0.00 C ATOM 2836 O PHE B 86 5.710 4.819 -5.567 1.00 0.00 O ATOM 2837 CB PHE B 86 5.592 1.808 -5.120 1.00 0.00 C ATOM 2838 CG PHE B 86 4.275 2.527 -5.223 1.00 0.00 C ATOM 2839 CD1 PHE B 86 3.817 3.317 -4.181 1.00 0.00 C ATOM 2840 CD2 PHE B 86 3.497 2.413 -6.364 1.00 0.00 C ATOM 2841 CE1 PHE B 86 2.608 3.979 -4.275 1.00 0.00 C ATOM 2842 CE2 PHE B 86 2.287 3.072 -6.464 1.00 0.00 C ATOM 2843 CZ PHE B 86 1.841 3.856 -5.418 1.00 0.00 C ATOM 0 H PHE B 86 7.060 4.047 -3.518 1.00 0.00 H new ATOM 0 HA PHE B 86 7.645 2.199 -5.610 1.00 0.00 H new ATOM 0 HB2 PHE B 86 5.673 1.102 -5.947 1.00 0.00 H new ATOM 0 HB3 PHE B 86 5.603 1.224 -4.200 1.00 0.00 H new ATOM 0 HD1 PHE B 86 4.412 3.416 -3.285 1.00 0.00 H new ATOM 0 HD2 PHE B 86 3.841 1.801 -7.185 1.00 0.00 H new ATOM 0 HE1 PHE B 86 2.263 4.592 -3.456 1.00 0.00 H new ATOM 0 HE2 PHE B 86 1.690 2.974 -7.359 1.00 0.00 H new ATOM 0 HZ PHE B 86 0.895 4.372 -5.493 1.00 0.00 H new ATOM 2853 N LYS B 87 7.230 4.136 -7.079 1.00 0.00 N ATOM 2854 CA LYS B 87 7.052 5.297 -7.947 1.00 0.00 C ATOM 2855 C LYS B 87 5.992 5.021 -9.008 1.00 0.00 C ATOM 2856 O LYS B 87 5.678 3.869 -9.300 1.00 0.00 O ATOM 2857 CB LYS B 87 8.375 5.669 -8.621 1.00 0.00 C ATOM 2858 CG LYS B 87 9.558 5.690 -7.668 1.00 0.00 C ATOM 2859 CD LYS B 87 10.874 5.529 -8.411 1.00 0.00 C ATOM 2860 CE LYS B 87 11.290 6.821 -9.096 1.00 0.00 C ATOM 2861 NZ LYS B 87 12.653 6.722 -9.690 1.00 0.00 N ATOM 0 H LYS B 87 7.919 3.462 -7.412 1.00 0.00 H new ATOM 0 HA LYS B 87 6.720 6.132 -7.330 1.00 0.00 H new ATOM 0 HB2 LYS B 87 8.577 4.958 -9.422 1.00 0.00 H new ATOM 0 HB3 LYS B 87 8.274 6.651 -9.083 1.00 0.00 H new ATOM 0 HG2 LYS B 87 9.564 6.629 -7.114 1.00 0.00 H new ATOM 0 HG3 LYS B 87 9.452 4.889 -6.936 1.00 0.00 H new ATOM 0 HD2 LYS B 87 11.652 5.220 -7.713 1.00 0.00 H new ATOM 0 HD3 LYS B 87 10.779 4.737 -9.154 1.00 0.00 H new ATOM 0 HE2 LYS B 87 10.570 7.065 -9.877 1.00 0.00 H new ATOM 0 HE3 LYS B 87 11.267 7.638 -8.375 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 13.009 7.676 -9.903 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 13.293 6.256 -9.015 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 12.610 6.165 -10.567 1.00 0.00 H new ATOM 2875 N SER B 88 5.444 6.088 -9.580 1.00 0.00 N ATOM 2876 CA SER B 88 4.420 5.958 -10.609 1.00 0.00 C ATOM 2877 C SER B 88 4.994 6.262 -11.983 1.00 0.00 C ATOM 2878 O SER B 88 4.263 6.539 -12.935 1.00 0.00 O ATOM 2879 CB SER B 88 3.256 6.898 -10.317 1.00 0.00 C ATOM 2880 OG SER B 88 2.480 6.429 -9.228 1.00 0.00 O ATOM 0 H SER B 88 5.691 7.050 -9.349 1.00 0.00 H new ATOM 0 HA SER B 88 4.060 4.929 -10.602 1.00 0.00 H new ATOM 0 HB2 SER B 88 3.637 7.894 -10.093 1.00 0.00 H new ATOM 0 HB3 SER B 88 2.627 6.989 -11.203 1.00 0.00 H new ATOM 0 HG SER B 88 1.611 6.882 -9.226 1.00 0.00 H new ATOM 2886 N GLY B 89 6.309 6.207 -12.068 1.00 0.00 N ATOM 2887 CA GLY B 89 6.990 6.476 -13.321 1.00 0.00 C ATOM 2888 C GLY B 89 6.427 5.669 -14.473 1.00 0.00 C ATOM 2889 O GLY B 89 6.147 6.264 -15.535 1.00 0.00 O ATOM 2890 OXT GLY B 89 6.265 4.440 -14.315 1.00 0.00 O ATOM 0 H GLY B 89 6.926 5.979 -11.288 1.00 0.00 H new ATOM 0 HA2 GLY B 89 6.911 7.538 -13.553 1.00 0.00 H new ATOM 0 HA3 GLY B 89 8.051 6.252 -13.209 1.00 0.00 H new TER 2894 GLY B 89