USER MOD reduce.3.24.130724 H: found=0, std=0, add=1306, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1306 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 33 LYS NZ :NH3+ 134:sc= -0.0588 (180deg=-0.678) USER MOD Set 1.2: B 37 ASN : amide:sc= -0.83 K(o=-0.89,f=-3.6!) USER MOD Set 2.1: B 15 HIS : no HE2:sc= -0.159 K(o=-7,f=-11!) USER MOD Set 2.2: B 16 GLN : amide:sc= -6.84! C(o=-7!,f=-12!) USER MOD Set 3.1: A 33 LYS NZ :NH3+ 158:sc= -0.0978 (180deg=-0.635) USER MOD Set 3.2: A 37 ASN : amide:sc= -0.704 K(o=-0.8,f=-3.5!) USER MOD Set 4.1: A 15 HIS : no HE2:sc= -0.162 K(o=-6.7,f=-11) USER MOD Set 4.2: A 16 GLN : amide:sc= -6.51! C(o=-6.7!,f=-12!) USER MOD Single : A 1 SER N :NH3+ 177:sc= 0 (180deg=-0.00549) USER MOD Single : A 1 SER OG : rot 180:sc= -0.0112 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 MET CE :methyl -156:sc= -0.16 (180deg=-1) USER MOD Single : A 17 TYR OH : rot 82:sc= 0.281 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -1.02 K(o=-1,f=-0.32) USER MOD Single : A 26 LYS NZ :NH3+ 161:sc= -0.0382 (180deg=-0.374) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -165:sc= -8.68! (180deg=-8.94!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -1.03 K(o=-1,f=-3.6!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 55 LYS NZ :NH3+ -124:sc= -0.985 (180deg=-2.81!) USER MOD Single : A 57 MET CE :methyl -168:sc= -0.0311 (180deg=-0.353) USER MOD Single : A 59 THR OG1 : rot 84:sc= 0.16 USER MOD Single : A 68 CYS SG : rot -51:sc= -0.0267 USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 74 MET CE :methyl 170:sc= 0 (180deg=-0.0298) USER MOD Single : A 78 SER OG : rot -45:sc= -0.248 USER MOD Single : A 79 MET CE :methyl -173:sc= 0 (180deg=-0.0312) USER MOD Single : A 81 THR OG1 : rot -24:sc= 0.245 USER MOD Single : A 82 THR OG1 : rot -62:sc= -0.467 USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : B 1 SER N :NH3+ 177:sc= 0 (180deg=-0.00417) USER MOD Single : B 1 SER OG : rot 180:sc= -0.165 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 MET CE :methyl -155:sc= -0.196 (180deg=-1.25) USER MOD Single : B 17 TYR OH : rot 82:sc= 0.288 USER MOD Single : B 18 SER OG : rot 180:sc= -0.0157 USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 HIS : no HD1:sc= -0.981 K(o=-0.98,f=-0.33) USER MOD Single : B 26 LYS NZ :NH3+ 163:sc= -0.0117 (180deg=-0.289) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 29 LYS NZ :NH3+ -171:sc= -8.42! (180deg=-8.74!) USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 38 ASN : amide:sc= -0.999 K(o=-1,f=-3.6!) USER MOD Single : B 41 SER OG : rot 180:sc= 0 USER MOD Single : B 42 HIS : no HD1:sc= 0 X(o=0,f=-0.04) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : B 55 LYS NZ :NH3+ -122:sc= -0.938 (180deg=-2.64!) USER MOD Single : B 57 MET CE :methyl -170:sc= -0.0265 (180deg=-0.26) USER MOD Single : B 59 THR OG1 : rot 85:sc= 0.153 USER MOD Single : B 68 CYS SG : rot -55:sc= -0.034 USER MOD Single : B 71 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : B 74 MET CE :methyl 171:sc= 0 (180deg=-0.0315) USER MOD Single : B 78 SER OG : rot -51:sc= -0.0895 USER MOD Single : B 79 MET CE :methyl -168:sc= 0 (180deg=-0.0777) USER MOD Single : B 81 THR OG1 : rot -23:sc= 0.314 USER MOD Single : B 82 THR OG1 : rot -59:sc= -0.518 USER MOD Single : B 84 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 69.018 12.477 -9.141 1.00 0.00 N ATOM 2 CA SER A 1 68.105 12.125 -10.266 1.00 0.00 C ATOM 3 C SER A 1 67.641 10.675 -10.109 1.00 0.00 C ATOM 4 O SER A 1 67.007 10.319 -9.135 1.00 0.00 O ATOM 5 CB SER A 1 68.849 12.290 -11.592 1.00 0.00 C ATOM 6 OG SER A 1 69.917 11.355 -11.650 1.00 0.00 O ATOM 0 H1 SER A 1 69.374 13.445 -9.273 1.00 0.00 H new ATOM 0 H2 SER A 1 68.499 12.419 -8.242 1.00 0.00 H new ATOM 0 H3 SER A 1 69.818 11.813 -9.123 1.00 0.00 H new ATOM 0 HA SER A 1 67.237 12.784 -10.255 1.00 0.00 H new ATOM 0 HB2 SER A 1 68.167 12.132 -12.427 1.00 0.00 H new ATOM 0 HB3 SER A 1 69.234 13.306 -11.682 1.00 0.00 H new ATOM 0 HG SER A 1 70.395 11.457 -12.499 1.00 0.00 H new ATOM 14 N GLU A 2 67.933 9.838 -11.067 1.00 0.00 N ATOM 15 CA GLU A 2 67.494 8.416 -10.985 1.00 0.00 C ATOM 16 C GLU A 2 68.087 7.748 -9.742 1.00 0.00 C ATOM 17 O GLU A 2 67.444 6.940 -9.102 1.00 0.00 O ATOM 18 CB GLU A 2 67.966 7.671 -12.238 1.00 0.00 C ATOM 19 CG GLU A 2 67.173 8.161 -13.452 1.00 0.00 C ATOM 20 CD GLU A 2 67.643 7.418 -14.703 1.00 0.00 C ATOM 21 OE1 GLU A 2 68.636 6.714 -14.613 1.00 0.00 O ATOM 22 OE2 GLU A 2 67.007 7.570 -15.733 1.00 0.00 O ATOM 0 H GLU A 2 68.459 10.079 -11.907 1.00 0.00 H new ATOM 0 HA GLU A 2 66.407 8.381 -10.918 1.00 0.00 H new ATOM 0 HB2 GLU A 2 69.032 7.839 -12.394 1.00 0.00 H new ATOM 0 HB3 GLU A 2 67.828 6.597 -12.109 1.00 0.00 H new ATOM 0 HG2 GLU A 2 66.107 7.993 -13.295 1.00 0.00 H new ATOM 0 HG3 GLU A 2 67.311 9.235 -13.581 1.00 0.00 H new ATOM 29 N LEU A 3 69.299 8.075 -9.381 1.00 0.00 N ATOM 30 CA LEU A 3 69.912 7.455 -8.171 1.00 0.00 C ATOM 31 C LEU A 3 69.203 7.953 -6.909 1.00 0.00 C ATOM 32 O LEU A 3 69.027 7.220 -5.957 1.00 0.00 O ATOM 33 CB LEU A 3 71.399 7.830 -8.112 1.00 0.00 C ATOM 34 CG LEU A 3 72.060 7.244 -6.851 1.00 0.00 C ATOM 35 CD1 LEU A 3 71.948 5.713 -6.853 1.00 0.00 C ATOM 36 CD2 LEU A 3 73.538 7.649 -6.840 1.00 0.00 C ATOM 0 H LEU A 3 69.891 8.745 -9.872 1.00 0.00 H new ATOM 0 HA LEU A 3 69.808 6.371 -8.228 1.00 0.00 H new ATOM 0 HB2 LEU A 3 71.908 7.458 -9.001 1.00 0.00 H new ATOM 0 HB3 LEU A 3 71.506 8.915 -8.114 1.00 0.00 H new ATOM 0 HG LEU A 3 71.556 7.628 -5.964 1.00 0.00 H new ATOM 0 HD11 LEU A 3 72.420 5.313 -5.956 1.00 0.00 H new ATOM 0 HD12 LEU A 3 70.897 5.425 -6.870 1.00 0.00 H new ATOM 0 HD13 LEU A 3 72.448 5.313 -7.735 1.00 0.00 H new ATOM 0 HD21 LEU A 3 74.020 7.241 -5.952 1.00 0.00 H new ATOM 0 HD22 LEU A 3 74.029 7.258 -7.731 1.00 0.00 H new ATOM 0 HD23 LEU A 3 73.617 8.736 -6.829 1.00 0.00 H new ATOM 48 N GLU A 4 68.790 9.191 -6.893 1.00 0.00 N ATOM 49 CA GLU A 4 68.091 9.725 -5.690 1.00 0.00 C ATOM 50 C GLU A 4 66.811 8.920 -5.460 1.00 0.00 C ATOM 51 O GLU A 4 66.453 8.606 -4.342 1.00 0.00 O ATOM 52 CB GLU A 4 67.746 11.200 -5.923 1.00 0.00 C ATOM 53 CG GLU A 4 67.111 11.799 -4.664 1.00 0.00 C ATOM 54 CD GLU A 4 68.133 11.803 -3.524 1.00 0.00 C ATOM 55 OE1 GLU A 4 69.311 11.666 -3.810 1.00 0.00 O ATOM 56 OE2 GLU A 4 67.719 11.945 -2.385 1.00 0.00 O ATOM 0 H GLU A 4 68.906 9.854 -7.659 1.00 0.00 H new ATOM 0 HA GLU A 4 68.733 9.641 -4.814 1.00 0.00 H new ATOM 0 HB2 GLU A 4 68.647 11.755 -6.184 1.00 0.00 H new ATOM 0 HB3 GLU A 4 67.060 11.292 -6.765 1.00 0.00 H new ATOM 0 HG2 GLU A 4 66.771 12.815 -4.864 1.00 0.00 H new ATOM 0 HG3 GLU A 4 66.233 11.220 -4.377 1.00 0.00 H new ATOM 63 N LYS A 5 66.121 8.587 -6.512 1.00 0.00 N ATOM 64 CA LYS A 5 64.859 7.806 -6.379 1.00 0.00 C ATOM 65 C LYS A 5 65.154 6.466 -5.707 1.00 0.00 C ATOM 66 O LYS A 5 64.354 5.949 -4.954 1.00 0.00 O ATOM 67 CB LYS A 5 64.275 7.552 -7.771 1.00 0.00 C ATOM 68 CG LYS A 5 63.954 8.883 -8.468 1.00 0.00 C ATOM 69 CD LYS A 5 62.704 9.528 -7.856 1.00 0.00 C ATOM 70 CE LYS A 5 62.210 10.647 -8.773 1.00 0.00 C ATOM 71 NZ LYS A 5 60.930 11.194 -8.241 1.00 0.00 N ATOM 0 H LYS A 5 66.379 8.825 -7.470 1.00 0.00 H new ATOM 0 HA LYS A 5 64.147 8.367 -5.774 1.00 0.00 H new ATOM 0 HB2 LYS A 5 64.984 6.982 -8.371 1.00 0.00 H new ATOM 0 HB3 LYS A 5 63.370 6.950 -7.688 1.00 0.00 H new ATOM 0 HG2 LYS A 5 64.802 9.562 -8.375 1.00 0.00 H new ATOM 0 HG3 LYS A 5 63.797 8.713 -9.533 1.00 0.00 H new ATOM 0 HD2 LYS A 5 61.923 8.780 -7.724 1.00 0.00 H new ATOM 0 HD3 LYS A 5 62.934 9.927 -6.868 1.00 0.00 H new ATOM 0 HE2 LYS A 5 62.958 11.437 -8.836 1.00 0.00 H new ATOM 0 HE3 LYS A 5 62.063 10.266 -9.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 60.592 11.955 -8.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 60.218 10.437 -8.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 61.085 11.572 -7.285 1.00 0.00 H new ATOM 85 N ALA A 6 66.289 5.893 -5.984 1.00 0.00 N ATOM 86 CA ALA A 6 66.619 4.580 -5.369 1.00 0.00 C ATOM 87 C ALA A 6 66.631 4.715 -3.842 1.00 0.00 C ATOM 88 O ALA A 6 66.017 3.936 -3.142 1.00 0.00 O ATOM 89 CB ALA A 6 67.996 4.121 -5.860 1.00 0.00 C ATOM 0 H ALA A 6 67.000 6.275 -6.607 1.00 0.00 H new ATOM 0 HA ALA A 6 65.868 3.844 -5.656 1.00 0.00 H new ATOM 0 HB1 ALA A 6 68.240 3.159 -5.411 1.00 0.00 H new ATOM 0 HB2 ALA A 6 67.981 4.021 -6.945 1.00 0.00 H new ATOM 0 HB3 ALA A 6 68.748 4.856 -5.574 1.00 0.00 H new ATOM 95 N MET A 7 67.321 5.693 -3.317 1.00 0.00 N ATOM 96 CA MET A 7 67.362 5.859 -1.834 1.00 0.00 C ATOM 97 C MET A 7 65.979 6.269 -1.314 1.00 0.00 C ATOM 98 O MET A 7 65.531 5.810 -0.281 1.00 0.00 O ATOM 99 CB MET A 7 68.369 6.952 -1.478 1.00 0.00 C ATOM 100 CG MET A 7 69.788 6.457 -1.760 1.00 0.00 C ATOM 101 SD MET A 7 70.984 7.728 -1.272 1.00 0.00 S ATOM 102 CE MET A 7 70.558 8.967 -2.523 1.00 0.00 C ATOM 0 H MET A 7 67.855 6.381 -3.848 1.00 0.00 H new ATOM 0 HA MET A 7 67.655 4.914 -1.377 1.00 0.00 H new ATOM 0 HB2 MET A 7 68.165 7.851 -2.059 1.00 0.00 H new ATOM 0 HB3 MET A 7 68.270 7.223 -0.427 1.00 0.00 H new ATOM 0 HG2 MET A 7 69.978 5.535 -1.211 1.00 0.00 H new ATOM 0 HG3 MET A 7 69.900 6.226 -2.819 1.00 0.00 H new ATOM 0 HE1 MET A 7 71.411 9.625 -2.689 1.00 0.00 H new ATOM 0 HE2 MET A 7 70.299 8.467 -3.456 1.00 0.00 H new ATOM 0 HE3 MET A 7 69.708 9.555 -2.178 1.00 0.00 H new ATOM 112 N VAL A 8 65.311 7.149 -2.010 1.00 0.00 N ATOM 113 CA VAL A 8 63.971 7.615 -1.548 1.00 0.00 C ATOM 114 C VAL A 8 63.019 6.422 -1.459 1.00 0.00 C ATOM 115 O VAL A 8 62.218 6.325 -0.552 1.00 0.00 O ATOM 116 CB VAL A 8 63.409 8.646 -2.539 1.00 0.00 C ATOM 117 CG1 VAL A 8 61.946 8.954 -2.200 1.00 0.00 C ATOM 118 CG2 VAL A 8 64.224 9.937 -2.452 1.00 0.00 C ATOM 0 H VAL A 8 65.637 7.567 -2.882 1.00 0.00 H new ATOM 0 HA VAL A 8 64.070 8.077 -0.566 1.00 0.00 H new ATOM 0 HB VAL A 8 63.470 8.237 -3.548 1.00 0.00 H new ATOM 0 HG11 VAL A 8 61.555 9.686 -2.907 1.00 0.00 H new ATOM 0 HG12 VAL A 8 61.358 8.039 -2.262 1.00 0.00 H new ATOM 0 HG13 VAL A 8 61.884 9.357 -1.189 1.00 0.00 H new ATOM 0 HG21 VAL A 8 63.824 10.668 -3.155 1.00 0.00 H new ATOM 0 HG22 VAL A 8 64.164 10.337 -1.440 1.00 0.00 H new ATOM 0 HG23 VAL A 8 65.265 9.728 -2.699 1.00 0.00 H new ATOM 128 N ALA A 9 63.084 5.523 -2.398 1.00 0.00 N ATOM 129 CA ALA A 9 62.162 4.357 -2.361 1.00 0.00 C ATOM 130 C ALA A 9 62.373 3.575 -1.064 1.00 0.00 C ATOM 131 O ALA A 9 61.432 3.113 -0.451 1.00 0.00 O ATOM 132 CB ALA A 9 62.448 3.448 -3.558 1.00 0.00 C ATOM 0 H ALA A 9 63.732 5.544 -3.186 1.00 0.00 H new ATOM 0 HA ALA A 9 61.131 4.708 -2.406 1.00 0.00 H new ATOM 0 HB1 ALA A 9 61.774 2.592 -3.534 1.00 0.00 H new ATOM 0 HB2 ALA A 9 62.295 4.005 -4.482 1.00 0.00 H new ATOM 0 HB3 ALA A 9 63.479 3.099 -3.511 1.00 0.00 H new ATOM 138 N LEU A 10 63.594 3.418 -0.637 1.00 0.00 N ATOM 139 CA LEU A 10 63.837 2.659 0.624 1.00 0.00 C ATOM 140 C LEU A 10 63.118 3.351 1.789 1.00 0.00 C ATOM 141 O LEU A 10 62.467 2.712 2.591 1.00 0.00 O ATOM 142 CB LEU A 10 65.352 2.594 0.919 1.00 0.00 C ATOM 143 CG LEU A 10 65.996 1.385 0.223 1.00 0.00 C ATOM 144 CD1 LEU A 10 66.046 1.615 -1.287 1.00 0.00 C ATOM 145 CD2 LEU A 10 67.420 1.206 0.752 1.00 0.00 C ATOM 0 H LEU A 10 64.428 3.778 -1.100 1.00 0.00 H new ATOM 0 HA LEU A 10 63.452 1.646 0.508 1.00 0.00 H new ATOM 0 HB2 LEU A 10 65.832 3.512 0.580 1.00 0.00 H new ATOM 0 HB3 LEU A 10 65.514 2.528 1.995 1.00 0.00 H new ATOM 0 HG LEU A 10 65.404 0.493 0.429 1.00 0.00 H new ATOM 0 HD11 LEU A 10 66.504 0.753 -1.771 1.00 0.00 H new ATOM 0 HD12 LEU A 10 65.034 1.750 -1.668 1.00 0.00 H new ATOM 0 HD13 LEU A 10 66.636 2.507 -1.500 1.00 0.00 H new ATOM 0 HD21 LEU A 10 67.885 0.350 0.263 1.00 0.00 H new ATOM 0 HD22 LEU A 10 68.002 2.104 0.542 1.00 0.00 H new ATOM 0 HD23 LEU A 10 67.390 1.037 1.828 1.00 0.00 H new ATOM 157 N ILE A 11 63.236 4.647 1.901 1.00 0.00 N ATOM 158 CA ILE A 11 62.563 5.349 3.030 1.00 0.00 C ATOM 159 C ILE A 11 61.054 5.117 2.954 1.00 0.00 C ATOM 160 O ILE A 11 60.428 4.719 3.916 1.00 0.00 O ATOM 161 CB ILE A 11 62.846 6.851 2.942 1.00 0.00 C ATOM 162 CG1 ILE A 11 64.358 7.090 3.021 1.00 0.00 C ATOM 163 CG2 ILE A 11 62.148 7.572 4.105 1.00 0.00 C ATOM 164 CD1 ILE A 11 64.673 8.554 2.686 1.00 0.00 C ATOM 0 H ILE A 11 63.764 5.245 1.266 1.00 0.00 H new ATOM 0 HA ILE A 11 62.945 4.958 3.973 1.00 0.00 H new ATOM 0 HB ILE A 11 62.467 7.239 1.997 1.00 0.00 H new ATOM 0 HG12 ILE A 11 64.721 6.850 4.020 1.00 0.00 H new ATOM 0 HG13 ILE A 11 64.876 6.429 2.326 1.00 0.00 H new ATOM 0 HG21 ILE A 11 62.349 8.642 4.043 1.00 0.00 H new ATOM 0 HG22 ILE A 11 61.073 7.401 4.047 1.00 0.00 H new ATOM 0 HG23 ILE A 11 62.526 7.186 5.052 1.00 0.00 H new ATOM 0 HD11 ILE A 11 65.749 8.717 2.744 1.00 0.00 H new ATOM 0 HD12 ILE A 11 64.326 8.779 1.678 1.00 0.00 H new ATOM 0 HD13 ILE A 11 64.168 9.207 3.398 1.00 0.00 H new ATOM 176 N ASP A 12 60.461 5.365 1.817 1.00 0.00 N ATOM 177 CA ASP A 12 58.992 5.161 1.690 1.00 0.00 C ATOM 178 C ASP A 12 58.663 3.676 1.853 1.00 0.00 C ATOM 179 O ASP A 12 57.706 3.312 2.506 1.00 0.00 O ATOM 180 CB ASP A 12 58.529 5.637 0.311 1.00 0.00 C ATOM 181 CG ASP A 12 58.621 7.162 0.237 1.00 0.00 C ATOM 182 OD1 ASP A 12 58.483 7.794 1.271 1.00 0.00 O ATOM 183 OD2 ASP A 12 58.829 7.671 -0.852 1.00 0.00 O ATOM 0 H ASP A 12 60.929 5.699 0.975 1.00 0.00 H new ATOM 0 HA ASP A 12 58.480 5.732 2.464 1.00 0.00 H new ATOM 0 HB2 ASP A 12 59.147 5.187 -0.466 1.00 0.00 H new ATOM 0 HB3 ASP A 12 57.504 5.315 0.129 1.00 0.00 H new ATOM 188 N VAL A 13 59.449 2.816 1.269 1.00 0.00 N ATOM 189 CA VAL A 13 59.174 1.361 1.405 1.00 0.00 C ATOM 190 C VAL A 13 59.464 0.924 2.846 1.00 0.00 C ATOM 191 O VAL A 13 58.713 0.184 3.446 1.00 0.00 O ATOM 192 CB VAL A 13 60.056 0.574 0.428 1.00 0.00 C ATOM 193 CG1 VAL A 13 59.927 -0.928 0.707 1.00 0.00 C ATOM 194 CG2 VAL A 13 59.609 0.864 -1.009 1.00 0.00 C ATOM 0 H VAL A 13 60.265 3.057 0.707 1.00 0.00 H new ATOM 0 HA VAL A 13 58.128 1.162 1.172 1.00 0.00 H new ATOM 0 HB VAL A 13 61.095 0.877 0.558 1.00 0.00 H new ATOM 0 HG11 VAL A 13 60.555 -1.483 0.010 1.00 0.00 H new ATOM 0 HG12 VAL A 13 60.245 -1.137 1.728 1.00 0.00 H new ATOM 0 HG13 VAL A 13 58.888 -1.234 0.581 1.00 0.00 H new ATOM 0 HG21 VAL A 13 60.235 0.305 -1.705 1.00 0.00 H new ATOM 0 HG22 VAL A 13 58.569 0.563 -1.134 1.00 0.00 H new ATOM 0 HG23 VAL A 13 59.704 1.931 -1.211 1.00 0.00 H new ATOM 204 N PHE A 14 60.554 1.371 3.405 1.00 0.00 N ATOM 205 CA PHE A 14 60.894 0.971 4.801 1.00 0.00 C ATOM 206 C PHE A 14 59.799 1.419 5.777 1.00 0.00 C ATOM 207 O PHE A 14 59.304 0.640 6.567 1.00 0.00 O ATOM 208 CB PHE A 14 62.218 1.634 5.193 1.00 0.00 C ATOM 209 CG PHE A 14 62.534 1.350 6.645 1.00 0.00 C ATOM 210 CD1 PHE A 14 62.064 2.213 7.644 1.00 0.00 C ATOM 211 CD2 PHE A 14 63.308 0.237 6.990 1.00 0.00 C ATOM 212 CE1 PHE A 14 62.367 1.961 8.987 1.00 0.00 C ATOM 213 CE2 PHE A 14 63.610 -0.016 8.334 1.00 0.00 C ATOM 214 CZ PHE A 14 63.140 0.846 9.332 1.00 0.00 C ATOM 0 H PHE A 14 61.224 1.996 2.957 1.00 0.00 H new ATOM 0 HA PHE A 14 60.979 -0.115 4.849 1.00 0.00 H new ATOM 0 HB2 PHE A 14 63.022 1.261 4.558 1.00 0.00 H new ATOM 0 HB3 PHE A 14 62.157 2.710 5.030 1.00 0.00 H new ATOM 0 HD1 PHE A 14 61.468 3.073 7.377 1.00 0.00 H new ATOM 0 HD2 PHE A 14 63.673 -0.427 6.220 1.00 0.00 H new ATOM 0 HE1 PHE A 14 62.005 2.626 9.757 1.00 0.00 H new ATOM 0 HE2 PHE A 14 64.206 -0.876 8.601 1.00 0.00 H new ATOM 0 HZ PHE A 14 63.374 0.651 10.368 1.00 0.00 H new ATOM 224 N HIS A 15 59.467 2.682 5.775 1.00 0.00 N ATOM 225 CA HIS A 15 58.463 3.200 6.749 1.00 0.00 C ATOM 226 C HIS A 15 57.106 2.512 6.599 1.00 0.00 C ATOM 227 O HIS A 15 56.472 2.197 7.586 1.00 0.00 O ATOM 228 CB HIS A 15 58.295 4.706 6.537 1.00 0.00 C ATOM 229 CG HIS A 15 57.285 5.244 7.514 1.00 0.00 C ATOM 230 ND1 HIS A 15 55.930 5.311 7.217 1.00 0.00 N ATOM 231 CD2 HIS A 15 57.416 5.744 8.786 1.00 0.00 C ATOM 232 CE1 HIS A 15 55.306 5.834 8.289 1.00 0.00 C ATOM 233 NE2 HIS A 15 56.166 6.115 9.269 1.00 0.00 N ATOM 0 H HIS A 15 59.850 3.380 5.138 1.00 0.00 H new ATOM 0 HA HIS A 15 58.829 2.989 7.754 1.00 0.00 H new ATOM 0 HB2 HIS A 15 59.251 5.211 6.672 1.00 0.00 H new ATOM 0 HB3 HIS A 15 57.970 4.906 5.516 1.00 0.00 H new ATOM 0 HD1 HIS A 15 55.488 5.018 6.346 1.00 0.00 H new ATOM 0 HD2 HIS A 15 58.346 5.835 9.328 1.00 0.00 H new ATOM 0 HE1 HIS A 15 54.241 6.005 8.348 1.00 0.00 H new ATOM 242 N GLN A 16 56.628 2.268 5.411 1.00 0.00 N ATOM 243 CA GLN A 16 55.297 1.599 5.304 1.00 0.00 C ATOM 244 C GLN A 16 55.413 0.144 5.767 1.00 0.00 C ATOM 245 O GLN A 16 54.547 -0.372 6.446 1.00 0.00 O ATOM 246 CB GLN A 16 54.805 1.640 3.848 1.00 0.00 C ATOM 247 CG GLN A 16 54.223 3.022 3.516 1.00 0.00 C ATOM 248 CD GLN A 16 55.351 4.047 3.397 1.00 0.00 C ATOM 249 OE1 GLN A 16 55.984 4.385 4.375 1.00 0.00 O ATOM 250 NE2 GLN A 16 55.622 4.565 2.232 1.00 0.00 N ATOM 0 H GLN A 16 57.086 2.495 4.528 1.00 0.00 H new ATOM 0 HA GLN A 16 54.582 2.125 5.937 1.00 0.00 H new ATOM 0 HB2 GLN A 16 55.630 1.415 3.173 1.00 0.00 H new ATOM 0 HB3 GLN A 16 54.047 0.873 3.692 1.00 0.00 H new ATOM 0 HG2 GLN A 16 53.662 2.975 2.582 1.00 0.00 H new ATOM 0 HG3 GLN A 16 53.523 3.328 4.293 1.00 0.00 H new ATOM 0 HE21 GLN A 16 55.089 4.280 1.411 1.00 0.00 H new ATOM 0 HE22 GLN A 16 56.367 5.256 2.142 1.00 0.00 H new ATOM 259 N TYR A 17 56.477 -0.519 5.412 1.00 0.00 N ATOM 260 CA TYR A 17 56.644 -1.938 5.843 1.00 0.00 C ATOM 261 C TYR A 17 56.973 -1.992 7.340 1.00 0.00 C ATOM 262 O TYR A 17 56.440 -2.803 8.072 1.00 0.00 O ATOM 263 CB TYR A 17 57.776 -2.594 5.023 1.00 0.00 C ATOM 264 CG TYR A 17 57.214 -3.235 3.770 1.00 0.00 C ATOM 265 CD1 TYR A 17 57.062 -2.488 2.596 1.00 0.00 C ATOM 266 CD2 TYR A 17 56.842 -4.585 3.792 1.00 0.00 C ATOM 267 CE1 TYR A 17 56.542 -3.090 1.445 1.00 0.00 C ATOM 268 CE2 TYR A 17 56.322 -5.186 2.641 1.00 0.00 C ATOM 269 CZ TYR A 17 56.172 -4.440 1.468 1.00 0.00 C ATOM 270 OH TYR A 17 55.659 -5.031 0.332 1.00 0.00 O ATOM 0 H TYR A 17 57.237 -0.143 4.844 1.00 0.00 H new ATOM 0 HA TYR A 17 55.716 -2.483 5.670 1.00 0.00 H new ATOM 0 HB2 TYR A 17 58.521 -1.845 4.754 1.00 0.00 H new ATOM 0 HB3 TYR A 17 58.284 -3.345 5.628 1.00 0.00 H new ATOM 0 HD1 TYR A 17 57.346 -1.446 2.579 1.00 0.00 H new ATOM 0 HD2 TYR A 17 56.957 -5.162 4.698 1.00 0.00 H new ATOM 0 HE1 TYR A 17 56.426 -2.513 0.539 1.00 0.00 H new ATOM 0 HE2 TYR A 17 56.036 -6.227 2.658 1.00 0.00 H new ATOM 0 HH TYR A 17 56.394 -5.301 -0.257 1.00 0.00 H new ATOM 280 N SER A 18 57.857 -1.148 7.801 1.00 0.00 N ATOM 281 CA SER A 18 58.232 -1.162 9.244 1.00 0.00 C ATOM 282 C SER A 18 57.088 -0.621 10.107 1.00 0.00 C ATOM 283 O SER A 18 57.006 -0.906 11.284 1.00 0.00 O ATOM 284 CB SER A 18 59.474 -0.293 9.442 1.00 0.00 C ATOM 285 OG SER A 18 59.851 -0.314 10.813 1.00 0.00 O ATOM 0 H SER A 18 58.337 -0.447 7.237 1.00 0.00 H new ATOM 0 HA SER A 18 58.437 -2.189 9.547 1.00 0.00 H new ATOM 0 HB2 SER A 18 60.292 -0.662 8.823 1.00 0.00 H new ATOM 0 HB3 SER A 18 59.270 0.730 9.125 1.00 0.00 H new ATOM 0 HG SER A 18 60.648 0.241 10.942 1.00 0.00 H new ATOM 291 N GLY A 19 56.206 0.162 9.541 1.00 0.00 N ATOM 292 CA GLY A 19 55.074 0.723 10.340 1.00 0.00 C ATOM 293 C GLY A 19 53.882 -0.237 10.306 1.00 0.00 C ATOM 294 O GLY A 19 52.762 0.147 10.580 1.00 0.00 O ATOM 0 H GLY A 19 56.220 0.438 8.559 1.00 0.00 H new ATOM 0 HA2 GLY A 19 55.391 0.886 11.370 1.00 0.00 H new ATOM 0 HA3 GLY A 19 54.781 1.694 9.939 1.00 0.00 H new ATOM 298 N ARG A 20 54.107 -1.483 9.996 1.00 0.00 N ATOM 299 CA ARG A 20 52.978 -2.457 9.975 1.00 0.00 C ATOM 300 C ARG A 20 52.510 -2.722 11.410 1.00 0.00 C ATOM 301 O ARG A 20 51.332 -2.844 11.680 1.00 0.00 O ATOM 302 CB ARG A 20 53.431 -3.765 9.319 1.00 0.00 C ATOM 303 CG ARG A 20 52.239 -4.719 9.206 1.00 0.00 C ATOM 304 CD ARG A 20 52.681 -6.027 8.546 1.00 0.00 C ATOM 305 NE ARG A 20 51.492 -6.901 8.338 1.00 0.00 N ATOM 306 CZ ARG A 20 51.582 -7.955 7.574 1.00 0.00 C ATOM 307 NH1 ARG A 20 52.708 -8.235 6.977 1.00 0.00 N ATOM 308 NH2 ARG A 20 50.544 -8.726 7.405 1.00 0.00 N ATOM 0 H ARG A 20 55.020 -1.869 9.757 1.00 0.00 H new ATOM 0 HA ARG A 20 52.151 -2.044 9.397 1.00 0.00 H new ATOM 0 HB2 ARG A 20 53.845 -3.564 8.331 1.00 0.00 H new ATOM 0 HB3 ARG A 20 54.224 -4.225 9.909 1.00 0.00 H new ATOM 0 HG2 ARG A 20 51.828 -4.921 10.195 1.00 0.00 H new ATOM 0 HG3 ARG A 20 51.445 -4.256 8.620 1.00 0.00 H new ATOM 0 HD2 ARG A 20 53.166 -5.820 7.592 1.00 0.00 H new ATOM 0 HD3 ARG A 20 53.414 -6.534 9.173 1.00 0.00 H new ATOM 0 HE ARG A 20 50.607 -6.675 8.793 1.00 0.00 H new ATOM 0 HH11 ARG A 20 53.519 -7.630 7.107 1.00 0.00 H new ATOM 0 HH12 ARG A 20 52.778 -9.059 6.380 1.00 0.00 H new ATOM 0 HH21 ARG A 20 49.663 -8.505 7.870 1.00 0.00 H new ATOM 0 HH22 ARG A 20 50.613 -9.550 6.808 1.00 0.00 H new ATOM 322 N GLU A 21 53.433 -2.819 12.331 1.00 0.00 N ATOM 323 CA GLU A 21 53.057 -3.085 13.751 1.00 0.00 C ATOM 324 C GLU A 21 54.257 -2.797 14.657 1.00 0.00 C ATOM 325 O GLU A 21 55.383 -2.747 14.211 1.00 0.00 O ATOM 326 CB GLU A 21 52.633 -4.553 13.896 1.00 0.00 C ATOM 327 CG GLU A 21 52.221 -4.841 15.345 1.00 0.00 C ATOM 328 CD GLU A 21 51.647 -6.255 15.440 1.00 0.00 C ATOM 329 OE1 GLU A 21 51.513 -6.892 14.408 1.00 0.00 O ATOM 330 OE2 GLU A 21 51.352 -6.679 16.546 1.00 0.00 O ATOM 0 H GLU A 21 54.434 -2.725 12.160 1.00 0.00 H new ATOM 0 HA GLU A 21 52.227 -2.440 14.040 1.00 0.00 H new ATOM 0 HB2 GLU A 21 51.802 -4.768 13.224 1.00 0.00 H new ATOM 0 HB3 GLU A 21 53.455 -5.208 13.606 1.00 0.00 H new ATOM 0 HG2 GLU A 21 53.082 -4.741 16.006 1.00 0.00 H new ATOM 0 HG3 GLU A 21 51.480 -4.113 15.675 1.00 0.00 H new ATOM 337 N GLY A 22 54.027 -2.603 15.929 1.00 0.00 N ATOM 338 CA GLY A 22 55.157 -2.323 16.865 1.00 0.00 C ATOM 339 C GLY A 22 55.350 -0.814 17.007 1.00 0.00 C ATOM 340 O GLY A 22 54.689 -0.031 16.355 1.00 0.00 O ATOM 0 H GLY A 22 53.104 -2.626 16.361 1.00 0.00 H new ATOM 0 HA2 GLY A 22 54.952 -2.766 17.840 1.00 0.00 H new ATOM 0 HA3 GLY A 22 56.072 -2.782 16.492 1.00 0.00 H new ATOM 344 N ASP A 23 56.247 -0.403 17.863 1.00 0.00 N ATOM 345 CA ASP A 23 56.487 1.056 18.059 1.00 0.00 C ATOM 346 C ASP A 23 56.686 1.736 16.703 1.00 0.00 C ATOM 347 O ASP A 23 55.739 2.035 16.002 1.00 0.00 O ATOM 348 CB ASP A 23 57.739 1.253 18.916 1.00 0.00 C ATOM 349 CG ASP A 23 57.459 0.788 20.346 1.00 0.00 C ATOM 350 OD1 ASP A 23 56.304 0.804 20.738 1.00 0.00 O ATOM 351 OD2 ASP A 23 58.404 0.419 21.023 1.00 0.00 O ATOM 0 H ASP A 23 56.825 -1.017 18.437 1.00 0.00 H new ATOM 0 HA ASP A 23 55.626 1.499 18.559 1.00 0.00 H new ATOM 0 HB2 ASP A 23 58.572 0.689 18.496 1.00 0.00 H new ATOM 0 HB3 ASP A 23 58.032 2.303 18.915 1.00 0.00 H new ATOM 356 N LYS A 24 57.913 1.986 16.326 1.00 0.00 N ATOM 357 CA LYS A 24 58.169 2.650 15.015 1.00 0.00 C ATOM 358 C LYS A 24 59.673 2.677 14.729 1.00 0.00 C ATOM 359 O LYS A 24 60.449 3.124 15.548 1.00 0.00 O ATOM 360 CB LYS A 24 57.658 4.094 15.072 1.00 0.00 C ATOM 361 CG LYS A 24 57.830 4.765 13.706 1.00 0.00 C ATOM 362 CD LYS A 24 57.355 6.215 13.793 1.00 0.00 C ATOM 363 CE LYS A 24 57.529 6.892 12.432 1.00 0.00 C ATOM 364 NZ LYS A 24 57.096 8.314 12.526 1.00 0.00 N ATOM 0 H LYS A 24 58.747 1.759 16.868 1.00 0.00 H new ATOM 0 HA LYS A 24 57.655 2.096 14.230 1.00 0.00 H new ATOM 0 HB2 LYS A 24 56.607 4.105 15.362 1.00 0.00 H new ATOM 0 HB3 LYS A 24 58.205 4.652 15.832 1.00 0.00 H new ATOM 0 HG2 LYS A 24 58.876 4.730 13.400 1.00 0.00 H new ATOM 0 HG3 LYS A 24 57.258 4.228 12.949 1.00 0.00 H new ATOM 0 HD2 LYS A 24 56.309 6.248 14.096 1.00 0.00 H new ATOM 0 HD3 LYS A 24 57.924 6.750 14.553 1.00 0.00 H new ATOM 0 HE2 LYS A 24 58.571 6.838 12.118 1.00 0.00 H new ATOM 0 HE3 LYS A 24 56.941 6.371 11.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 57.214 8.775 11.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 56.096 8.354 12.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 57.675 8.807 13.235 1.00 0.00 H new ATOM 378 N HIS A 25 60.078 2.201 13.570 1.00 0.00 N ATOM 379 CA HIS A 25 61.528 2.190 13.182 1.00 0.00 C ATOM 380 C HIS A 25 62.219 0.945 13.754 1.00 0.00 C ATOM 381 O HIS A 25 63.399 0.736 13.550 1.00 0.00 O ATOM 382 CB HIS A 25 62.203 3.472 13.706 1.00 0.00 C ATOM 383 CG HIS A 25 63.347 3.881 12.818 1.00 0.00 C ATOM 384 ND1 HIS A 25 64.668 3.797 13.235 1.00 0.00 N ATOM 385 CD2 HIS A 25 63.385 4.399 11.548 1.00 0.00 C ATOM 386 CE1 HIS A 25 65.438 4.258 12.233 1.00 0.00 C ATOM 387 NE2 HIS A 25 64.705 4.635 11.185 1.00 0.00 N ATOM 0 H HIS A 25 59.451 1.813 12.865 1.00 0.00 H new ATOM 0 HA HIS A 25 61.615 2.159 12.096 1.00 0.00 H new ATOM 0 HB2 HIS A 25 61.471 4.278 13.756 1.00 0.00 H new ATOM 0 HB3 HIS A 25 62.566 3.307 14.720 1.00 0.00 H new ATOM 0 HD2 HIS A 25 62.523 4.593 10.927 1.00 0.00 H new ATOM 0 HE1 HIS A 25 66.516 4.316 12.272 1.00 0.00 H new ATOM 0 HE2 HIS A 25 65.043 5.017 10.302 1.00 0.00 H new ATOM 396 N LYS A 26 61.490 0.110 14.453 1.00 0.00 N ATOM 397 CA LYS A 26 62.090 -1.139 15.027 1.00 0.00 C ATOM 398 C LYS A 26 61.535 -2.358 14.280 1.00 0.00 C ATOM 399 O LYS A 26 60.344 -2.595 14.281 1.00 0.00 O ATOM 400 CB LYS A 26 61.713 -1.239 16.507 1.00 0.00 C ATOM 401 CG LYS A 26 62.434 -0.137 17.287 1.00 0.00 C ATOM 402 CD LYS A 26 62.064 -0.227 18.769 1.00 0.00 C ATOM 403 CE LYS A 26 62.782 0.882 19.539 1.00 0.00 C ATOM 404 NZ LYS A 26 62.214 2.201 19.139 1.00 0.00 N ATOM 0 H LYS A 26 60.498 0.239 14.653 1.00 0.00 H new ATOM 0 HA LYS A 26 63.175 -1.110 14.922 1.00 0.00 H new ATOM 0 HB2 LYS A 26 60.634 -1.139 16.627 1.00 0.00 H new ATOM 0 HB3 LYS A 26 61.988 -2.218 16.899 1.00 0.00 H new ATOM 0 HG2 LYS A 26 63.512 -0.238 17.165 1.00 0.00 H new ATOM 0 HG3 LYS A 26 62.159 0.841 16.892 1.00 0.00 H new ATOM 0 HD2 LYS A 26 60.985 -0.131 18.892 1.00 0.00 H new ATOM 0 HD3 LYS A 26 62.345 -1.202 19.167 1.00 0.00 H new ATOM 0 HE2 LYS A 26 62.664 0.732 20.612 1.00 0.00 H new ATOM 0 HE3 LYS A 26 63.851 0.854 19.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 62.449 2.913 19.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 62.616 2.489 18.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 61.180 2.122 19.054 1.00 0.00 H new ATOM 418 N LEU A 27 62.380 -3.138 13.643 1.00 0.00 N ATOM 419 CA LEU A 27 61.872 -4.341 12.903 1.00 0.00 C ATOM 420 C LEU A 27 62.005 -5.581 13.792 1.00 0.00 C ATOM 421 O LEU A 27 63.079 -5.936 14.236 1.00 0.00 O ATOM 422 CB LEU A 27 62.685 -4.536 11.614 1.00 0.00 C ATOM 423 CG LEU A 27 62.155 -3.607 10.513 1.00 0.00 C ATOM 424 CD1 LEU A 27 62.405 -2.148 10.905 1.00 0.00 C ATOM 425 CD2 LEU A 27 62.880 -3.911 9.198 1.00 0.00 C ATOM 0 H LEU A 27 63.389 -2.996 13.603 1.00 0.00 H new ATOM 0 HA LEU A 27 60.823 -4.193 12.645 1.00 0.00 H new ATOM 0 HB2 LEU A 27 63.738 -4.326 11.803 1.00 0.00 H new ATOM 0 HB3 LEU A 27 62.621 -5.574 11.287 1.00 0.00 H new ATOM 0 HG LEU A 27 61.085 -3.770 10.388 1.00 0.00 H new ATOM 0 HD11 LEU A 27 62.028 -1.491 10.121 1.00 0.00 H new ATOM 0 HD12 LEU A 27 61.891 -1.929 11.841 1.00 0.00 H new ATOM 0 HD13 LEU A 27 63.475 -1.984 11.032 1.00 0.00 H new ATOM 0 HD21 LEU A 27 62.505 -3.252 8.415 1.00 0.00 H new ATOM 0 HD22 LEU A 27 63.950 -3.749 9.327 1.00 0.00 H new ATOM 0 HD23 LEU A 27 62.702 -4.949 8.916 1.00 0.00 H new ATOM 437 N LYS A 28 60.903 -6.230 14.061 1.00 0.00 N ATOM 438 CA LYS A 28 60.915 -7.445 14.931 1.00 0.00 C ATOM 439 C LYS A 28 61.083 -8.706 14.075 1.00 0.00 C ATOM 440 O LYS A 28 60.867 -8.695 12.880 1.00 0.00 O ATOM 441 CB LYS A 28 59.591 -7.521 15.695 1.00 0.00 C ATOM 442 CG LYS A 28 59.513 -6.359 16.687 1.00 0.00 C ATOM 443 CD LYS A 28 58.193 -6.424 17.459 1.00 0.00 C ATOM 444 CE LYS A 28 58.126 -5.257 18.447 1.00 0.00 C ATOM 445 NZ LYS A 28 56.750 -5.161 19.012 1.00 0.00 N ATOM 0 H LYS A 28 59.982 -5.967 13.710 1.00 0.00 H new ATOM 0 HA LYS A 28 61.748 -7.381 15.631 1.00 0.00 H new ATOM 0 HB2 LYS A 28 58.753 -7.477 14.999 1.00 0.00 H new ATOM 0 HB3 LYS A 28 59.517 -8.471 16.224 1.00 0.00 H new ATOM 0 HG2 LYS A 28 60.353 -6.404 17.380 1.00 0.00 H new ATOM 0 HG3 LYS A 28 59.588 -5.410 16.156 1.00 0.00 H new ATOM 0 HD2 LYS A 28 57.352 -6.379 16.768 1.00 0.00 H new ATOM 0 HD3 LYS A 28 58.117 -7.372 17.992 1.00 0.00 H new ATOM 0 HE2 LYS A 28 58.850 -5.403 19.248 1.00 0.00 H new ATOM 0 HE3 LYS A 28 58.390 -4.326 17.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 56.705 -4.368 19.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 56.069 -5.002 18.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 56.515 -6.046 19.505 1.00 0.00 H new ATOM 459 N LYS A 29 61.470 -9.791 14.689 1.00 0.00 N ATOM 460 CA LYS A 29 61.664 -11.066 13.936 1.00 0.00 C ATOM 461 C LYS A 29 60.404 -11.379 13.119 1.00 0.00 C ATOM 462 O LYS A 29 60.475 -11.687 11.946 1.00 0.00 O ATOM 463 CB LYS A 29 61.911 -12.182 14.959 1.00 0.00 C ATOM 464 CG LYS A 29 62.114 -13.530 14.261 1.00 0.00 C ATOM 465 CD LYS A 29 62.358 -14.609 15.328 1.00 0.00 C ATOM 466 CE LYS A 29 62.559 -15.982 14.670 1.00 0.00 C ATOM 467 NZ LYS A 29 63.998 -16.161 14.329 1.00 0.00 N ATOM 0 H LYS A 29 61.662 -9.850 15.689 1.00 0.00 H new ATOM 0 HA LYS A 29 62.509 -10.983 13.253 1.00 0.00 H new ATOM 0 HB2 LYS A 29 62.789 -11.943 15.559 1.00 0.00 H new ATOM 0 HB3 LYS A 29 61.065 -12.246 15.644 1.00 0.00 H new ATOM 0 HG2 LYS A 29 61.238 -13.781 13.664 1.00 0.00 H new ATOM 0 HG3 LYS A 29 62.961 -13.477 13.577 1.00 0.00 H new ATOM 0 HD2 LYS A 29 63.236 -14.351 15.920 1.00 0.00 H new ATOM 0 HD3 LYS A 29 61.512 -14.648 16.014 1.00 0.00 H new ATOM 0 HE2 LYS A 29 62.233 -16.773 15.346 1.00 0.00 H new ATOM 0 HE3 LYS A 29 61.948 -16.059 13.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 64.102 -16.957 13.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 64.360 -15.293 13.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 64.538 -16.359 15.196 1.00 0.00 H new ATOM 481 N SER A 30 59.254 -11.291 13.725 1.00 0.00 N ATOM 482 CA SER A 30 57.987 -11.569 12.985 1.00 0.00 C ATOM 483 C SER A 30 57.849 -10.596 11.808 1.00 0.00 C ATOM 484 O SER A 30 57.436 -10.960 10.725 1.00 0.00 O ATOM 485 CB SER A 30 56.798 -11.400 13.930 1.00 0.00 C ATOM 486 OG SER A 30 56.896 -12.354 14.979 1.00 0.00 O ATOM 0 H SER A 30 59.134 -11.037 14.706 1.00 0.00 H new ATOM 0 HA SER A 30 58.009 -12.590 12.605 1.00 0.00 H new ATOM 0 HB2 SER A 30 56.785 -10.390 14.340 1.00 0.00 H new ATOM 0 HB3 SER A 30 55.863 -11.535 13.386 1.00 0.00 H new ATOM 0 HG SER A 30 56.136 -12.249 15.589 1.00 0.00 H new ATOM 492 N GLU A 31 58.207 -9.364 12.024 1.00 0.00 N ATOM 493 CA GLU A 31 58.119 -8.351 10.934 1.00 0.00 C ATOM 494 C GLU A 31 59.180 -8.670 9.880 1.00 0.00 C ATOM 495 O GLU A 31 58.955 -8.568 8.691 1.00 0.00 O ATOM 496 CB GLU A 31 58.367 -6.958 11.514 1.00 0.00 C ATOM 497 CG GLU A 31 57.189 -6.572 12.409 1.00 0.00 C ATOM 498 CD GLU A 31 57.432 -5.188 13.006 1.00 0.00 C ATOM 499 OE1 GLU A 31 58.507 -4.652 12.795 1.00 0.00 O ATOM 500 OE2 GLU A 31 56.539 -4.689 13.665 1.00 0.00 O ATOM 0 H GLU A 31 58.559 -9.011 12.914 1.00 0.00 H new ATOM 0 HA GLU A 31 57.129 -8.376 10.478 1.00 0.00 H new ATOM 0 HB2 GLU A 31 59.294 -6.949 12.088 1.00 0.00 H new ATOM 0 HB3 GLU A 31 58.483 -6.231 10.710 1.00 0.00 H new ATOM 0 HG2 GLU A 31 56.265 -6.573 11.831 1.00 0.00 H new ATOM 0 HG3 GLU A 31 57.068 -7.307 13.205 1.00 0.00 H new ATOM 507 N LEU A 32 60.336 -9.066 10.330 1.00 0.00 N ATOM 508 CA LEU A 32 61.440 -9.413 9.391 1.00 0.00 C ATOM 509 C LEU A 32 61.002 -10.563 8.476 1.00 0.00 C ATOM 510 O LEU A 32 61.162 -10.510 7.274 1.00 0.00 O ATOM 511 CB LEU A 32 62.671 -9.837 10.200 1.00 0.00 C ATOM 512 CG LEU A 32 63.821 -10.242 9.265 1.00 0.00 C ATOM 513 CD1 LEU A 32 64.215 -9.062 8.361 1.00 0.00 C ATOM 514 CD2 LEU A 32 65.023 -10.667 10.115 1.00 0.00 C ATOM 0 H LEU A 32 60.567 -9.166 11.319 1.00 0.00 H new ATOM 0 HA LEU A 32 61.684 -8.546 8.778 1.00 0.00 H new ATOM 0 HB2 LEU A 32 62.990 -9.017 10.843 1.00 0.00 H new ATOM 0 HB3 LEU A 32 62.414 -10.672 10.852 1.00 0.00 H new ATOM 0 HG LEU A 32 63.500 -11.070 8.633 1.00 0.00 H new ATOM 0 HD11 LEU A 32 65.031 -9.364 7.704 1.00 0.00 H new ATOM 0 HD12 LEU A 32 63.357 -8.762 7.760 1.00 0.00 H new ATOM 0 HD13 LEU A 32 64.537 -8.223 8.978 1.00 0.00 H new ATOM 0 HD21 LEU A 32 65.846 -10.957 9.462 1.00 0.00 H new ATOM 0 HD22 LEU A 32 65.336 -9.834 10.745 1.00 0.00 H new ATOM 0 HD23 LEU A 32 64.743 -11.513 10.744 1.00 0.00 H new ATOM 526 N LYS A 33 60.463 -11.606 9.043 1.00 0.00 N ATOM 527 CA LYS A 33 60.026 -12.772 8.219 1.00 0.00 C ATOM 528 C LYS A 33 58.959 -12.346 7.205 1.00 0.00 C ATOM 529 O LYS A 33 58.952 -12.789 6.074 1.00 0.00 O ATOM 530 CB LYS A 33 59.450 -13.847 9.146 1.00 0.00 C ATOM 531 CG LYS A 33 59.033 -15.068 8.324 1.00 0.00 C ATOM 532 CD LYS A 33 58.496 -16.158 9.251 1.00 0.00 C ATOM 533 CE LYS A 33 58.098 -17.372 8.413 1.00 0.00 C ATOM 534 NZ LYS A 33 59.316 -17.947 7.777 1.00 0.00 N ATOM 0 H LYS A 33 60.305 -11.703 10.046 1.00 0.00 H new ATOM 0 HA LYS A 33 60.884 -13.165 7.674 1.00 0.00 H new ATOM 0 HB2 LYS A 33 60.192 -14.134 9.891 1.00 0.00 H new ATOM 0 HB3 LYS A 33 58.591 -13.451 9.688 1.00 0.00 H new ATOM 0 HG2 LYS A 33 58.270 -14.786 7.599 1.00 0.00 H new ATOM 0 HG3 LYS A 33 59.885 -15.446 7.759 1.00 0.00 H new ATOM 0 HD2 LYS A 33 59.254 -16.438 9.982 1.00 0.00 H new ATOM 0 HD3 LYS A 33 57.636 -15.788 9.809 1.00 0.00 H new ATOM 0 HE2 LYS A 33 57.613 -18.120 9.041 1.00 0.00 H new ATOM 0 HE3 LYS A 33 57.377 -17.081 7.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 59.141 -18.941 7.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 59.545 -17.409 6.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 60.114 -17.892 8.442 1.00 0.00 H new ATOM 548 N GLU A 34 58.052 -11.500 7.604 1.00 0.00 N ATOM 549 CA GLU A 34 56.981 -11.063 6.663 1.00 0.00 C ATOM 550 C GLU A 34 57.595 -10.381 5.442 1.00 0.00 C ATOM 551 O GLU A 34 57.220 -10.644 4.318 1.00 0.00 O ATOM 552 CB GLU A 34 56.041 -10.090 7.377 1.00 0.00 C ATOM 553 CG GLU A 34 55.215 -10.849 8.415 1.00 0.00 C ATOM 554 CD GLU A 34 54.190 -11.729 7.698 1.00 0.00 C ATOM 555 OE1 GLU A 34 53.726 -11.323 6.644 1.00 0.00 O ATOM 556 OE2 GLU A 34 53.888 -12.793 8.211 1.00 0.00 O ATOM 0 H GLU A 34 58.005 -11.092 8.538 1.00 0.00 H new ATOM 0 HA GLU A 34 56.421 -11.938 6.332 1.00 0.00 H new ATOM 0 HB2 GLU A 34 56.616 -9.301 7.861 1.00 0.00 H new ATOM 0 HB3 GLU A 34 55.383 -9.607 6.655 1.00 0.00 H new ATOM 0 HG2 GLU A 34 55.866 -11.462 9.037 1.00 0.00 H new ATOM 0 HG3 GLU A 34 54.709 -10.147 9.078 1.00 0.00 H new ATOM 563 N LEU A 35 58.531 -9.506 5.654 1.00 0.00 N ATOM 564 CA LEU A 35 59.168 -8.799 4.506 1.00 0.00 C ATOM 565 C LEU A 35 59.833 -9.806 3.562 1.00 0.00 C ATOM 566 O LEU A 35 59.647 -9.765 2.362 1.00 0.00 O ATOM 567 CB LEU A 35 60.217 -7.823 5.048 1.00 0.00 C ATOM 568 CG LEU A 35 60.903 -7.074 3.897 1.00 0.00 C ATOM 569 CD1 LEU A 35 59.866 -6.276 3.088 1.00 0.00 C ATOM 570 CD2 LEU A 35 61.943 -6.116 4.486 1.00 0.00 C ATOM 0 H LEU A 35 58.886 -9.246 6.574 1.00 0.00 H new ATOM 0 HA LEU A 35 58.407 -8.255 3.947 1.00 0.00 H new ATOM 0 HB2 LEU A 35 59.744 -7.109 5.723 1.00 0.00 H new ATOM 0 HB3 LEU A 35 60.961 -8.367 5.630 1.00 0.00 H new ATOM 0 HG LEU A 35 61.386 -7.791 3.233 1.00 0.00 H new ATOM 0 HD11 LEU A 35 60.366 -5.750 2.275 1.00 0.00 H new ATOM 0 HD12 LEU A 35 59.123 -6.958 2.676 1.00 0.00 H new ATOM 0 HD13 LEU A 35 59.374 -5.554 3.739 1.00 0.00 H new ATOM 0 HD21 LEU A 35 62.439 -5.576 3.679 1.00 0.00 H new ATOM 0 HD22 LEU A 35 61.449 -5.405 5.148 1.00 0.00 H new ATOM 0 HD23 LEU A 35 62.682 -6.684 5.051 1.00 0.00 H new ATOM 582 N ILE A 36 60.620 -10.695 4.097 1.00 0.00 N ATOM 583 CA ILE A 36 61.322 -11.694 3.241 1.00 0.00 C ATOM 584 C ILE A 36 60.304 -12.542 2.475 1.00 0.00 C ATOM 585 O ILE A 36 60.434 -12.761 1.287 1.00 0.00 O ATOM 586 CB ILE A 36 62.172 -12.591 4.142 1.00 0.00 C ATOM 587 CG1 ILE A 36 63.303 -11.756 4.747 1.00 0.00 C ATOM 588 CG2 ILE A 36 62.768 -13.743 3.327 1.00 0.00 C ATOM 589 CD1 ILE A 36 64.009 -12.557 5.842 1.00 0.00 C ATOM 0 H ILE A 36 60.809 -10.774 5.096 1.00 0.00 H new ATOM 0 HA ILE A 36 61.955 -11.180 2.518 1.00 0.00 H new ATOM 0 HB ILE A 36 61.548 -13.006 4.934 1.00 0.00 H new ATOM 0 HG12 ILE A 36 64.016 -11.476 3.971 1.00 0.00 H new ATOM 0 HG13 ILE A 36 62.903 -10.831 5.161 1.00 0.00 H new ATOM 0 HG21 ILE A 36 63.371 -14.375 3.978 1.00 0.00 H new ATOM 0 HG22 ILE A 36 61.963 -14.335 2.891 1.00 0.00 H new ATOM 0 HG23 ILE A 36 63.394 -13.340 2.531 1.00 0.00 H new ATOM 0 HD11 ILE A 36 64.813 -11.958 6.270 1.00 0.00 H new ATOM 0 HD12 ILE A 36 63.294 -12.814 6.623 1.00 0.00 H new ATOM 0 HD13 ILE A 36 64.424 -13.470 5.415 1.00 0.00 H new ATOM 601 N ASN A 37 59.304 -13.030 3.147 1.00 0.00 N ATOM 602 CA ASN A 37 58.288 -13.876 2.462 1.00 0.00 C ATOM 603 C ASN A 37 57.354 -13.016 1.604 1.00 0.00 C ATOM 604 O ASN A 37 56.733 -13.500 0.678 1.00 0.00 O ATOM 605 CB ASN A 37 57.460 -14.608 3.514 1.00 0.00 C ATOM 606 CG ASN A 37 58.330 -15.656 4.211 1.00 0.00 C ATOM 607 OD1 ASN A 37 58.367 -15.722 5.423 1.00 0.00 O ATOM 608 ND2 ASN A 37 59.038 -16.482 3.491 1.00 0.00 N ATOM 0 H ASN A 37 59.144 -12.881 4.143 1.00 0.00 H new ATOM 0 HA ASN A 37 58.803 -14.588 1.816 1.00 0.00 H new ATOM 0 HB2 ASN A 37 57.072 -13.898 4.245 1.00 0.00 H new ATOM 0 HB3 ASN A 37 56.600 -15.087 3.046 1.00 0.00 H new ATOM 0 HD21 ASN A 37 59.623 -17.183 3.946 1.00 0.00 H new ATOM 0 HD22 ASN A 37 59.007 -16.427 2.473 1.00 0.00 H new ATOM 615 N ASN A 38 57.222 -11.752 1.912 1.00 0.00 N ATOM 616 CA ASN A 38 56.298 -10.875 1.125 1.00 0.00 C ATOM 617 C ASN A 38 57.025 -10.189 -0.040 1.00 0.00 C ATOM 618 O ASN A 38 56.422 -9.443 -0.785 1.00 0.00 O ATOM 619 CB ASN A 38 55.723 -9.801 2.053 1.00 0.00 C ATOM 620 CG ASN A 38 54.580 -9.071 1.346 1.00 0.00 C ATOM 621 OD1 ASN A 38 54.173 -9.454 0.267 1.00 0.00 O ATOM 622 ND2 ASN A 38 54.037 -8.028 1.914 1.00 0.00 N ATOM 0 H ASN A 38 57.714 -11.287 2.675 1.00 0.00 H new ATOM 0 HA ASN A 38 55.505 -11.499 0.712 1.00 0.00 H new ATOM 0 HB2 ASN A 38 55.362 -10.258 2.974 1.00 0.00 H new ATOM 0 HB3 ASN A 38 56.503 -9.092 2.333 1.00 0.00 H new ATOM 0 HD21 ASN A 38 53.272 -7.536 1.452 1.00 0.00 H new ATOM 0 HD22 ASN A 38 54.378 -7.705 2.820 1.00 0.00 H new ATOM 629 N GLU A 39 58.304 -10.416 -0.215 1.00 0.00 N ATOM 630 CA GLU A 39 59.022 -9.743 -1.352 1.00 0.00 C ATOM 631 C GLU A 39 60.136 -10.635 -1.908 1.00 0.00 C ATOM 632 O GLU A 39 60.342 -10.705 -3.103 1.00 0.00 O ATOM 633 CB GLU A 39 59.645 -8.425 -0.871 1.00 0.00 C ATOM 634 CG GLU A 39 58.547 -7.397 -0.584 1.00 0.00 C ATOM 635 CD GLU A 39 59.187 -6.092 -0.106 1.00 0.00 C ATOM 636 OE1 GLU A 39 60.380 -6.100 0.154 1.00 0.00 O ATOM 637 OE2 GLU A 39 58.476 -5.106 -0.010 1.00 0.00 O ATOM 0 H GLU A 39 58.877 -11.027 0.367 1.00 0.00 H new ATOM 0 HA GLU A 39 58.292 -9.552 -2.139 1.00 0.00 H new ATOM 0 HB2 GLU A 39 60.234 -8.600 0.029 1.00 0.00 H new ATOM 0 HB3 GLU A 39 60.327 -8.038 -1.628 1.00 0.00 H new ATOM 0 HG2 GLU A 39 57.957 -7.218 -1.483 1.00 0.00 H new ATOM 0 HG3 GLU A 39 57.864 -7.780 0.175 1.00 0.00 H new ATOM 644 N LEU A 40 60.879 -11.288 -1.059 1.00 0.00 N ATOM 645 CA LEU A 40 62.004 -12.142 -1.550 1.00 0.00 C ATOM 646 C LEU A 40 61.524 -13.575 -1.809 1.00 0.00 C ATOM 647 O LEU A 40 62.290 -14.427 -2.211 1.00 0.00 O ATOM 648 CB LEU A 40 63.120 -12.142 -0.498 1.00 0.00 C ATOM 649 CG LEU A 40 63.930 -10.841 -0.596 1.00 0.00 C ATOM 650 CD1 LEU A 40 63.047 -9.647 -0.212 1.00 0.00 C ATOM 651 CD2 LEU A 40 65.126 -10.916 0.355 1.00 0.00 C ATOM 0 H LEU A 40 60.759 -11.269 -0.046 1.00 0.00 H new ATOM 0 HA LEU A 40 62.380 -11.738 -2.490 1.00 0.00 H new ATOM 0 HB2 LEU A 40 62.692 -12.240 0.499 1.00 0.00 H new ATOM 0 HB3 LEU A 40 63.774 -13.000 -0.649 1.00 0.00 H new ATOM 0 HG LEU A 40 64.282 -10.712 -1.620 1.00 0.00 H new ATOM 0 HD11 LEU A 40 63.628 -8.727 -0.284 1.00 0.00 H new ATOM 0 HD12 LEU A 40 62.195 -9.592 -0.889 1.00 0.00 H new ATOM 0 HD13 LEU A 40 62.690 -9.772 0.810 1.00 0.00 H new ATOM 0 HD21 LEU A 40 65.703 -9.994 0.288 1.00 0.00 H new ATOM 0 HD22 LEU A 40 64.771 -11.048 1.377 1.00 0.00 H new ATOM 0 HD23 LEU A 40 65.758 -11.760 0.079 1.00 0.00 H new ATOM 663 N SER A 41 60.267 -13.851 -1.598 1.00 0.00 N ATOM 664 CA SER A 41 59.765 -15.232 -1.853 1.00 0.00 C ATOM 665 C SER A 41 59.994 -15.577 -3.325 1.00 0.00 C ATOM 666 O SER A 41 60.341 -16.689 -3.669 1.00 0.00 O ATOM 667 CB SER A 41 58.268 -15.308 -1.540 1.00 0.00 C ATOM 668 OG SER A 41 57.816 -16.642 -1.740 1.00 0.00 O ATOM 0 H SER A 41 59.570 -13.186 -1.263 1.00 0.00 H new ATOM 0 HA SER A 41 60.298 -15.938 -1.216 1.00 0.00 H new ATOM 0 HB2 SER A 41 58.083 -14.999 -0.511 1.00 0.00 H new ATOM 0 HB3 SER A 41 57.715 -14.623 -2.183 1.00 0.00 H new ATOM 0 HG SER A 41 56.858 -16.696 -1.539 1.00 0.00 H new ATOM 674 N HIS A 42 59.783 -14.631 -4.197 1.00 0.00 N ATOM 675 CA HIS A 42 59.967 -14.895 -5.652 1.00 0.00 C ATOM 676 C HIS A 42 61.448 -15.137 -5.966 1.00 0.00 C ATOM 677 O HIS A 42 61.781 -15.744 -6.964 1.00 0.00 O ATOM 678 CB HIS A 42 59.470 -13.689 -6.447 1.00 0.00 C ATOM 679 CG HIS A 42 57.979 -13.578 -6.300 1.00 0.00 C ATOM 680 ND1 HIS A 42 57.391 -12.820 -5.297 1.00 0.00 N ATOM 681 CD2 HIS A 42 56.942 -14.128 -7.012 1.00 0.00 C ATOM 682 CE1 HIS A 42 56.058 -12.936 -5.429 1.00 0.00 C ATOM 683 NE2 HIS A 42 55.733 -13.720 -6.458 1.00 0.00 N ATOM 0 H HIS A 42 59.490 -13.682 -3.964 1.00 0.00 H new ATOM 0 HA HIS A 42 59.399 -15.783 -5.928 1.00 0.00 H new ATOM 0 HB2 HIS A 42 59.951 -12.779 -6.088 1.00 0.00 H new ATOM 0 HB3 HIS A 42 59.736 -13.797 -7.498 1.00 0.00 H new ATOM 0 HD2 HIS A 42 57.048 -14.777 -7.869 1.00 0.00 H new ATOM 0 HE1 HIS A 42 55.340 -12.454 -4.782 1.00 0.00 H new ATOM 0 HE2 HIS A 42 54.795 -13.968 -6.773 1.00 0.00 H new ATOM 692 N PHE A 43 62.342 -14.677 -5.123 1.00 0.00 N ATOM 693 CA PHE A 43 63.806 -14.892 -5.373 1.00 0.00 C ATOM 694 C PHE A 43 64.311 -16.011 -4.460 1.00 0.00 C ATOM 695 O PHE A 43 65.352 -16.593 -4.696 1.00 0.00 O ATOM 696 CB PHE A 43 64.575 -13.597 -5.067 1.00 0.00 C ATOM 697 CG PHE A 43 64.458 -12.648 -6.240 1.00 0.00 C ATOM 698 CD1 PHE A 43 63.217 -12.087 -6.563 1.00 0.00 C ATOM 699 CD2 PHE A 43 65.588 -12.339 -7.012 1.00 0.00 C ATOM 700 CE1 PHE A 43 63.104 -11.218 -7.654 1.00 0.00 C ATOM 701 CE2 PHE A 43 65.473 -11.472 -8.105 1.00 0.00 C ATOM 702 CZ PHE A 43 64.232 -10.911 -8.425 1.00 0.00 C ATOM 0 H PHE A 43 62.122 -14.161 -4.271 1.00 0.00 H new ATOM 0 HA PHE A 43 63.963 -15.168 -6.416 1.00 0.00 H new ATOM 0 HB2 PHE A 43 64.176 -13.129 -4.167 1.00 0.00 H new ATOM 0 HB3 PHE A 43 65.623 -13.822 -4.872 1.00 0.00 H new ATOM 0 HD1 PHE A 43 62.346 -12.325 -5.970 1.00 0.00 H new ATOM 0 HD2 PHE A 43 66.546 -12.770 -6.763 1.00 0.00 H new ATOM 0 HE1 PHE A 43 62.147 -10.784 -7.901 1.00 0.00 H new ATOM 0 HE2 PHE A 43 66.342 -11.236 -8.701 1.00 0.00 H new ATOM 0 HZ PHE A 43 64.144 -10.241 -9.267 1.00 0.00 H new ATOM 712 N LEU A 44 63.579 -16.319 -3.422 1.00 0.00 N ATOM 713 CA LEU A 44 64.006 -17.405 -2.487 1.00 0.00 C ATOM 714 C LEU A 44 62.795 -18.244 -2.088 1.00 0.00 C ATOM 715 O LEU A 44 61.748 -17.723 -1.759 1.00 0.00 O ATOM 716 CB LEU A 44 64.615 -16.785 -1.227 1.00 0.00 C ATOM 717 CG LEU A 44 65.953 -16.105 -1.558 1.00 0.00 C ATOM 718 CD1 LEU A 44 66.453 -15.353 -0.319 1.00 0.00 C ATOM 719 CD2 LEU A 44 66.999 -17.156 -1.986 1.00 0.00 C ATOM 0 H LEU A 44 62.699 -15.864 -3.179 1.00 0.00 H new ATOM 0 HA LEU A 44 64.744 -18.035 -2.984 1.00 0.00 H new ATOM 0 HB2 LEU A 44 63.925 -16.056 -0.802 1.00 0.00 H new ATOM 0 HB3 LEU A 44 64.769 -17.556 -0.472 1.00 0.00 H new ATOM 0 HG LEU A 44 65.806 -15.406 -2.382 1.00 0.00 H new ATOM 0 HD11 LEU A 44 67.402 -14.868 -0.546 1.00 0.00 H new ATOM 0 HD12 LEU A 44 65.720 -14.599 -0.030 1.00 0.00 H new ATOM 0 HD13 LEU A 44 66.592 -16.056 0.502 1.00 0.00 H new ATOM 0 HD21 LEU A 44 67.941 -16.659 -2.217 1.00 0.00 H new ATOM 0 HD22 LEU A 44 67.154 -17.867 -1.174 1.00 0.00 H new ATOM 0 HD23 LEU A 44 66.642 -17.686 -2.869 1.00 0.00 H new ATOM 731 N GLU A 45 62.940 -19.545 -2.100 1.00 0.00 N ATOM 732 CA GLU A 45 61.820 -20.449 -1.708 1.00 0.00 C ATOM 733 C GLU A 45 62.334 -21.431 -0.652 1.00 0.00 C ATOM 734 O GLU A 45 62.759 -22.526 -0.965 1.00 0.00 O ATOM 735 CB GLU A 45 61.344 -21.227 -2.944 1.00 0.00 C ATOM 736 CG GLU A 45 60.149 -22.116 -2.579 1.00 0.00 C ATOM 737 CD GLU A 45 58.965 -21.241 -2.166 1.00 0.00 C ATOM 738 OE1 GLU A 45 58.912 -20.105 -2.607 1.00 0.00 O ATOM 739 OE2 GLU A 45 58.133 -21.719 -1.412 1.00 0.00 O ATOM 0 H GLU A 45 63.799 -20.024 -2.369 1.00 0.00 H new ATOM 0 HA GLU A 45 60.990 -19.870 -1.304 1.00 0.00 H new ATOM 0 HB2 GLU A 45 61.062 -20.532 -3.735 1.00 0.00 H new ATOM 0 HB3 GLU A 45 62.157 -21.839 -3.333 1.00 0.00 H new ATOM 0 HG2 GLU A 45 59.874 -22.740 -3.430 1.00 0.00 H new ATOM 0 HG3 GLU A 45 60.419 -22.788 -1.765 1.00 0.00 H new ATOM 746 N GLU A 46 62.294 -21.051 0.597 1.00 0.00 N ATOM 747 CA GLU A 46 62.776 -21.965 1.671 1.00 0.00 C ATOM 748 C GLU A 46 62.430 -21.368 3.039 1.00 0.00 C ATOM 749 O GLU A 46 61.306 -20.974 3.281 1.00 0.00 O ATOM 750 CB GLU A 46 64.296 -22.153 1.555 1.00 0.00 C ATOM 751 CG GLU A 46 64.717 -23.428 2.299 1.00 0.00 C ATOM 752 CD GLU A 46 66.230 -23.615 2.183 1.00 0.00 C ATOM 753 OE1 GLU A 46 66.831 -22.942 1.362 1.00 0.00 O ATOM 754 OE2 GLU A 46 66.762 -24.435 2.914 1.00 0.00 O ATOM 0 H GLU A 46 61.948 -20.147 0.919 1.00 0.00 H new ATOM 0 HA GLU A 46 62.291 -22.935 1.564 1.00 0.00 H new ATOM 0 HB2 GLU A 46 64.585 -22.220 0.506 1.00 0.00 H new ATOM 0 HB3 GLU A 46 64.812 -21.289 1.973 1.00 0.00 H new ATOM 0 HG2 GLU A 46 64.428 -23.361 3.348 1.00 0.00 H new ATOM 0 HG3 GLU A 46 64.201 -24.292 1.881 1.00 0.00 H new ATOM 761 N ILE A 47 63.390 -21.302 3.934 1.00 0.00 N ATOM 762 CA ILE A 47 63.140 -20.742 5.300 1.00 0.00 C ATOM 763 C ILE A 47 61.770 -21.214 5.797 1.00 0.00 C ATOM 764 O ILE A 47 60.886 -20.423 6.060 1.00 0.00 O ATOM 765 CB ILE A 47 63.165 -19.211 5.235 1.00 0.00 C ATOM 766 CG1 ILE A 47 64.432 -18.751 4.504 1.00 0.00 C ATOM 767 CG2 ILE A 47 63.166 -18.634 6.659 1.00 0.00 C ATOM 768 CD1 ILE A 47 64.408 -17.229 4.351 1.00 0.00 C ATOM 0 H ILE A 47 64.347 -21.617 3.772 1.00 0.00 H new ATOM 0 HA ILE A 47 63.914 -21.087 5.986 1.00 0.00 H new ATOM 0 HB ILE A 47 62.283 -18.859 4.699 1.00 0.00 H new ATOM 0 HG12 ILE A 47 65.318 -19.057 5.061 1.00 0.00 H new ATOM 0 HG13 ILE A 47 64.492 -19.225 3.524 1.00 0.00 H new ATOM 0 HG21 ILE A 47 63.184 -17.545 6.610 1.00 0.00 H new ATOM 0 HG22 ILE A 47 62.268 -18.959 7.184 1.00 0.00 H new ATOM 0 HG23 ILE A 47 64.047 -18.988 7.194 1.00 0.00 H new ATOM 0 HD11 ILE A 47 65.308 -16.901 3.831 1.00 0.00 H new ATOM 0 HD12 ILE A 47 63.530 -16.935 3.776 1.00 0.00 H new ATOM 0 HD13 ILE A 47 64.369 -16.765 5.336 1.00 0.00 H new ATOM 780 N LYS A 48 61.583 -22.503 5.904 1.00 0.00 N ATOM 781 CA LYS A 48 60.266 -23.040 6.359 1.00 0.00 C ATOM 782 C LYS A 48 60.285 -23.275 7.871 1.00 0.00 C ATOM 783 O LYS A 48 59.277 -23.615 8.460 1.00 0.00 O ATOM 784 CB LYS A 48 59.989 -24.363 5.638 1.00 0.00 C ATOM 785 CG LYS A 48 59.735 -24.085 4.153 1.00 0.00 C ATOM 786 CD LYS A 48 59.389 -25.392 3.427 1.00 0.00 C ATOM 787 CE LYS A 48 60.614 -26.312 3.365 1.00 0.00 C ATOM 788 NZ LYS A 48 60.439 -27.283 2.247 1.00 0.00 N ATOM 0 H LYS A 48 62.288 -23.210 5.695 1.00 0.00 H new ATOM 0 HA LYS A 48 59.483 -22.318 6.126 1.00 0.00 H new ATOM 0 HB2 LYS A 48 60.837 -25.038 5.754 1.00 0.00 H new ATOM 0 HB3 LYS A 48 59.124 -24.858 6.081 1.00 0.00 H new ATOM 0 HG2 LYS A 48 58.919 -23.371 4.042 1.00 0.00 H new ATOM 0 HG3 LYS A 48 60.618 -23.632 3.703 1.00 0.00 H new ATOM 0 HD2 LYS A 48 58.573 -25.897 3.944 1.00 0.00 H new ATOM 0 HD3 LYS A 48 59.040 -25.173 2.418 1.00 0.00 H new ATOM 0 HE2 LYS A 48 61.519 -25.724 3.214 1.00 0.00 H new ATOM 0 HE3 LYS A 48 60.733 -26.843 4.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 61.267 -27.910 2.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 59.583 -27.851 2.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 60.344 -26.766 1.350 1.00 0.00 H new ATOM 802 N GLU A 49 61.422 -23.101 8.506 1.00 0.00 N ATOM 803 CA GLU A 49 61.514 -23.321 9.989 1.00 0.00 C ATOM 804 C GLU A 49 61.954 -22.026 10.687 1.00 0.00 C ATOM 805 O GLU A 49 62.846 -21.336 10.239 1.00 0.00 O ATOM 806 CB GLU A 49 62.530 -24.427 10.266 1.00 0.00 C ATOM 807 CG GLU A 49 62.036 -25.736 9.649 1.00 0.00 C ATOM 808 CD GLU A 49 60.826 -26.245 10.434 1.00 0.00 C ATOM 809 OE1 GLU A 49 60.729 -25.927 11.608 1.00 0.00 O ATOM 810 OE2 GLU A 49 60.014 -26.941 9.847 1.00 0.00 O ATOM 0 H GLU A 49 62.294 -22.815 8.060 1.00 0.00 H new ATOM 0 HA GLU A 49 60.537 -23.612 10.374 1.00 0.00 H new ATOM 0 HB2 GLU A 49 63.500 -24.158 9.848 1.00 0.00 H new ATOM 0 HB3 GLU A 49 62.669 -24.548 11.340 1.00 0.00 H new ATOM 0 HG2 GLU A 49 61.766 -25.579 8.605 1.00 0.00 H new ATOM 0 HG3 GLU A 49 62.832 -26.481 9.664 1.00 0.00 H new ATOM 817 N GLN A 50 61.324 -21.699 11.783 1.00 0.00 N ATOM 818 CA GLN A 50 61.678 -20.454 12.533 1.00 0.00 C ATOM 819 C GLN A 50 63.144 -20.501 12.996 1.00 0.00 C ATOM 820 O GLN A 50 63.841 -19.507 12.973 1.00 0.00 O ATOM 821 CB GLN A 50 60.749 -20.317 13.745 1.00 0.00 C ATOM 822 CG GLN A 50 61.070 -19.031 14.512 1.00 0.00 C ATOM 823 CD GLN A 50 60.103 -18.887 15.691 1.00 0.00 C ATOM 824 OE1 GLN A 50 59.819 -19.846 16.378 1.00 0.00 O ATOM 825 NE2 GLN A 50 59.580 -17.719 15.953 1.00 0.00 N ATOM 0 H GLN A 50 60.570 -22.247 12.197 1.00 0.00 H new ATOM 0 HA GLN A 50 61.555 -19.593 11.876 1.00 0.00 H new ATOM 0 HB2 GLN A 50 59.710 -20.304 13.417 1.00 0.00 H new ATOM 0 HB3 GLN A 50 60.865 -21.180 14.401 1.00 0.00 H new ATOM 0 HG2 GLN A 50 62.099 -19.056 14.872 1.00 0.00 H new ATOM 0 HG3 GLN A 50 60.985 -18.169 13.850 1.00 0.00 H new ATOM 0 HE21 GLN A 50 59.818 -16.912 15.376 1.00 0.00 H new ATOM 0 HE22 GLN A 50 58.933 -17.614 16.735 1.00 0.00 H new ATOM 834 N GLU A 51 63.603 -21.638 13.440 1.00 0.00 N ATOM 835 CA GLU A 51 65.013 -21.736 13.935 1.00 0.00 C ATOM 836 C GLU A 51 65.976 -21.217 12.863 1.00 0.00 C ATOM 837 O GLU A 51 67.023 -20.678 13.165 1.00 0.00 O ATOM 838 CB GLU A 51 65.341 -23.197 14.271 1.00 0.00 C ATOM 839 CG GLU A 51 65.452 -24.026 12.988 1.00 0.00 C ATOM 840 CD GLU A 51 65.528 -25.512 13.346 1.00 0.00 C ATOM 841 OE1 GLU A 51 65.754 -25.810 14.507 1.00 0.00 O ATOM 842 OE2 GLU A 51 65.358 -26.325 12.452 1.00 0.00 O ATOM 0 H GLU A 51 63.067 -22.505 13.483 1.00 0.00 H new ATOM 0 HA GLU A 51 65.123 -21.129 14.834 1.00 0.00 H new ATOM 0 HB2 GLU A 51 66.277 -23.248 14.827 1.00 0.00 H new ATOM 0 HB3 GLU A 51 64.565 -23.612 14.914 1.00 0.00 H new ATOM 0 HG2 GLU A 51 64.591 -23.839 12.346 1.00 0.00 H new ATOM 0 HG3 GLU A 51 66.338 -23.730 12.427 1.00 0.00 H new ATOM 849 N VAL A 52 65.618 -21.344 11.620 1.00 0.00 N ATOM 850 CA VAL A 52 66.492 -20.829 10.529 1.00 0.00 C ATOM 851 C VAL A 52 66.508 -19.300 10.586 1.00 0.00 C ATOM 852 O VAL A 52 67.517 -18.664 10.351 1.00 0.00 O ATOM 853 CB VAL A 52 65.945 -21.290 9.171 1.00 0.00 C ATOM 854 CG1 VAL A 52 66.677 -20.570 8.034 1.00 0.00 C ATOM 855 CG2 VAL A 52 66.161 -22.796 9.021 1.00 0.00 C ATOM 0 H VAL A 52 64.753 -21.785 11.308 1.00 0.00 H new ATOM 0 HA VAL A 52 67.505 -21.213 10.654 1.00 0.00 H new ATOM 0 HB VAL A 52 64.882 -21.056 9.123 1.00 0.00 H new ATOM 0 HG11 VAL A 52 66.280 -20.905 7.076 1.00 0.00 H new ATOM 0 HG12 VAL A 52 66.531 -19.494 8.131 1.00 0.00 H new ATOM 0 HG13 VAL A 52 67.742 -20.797 8.085 1.00 0.00 H new ATOM 0 HG21 VAL A 52 65.773 -23.125 8.057 1.00 0.00 H new ATOM 0 HG22 VAL A 52 67.227 -23.018 9.078 1.00 0.00 H new ATOM 0 HG23 VAL A 52 65.638 -23.320 9.821 1.00 0.00 H new ATOM 865 N VAL A 53 65.389 -18.710 10.898 1.00 0.00 N ATOM 866 CA VAL A 53 65.326 -17.224 10.974 1.00 0.00 C ATOM 867 C VAL A 53 66.114 -16.734 12.197 1.00 0.00 C ATOM 868 O VAL A 53 66.812 -15.743 12.141 1.00 0.00 O ATOM 869 CB VAL A 53 63.865 -16.777 11.078 1.00 0.00 C ATOM 870 CG1 VAL A 53 63.805 -15.258 11.241 1.00 0.00 C ATOM 871 CG2 VAL A 53 63.119 -17.175 9.801 1.00 0.00 C ATOM 0 H VAL A 53 64.514 -19.193 11.104 1.00 0.00 H new ATOM 0 HA VAL A 53 65.767 -16.796 10.074 1.00 0.00 H new ATOM 0 HB VAL A 53 63.401 -17.256 11.940 1.00 0.00 H new ATOM 0 HG11 VAL A 53 62.765 -14.941 11.315 1.00 0.00 H new ATOM 0 HG12 VAL A 53 64.338 -14.968 12.146 1.00 0.00 H new ATOM 0 HG13 VAL A 53 64.269 -14.781 10.378 1.00 0.00 H new ATOM 0 HG21 VAL A 53 62.079 -16.858 9.873 1.00 0.00 H new ATOM 0 HG22 VAL A 53 63.586 -16.694 8.942 1.00 0.00 H new ATOM 0 HG23 VAL A 53 63.160 -18.257 9.678 1.00 0.00 H new ATOM 881 N ASP A 54 65.991 -17.415 13.308 1.00 0.00 N ATOM 882 CA ASP A 54 66.718 -16.979 14.539 1.00 0.00 C ATOM 883 C ASP A 54 68.229 -16.974 14.292 1.00 0.00 C ATOM 884 O ASP A 54 68.926 -16.056 14.676 1.00 0.00 O ATOM 885 CB ASP A 54 66.398 -17.935 15.692 1.00 0.00 C ATOM 886 CG ASP A 54 67.110 -17.466 16.966 1.00 0.00 C ATOM 887 OD1 ASP A 54 67.983 -16.620 16.859 1.00 0.00 O ATOM 888 OD2 ASP A 54 66.765 -17.957 18.029 1.00 0.00 O ATOM 0 H ASP A 54 65.419 -18.253 13.416 1.00 0.00 H new ATOM 0 HA ASP A 54 66.396 -15.970 14.796 1.00 0.00 H new ATOM 0 HB2 ASP A 54 65.321 -17.972 15.858 1.00 0.00 H new ATOM 0 HB3 ASP A 54 66.716 -18.946 15.438 1.00 0.00 H new ATOM 893 N LYS A 55 68.741 -17.987 13.653 1.00 0.00 N ATOM 894 CA LYS A 55 70.207 -18.027 13.385 1.00 0.00 C ATOM 895 C LYS A 55 70.586 -16.829 12.518 1.00 0.00 C ATOM 896 O LYS A 55 71.606 -16.198 12.709 1.00 0.00 O ATOM 897 CB LYS A 55 70.552 -19.324 12.649 1.00 0.00 C ATOM 898 CG LYS A 55 72.072 -19.493 12.584 1.00 0.00 C ATOM 899 CD LYS A 55 72.414 -20.860 11.972 1.00 0.00 C ATOM 900 CE LYS A 55 71.941 -22.000 12.897 1.00 0.00 C ATOM 901 NZ LYS A 55 70.568 -22.423 12.499 1.00 0.00 N ATOM 0 H LYS A 55 68.212 -18.787 13.305 1.00 0.00 H new ATOM 0 HA LYS A 55 70.758 -17.988 14.325 1.00 0.00 H new ATOM 0 HB2 LYS A 55 70.104 -20.175 13.162 1.00 0.00 H new ATOM 0 HB3 LYS A 55 70.135 -19.304 11.642 1.00 0.00 H new ATOM 0 HG2 LYS A 55 72.511 -18.695 11.985 1.00 0.00 H new ATOM 0 HG3 LYS A 55 72.500 -19.414 13.583 1.00 0.00 H new ATOM 0 HD2 LYS A 55 71.940 -20.956 10.995 1.00 0.00 H new ATOM 0 HD3 LYS A 55 73.490 -20.935 11.813 1.00 0.00 H new ATOM 0 HE2 LYS A 55 72.627 -22.845 12.832 1.00 0.00 H new ATOM 0 HE3 LYS A 55 71.944 -21.666 13.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 69.931 -22.350 13.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 70.223 -21.807 11.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 70.591 -23.408 12.165 1.00 0.00 H new ATOM 915 N VAL A 56 69.763 -16.524 11.558 1.00 0.00 N ATOM 916 CA VAL A 56 70.051 -15.379 10.654 1.00 0.00 C ATOM 917 C VAL A 56 69.977 -14.064 11.439 1.00 0.00 C ATOM 918 O VAL A 56 70.785 -13.176 11.254 1.00 0.00 O ATOM 919 CB VAL A 56 69.026 -15.383 9.516 1.00 0.00 C ATOM 920 CG1 VAL A 56 69.139 -14.100 8.687 1.00 0.00 C ATOM 921 CG2 VAL A 56 69.286 -16.594 8.617 1.00 0.00 C ATOM 0 H VAL A 56 68.896 -17.023 11.359 1.00 0.00 H new ATOM 0 HA VAL A 56 71.055 -15.473 10.239 1.00 0.00 H new ATOM 0 HB VAL A 56 68.023 -15.437 9.940 1.00 0.00 H new ATOM 0 HG11 VAL A 56 68.403 -14.120 7.883 1.00 0.00 H new ATOM 0 HG12 VAL A 56 68.955 -13.236 9.326 1.00 0.00 H new ATOM 0 HG13 VAL A 56 70.140 -14.029 8.261 1.00 0.00 H new ATOM 0 HG21 VAL A 56 68.561 -16.606 7.803 1.00 0.00 H new ATOM 0 HG22 VAL A 56 70.293 -16.531 8.205 1.00 0.00 H new ATOM 0 HG23 VAL A 56 69.190 -17.509 9.202 1.00 0.00 H new ATOM 931 N MET A 57 69.018 -13.926 12.312 1.00 0.00 N ATOM 932 CA MET A 57 68.905 -12.661 13.100 1.00 0.00 C ATOM 933 C MET A 57 70.168 -12.420 13.930 1.00 0.00 C ATOM 934 O MET A 57 70.726 -11.341 13.927 1.00 0.00 O ATOM 935 CB MET A 57 67.697 -12.732 14.038 1.00 0.00 C ATOM 936 CG MET A 57 67.628 -11.442 14.862 1.00 0.00 C ATOM 937 SD MET A 57 66.025 -11.324 15.696 1.00 0.00 S ATOM 938 CE MET A 57 65.147 -10.433 14.387 1.00 0.00 C ATOM 0 H MET A 57 68.309 -14.630 12.515 1.00 0.00 H new ATOM 0 HA MET A 57 68.780 -11.838 12.397 1.00 0.00 H new ATOM 0 HB2 MET A 57 66.780 -12.860 13.462 1.00 0.00 H new ATOM 0 HB3 MET A 57 67.783 -13.596 14.697 1.00 0.00 H new ATOM 0 HG2 MET A 57 68.432 -11.428 15.598 1.00 0.00 H new ATOM 0 HG3 MET A 57 67.774 -10.578 14.213 1.00 0.00 H new ATOM 0 HE1 MET A 57 64.196 -10.066 14.772 1.00 0.00 H new ATOM 0 HE2 MET A 57 65.752 -9.591 14.051 1.00 0.00 H new ATOM 0 HE3 MET A 57 64.964 -11.105 13.549 1.00 0.00 H new ATOM 948 N GLU A 58 70.610 -13.405 14.657 1.00 0.00 N ATOM 949 CA GLU A 58 71.824 -13.219 15.506 1.00 0.00 C ATOM 950 C GLU A 58 73.027 -12.850 14.637 1.00 0.00 C ATOM 951 O GLU A 58 73.809 -11.986 14.980 1.00 0.00 O ATOM 952 CB GLU A 58 72.116 -14.516 16.262 1.00 0.00 C ATOM 953 CG GLU A 58 71.049 -14.731 17.337 1.00 0.00 C ATOM 954 CD GLU A 58 71.335 -16.031 18.089 1.00 0.00 C ATOM 955 OE1 GLU A 58 70.932 -17.075 17.604 1.00 0.00 O ATOM 956 OE2 GLU A 58 71.953 -15.961 19.138 1.00 0.00 O ATOM 0 H GLU A 58 70.186 -14.332 14.702 1.00 0.00 H new ATOM 0 HA GLU A 58 71.642 -12.412 16.215 1.00 0.00 H new ATOM 0 HB2 GLU A 58 72.126 -15.358 15.570 1.00 0.00 H new ATOM 0 HB3 GLU A 58 73.104 -14.468 16.720 1.00 0.00 H new ATOM 0 HG2 GLU A 58 71.043 -13.891 18.031 1.00 0.00 H new ATOM 0 HG3 GLU A 58 70.061 -14.773 16.880 1.00 0.00 H new ATOM 963 N THR A 59 73.177 -13.491 13.518 1.00 0.00 N ATOM 964 CA THR A 59 74.327 -13.174 12.624 1.00 0.00 C ATOM 965 C THR A 59 74.134 -11.792 11.996 1.00 0.00 C ATOM 966 O THR A 59 75.067 -11.027 11.850 1.00 0.00 O ATOM 967 CB THR A 59 74.418 -14.233 11.521 1.00 0.00 C ATOM 968 OG1 THR A 59 74.610 -15.512 12.112 1.00 0.00 O ATOM 969 CG2 THR A 59 75.586 -13.916 10.585 1.00 0.00 C ATOM 0 H THR A 59 72.553 -14.224 13.179 1.00 0.00 H new ATOM 0 HA THR A 59 75.248 -13.173 13.207 1.00 0.00 H new ATOM 0 HB THR A 59 73.493 -14.232 10.944 1.00 0.00 H new ATOM 0 HG1 THR A 59 73.742 -15.887 12.370 1.00 0.00 H new ATOM 0 HG21 THR A 59 75.643 -14.674 9.804 1.00 0.00 H new ATOM 0 HG22 THR A 59 75.432 -12.937 10.130 1.00 0.00 H new ATOM 0 HG23 THR A 59 76.516 -13.910 11.153 1.00 0.00 H new ATOM 977 N LEU A 60 72.930 -11.477 11.615 1.00 0.00 N ATOM 978 CA LEU A 60 72.663 -10.155 10.981 1.00 0.00 C ATOM 979 C LEU A 60 72.760 -9.027 12.021 1.00 0.00 C ATOM 980 O LEU A 60 73.261 -7.957 11.735 1.00 0.00 O ATOM 981 CB LEU A 60 71.253 -10.170 10.348 1.00 0.00 C ATOM 982 CG LEU A 60 71.283 -10.661 8.880 1.00 0.00 C ATOM 983 CD1 LEU A 60 71.692 -9.512 7.950 1.00 0.00 C ATOM 984 CD2 LEU A 60 72.254 -11.846 8.701 1.00 0.00 C ATOM 0 H LEU A 60 72.114 -12.080 11.715 1.00 0.00 H new ATOM 0 HA LEU A 60 73.410 -9.973 10.209 1.00 0.00 H new ATOM 0 HB2 LEU A 60 70.599 -10.817 10.934 1.00 0.00 H new ATOM 0 HB3 LEU A 60 70.827 -9.167 10.387 1.00 0.00 H new ATOM 0 HG LEU A 60 70.280 -11.002 8.622 1.00 0.00 H new ATOM 0 HD11 LEU A 60 71.710 -9.867 6.920 1.00 0.00 H new ATOM 0 HD12 LEU A 60 70.974 -8.697 8.040 1.00 0.00 H new ATOM 0 HD13 LEU A 60 72.683 -9.154 8.228 1.00 0.00 H new ATOM 0 HD21 LEU A 60 72.250 -12.165 7.659 1.00 0.00 H new ATOM 0 HD22 LEU A 60 73.261 -11.537 8.982 1.00 0.00 H new ATOM 0 HD23 LEU A 60 71.938 -12.674 9.335 1.00 0.00 H new ATOM 996 N ASP A 61 72.269 -9.242 13.210 1.00 0.00 N ATOM 997 CA ASP A 61 72.317 -8.156 14.234 1.00 0.00 C ATOM 998 C ASP A 61 73.751 -7.932 14.710 1.00 0.00 C ATOM 999 O ASP A 61 74.277 -8.675 15.513 1.00 0.00 O ATOM 1000 CB ASP A 61 71.445 -8.537 15.433 1.00 0.00 C ATOM 1001 CG ASP A 61 69.969 -8.485 15.032 1.00 0.00 C ATOM 1002 OD1 ASP A 61 69.672 -7.868 14.022 1.00 0.00 O ATOM 1003 OD2 ASP A 61 69.163 -9.064 15.741 1.00 0.00 O ATOM 0 H ASP A 61 71.839 -10.115 13.517 1.00 0.00 H new ATOM 0 HA ASP A 61 71.944 -7.238 13.781 1.00 0.00 H new ATOM 0 HB2 ASP A 61 71.703 -9.538 15.780 1.00 0.00 H new ATOM 0 HB3 ASP A 61 71.631 -7.855 16.262 1.00 0.00 H new ATOM 1008 N GLU A 62 74.382 -6.900 14.224 1.00 0.00 N ATOM 1009 CA GLU A 62 75.776 -6.614 14.655 1.00 0.00 C ATOM 1010 C GLU A 62 75.795 -6.363 16.162 1.00 0.00 C ATOM 1011 O GLU A 62 76.693 -6.790 16.862 1.00 0.00 O ATOM 1012 CB GLU A 62 76.301 -5.373 13.921 1.00 0.00 C ATOM 1013 CG GLU A 62 77.756 -5.096 14.333 1.00 0.00 C ATOM 1014 CD GLU A 62 77.800 -4.392 15.696 1.00 0.00 C ATOM 1015 OE1 GLU A 62 76.828 -3.741 16.042 1.00 0.00 O ATOM 1016 OE2 GLU A 62 78.809 -4.517 16.370 1.00 0.00 O ATOM 0 H GLU A 62 73.992 -6.243 13.548 1.00 0.00 H new ATOM 0 HA GLU A 62 76.412 -7.466 14.417 1.00 0.00 H new ATOM 0 HB2 GLU A 62 76.242 -5.525 12.843 1.00 0.00 H new ATOM 0 HB3 GLU A 62 75.677 -4.510 14.155 1.00 0.00 H new ATOM 0 HG2 GLU A 62 78.312 -6.032 14.382 1.00 0.00 H new ATOM 0 HG3 GLU A 62 78.242 -4.476 13.580 1.00 0.00 H new ATOM 1023 N ASP A 63 74.820 -5.654 16.669 1.00 0.00 N ATOM 1024 CA ASP A 63 74.791 -5.353 18.131 1.00 0.00 C ATOM 1025 C ASP A 63 74.074 -6.472 18.895 1.00 0.00 C ATOM 1026 O ASP A 63 74.165 -6.559 20.104 1.00 0.00 O ATOM 1027 CB ASP A 63 74.061 -4.025 18.351 1.00 0.00 C ATOM 1028 CG ASP A 63 72.627 -4.130 17.831 1.00 0.00 C ATOM 1029 OD1 ASP A 63 72.324 -5.112 17.173 1.00 0.00 O ATOM 1030 OD2 ASP A 63 71.856 -3.222 18.095 1.00 0.00 O ATOM 0 H ASP A 63 74.042 -5.270 16.133 1.00 0.00 H new ATOM 0 HA ASP A 63 75.813 -5.282 18.504 1.00 0.00 H new ATOM 0 HB2 ASP A 63 74.055 -3.774 19.412 1.00 0.00 H new ATOM 0 HB3 ASP A 63 74.586 -3.221 17.836 1.00 0.00 H new ATOM 1035 N GLY A 64 73.369 -7.336 18.213 1.00 0.00 N ATOM 1036 CA GLY A 64 72.662 -8.444 18.922 1.00 0.00 C ATOM 1037 C GLY A 64 71.492 -7.885 19.740 1.00 0.00 C ATOM 1038 O GLY A 64 71.130 -8.423 20.766 1.00 0.00 O ATOM 0 H GLY A 64 73.252 -7.323 17.200 1.00 0.00 H new ATOM 0 HA2 GLY A 64 72.295 -9.173 18.199 1.00 0.00 H new ATOM 0 HA3 GLY A 64 73.357 -8.968 19.578 1.00 0.00 H new ATOM 1042 N ASP A 65 70.903 -6.807 19.299 1.00 0.00 N ATOM 1043 CA ASP A 65 69.764 -6.213 20.058 1.00 0.00 C ATOM 1044 C ASP A 65 68.506 -7.065 19.872 1.00 0.00 C ATOM 1045 O ASP A 65 67.476 -6.796 20.458 1.00 0.00 O ATOM 1046 CB ASP A 65 69.489 -4.804 19.534 1.00 0.00 C ATOM 1047 CG ASP A 65 69.108 -4.882 18.055 1.00 0.00 C ATOM 1048 OD1 ASP A 65 69.376 -5.906 17.449 1.00 0.00 O ATOM 1049 OD2 ASP A 65 68.549 -3.919 17.555 1.00 0.00 O ATOM 0 H ASP A 65 71.161 -6.311 18.446 1.00 0.00 H new ATOM 0 HA ASP A 65 70.023 -6.177 21.116 1.00 0.00 H new ATOM 0 HB2 ASP A 65 68.684 -4.342 20.105 1.00 0.00 H new ATOM 0 HB3 ASP A 65 70.371 -4.177 19.662 1.00 0.00 H new ATOM 1054 N GLY A 66 68.577 -8.098 19.078 1.00 0.00 N ATOM 1055 CA GLY A 66 67.380 -8.966 18.882 1.00 0.00 C ATOM 1056 C GLY A 66 66.417 -8.320 17.885 1.00 0.00 C ATOM 1057 O GLY A 66 65.336 -8.819 17.645 1.00 0.00 O ATOM 0 H GLY A 66 69.408 -8.378 18.558 1.00 0.00 H new ATOM 0 HA2 GLY A 66 67.688 -9.946 18.518 1.00 0.00 H new ATOM 0 HA3 GLY A 66 66.876 -9.124 19.836 1.00 0.00 H new ATOM 1061 N GLU A 67 66.797 -7.217 17.295 1.00 0.00 N ATOM 1062 CA GLU A 67 65.908 -6.535 16.306 1.00 0.00 C ATOM 1063 C GLU A 67 66.778 -6.025 15.155 1.00 0.00 C ATOM 1064 O GLU A 67 67.973 -5.867 15.307 1.00 0.00 O ATOM 1065 CB GLU A 67 65.206 -5.354 16.981 1.00 0.00 C ATOM 1066 CG GLU A 67 64.237 -5.873 18.045 1.00 0.00 C ATOM 1067 CD GLU A 67 63.543 -4.693 18.725 1.00 0.00 C ATOM 1068 OE1 GLU A 67 63.801 -3.569 18.327 1.00 0.00 O ATOM 1069 OE2 GLU A 67 62.763 -4.932 19.633 1.00 0.00 O ATOM 0 H GLU A 67 67.692 -6.755 17.457 1.00 0.00 H new ATOM 0 HA GLU A 67 65.155 -7.228 15.931 1.00 0.00 H new ATOM 0 HB2 GLU A 67 65.943 -4.693 17.437 1.00 0.00 H new ATOM 0 HB3 GLU A 67 64.666 -4.766 16.239 1.00 0.00 H new ATOM 0 HG2 GLU A 67 63.496 -6.529 17.588 1.00 0.00 H new ATOM 0 HG3 GLU A 67 64.776 -6.466 18.784 1.00 0.00 H new ATOM 1076 N CYS A 68 66.202 -5.756 14.005 1.00 0.00 N ATOM 1077 CA CYS A 68 67.016 -5.248 12.856 1.00 0.00 C ATOM 1078 C CYS A 68 66.814 -3.737 12.722 1.00 0.00 C ATOM 1079 O CYS A 68 65.762 -3.270 12.319 1.00 0.00 O ATOM 1080 CB CYS A 68 66.559 -5.937 11.567 1.00 0.00 C ATOM 1081 SG CYS A 68 67.478 -5.262 10.162 1.00 0.00 S ATOM 0 H CYS A 68 65.206 -5.866 13.814 1.00 0.00 H new ATOM 0 HA CYS A 68 68.070 -5.462 13.031 1.00 0.00 H new ATOM 0 HB2 CYS A 68 66.723 -7.012 11.639 1.00 0.00 H new ATOM 0 HB3 CYS A 68 65.489 -5.787 11.421 1.00 0.00 H new ATOM 0 HG CYS A 68 67.410 -3.964 10.182 1.00 0.00 H new ATOM 1087 N ASP A 69 67.800 -2.969 13.099 1.00 0.00 N ATOM 1088 CA ASP A 69 67.673 -1.486 13.036 1.00 0.00 C ATOM 1089 C ASP A 69 67.743 -0.994 11.585 1.00 0.00 C ATOM 1090 O ASP A 69 67.905 -1.759 10.655 1.00 0.00 O ATOM 1091 CB ASP A 69 68.801 -0.844 13.848 1.00 0.00 C ATOM 1092 CG ASP A 69 68.459 0.619 14.134 1.00 0.00 C ATOM 1093 OD1 ASP A 69 68.713 1.447 13.274 1.00 0.00 O ATOM 1094 OD2 ASP A 69 67.948 0.888 15.209 1.00 0.00 O ATOM 0 H ASP A 69 68.695 -3.309 13.451 1.00 0.00 H new ATOM 0 HA ASP A 69 66.706 -1.202 13.452 1.00 0.00 H new ATOM 0 HB2 ASP A 69 68.942 -1.385 14.784 1.00 0.00 H new ATOM 0 HB3 ASP A 69 69.740 -0.908 13.298 1.00 0.00 H new ATOM 1099 N PHE A 70 67.621 0.293 11.404 1.00 0.00 N ATOM 1100 CA PHE A 70 67.682 0.875 10.031 1.00 0.00 C ATOM 1101 C PHE A 70 69.048 0.575 9.403 1.00 0.00 C ATOM 1102 O PHE A 70 69.147 0.144 8.272 1.00 0.00 O ATOM 1103 CB PHE A 70 67.468 2.388 10.093 1.00 0.00 C ATOM 1104 CG PHE A 70 67.376 2.948 8.691 1.00 0.00 C ATOM 1105 CD1 PHE A 70 66.131 3.036 8.055 1.00 0.00 C ATOM 1106 CD2 PHE A 70 68.531 3.379 8.027 1.00 0.00 C ATOM 1107 CE1 PHE A 70 66.041 3.555 6.757 1.00 0.00 C ATOM 1108 CE2 PHE A 70 68.441 3.898 6.728 1.00 0.00 C ATOM 1109 CZ PHE A 70 67.195 3.985 6.094 1.00 0.00 C ATOM 0 H PHE A 70 67.481 0.971 12.153 1.00 0.00 H new ATOM 0 HA PHE A 70 66.896 0.428 9.422 1.00 0.00 H new ATOM 0 HB2 PHE A 70 66.556 2.614 10.646 1.00 0.00 H new ATOM 0 HB3 PHE A 70 68.291 2.860 10.630 1.00 0.00 H new ATOM 0 HD1 PHE A 70 65.240 2.703 8.566 1.00 0.00 H new ATOM 0 HD2 PHE A 70 69.492 3.312 8.516 1.00 0.00 H new ATOM 0 HE1 PHE A 70 65.080 3.623 6.268 1.00 0.00 H new ATOM 0 HE2 PHE A 70 69.332 4.231 6.216 1.00 0.00 H new ATOM 0 HZ PHE A 70 67.125 4.384 5.093 1.00 0.00 H new ATOM 1119 N GLN A 71 70.106 0.839 10.117 1.00 0.00 N ATOM 1120 CA GLN A 71 71.459 0.601 9.536 1.00 0.00 C ATOM 1121 C GLN A 71 71.560 -0.862 9.099 1.00 0.00 C ATOM 1122 O GLN A 71 71.871 -1.154 7.961 1.00 0.00 O ATOM 1123 CB GLN A 71 72.537 0.905 10.580 1.00 0.00 C ATOM 1124 CG GLN A 71 72.595 2.413 10.835 1.00 0.00 C ATOM 1125 CD GLN A 71 73.599 2.702 11.952 1.00 0.00 C ATOM 1126 OE1 GLN A 71 73.867 1.853 12.779 1.00 0.00 O ATOM 1127 NE2 GLN A 71 74.172 3.874 12.011 1.00 0.00 N ATOM 0 H GLN A 71 70.095 1.206 11.069 1.00 0.00 H new ATOM 0 HA GLN A 71 71.609 1.255 8.677 1.00 0.00 H new ATOM 0 HB2 GLN A 71 72.318 0.377 11.508 1.00 0.00 H new ATOM 0 HB3 GLN A 71 73.506 0.547 10.232 1.00 0.00 H new ATOM 0 HG2 GLN A 71 72.887 2.936 9.924 1.00 0.00 H new ATOM 0 HG3 GLN A 71 71.608 2.784 11.113 1.00 0.00 H new ATOM 0 HE21 GLN A 71 73.947 4.587 11.317 1.00 0.00 H new ATOM 0 HE22 GLN A 71 74.844 4.076 12.751 1.00 0.00 H new ATOM 1136 N GLU A 72 71.290 -1.787 9.979 1.00 0.00 N ATOM 1137 CA GLU A 72 71.365 -3.224 9.578 1.00 0.00 C ATOM 1138 C GLU A 72 70.373 -3.468 8.437 1.00 0.00 C ATOM 1139 O GLU A 72 70.667 -4.141 7.469 1.00 0.00 O ATOM 1140 CB GLU A 72 71.014 -4.107 10.776 1.00 0.00 C ATOM 1141 CG GLU A 72 72.141 -4.027 11.809 1.00 0.00 C ATOM 1142 CD GLU A 72 71.713 -4.737 13.095 1.00 0.00 C ATOM 1143 OE1 GLU A 72 70.604 -5.242 13.129 1.00 0.00 O ATOM 1144 OE2 GLU A 72 72.504 -4.762 14.024 1.00 0.00 O ATOM 0 H GLU A 72 71.023 -1.615 10.948 1.00 0.00 H new ATOM 0 HA GLU A 72 72.373 -3.469 9.244 1.00 0.00 H new ATOM 0 HB2 GLU A 72 70.074 -3.781 11.220 1.00 0.00 H new ATOM 0 HB3 GLU A 72 70.873 -5.139 10.453 1.00 0.00 H new ATOM 0 HG2 GLU A 72 73.045 -4.488 11.411 1.00 0.00 H new ATOM 0 HG3 GLU A 72 72.381 -2.985 12.020 1.00 0.00 H new ATOM 1151 N PHE A 73 69.196 -2.919 8.554 1.00 0.00 N ATOM 1152 CA PHE A 73 68.178 -3.116 7.481 1.00 0.00 C ATOM 1153 C PHE A 73 68.833 -2.787 6.139 1.00 0.00 C ATOM 1154 O PHE A 73 68.638 -3.468 5.152 1.00 0.00 O ATOM 1155 CB PHE A 73 66.973 -2.199 7.710 1.00 0.00 C ATOM 1156 CG PHE A 73 66.043 -2.282 6.524 1.00 0.00 C ATOM 1157 CD1 PHE A 73 65.068 -3.282 6.465 1.00 0.00 C ATOM 1158 CD2 PHE A 73 66.154 -1.352 5.485 1.00 0.00 C ATOM 1159 CE1 PHE A 73 64.203 -3.355 5.367 1.00 0.00 C ATOM 1160 CE2 PHE A 73 65.290 -1.422 4.385 1.00 0.00 C ATOM 1161 CZ PHE A 73 64.314 -2.424 4.327 1.00 0.00 C ATOM 0 H PHE A 73 68.895 -2.345 9.341 1.00 0.00 H new ATOM 0 HA PHE A 73 67.825 -4.147 7.491 1.00 0.00 H new ATOM 0 HB2 PHE A 73 66.447 -2.492 8.619 1.00 0.00 H new ATOM 0 HB3 PHE A 73 67.307 -1.171 7.852 1.00 0.00 H new ATOM 0 HD1 PHE A 73 64.982 -3.999 7.268 1.00 0.00 H new ATOM 0 HD2 PHE A 73 66.907 -0.579 5.531 1.00 0.00 H new ATOM 0 HE1 PHE A 73 63.451 -4.129 5.322 1.00 0.00 H new ATOM 0 HE2 PHE A 73 65.377 -0.704 3.583 1.00 0.00 H new ATOM 0 HZ PHE A 73 63.646 -2.479 3.480 1.00 0.00 H new ATOM 1171 N MET A 74 69.637 -1.762 6.111 1.00 0.00 N ATOM 1172 CA MET A 74 70.343 -1.395 4.855 1.00 0.00 C ATOM 1173 C MET A 74 71.378 -2.484 4.543 1.00 0.00 C ATOM 1174 O MET A 74 71.663 -2.777 3.399 1.00 0.00 O ATOM 1175 CB MET A 74 71.045 -0.045 5.044 1.00 0.00 C ATOM 1176 CG MET A 74 71.728 0.381 3.741 1.00 0.00 C ATOM 1177 SD MET A 74 70.469 0.692 2.471 1.00 0.00 S ATOM 1178 CE MET A 74 71.229 2.162 1.736 1.00 0.00 C ATOM 0 H MET A 74 69.836 -1.160 6.910 1.00 0.00 H new ATOM 0 HA MET A 74 69.634 -1.313 4.031 1.00 0.00 H new ATOM 0 HB2 MET A 74 70.321 0.711 5.348 1.00 0.00 H new ATOM 0 HB3 MET A 74 71.783 -0.119 5.843 1.00 0.00 H new ATOM 0 HG2 MET A 74 72.323 1.279 3.907 1.00 0.00 H new ATOM 0 HG3 MET A 74 72.413 -0.397 3.406 1.00 0.00 H new ATOM 0 HE1 MET A 74 70.707 2.419 0.814 1.00 0.00 H new ATOM 0 HE2 MET A 74 71.162 2.995 2.436 1.00 0.00 H new ATOM 0 HE3 MET A 74 72.277 1.958 1.515 1.00 0.00 H new ATOM 1188 N ALA A 75 71.939 -3.092 5.556 1.00 0.00 N ATOM 1189 CA ALA A 75 72.943 -4.167 5.311 1.00 0.00 C ATOM 1190 C ALA A 75 72.254 -5.334 4.604 1.00 0.00 C ATOM 1191 O ALA A 75 72.637 -5.735 3.530 1.00 0.00 O ATOM 1192 CB ALA A 75 73.519 -4.648 6.644 1.00 0.00 C ATOM 0 H ALA A 75 71.746 -2.891 6.537 1.00 0.00 H new ATOM 0 HA ALA A 75 73.752 -3.781 4.691 1.00 0.00 H new ATOM 0 HB1 ALA A 75 74.252 -5.434 6.461 1.00 0.00 H new ATOM 0 HB2 ALA A 75 74.000 -3.814 7.155 1.00 0.00 H new ATOM 0 HB3 ALA A 75 72.715 -5.040 7.267 1.00 0.00 H new ATOM 1198 N PHE A 76 71.238 -5.877 5.210 1.00 0.00 N ATOM 1199 CA PHE A 76 70.516 -7.028 4.586 1.00 0.00 C ATOM 1200 C PHE A 76 70.224 -6.681 3.120 1.00 0.00 C ATOM 1201 O PHE A 76 70.292 -7.512 2.240 1.00 0.00 O ATOM 1202 CB PHE A 76 69.205 -7.267 5.338 1.00 0.00 C ATOM 1203 CG PHE A 76 68.513 -8.482 4.776 1.00 0.00 C ATOM 1204 CD1 PHE A 76 67.620 -8.345 3.709 1.00 0.00 C ATOM 1205 CD2 PHE A 76 68.758 -9.745 5.327 1.00 0.00 C ATOM 1206 CE1 PHE A 76 66.971 -9.472 3.190 1.00 0.00 C ATOM 1207 CE2 PHE A 76 68.110 -10.873 4.810 1.00 0.00 C ATOM 1208 CZ PHE A 76 67.217 -10.736 3.740 1.00 0.00 C ATOM 0 H PHE A 76 70.872 -5.576 6.113 1.00 0.00 H new ATOM 0 HA PHE A 76 71.123 -7.932 4.636 1.00 0.00 H new ATOM 0 HB2 PHE A 76 69.404 -7.409 6.400 1.00 0.00 H new ATOM 0 HB3 PHE A 76 68.558 -6.394 5.248 1.00 0.00 H new ATOM 0 HD1 PHE A 76 67.431 -7.370 3.285 1.00 0.00 H new ATOM 0 HD2 PHE A 76 69.448 -9.849 6.152 1.00 0.00 H new ATOM 0 HE1 PHE A 76 66.281 -9.366 2.366 1.00 0.00 H new ATOM 0 HE2 PHE A 76 68.298 -11.848 5.236 1.00 0.00 H new ATOM 0 HZ PHE A 76 66.718 -11.606 3.339 1.00 0.00 H new ATOM 1218 N VAL A 77 69.946 -5.438 2.868 1.00 0.00 N ATOM 1219 CA VAL A 77 69.699 -5.001 1.462 1.00 0.00 C ATOM 1220 C VAL A 77 71.027 -5.085 0.694 1.00 0.00 C ATOM 1221 O VAL A 77 71.088 -5.565 -0.433 1.00 0.00 O ATOM 1222 CB VAL A 77 69.153 -3.568 1.437 1.00 0.00 C ATOM 1223 CG1 VAL A 77 69.138 -3.043 -0.001 1.00 0.00 C ATOM 1224 CG2 VAL A 77 67.723 -3.567 1.983 1.00 0.00 C ATOM 0 H VAL A 77 69.878 -4.702 3.571 1.00 0.00 H new ATOM 0 HA VAL A 77 68.957 -5.647 0.993 1.00 0.00 H new ATOM 0 HB VAL A 77 69.789 -2.929 2.050 1.00 0.00 H new ATOM 0 HG11 VAL A 77 68.749 -2.025 -0.013 1.00 0.00 H new ATOM 0 HG12 VAL A 77 70.152 -3.049 -0.401 1.00 0.00 H new ATOM 0 HG13 VAL A 77 68.502 -3.681 -0.615 1.00 0.00 H new ATOM 0 HG21 VAL A 77 67.329 -2.551 1.968 1.00 0.00 H new ATOM 0 HG22 VAL A 77 67.097 -4.209 1.363 1.00 0.00 H new ATOM 0 HG23 VAL A 77 67.724 -3.941 3.007 1.00 0.00 H new ATOM 1234 N SER A 78 72.108 -4.672 1.309 1.00 0.00 N ATOM 1235 CA SER A 78 73.423 -4.773 0.627 1.00 0.00 C ATOM 1236 C SER A 78 73.826 -6.239 0.614 1.00 0.00 C ATOM 1237 O SER A 78 74.244 -6.774 -0.394 1.00 0.00 O ATOM 1238 CB SER A 78 74.466 -3.963 1.397 1.00 0.00 C ATOM 1239 OG SER A 78 74.830 -4.669 2.577 1.00 0.00 O ATOM 0 H SER A 78 72.131 -4.273 2.247 1.00 0.00 H new ATOM 0 HA SER A 78 73.357 -4.383 -0.389 1.00 0.00 H new ATOM 0 HB2 SER A 78 75.345 -3.794 0.774 1.00 0.00 H new ATOM 0 HB3 SER A 78 74.065 -2.983 1.655 1.00 0.00 H new ATOM 0 HG SER A 78 74.023 -5.004 3.020 1.00 0.00 H new ATOM 1245 N MET A 79 73.736 -6.883 1.752 1.00 0.00 N ATOM 1246 CA MET A 79 74.138 -8.310 1.874 1.00 0.00 C ATOM 1247 C MET A 79 73.598 -9.048 0.679 1.00 0.00 C ATOM 1248 O MET A 79 74.282 -9.847 0.073 1.00 0.00 O ATOM 1249 CB MET A 79 73.553 -8.898 3.157 1.00 0.00 C ATOM 1250 CG MET A 79 74.163 -10.279 3.413 1.00 0.00 C ATOM 1251 SD MET A 79 73.637 -10.892 5.034 1.00 0.00 S ATOM 1252 CE MET A 79 74.882 -10.041 6.040 1.00 0.00 C ATOM 0 H MET A 79 73.393 -6.466 2.617 1.00 0.00 H new ATOM 0 HA MET A 79 75.224 -8.400 1.913 1.00 0.00 H new ATOM 0 HB2 MET A 79 73.758 -8.237 3.999 1.00 0.00 H new ATOM 0 HB3 MET A 79 72.469 -8.978 3.071 1.00 0.00 H new ATOM 0 HG2 MET A 79 73.852 -10.974 2.633 1.00 0.00 H new ATOM 0 HG3 MET A 79 75.251 -10.219 3.372 1.00 0.00 H new ATOM 0 HE1 MET A 79 74.812 -10.384 7.072 1.00 0.00 H new ATOM 0 HE2 MET A 79 75.876 -10.261 5.651 1.00 0.00 H new ATOM 0 HE3 MET A 79 74.707 -8.966 6.002 1.00 0.00 H new ATOM 1262 N VAL A 80 72.402 -8.734 0.273 1.00 0.00 N ATOM 1263 CA VAL A 80 71.892 -9.377 -0.953 1.00 0.00 C ATOM 1264 C VAL A 80 72.940 -9.061 -2.026 1.00 0.00 C ATOM 1265 O VAL A 80 73.789 -9.878 -2.322 1.00 0.00 O ATOM 1266 CB VAL A 80 70.514 -8.795 -1.317 1.00 0.00 C ATOM 1267 CG1 VAL A 80 70.152 -9.160 -2.763 1.00 0.00 C ATOM 1268 CG2 VAL A 80 69.457 -9.388 -0.379 1.00 0.00 C ATOM 0 H VAL A 80 71.772 -8.074 0.729 1.00 0.00 H new ATOM 0 HA VAL A 80 71.750 -10.452 -0.842 1.00 0.00 H new ATOM 0 HB VAL A 80 70.547 -7.710 -1.216 1.00 0.00 H new ATOM 0 HG11 VAL A 80 69.175 -8.743 -3.010 1.00 0.00 H new ATOM 0 HG12 VAL A 80 70.902 -8.752 -3.440 1.00 0.00 H new ATOM 0 HG13 VAL A 80 70.121 -10.245 -2.868 1.00 0.00 H new ATOM 0 HG21 VAL A 80 68.478 -8.981 -0.630 1.00 0.00 H new ATOM 0 HG22 VAL A 80 69.439 -10.472 -0.491 1.00 0.00 H new ATOM 0 HG23 VAL A 80 69.702 -9.134 0.652 1.00 0.00 H new ATOM 1278 N THR A 81 72.865 -7.919 -2.654 1.00 0.00 N ATOM 1279 CA THR A 81 73.833 -7.607 -3.754 1.00 0.00 C ATOM 1280 C THR A 81 75.278 -8.028 -3.424 1.00 0.00 C ATOM 1281 O THR A 81 75.912 -8.709 -4.206 1.00 0.00 O ATOM 1282 CB THR A 81 73.814 -6.099 -4.010 1.00 0.00 C ATOM 1283 OG1 THR A 81 74.198 -5.416 -2.826 1.00 0.00 O ATOM 1284 CG2 THR A 81 72.410 -5.660 -4.425 1.00 0.00 C ATOM 0 H THR A 81 72.180 -7.189 -2.457 1.00 0.00 H new ATOM 0 HA THR A 81 73.519 -8.173 -4.631 1.00 0.00 H new ATOM 0 HB THR A 81 74.513 -5.860 -4.812 1.00 0.00 H new ATOM 0 HG1 THR A 81 74.023 -5.986 -2.048 1.00 0.00 H new ATOM 0 HG21 THR A 81 72.403 -4.585 -4.606 1.00 0.00 H new ATOM 0 HG22 THR A 81 72.120 -6.183 -5.336 1.00 0.00 H new ATOM 0 HG23 THR A 81 71.704 -5.898 -3.629 1.00 0.00 H new ATOM 1292 N THR A 82 75.825 -7.626 -2.310 1.00 0.00 N ATOM 1293 CA THR A 82 77.236 -8.011 -2.007 1.00 0.00 C ATOM 1294 C THR A 82 77.373 -9.536 -1.950 1.00 0.00 C ATOM 1295 O THR A 82 78.396 -10.088 -2.303 1.00 0.00 O ATOM 1296 CB THR A 82 77.656 -7.408 -0.668 1.00 0.00 C ATOM 1297 OG1 THR A 82 76.828 -7.919 0.357 1.00 0.00 O ATOM 1298 CG2 THR A 82 77.528 -5.888 -0.724 1.00 0.00 C ATOM 0 H THR A 82 75.364 -7.054 -1.602 1.00 0.00 H new ATOM 0 HA THR A 82 77.882 -7.630 -2.798 1.00 0.00 H new ATOM 0 HB THR A 82 78.693 -7.671 -0.461 1.00 0.00 H new ATOM 0 HG1 THR A 82 75.899 -7.656 0.189 1.00 0.00 H new ATOM 0 HG21 THR A 82 77.829 -5.462 0.233 1.00 0.00 H new ATOM 0 HG22 THR A 82 78.171 -5.498 -1.513 1.00 0.00 H new ATOM 0 HG23 THR A 82 76.493 -5.617 -0.932 1.00 0.00 H new ATOM 1306 N ALA A 83 76.349 -10.221 -1.528 1.00 0.00 N ATOM 1307 CA ALA A 83 76.423 -11.709 -1.470 1.00 0.00 C ATOM 1308 C ALA A 83 76.374 -12.269 -2.893 1.00 0.00 C ATOM 1309 O ALA A 83 77.013 -13.251 -3.214 1.00 0.00 O ATOM 1310 CB ALA A 83 75.240 -12.256 -0.670 1.00 0.00 C ATOM 0 H ALA A 83 75.464 -9.817 -1.221 1.00 0.00 H new ATOM 0 HA ALA A 83 77.353 -12.007 -0.985 1.00 0.00 H new ATOM 0 HB1 ALA A 83 75.299 -13.344 -0.631 1.00 0.00 H new ATOM 0 HB2 ALA A 83 75.269 -11.854 0.343 1.00 0.00 H new ATOM 0 HB3 ALA A 83 74.308 -11.960 -1.151 1.00 0.00 H new ATOM 1316 N CYS A 84 75.613 -11.638 -3.747 1.00 0.00 N ATOM 1317 CA CYS A 84 75.503 -12.111 -5.156 1.00 0.00 C ATOM 1318 C CYS A 84 76.606 -11.469 -6.000 1.00 0.00 C ATOM 1319 O CYS A 84 76.804 -10.271 -5.970 1.00 0.00 O ATOM 1320 CB CYS A 84 74.138 -11.711 -5.718 1.00 0.00 C ATOM 1321 SG CYS A 84 72.838 -12.614 -4.840 1.00 0.00 S ATOM 0 H CYS A 84 75.060 -10.810 -3.527 1.00 0.00 H new ATOM 0 HA CYS A 84 75.609 -13.195 -5.185 1.00 0.00 H new ATOM 0 HB2 CYS A 84 73.988 -10.637 -5.608 1.00 0.00 H new ATOM 0 HB3 CYS A 84 74.093 -11.932 -6.784 1.00 0.00 H new ATOM 0 HG CYS A 84 71.677 -12.274 -5.315 1.00 0.00 H new ATOM 1450 N SER B 1 60.339 -7.157 -6.530 1.00 0.00 N ATOM 1451 CA SER B 1 59.480 -6.284 -7.379 1.00 0.00 C ATOM 1452 C SER B 1 60.062 -4.867 -7.404 1.00 0.00 C ATOM 1453 O SER B 1 61.173 -4.651 -7.844 1.00 0.00 O ATOM 1454 CB SER B 1 58.065 -6.253 -6.801 1.00 0.00 C ATOM 1455 OG SER B 1 58.092 -5.629 -5.525 1.00 0.00 O ATOM 0 H1 SER B 1 59.918 -8.106 -6.471 1.00 0.00 H new ATOM 0 H2 SER B 1 61.288 -7.225 -6.950 1.00 0.00 H new ATOM 0 H3 SER B 1 60.412 -6.750 -5.576 1.00 0.00 H new ATOM 0 HA SER B 1 59.446 -6.676 -8.395 1.00 0.00 H new ATOM 0 HB2 SER B 1 57.398 -5.709 -7.470 1.00 0.00 H new ATOM 0 HB3 SER B 1 57.673 -7.266 -6.715 1.00 0.00 H new ATOM 0 HG SER B 1 57.186 -5.606 -5.153 1.00 0.00 H new ATOM 1463 N GLU B 2 59.315 -3.896 -6.949 1.00 0.00 N ATOM 1464 CA GLU B 2 59.815 -2.491 -6.962 1.00 0.00 C ATOM 1465 C GLU B 2 61.091 -2.369 -6.126 1.00 0.00 C ATOM 1466 O GLU B 2 61.996 -1.636 -6.473 1.00 0.00 O ATOM 1467 CB GLU B 2 58.739 -1.567 -6.386 1.00 0.00 C ATOM 1468 CG GLU B 2 57.569 -1.470 -7.366 1.00 0.00 C ATOM 1469 CD GLU B 2 56.485 -0.563 -6.781 1.00 0.00 C ATOM 1470 OE1 GLU B 2 56.616 -0.184 -5.629 1.00 0.00 O ATOM 1471 OE2 GLU B 2 55.540 -0.266 -7.493 1.00 0.00 O ATOM 0 H GLU B 2 58.377 -4.017 -6.568 1.00 0.00 H new ATOM 0 HA GLU B 2 60.040 -2.206 -7.989 1.00 0.00 H new ATOM 0 HB2 GLU B 2 58.392 -1.950 -5.426 1.00 0.00 H new ATOM 0 HB3 GLU B 2 59.156 -0.577 -6.202 1.00 0.00 H new ATOM 0 HG2 GLU B 2 57.913 -1.073 -8.321 1.00 0.00 H new ATOM 0 HG3 GLU B 2 57.161 -2.462 -7.561 1.00 0.00 H new ATOM 1478 N LEU B 3 61.187 -3.078 -5.034 1.00 0.00 N ATOM 1479 CA LEU B 3 62.416 -2.994 -4.196 1.00 0.00 C ATOM 1480 C LEU B 3 63.595 -3.634 -4.934 1.00 0.00 C ATOM 1481 O LEU B 3 64.718 -3.180 -4.835 1.00 0.00 O ATOM 1482 CB LEU B 3 62.170 -3.727 -2.870 1.00 0.00 C ATOM 1483 CG LEU B 3 63.438 -3.720 -2.000 1.00 0.00 C ATOM 1484 CD1 LEU B 3 63.863 -2.277 -1.686 1.00 0.00 C ATOM 1485 CD2 LEU B 3 63.140 -4.462 -0.692 1.00 0.00 C ATOM 0 H LEU B 3 60.467 -3.712 -4.686 1.00 0.00 H new ATOM 0 HA LEU B 3 62.652 -1.949 -3.998 1.00 0.00 H new ATOM 0 HB2 LEU B 3 61.351 -3.250 -2.332 1.00 0.00 H new ATOM 0 HB3 LEU B 3 61.865 -4.754 -3.068 1.00 0.00 H new ATOM 0 HG LEU B 3 64.249 -4.212 -2.537 1.00 0.00 H new ATOM 0 HD11 LEU B 3 64.762 -2.288 -1.070 1.00 0.00 H new ATOM 0 HD12 LEU B 3 64.068 -1.747 -2.616 1.00 0.00 H new ATOM 0 HD13 LEU B 3 63.061 -1.770 -1.149 1.00 0.00 H new ATOM 0 HD21 LEU B 3 64.031 -4.465 -0.064 1.00 0.00 H new ATOM 0 HD22 LEU B 3 62.327 -3.961 -0.166 1.00 0.00 H new ATOM 0 HD23 LEU B 3 62.849 -5.489 -0.914 1.00 0.00 H new ATOM 1497 N GLU B 4 63.354 -4.680 -5.676 1.00 0.00 N ATOM 1498 CA GLU B 4 64.468 -5.333 -6.417 1.00 0.00 C ATOM 1499 C GLU B 4 65.068 -4.331 -7.401 1.00 0.00 C ATOM 1500 O GLU B 4 66.266 -4.260 -7.581 1.00 0.00 O ATOM 1501 CB GLU B 4 63.924 -6.550 -7.176 1.00 0.00 C ATOM 1502 CG GLU B 4 65.071 -7.295 -7.869 1.00 0.00 C ATOM 1503 CD GLU B 4 66.020 -7.875 -6.818 1.00 0.00 C ATOM 1504 OE1 GLU B 4 65.617 -7.967 -5.670 1.00 0.00 O ATOM 1505 OE2 GLU B 4 67.133 -8.218 -7.180 1.00 0.00 O ATOM 0 H GLU B 4 62.437 -5.109 -5.800 1.00 0.00 H new ATOM 0 HA GLU B 4 65.239 -5.660 -5.720 1.00 0.00 H new ATOM 0 HB2 GLU B 4 63.410 -7.219 -6.486 1.00 0.00 H new ATOM 0 HB3 GLU B 4 63.190 -6.229 -7.915 1.00 0.00 H new ATOM 0 HG2 GLU B 4 64.673 -8.094 -8.494 1.00 0.00 H new ATOM 0 HG3 GLU B 4 65.613 -6.616 -8.527 1.00 0.00 H new ATOM 1512 N LYS B 5 64.240 -3.553 -8.038 1.00 0.00 N ATOM 1513 CA LYS B 5 64.744 -2.550 -9.018 1.00 0.00 C ATOM 1514 C LYS B 5 65.684 -1.572 -8.317 1.00 0.00 C ATOM 1515 O LYS B 5 66.646 -1.101 -8.888 1.00 0.00 O ATOM 1516 CB LYS B 5 63.559 -1.773 -9.603 1.00 0.00 C ATOM 1517 CG LYS B 5 62.598 -2.729 -10.328 1.00 0.00 C ATOM 1518 CD LYS B 5 63.192 -3.173 -11.671 1.00 0.00 C ATOM 1519 CE LYS B 5 62.107 -3.858 -12.503 1.00 0.00 C ATOM 1520 NZ LYS B 5 62.641 -4.160 -13.860 1.00 0.00 N ATOM 0 H LYS B 5 63.227 -3.568 -7.921 1.00 0.00 H new ATOM 0 HA LYS B 5 65.281 -3.064 -9.815 1.00 0.00 H new ATOM 0 HB2 LYS B 5 63.030 -1.250 -8.806 1.00 0.00 H new ATOM 0 HB3 LYS B 5 63.920 -1.014 -10.297 1.00 0.00 H new ATOM 0 HG2 LYS B 5 62.404 -3.601 -9.704 1.00 0.00 H new ATOM 0 HG3 LYS B 5 61.640 -2.235 -10.493 1.00 0.00 H new ATOM 0 HD2 LYS B 5 63.589 -2.312 -12.208 1.00 0.00 H new ATOM 0 HD3 LYS B 5 64.025 -3.857 -11.505 1.00 0.00 H new ATOM 0 HE2 LYS B 5 61.785 -4.777 -12.014 1.00 0.00 H new ATOM 0 HE3 LYS B 5 61.231 -3.214 -12.580 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 61.904 -4.626 -14.427 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 62.928 -3.275 -14.325 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 63.464 -4.790 -13.777 1.00 0.00 H new ATOM 1534 N ALA B 6 65.405 -1.254 -7.087 1.00 0.00 N ATOM 1535 CA ALA B 6 66.278 -0.296 -6.358 1.00 0.00 C ATOM 1536 C ALA B 6 67.704 -0.850 -6.285 1.00 0.00 C ATOM 1537 O ALA B 6 68.655 -0.167 -6.606 1.00 0.00 O ATOM 1538 CB ALA B 6 65.734 -0.095 -4.941 1.00 0.00 C ATOM 0 H ALA B 6 64.613 -1.614 -6.555 1.00 0.00 H new ATOM 0 HA ALA B 6 66.290 0.658 -6.885 1.00 0.00 H new ATOM 0 HB1 ALA B 6 66.371 0.607 -4.403 1.00 0.00 H new ATOM 0 HB2 ALA B 6 64.720 0.302 -4.993 1.00 0.00 H new ATOM 0 HB3 ALA B 6 65.723 -1.051 -4.417 1.00 0.00 H new ATOM 1544 N MET B 7 67.865 -2.079 -5.870 1.00 0.00 N ATOM 1545 CA MET B 7 69.240 -2.657 -5.783 1.00 0.00 C ATOM 1546 C MET B 7 69.828 -2.833 -7.188 1.00 0.00 C ATOM 1547 O MET B 7 70.993 -2.580 -7.420 1.00 0.00 O ATOM 1548 CB MET B 7 69.178 -4.019 -5.089 1.00 0.00 C ATOM 1549 CG MET B 7 68.845 -3.828 -3.607 1.00 0.00 C ATOM 1550 SD MET B 7 68.801 -5.443 -2.785 1.00 0.00 S ATOM 1551 CE MET B 7 67.356 -6.113 -3.643 1.00 0.00 C ATOM 0 H MET B 7 67.110 -2.705 -5.589 1.00 0.00 H new ATOM 0 HA MET B 7 69.873 -1.979 -5.211 1.00 0.00 H new ATOM 0 HB2 MET B 7 68.423 -4.646 -5.564 1.00 0.00 H new ATOM 0 HB3 MET B 7 70.132 -4.535 -5.194 1.00 0.00 H new ATOM 0 HG2 MET B 7 69.591 -3.188 -3.135 1.00 0.00 H new ATOM 0 HG3 MET B 7 67.882 -3.328 -3.501 1.00 0.00 H new ATOM 0 HE1 MET B 7 66.885 -6.874 -3.022 1.00 0.00 H new ATOM 0 HE2 MET B 7 66.644 -5.311 -3.837 1.00 0.00 H new ATOM 0 HE3 MET B 7 67.668 -6.558 -4.588 1.00 0.00 H new ATOM 1561 N VAL B 8 69.034 -3.286 -8.119 1.00 0.00 N ATOM 1562 CA VAL B 8 69.546 -3.506 -9.504 1.00 0.00 C ATOM 1563 C VAL B 8 70.061 -2.184 -10.073 1.00 0.00 C ATOM 1564 O VAL B 8 71.066 -2.144 -10.755 1.00 0.00 O ATOM 1565 CB VAL B 8 68.418 -4.046 -10.394 1.00 0.00 C ATOM 1566 CG1 VAL B 8 68.859 -4.046 -11.862 1.00 0.00 C ATOM 1567 CG2 VAL B 8 68.081 -5.479 -9.977 1.00 0.00 C ATOM 0 H VAL B 8 68.050 -3.514 -7.981 1.00 0.00 H new ATOM 0 HA VAL B 8 70.359 -4.231 -9.477 1.00 0.00 H new ATOM 0 HB VAL B 8 67.542 -3.408 -10.279 1.00 0.00 H new ATOM 0 HG11 VAL B 8 68.051 -4.431 -12.485 1.00 0.00 H new ATOM 0 HG12 VAL B 8 69.101 -3.029 -12.169 1.00 0.00 H new ATOM 0 HG13 VAL B 8 69.739 -4.679 -11.978 1.00 0.00 H new ATOM 0 HG21 VAL B 8 67.280 -5.863 -10.609 1.00 0.00 H new ATOM 0 HG22 VAL B 8 68.964 -6.108 -10.089 1.00 0.00 H new ATOM 0 HG23 VAL B 8 67.758 -5.489 -8.936 1.00 0.00 H new ATOM 1577 N ALA B 9 69.377 -1.106 -9.821 1.00 0.00 N ATOM 1578 CA ALA B 9 69.832 0.197 -10.374 1.00 0.00 C ATOM 1579 C ALA B 9 71.242 0.505 -9.868 1.00 0.00 C ATOM 1580 O ALA B 9 72.076 0.997 -10.602 1.00 0.00 O ATOM 1581 CB ALA B 9 68.880 1.304 -9.918 1.00 0.00 C ATOM 0 H ALA B 9 68.527 -1.070 -9.259 1.00 0.00 H new ATOM 0 HA ALA B 9 69.839 0.144 -11.463 1.00 0.00 H new ATOM 0 HB1 ALA B 9 69.213 2.260 -10.323 1.00 0.00 H new ATOM 0 HB2 ALA B 9 67.873 1.089 -10.276 1.00 0.00 H new ATOM 0 HB3 ALA B 9 68.874 1.353 -8.829 1.00 0.00 H new ATOM 1587 N LEU B 10 71.523 0.224 -8.628 1.00 0.00 N ATOM 1588 CA LEU B 10 72.889 0.514 -8.102 1.00 0.00 C ATOM 1589 C LEU B 10 73.929 -0.273 -8.910 1.00 0.00 C ATOM 1590 O LEU B 10 74.949 0.259 -9.302 1.00 0.00 O ATOM 1591 CB LEU B 10 72.981 0.110 -6.613 1.00 0.00 C ATOM 1592 CG LEU B 10 72.528 1.262 -5.702 1.00 0.00 C ATOM 1593 CD1 LEU B 10 71.016 1.457 -5.815 1.00 0.00 C ATOM 1594 CD2 LEU B 10 72.885 0.920 -4.254 1.00 0.00 C ATOM 0 H LEU B 10 70.874 -0.190 -7.959 1.00 0.00 H new ATOM 0 HA LEU B 10 73.085 1.582 -8.195 1.00 0.00 H new ATOM 0 HB2 LEU B 10 72.361 -0.768 -6.431 1.00 0.00 H new ATOM 0 HB3 LEU B 10 74.006 -0.169 -6.371 1.00 0.00 H new ATOM 0 HG LEU B 10 73.029 2.181 -6.006 1.00 0.00 H new ATOM 0 HD11 LEU B 10 70.705 2.275 -5.166 1.00 0.00 H new ATOM 0 HD12 LEU B 10 70.756 1.693 -6.847 1.00 0.00 H new ATOM 0 HD13 LEU B 10 70.507 0.541 -5.513 1.00 0.00 H new ATOM 0 HD21 LEU B 10 72.567 1.732 -3.600 1.00 0.00 H new ATOM 0 HD22 LEU B 10 72.379 -0.000 -3.962 1.00 0.00 H new ATOM 0 HD23 LEU B 10 73.963 0.785 -4.167 1.00 0.00 H new ATOM 1606 N ILE B 11 73.693 -1.535 -9.153 1.00 0.00 N ATOM 1607 CA ILE B 11 74.692 -2.331 -9.922 1.00 0.00 C ATOM 1608 C ILE B 11 74.886 -1.713 -11.307 1.00 0.00 C ATOM 1609 O ILE B 11 75.995 -1.459 -11.734 1.00 0.00 O ATOM 1610 CB ILE B 11 74.193 -3.770 -10.078 1.00 0.00 C ATOM 1611 CG1 ILE B 11 74.001 -4.398 -8.693 1.00 0.00 C ATOM 1612 CG2 ILE B 11 75.223 -4.580 -10.871 1.00 0.00 C ATOM 1613 CD1 ILE B 11 73.271 -5.738 -8.831 1.00 0.00 C ATOM 0 H ILE B 11 72.861 -2.044 -8.856 1.00 0.00 H new ATOM 0 HA ILE B 11 75.641 -2.329 -9.385 1.00 0.00 H new ATOM 0 HB ILE B 11 73.241 -3.771 -10.610 1.00 0.00 H new ATOM 0 HG12 ILE B 11 74.968 -4.547 -8.213 1.00 0.00 H new ATOM 0 HG13 ILE B 11 73.429 -3.725 -8.054 1.00 0.00 H new ATOM 0 HG21 ILE B 11 74.871 -5.605 -10.984 1.00 0.00 H new ATOM 0 HG22 ILE B 11 75.358 -4.132 -11.856 1.00 0.00 H new ATOM 0 HG23 ILE B 11 76.174 -4.580 -10.339 1.00 0.00 H new ATOM 0 HD11 ILE B 11 73.136 -6.182 -7.845 1.00 0.00 H new ATOM 0 HD12 ILE B 11 72.297 -5.576 -9.292 1.00 0.00 H new ATOM 0 HD13 ILE B 11 73.860 -6.411 -9.454 1.00 0.00 H new ATOM 1625 N ASP B 12 73.818 -1.474 -12.016 1.00 0.00 N ATOM 1626 CA ASP B 12 73.951 -0.878 -13.374 1.00 0.00 C ATOM 1627 C ASP B 12 74.526 0.533 -13.262 1.00 0.00 C ATOM 1628 O ASP B 12 75.377 0.931 -14.033 1.00 0.00 O ATOM 1629 CB ASP B 12 72.575 -0.816 -14.038 1.00 0.00 C ATOM 1630 CG ASP B 12 72.108 -2.232 -14.382 1.00 0.00 C ATOM 1631 OD1 ASP B 12 72.960 -3.072 -14.625 1.00 0.00 O ATOM 1632 OD2 ASP B 12 70.908 -2.454 -14.393 1.00 0.00 O ATOM 0 H ASP B 12 72.862 -1.665 -11.715 1.00 0.00 H new ATOM 0 HA ASP B 12 74.620 -1.493 -13.976 1.00 0.00 H new ATOM 0 HB2 ASP B 12 71.859 -0.338 -13.370 1.00 0.00 H new ATOM 0 HB3 ASP B 12 72.623 -0.208 -14.942 1.00 0.00 H new ATOM 1637 N VAL B 13 74.075 1.294 -12.306 1.00 0.00 N ATOM 1638 CA VAL B 13 74.609 2.674 -12.153 1.00 0.00 C ATOM 1639 C VAL B 13 76.059 2.602 -11.659 1.00 0.00 C ATOM 1640 O VAL B 13 76.924 3.307 -12.133 1.00 0.00 O ATOM 1641 CB VAL B 13 73.750 3.452 -11.150 1.00 0.00 C ATOM 1642 CG1 VAL B 13 74.409 4.800 -10.842 1.00 0.00 C ATOM 1643 CG2 VAL B 13 72.363 3.694 -11.751 1.00 0.00 C ATOM 0 H VAL B 13 73.364 1.022 -11.627 1.00 0.00 H new ATOM 0 HA VAL B 13 74.580 3.188 -13.114 1.00 0.00 H new ATOM 0 HB VAL B 13 73.658 2.875 -10.230 1.00 0.00 H new ATOM 0 HG11 VAL B 13 73.796 5.350 -10.129 1.00 0.00 H new ATOM 0 HG12 VAL B 13 75.398 4.633 -10.416 1.00 0.00 H new ATOM 0 HG13 VAL B 13 74.503 5.378 -11.762 1.00 0.00 H new ATOM 0 HG21 VAL B 13 71.750 4.247 -11.040 1.00 0.00 H new ATOM 0 HG22 VAL B 13 72.461 4.270 -12.671 1.00 0.00 H new ATOM 0 HG23 VAL B 13 71.890 2.737 -11.971 1.00 0.00 H new ATOM 1653 N PHE B 14 76.331 1.757 -10.704 1.00 0.00 N ATOM 1654 CA PHE B 14 77.723 1.650 -10.176 1.00 0.00 C ATOM 1655 C PHE B 14 78.695 1.235 -11.288 1.00 0.00 C ATOM 1656 O PHE B 14 79.718 1.860 -11.495 1.00 0.00 O ATOM 1657 CB PHE B 14 77.749 0.595 -9.066 1.00 0.00 C ATOM 1658 CG PHE B 14 79.167 0.371 -8.591 1.00 0.00 C ATOM 1659 CD1 PHE B 14 79.969 -0.590 -9.219 1.00 0.00 C ATOM 1660 CD2 PHE B 14 79.675 1.111 -7.517 1.00 0.00 C ATOM 1661 CE1 PHE B 14 81.279 -0.810 -8.775 1.00 0.00 C ATOM 1662 CE2 PHE B 14 80.986 0.893 -7.074 1.00 0.00 C ATOM 1663 CZ PHE B 14 81.787 -0.069 -7.703 1.00 0.00 C ATOM 0 H PHE B 14 75.651 1.136 -10.265 1.00 0.00 H new ATOM 0 HA PHE B 14 78.032 2.621 -9.789 1.00 0.00 H new ATOM 0 HB2 PHE B 14 77.125 0.918 -8.232 1.00 0.00 H new ATOM 0 HB3 PHE B 14 77.329 -0.341 -9.434 1.00 0.00 H new ATOM 0 HD1 PHE B 14 79.577 -1.162 -10.047 1.00 0.00 H new ATOM 0 HD2 PHE B 14 79.056 1.850 -7.030 1.00 0.00 H new ATOM 0 HE1 PHE B 14 81.897 -1.551 -9.260 1.00 0.00 H new ATOM 0 HE2 PHE B 14 81.379 1.467 -6.248 1.00 0.00 H new ATOM 0 HZ PHE B 14 82.797 -0.238 -7.360 1.00 0.00 H new ATOM 1673 N HIS B 15 78.419 0.150 -11.961 1.00 0.00 N ATOM 1674 CA HIS B 15 79.360 -0.348 -13.005 1.00 0.00 C ATOM 1675 C HIS B 15 79.578 0.673 -14.122 1.00 0.00 C ATOM 1676 O HIS B 15 80.691 0.847 -14.578 1.00 0.00 O ATOM 1677 CB HIS B 15 78.802 -1.642 -13.602 1.00 0.00 C ATOM 1678 CG HIS B 15 79.744 -2.156 -14.657 1.00 0.00 C ATOM 1679 ND1 HIS B 15 79.632 -1.791 -15.991 1.00 0.00 N ATOM 1680 CD2 HIS B 15 80.815 -3.013 -14.591 1.00 0.00 C ATOM 1681 CE1 HIS B 15 80.611 -2.421 -16.668 1.00 0.00 C ATOM 1682 NE2 HIS B 15 81.356 -3.177 -15.861 1.00 0.00 N ATOM 0 H HIS B 15 77.579 -0.414 -11.832 1.00 0.00 H new ATOM 0 HA HIS B 15 80.325 -0.525 -12.529 1.00 0.00 H new ATOM 0 HB2 HIS B 15 78.673 -2.390 -12.820 1.00 0.00 H new ATOM 0 HB3 HIS B 15 77.818 -1.460 -14.035 1.00 0.00 H new ATOM 0 HD1 HIS B 15 78.935 -1.160 -16.387 1.00 0.00 H new ATOM 0 HD2 HIS B 15 81.180 -3.486 -13.692 1.00 0.00 H new ATOM 0 HE1 HIS B 15 80.772 -2.326 -17.732 1.00 0.00 H new ATOM 1691 N GLN B 16 78.567 1.356 -14.586 1.00 0.00 N ATOM 1692 CA GLN B 16 78.820 2.341 -15.680 1.00 0.00 C ATOM 1693 C GLN B 16 79.615 3.530 -15.132 1.00 0.00 C ATOM 1694 O GLN B 16 80.516 4.034 -15.774 1.00 0.00 O ATOM 1695 CB GLN B 16 77.483 2.834 -16.260 1.00 0.00 C ATOM 1696 CG GLN B 16 76.899 1.791 -17.225 1.00 0.00 C ATOM 1697 CD GLN B 16 76.369 0.593 -16.436 1.00 0.00 C ATOM 1698 OE1 GLN B 16 77.132 -0.159 -15.867 1.00 0.00 O ATOM 1699 NE2 GLN B 16 75.082 0.383 -16.385 1.00 0.00 N ATOM 0 H GLN B 16 77.601 1.280 -14.267 1.00 0.00 H new ATOM 0 HA GLN B 16 79.395 1.857 -16.469 1.00 0.00 H new ATOM 0 HB2 GLN B 16 76.777 3.026 -15.452 1.00 0.00 H new ATOM 0 HB3 GLN B 16 77.633 3.779 -16.783 1.00 0.00 H new ATOM 0 HG2 GLN B 16 76.095 2.235 -17.812 1.00 0.00 H new ATOM 0 HG3 GLN B 16 77.665 1.464 -17.929 1.00 0.00 H new ATOM 0 HE21 GLN B 16 74.442 1.017 -16.864 1.00 0.00 H new ATOM 0 HE22 GLN B 16 74.716 -0.415 -15.866 1.00 0.00 H new ATOM 1708 N TYR B 17 79.297 3.975 -13.950 1.00 0.00 N ATOM 1709 CA TYR B 17 80.044 5.124 -13.364 1.00 0.00 C ATOM 1710 C TYR B 17 81.446 4.669 -12.934 1.00 0.00 C ATOM 1711 O TYR B 17 82.425 5.351 -13.166 1.00 0.00 O ATOM 1712 CB TYR B 17 79.267 5.676 -12.149 1.00 0.00 C ATOM 1713 CG TYR B 17 78.305 6.761 -12.589 1.00 0.00 C ATOM 1714 CD1 TYR B 17 77.013 6.436 -13.020 1.00 0.00 C ATOM 1715 CD2 TYR B 17 78.716 8.099 -12.564 1.00 0.00 C ATOM 1716 CE1 TYR B 17 76.135 7.448 -13.424 1.00 0.00 C ATOM 1717 CE2 TYR B 17 77.837 9.110 -12.967 1.00 0.00 C ATOM 1718 CZ TYR B 17 76.546 8.785 -13.397 1.00 0.00 C ATOM 1719 OH TYR B 17 75.680 9.782 -13.795 1.00 0.00 O ATOM 0 H TYR B 17 78.554 3.595 -13.364 1.00 0.00 H new ATOM 0 HA TYR B 17 80.145 5.911 -14.111 1.00 0.00 H new ATOM 0 HB2 TYR B 17 78.718 4.869 -11.663 1.00 0.00 H new ATOM 0 HB3 TYR B 17 79.965 6.076 -11.413 1.00 0.00 H new ATOM 0 HD1 TYR B 17 76.694 5.404 -13.041 1.00 0.00 H new ATOM 0 HD2 TYR B 17 79.713 8.351 -12.233 1.00 0.00 H new ATOM 0 HE1 TYR B 17 75.139 7.197 -13.757 1.00 0.00 H new ATOM 0 HE2 TYR B 17 78.155 10.142 -12.946 1.00 0.00 H new ATOM 0 HH TYR B 17 75.073 10.001 -13.058 1.00 0.00 H new ATOM 1729 N SER B 18 81.550 3.535 -12.299 1.00 0.00 N ATOM 1730 CA SER B 18 82.882 3.048 -11.841 1.00 0.00 C ATOM 1731 C SER B 18 83.733 2.597 -13.032 1.00 0.00 C ATOM 1732 O SER B 18 84.945 2.553 -12.953 1.00 0.00 O ATOM 1733 CB SER B 18 82.683 1.866 -10.891 1.00 0.00 C ATOM 1734 OG SER B 18 83.948 1.432 -10.411 1.00 0.00 O ATOM 0 H SER B 18 80.766 2.921 -12.076 1.00 0.00 H new ATOM 0 HA SER B 18 83.397 3.862 -11.331 1.00 0.00 H new ATOM 0 HB2 SER B 18 82.045 2.158 -10.057 1.00 0.00 H new ATOM 0 HB3 SER B 18 82.178 1.050 -11.408 1.00 0.00 H new ATOM 0 HG SER B 18 83.824 0.675 -9.801 1.00 0.00 H new ATOM 1740 N GLY B 19 83.119 2.253 -14.132 1.00 0.00 N ATOM 1741 CA GLY B 19 83.902 1.797 -15.320 1.00 0.00 C ATOM 1742 C GLY B 19 84.274 2.993 -16.197 1.00 0.00 C ATOM 1743 O GLY B 19 84.595 2.843 -17.358 1.00 0.00 O ATOM 0 H GLY B 19 82.107 2.268 -14.261 1.00 0.00 H new ATOM 0 HA2 GLY B 19 84.805 1.281 -14.994 1.00 0.00 H new ATOM 0 HA3 GLY B 19 83.317 1.081 -15.897 1.00 0.00 H new ATOM 1747 N ARG B 20 84.258 4.179 -15.653 1.00 0.00 N ATOM 1748 CA ARG B 20 84.638 5.368 -16.465 1.00 0.00 C ATOM 1749 C ARG B 20 86.145 5.332 -16.744 1.00 0.00 C ATOM 1750 O ARG B 20 86.597 5.668 -17.820 1.00 0.00 O ATOM 1751 CB ARG B 20 84.270 6.652 -15.713 1.00 0.00 C ATOM 1752 CG ARG B 20 84.573 7.866 -16.595 1.00 0.00 C ATOM 1753 CD ARG B 20 84.207 9.150 -15.848 1.00 0.00 C ATOM 1754 NE ARG B 20 84.384 10.319 -16.755 1.00 0.00 N ATOM 1755 CZ ARG B 20 83.920 11.490 -16.412 1.00 0.00 C ATOM 1756 NH1 ARG B 20 83.273 11.633 -15.287 1.00 0.00 N ATOM 1757 NH2 ARG B 20 84.094 12.517 -17.199 1.00 0.00 N ATOM 0 H ARG B 20 83.999 4.375 -14.686 1.00 0.00 H new ATOM 0 HA ARG B 20 84.097 5.351 -17.411 1.00 0.00 H new ATOM 0 HB2 ARG B 20 83.214 6.639 -15.445 1.00 0.00 H new ATOM 0 HB3 ARG B 20 84.834 6.715 -14.783 1.00 0.00 H new ATOM 0 HG2 ARG B 20 85.629 7.878 -16.863 1.00 0.00 H new ATOM 0 HG3 ARG B 20 84.009 7.802 -17.525 1.00 0.00 H new ATOM 0 HD2 ARG B 20 83.175 9.099 -15.499 1.00 0.00 H new ATOM 0 HD3 ARG B 20 84.837 9.262 -14.965 1.00 0.00 H new ATOM 0 HE ARG B 20 84.868 10.204 -17.645 1.00 0.00 H new ATOM 0 HH11 ARG B 20 83.130 10.829 -14.675 1.00 0.00 H new ATOM 0 HH12 ARG B 20 82.911 12.548 -15.020 1.00 0.00 H new ATOM 0 HH21 ARG B 20 84.592 12.404 -18.082 1.00 0.00 H new ATOM 0 HH22 ARG B 20 83.731 13.432 -16.931 1.00 0.00 H new ATOM 1771 N GLU B 21 86.923 4.931 -15.774 1.00 0.00 N ATOM 1772 CA GLU B 21 88.402 4.878 -15.968 1.00 0.00 C ATOM 1773 C GLU B 21 89.033 4.053 -14.843 1.00 0.00 C ATOM 1774 O GLU B 21 88.440 3.847 -13.806 1.00 0.00 O ATOM 1775 CB GLU B 21 88.967 6.305 -15.949 1.00 0.00 C ATOM 1776 CG GLU B 21 90.484 6.270 -16.168 1.00 0.00 C ATOM 1777 CD GLU B 21 91.014 7.697 -16.320 1.00 0.00 C ATOM 1778 OE1 GLU B 21 90.205 8.610 -16.338 1.00 0.00 O ATOM 1779 OE2 GLU B 21 92.220 7.852 -16.412 1.00 0.00 O ATOM 0 H GLU B 21 86.597 4.637 -14.853 1.00 0.00 H new ATOM 0 HA GLU B 21 88.632 4.412 -16.926 1.00 0.00 H new ATOM 0 HB2 GLU B 21 88.493 6.903 -16.727 1.00 0.00 H new ATOM 0 HB3 GLU B 21 88.740 6.783 -14.996 1.00 0.00 H new ATOM 0 HG2 GLU B 21 90.972 5.778 -15.327 1.00 0.00 H new ATOM 0 HG3 GLU B 21 90.720 5.687 -17.058 1.00 0.00 H new ATOM 1786 N GLY B 22 90.234 3.575 -15.038 1.00 0.00 N ATOM 1787 CA GLY B 22 90.907 2.768 -13.974 1.00 0.00 C ATOM 1788 C GLY B 22 90.633 1.283 -14.200 1.00 0.00 C ATOM 1789 O GLY B 22 89.901 0.907 -15.093 1.00 0.00 O ATOM 0 H GLY B 22 90.780 3.708 -15.889 1.00 0.00 H new ATOM 0 HA2 GLY B 22 91.981 2.955 -13.987 1.00 0.00 H new ATOM 0 HA3 GLY B 22 90.543 3.069 -12.992 1.00 0.00 H new ATOM 1793 N ASP B 23 91.223 0.436 -13.400 1.00 0.00 N ATOM 1794 CA ASP B 23 91.011 -1.029 -13.565 1.00 0.00 C ATOM 1795 C ASP B 23 89.513 -1.330 -13.653 1.00 0.00 C ATOM 1796 O ASP B 23 88.900 -1.173 -14.690 1.00 0.00 O ATOM 1797 CB ASP B 23 91.606 -1.765 -12.363 1.00 0.00 C ATOM 1798 CG ASP B 23 93.132 -1.667 -12.409 1.00 0.00 C ATOM 1799 OD1 ASP B 23 93.664 -1.505 -13.496 1.00 0.00 O ATOM 1800 OD2 ASP B 23 93.744 -1.750 -11.356 1.00 0.00 O ATOM 0 H ASP B 23 91.846 0.698 -12.636 1.00 0.00 H new ATOM 0 HA ASP B 23 91.499 -1.363 -14.481 1.00 0.00 H new ATOM 0 HB2 ASP B 23 91.231 -1.332 -11.436 1.00 0.00 H new ATOM 0 HB3 ASP B 23 91.298 -2.810 -12.374 1.00 0.00 H new ATOM 1805 N LYS B 24 88.917 -1.763 -12.572 1.00 0.00 N ATOM 1806 CA LYS B 24 87.459 -2.073 -12.599 1.00 0.00 C ATOM 1807 C LYS B 24 86.970 -2.403 -11.185 1.00 0.00 C ATOM 1808 O LYS B 24 87.535 -3.243 -10.517 1.00 0.00 O ATOM 1809 CB LYS B 24 87.217 -3.288 -13.505 1.00 0.00 C ATOM 1810 CG LYS B 24 85.719 -3.595 -13.583 1.00 0.00 C ATOM 1811 CD LYS B 24 85.499 -4.807 -14.489 1.00 0.00 C ATOM 1812 CE LYS B 24 84.004 -5.117 -14.572 1.00 0.00 C ATOM 1813 NZ LYS B 24 83.803 -6.390 -15.319 1.00 0.00 N ATOM 0 H LYS B 24 89.377 -1.915 -11.674 1.00 0.00 H new ATOM 0 HA LYS B 24 86.916 -1.207 -12.979 1.00 0.00 H new ATOM 0 HB2 LYS B 24 87.608 -3.091 -14.503 1.00 0.00 H new ATOM 0 HB3 LYS B 24 87.754 -4.154 -13.117 1.00 0.00 H new ATOM 0 HG2 LYS B 24 85.324 -3.795 -12.587 1.00 0.00 H new ATOM 0 HG3 LYS B 24 85.179 -2.732 -13.973 1.00 0.00 H new ATOM 0 HD2 LYS B 24 85.896 -4.607 -15.484 1.00 0.00 H new ATOM 0 HD3 LYS B 24 86.039 -5.669 -14.098 1.00 0.00 H new ATOM 0 HE2 LYS B 24 83.583 -5.200 -13.570 1.00 0.00 H new ATOM 0 HE3 LYS B 24 83.480 -4.303 -15.072 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 82.786 -6.602 -15.376 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 84.191 -6.294 -16.279 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 84.291 -7.164 -14.824 1.00 0.00 H new ATOM 1827 N HIS B 25 85.924 -1.741 -10.738 1.00 0.00 N ATOM 1828 CA HIS B 25 85.356 -1.988 -9.370 1.00 0.00 C ATOM 1829 C HIS B 25 86.123 -1.170 -8.323 1.00 0.00 C ATOM 1830 O HIS B 25 85.821 -1.219 -7.147 1.00 0.00 O ATOM 1831 CB HIS B 25 85.440 -3.492 -9.050 1.00 0.00 C ATOM 1832 CG HIS B 25 84.329 -3.912 -8.125 1.00 0.00 C ATOM 1833 ND1 HIS B 25 84.566 -4.285 -6.810 1.00 0.00 N ATOM 1834 CD2 HIS B 25 82.976 -4.049 -8.317 1.00 0.00 C ATOM 1835 CE1 HIS B 25 83.384 -4.627 -6.266 1.00 0.00 C ATOM 1836 NE2 HIS B 25 82.386 -4.499 -7.142 1.00 0.00 N ATOM 0 H HIS B 25 85.432 -1.027 -11.275 1.00 0.00 H new ATOM 0 HA HIS B 25 84.312 -1.676 -9.347 1.00 0.00 H new ATOM 0 HB2 HIS B 25 85.385 -4.067 -9.974 1.00 0.00 H new ATOM 0 HB3 HIS B 25 86.403 -3.716 -8.592 1.00 0.00 H new ATOM 0 HD2 HIS B 25 82.452 -3.840 -9.238 1.00 0.00 H new ATOM 0 HE1 HIS B 25 83.259 -4.963 -5.247 1.00 0.00 H new ATOM 0 HE2 HIS B 25 81.397 -4.691 -6.983 1.00 0.00 H new ATOM 1845 N LYS B 26 87.102 -0.407 -8.744 1.00 0.00 N ATOM 1846 CA LYS B 26 87.886 0.438 -7.784 1.00 0.00 C ATOM 1847 C LYS B 26 87.554 1.915 -8.021 1.00 0.00 C ATOM 1848 O LYS B 26 87.777 2.436 -9.095 1.00 0.00 O ATOM 1849 CB LYS B 26 89.378 0.209 -8.028 1.00 0.00 C ATOM 1850 CG LYS B 26 89.750 -1.207 -7.587 1.00 0.00 C ATOM 1851 CD LYS B 26 91.241 -1.447 -7.827 1.00 0.00 C ATOM 1852 CE LYS B 26 91.604 -2.865 -7.383 1.00 0.00 C ATOM 1853 NZ LYS B 26 90.990 -3.849 -8.320 1.00 0.00 N ATOM 0 H LYS B 26 87.395 -0.332 -9.718 1.00 0.00 H new ATOM 0 HA LYS B 26 87.632 0.168 -6.759 1.00 0.00 H new ATOM 0 HB2 LYS B 26 89.611 0.347 -9.084 1.00 0.00 H new ATOM 0 HB3 LYS B 26 89.966 0.941 -7.474 1.00 0.00 H new ATOM 0 HG2 LYS B 26 89.515 -1.343 -6.531 1.00 0.00 H new ATOM 0 HG3 LYS B 26 89.160 -1.937 -8.141 1.00 0.00 H new ATOM 0 HD2 LYS B 26 91.477 -1.313 -8.883 1.00 0.00 H new ATOM 0 HD3 LYS B 26 91.832 -0.718 -7.273 1.00 0.00 H new ATOM 0 HE2 LYS B 26 92.687 -2.987 -7.368 1.00 0.00 H new ATOM 0 HE3 LYS B 26 91.249 -3.042 -6.368 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 91.454 -4.773 -8.206 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 89.976 -3.942 -8.110 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 91.112 -3.519 -9.299 1.00 0.00 H new ATOM 1867 N LEU B 27 87.022 2.602 -7.034 1.00 0.00 N ATOM 1868 CA LEU B 27 86.683 4.051 -7.231 1.00 0.00 C ATOM 1869 C LEU B 27 87.828 4.919 -6.697 1.00 0.00 C ATOM 1870 O LEU B 27 88.189 4.855 -5.538 1.00 0.00 O ATOM 1871 CB LEU B 27 85.382 4.382 -6.484 1.00 0.00 C ATOM 1872 CG LEU B 27 84.172 3.962 -7.328 1.00 0.00 C ATOM 1873 CD1 LEU B 27 84.153 2.440 -7.476 1.00 0.00 C ATOM 1874 CD2 LEU B 27 82.884 4.421 -6.637 1.00 0.00 C ATOM 0 H LEU B 27 86.810 2.227 -6.110 1.00 0.00 H new ATOM 0 HA LEU B 27 86.544 4.253 -8.293 1.00 0.00 H new ATOM 0 HB2 LEU B 27 85.363 3.866 -5.524 1.00 0.00 H new ATOM 0 HB3 LEU B 27 85.336 5.450 -6.273 1.00 0.00 H new ATOM 0 HG LEU B 27 84.242 4.422 -8.314 1.00 0.00 H new ATOM 0 HD11 LEU B 27 83.293 2.143 -8.076 1.00 0.00 H new ATOM 0 HD12 LEU B 27 85.069 2.111 -7.967 1.00 0.00 H new ATOM 0 HD13 LEU B 27 84.084 1.979 -6.490 1.00 0.00 H new ATOM 0 HD21 LEU B 27 82.024 4.123 -7.236 1.00 0.00 H new ATOM 0 HD22 LEU B 27 82.816 3.961 -5.651 1.00 0.00 H new ATOM 0 HD23 LEU B 27 82.894 5.506 -6.532 1.00 0.00 H new ATOM 1886 N LYS B 28 88.405 5.724 -7.553 1.00 0.00 N ATOM 1887 CA LYS B 28 89.539 6.603 -7.139 1.00 0.00 C ATOM 1888 C LYS B 28 89.014 7.969 -6.683 1.00 0.00 C ATOM 1889 O LYS B 28 87.896 8.347 -6.969 1.00 0.00 O ATOM 1890 CB LYS B 28 90.488 6.795 -8.324 1.00 0.00 C ATOM 1891 CG LYS B 28 91.137 5.455 -8.676 1.00 0.00 C ATOM 1892 CD LYS B 28 92.088 5.636 -9.862 1.00 0.00 C ATOM 1893 CE LYS B 28 92.733 4.291 -10.206 1.00 0.00 C ATOM 1894 NZ LYS B 28 93.427 4.389 -11.522 1.00 0.00 N ATOM 0 H LYS B 28 88.135 5.810 -8.533 1.00 0.00 H new ATOM 0 HA LYS B 28 90.068 6.133 -6.310 1.00 0.00 H new ATOM 0 HB2 LYS B 28 89.941 7.184 -9.183 1.00 0.00 H new ATOM 0 HB3 LYS B 28 91.255 7.529 -8.075 1.00 0.00 H new ATOM 0 HG2 LYS B 28 91.683 5.068 -7.816 1.00 0.00 H new ATOM 0 HG3 LYS B 28 90.369 4.722 -8.922 1.00 0.00 H new ATOM 0 HD2 LYS B 28 91.543 6.022 -10.724 1.00 0.00 H new ATOM 0 HD3 LYS B 28 92.857 6.369 -9.617 1.00 0.00 H new ATOM 0 HE2 LYS B 28 93.444 4.008 -9.429 1.00 0.00 H new ATOM 0 HE3 LYS B 28 91.973 3.511 -10.242 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 93.864 3.474 -11.753 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 92.738 4.640 -12.260 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 94.163 5.122 -11.472 1.00 0.00 H new ATOM 1908 N LYS B 29 89.823 8.704 -5.969 1.00 0.00 N ATOM 1909 CA LYS B 29 89.399 10.047 -5.473 1.00 0.00 C ATOM 1910 C LYS B 29 88.869 10.882 -6.645 1.00 0.00 C ATOM 1911 O LYS B 29 87.813 11.477 -6.566 1.00 0.00 O ATOM 1912 CB LYS B 29 90.628 10.733 -4.862 1.00 0.00 C ATOM 1913 CG LYS B 29 90.272 12.122 -4.328 1.00 0.00 C ATOM 1914 CD LYS B 29 91.534 12.761 -3.733 1.00 0.00 C ATOM 1915 CE LYS B 29 91.221 14.163 -3.194 1.00 0.00 C ATOM 1916 NZ LYS B 29 90.731 14.053 -1.793 1.00 0.00 N ATOM 0 H LYS B 29 90.769 8.429 -5.705 1.00 0.00 H new ATOM 0 HA LYS B 29 88.610 9.949 -4.728 1.00 0.00 H new ATOM 0 HB2 LYS B 29 91.027 10.120 -4.054 1.00 0.00 H new ATOM 0 HB3 LYS B 29 91.412 10.819 -5.614 1.00 0.00 H new ATOM 0 HG2 LYS B 29 89.876 12.745 -5.130 1.00 0.00 H new ATOM 0 HG3 LYS B 29 89.493 12.046 -3.569 1.00 0.00 H new ATOM 0 HD2 LYS B 29 91.923 12.134 -2.930 1.00 0.00 H new ATOM 0 HD3 LYS B 29 92.312 12.822 -4.494 1.00 0.00 H new ATOM 0 HE2 LYS B 29 92.114 14.787 -3.231 1.00 0.00 H new ATOM 0 HE3 LYS B 29 90.469 14.645 -3.818 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 90.375 14.977 -1.476 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 89.964 13.352 -1.748 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 91.511 13.752 -1.175 1.00 0.00 H new ATOM 1930 N SER B 30 89.586 10.923 -7.731 1.00 0.00 N ATOM 1931 CA SER B 30 89.123 11.708 -8.916 1.00 0.00 C ATOM 1932 C SER B 30 87.771 11.168 -9.397 1.00 0.00 C ATOM 1933 O SER B 30 86.881 11.910 -9.759 1.00 0.00 O ATOM 1934 CB SER B 30 90.149 11.582 -10.040 1.00 0.00 C ATOM 1935 OG SER B 30 91.381 12.149 -9.615 1.00 0.00 O ATOM 0 H SER B 30 90.479 10.445 -7.853 1.00 0.00 H new ATOM 0 HA SER B 30 89.014 12.756 -8.635 1.00 0.00 H new ATOM 0 HB2 SER B 30 90.289 10.534 -10.304 1.00 0.00 H new ATOM 0 HB3 SER B 30 89.790 12.091 -10.935 1.00 0.00 H new ATOM 0 HG SER B 30 92.043 12.069 -10.333 1.00 0.00 H new ATOM 1941 N GLU B 31 87.620 9.876 -9.384 1.00 0.00 N ATOM 1942 CA GLU B 31 86.333 9.261 -9.822 1.00 0.00 C ATOM 1943 C GLU B 31 85.256 9.587 -8.785 1.00 0.00 C ATOM 1944 O GLU B 31 84.123 9.884 -9.107 1.00 0.00 O ATOM 1945 CB GLU B 31 86.509 7.748 -9.931 1.00 0.00 C ATOM 1946 CG GLU B 31 87.417 7.438 -11.120 1.00 0.00 C ATOM 1947 CD GLU B 31 87.613 5.928 -11.238 1.00 0.00 C ATOM 1948 OE1 GLU B 31 87.131 5.217 -10.372 1.00 0.00 O ATOM 1949 OE2 GLU B 31 88.242 5.510 -12.191 1.00 0.00 O ATOM 0 H GLU B 31 88.336 9.213 -9.087 1.00 0.00 H new ATOM 0 HA GLU B 31 86.037 9.656 -10.794 1.00 0.00 H new ATOM 0 HB2 GLU B 31 86.943 7.352 -9.013 1.00 0.00 H new ATOM 0 HB3 GLU B 31 85.541 7.265 -10.060 1.00 0.00 H new ATOM 0 HG2 GLU B 31 86.978 7.830 -12.037 1.00 0.00 H new ATOM 0 HG3 GLU B 31 88.381 7.931 -10.992 1.00 0.00 H new ATOM 1956 N LEU B 32 85.626 9.539 -7.539 1.00 0.00 N ATOM 1957 CA LEU B 32 84.663 9.849 -6.444 1.00 0.00 C ATOM 1958 C LEU B 32 84.139 11.279 -6.600 1.00 0.00 C ATOM 1959 O LEU B 32 82.951 11.528 -6.536 1.00 0.00 O ATOM 1960 CB LEU B 32 85.378 9.703 -5.097 1.00 0.00 C ATOM 1961 CG LEU B 32 84.421 10.036 -3.942 1.00 0.00 C ATOM 1962 CD1 LEU B 32 83.204 9.093 -3.966 1.00 0.00 C ATOM 1963 CD2 LEU B 32 85.176 9.873 -2.618 1.00 0.00 C ATOM 0 H LEU B 32 86.566 9.295 -7.226 1.00 0.00 H new ATOM 0 HA LEU B 32 83.820 9.159 -6.491 1.00 0.00 H new ATOM 0 HB2 LEU B 32 85.752 8.685 -4.985 1.00 0.00 H new ATOM 0 HB3 LEU B 32 86.243 10.366 -5.064 1.00 0.00 H new ATOM 0 HG LEU B 32 84.065 11.061 -4.048 1.00 0.00 H new ATOM 0 HD11 LEU B 32 82.535 9.341 -3.142 1.00 0.00 H new ATOM 0 HD12 LEU B 32 82.673 9.208 -4.911 1.00 0.00 H new ATOM 0 HD13 LEU B 32 83.541 8.062 -3.862 1.00 0.00 H new ATOM 0 HD21 LEU B 32 84.509 10.106 -1.788 1.00 0.00 H new ATOM 0 HD22 LEU B 32 85.527 8.846 -2.524 1.00 0.00 H new ATOM 0 HD23 LEU B 32 86.029 10.551 -2.600 1.00 0.00 H new ATOM 1975 N LYS B 33 85.019 12.220 -6.791 1.00 0.00 N ATOM 1976 CA LYS B 33 84.586 13.642 -6.936 1.00 0.00 C ATOM 1977 C LYS B 33 83.653 13.797 -8.141 1.00 0.00 C ATOM 1978 O LYS B 33 82.682 14.528 -8.095 1.00 0.00 O ATOM 1979 CB LYS B 33 85.822 14.524 -7.139 1.00 0.00 C ATOM 1980 CG LYS B 33 85.399 15.993 -7.212 1.00 0.00 C ATOM 1981 CD LYS B 33 86.631 16.874 -7.415 1.00 0.00 C ATOM 1982 CE LYS B 33 86.191 18.337 -7.482 1.00 0.00 C ATOM 1983 NZ LYS B 33 85.575 18.722 -6.182 1.00 0.00 N ATOM 0 H LYS B 33 86.026 12.067 -6.854 1.00 0.00 H new ATOM 0 HA LYS B 33 84.052 13.944 -6.035 1.00 0.00 H new ATOM 0 HB2 LYS B 33 86.524 14.378 -6.318 1.00 0.00 H new ATOM 0 HB3 LYS B 33 86.339 14.238 -8.055 1.00 0.00 H new ATOM 0 HG2 LYS B 33 84.696 16.139 -8.033 1.00 0.00 H new ATOM 0 HG3 LYS B 33 84.883 16.279 -6.296 1.00 0.00 H new ATOM 0 HD2 LYS B 33 87.336 16.730 -6.596 1.00 0.00 H new ATOM 0 HD3 LYS B 33 87.147 16.594 -8.333 1.00 0.00 H new ATOM 0 HE2 LYS B 33 87.047 18.977 -7.697 1.00 0.00 H new ATOM 0 HE3 LYS B 33 85.476 18.478 -8.293 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 85.954 19.641 -5.877 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 84.543 18.792 -6.294 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 85.797 18.001 -5.466 1.00 0.00 H new ATOM 1997 N GLU B 34 83.946 13.131 -9.219 1.00 0.00 N ATOM 1998 CA GLU B 34 83.083 13.260 -10.429 1.00 0.00 C ATOM 1999 C GLU B 34 81.657 12.816 -10.111 1.00 0.00 C ATOM 2000 O GLU B 34 80.698 13.468 -10.471 1.00 0.00 O ATOM 2001 CB GLU B 34 83.650 12.390 -11.554 1.00 0.00 C ATOM 2002 CG GLU B 34 84.948 13.009 -12.076 1.00 0.00 C ATOM 2003 CD GLU B 34 84.625 14.292 -12.846 1.00 0.00 C ATOM 2004 OE1 GLU B 34 83.580 14.334 -13.473 1.00 0.00 O ATOM 2005 OE2 GLU B 34 85.428 15.209 -12.794 1.00 0.00 O ATOM 0 H GLU B 34 84.744 12.503 -9.318 1.00 0.00 H new ATOM 0 HA GLU B 34 83.066 14.304 -10.743 1.00 0.00 H new ATOM 0 HB2 GLU B 34 83.838 11.381 -11.188 1.00 0.00 H new ATOM 0 HB3 GLU B 34 82.924 12.305 -12.363 1.00 0.00 H new ATOM 0 HG2 GLU B 34 85.619 13.229 -11.245 1.00 0.00 H new ATOM 0 HG3 GLU B 34 85.466 12.303 -12.725 1.00 0.00 H new ATOM 2012 N LEU B 35 81.509 11.710 -9.447 1.00 0.00 N ATOM 2013 CA LEU B 35 80.145 11.215 -9.111 1.00 0.00 C ATOM 2014 C LEU B 35 79.399 12.243 -8.254 1.00 0.00 C ATOM 2015 O LEU B 35 78.265 12.589 -8.522 1.00 0.00 O ATOM 2016 CB LEU B 35 80.277 9.896 -8.343 1.00 0.00 C ATOM 2017 CG LEU B 35 78.892 9.344 -7.972 1.00 0.00 C ATOM 2018 CD1 LEU B 35 78.063 9.089 -9.242 1.00 0.00 C ATOM 2019 CD2 LEU B 35 79.079 8.028 -7.210 1.00 0.00 C ATOM 0 H LEU B 35 82.276 11.122 -9.119 1.00 0.00 H new ATOM 0 HA LEU B 35 79.579 11.059 -10.029 1.00 0.00 H new ATOM 0 HB2 LEU B 35 80.814 9.167 -8.951 1.00 0.00 H new ATOM 0 HB3 LEU B 35 80.866 10.053 -7.439 1.00 0.00 H new ATOM 0 HG LEU B 35 78.365 10.068 -7.352 1.00 0.00 H new ATOM 0 HD11 LEU B 35 77.084 8.698 -8.965 1.00 0.00 H new ATOM 0 HD12 LEU B 35 77.939 10.023 -9.789 1.00 0.00 H new ATOM 0 HD13 LEU B 35 78.578 8.364 -9.873 1.00 0.00 H new ATOM 0 HD21 LEU B 35 78.104 7.623 -6.939 1.00 0.00 H new ATOM 0 HD22 LEU B 35 79.606 7.313 -7.842 1.00 0.00 H new ATOM 0 HD23 LEU B 35 79.660 8.210 -6.306 1.00 0.00 H new ATOM 2031 N ILE B 36 80.025 12.719 -7.215 1.00 0.00 N ATOM 2032 CA ILE B 36 79.361 13.708 -6.319 1.00 0.00 C ATOM 2033 C ILE B 36 78.983 14.965 -7.103 1.00 0.00 C ATOM 2034 O ILE B 36 77.883 15.471 -6.992 1.00 0.00 O ATOM 2035 CB ILE B 36 80.333 14.069 -5.192 1.00 0.00 C ATOM 2036 CG1 ILE B 36 80.532 12.843 -4.297 1.00 0.00 C ATOM 2037 CG2 ILE B 36 79.771 15.226 -4.359 1.00 0.00 C ATOM 2038 CD1 ILE B 36 81.681 13.098 -3.322 1.00 0.00 C ATOM 0 H ILE B 36 80.975 12.464 -6.945 1.00 0.00 H new ATOM 0 HA ILE B 36 78.450 13.276 -5.905 1.00 0.00 H new ATOM 0 HB ILE B 36 81.286 14.377 -5.621 1.00 0.00 H new ATOM 0 HG12 ILE B 36 79.616 12.630 -3.747 1.00 0.00 H new ATOM 0 HG13 ILE B 36 80.748 11.966 -4.908 1.00 0.00 H new ATOM 0 HG21 ILE B 36 80.471 15.473 -3.561 1.00 0.00 H new ATOM 0 HG22 ILE B 36 79.626 16.097 -4.998 1.00 0.00 H new ATOM 0 HG23 ILE B 36 78.816 14.931 -3.925 1.00 0.00 H new ATOM 0 HD11 ILE B 36 81.820 12.223 -2.687 1.00 0.00 H new ATOM 0 HD12 ILE B 36 82.597 13.289 -3.881 1.00 0.00 H new ATOM 0 HD13 ILE B 36 81.447 13.963 -2.702 1.00 0.00 H new ATOM 2050 N ASN B 37 79.886 15.482 -7.882 1.00 0.00 N ATOM 2051 CA ASN B 37 79.584 16.715 -8.660 1.00 0.00 C ATOM 2052 C ASN B 37 78.674 16.396 -9.850 1.00 0.00 C ATOM 2053 O ASN B 37 77.993 17.259 -10.366 1.00 0.00 O ATOM 2054 CB ASN B 37 80.891 17.308 -9.178 1.00 0.00 C ATOM 2055 CG ASN B 37 81.702 17.865 -8.007 1.00 0.00 C ATOM 2056 OD1 ASN B 37 82.874 17.576 -7.874 1.00 0.00 O ATOM 2057 ND2 ASN B 37 81.124 18.654 -7.142 1.00 0.00 N ATOM 0 H ASN B 37 80.824 15.104 -8.015 1.00 0.00 H new ATOM 0 HA ASN B 37 79.074 17.425 -8.009 1.00 0.00 H new ATOM 0 HB2 ASN B 37 81.466 16.544 -9.701 1.00 0.00 H new ATOM 0 HB3 ASN B 37 80.683 18.099 -9.898 1.00 0.00 H new ATOM 0 HD21 ASN B 37 81.657 19.027 -6.356 1.00 0.00 H new ATOM 0 HD22 ASN B 37 80.140 18.898 -7.252 1.00 0.00 H new ATOM 2064 N ASN B 38 78.671 15.173 -10.313 1.00 0.00 N ATOM 2065 CA ASN B 38 77.825 14.813 -11.493 1.00 0.00 C ATOM 2066 C ASN B 38 76.435 14.320 -11.065 1.00 0.00 C ATOM 2067 O ASN B 38 75.617 13.988 -11.900 1.00 0.00 O ATOM 2068 CB ASN B 38 78.524 13.706 -12.284 1.00 0.00 C ATOM 2069 CG ASN B 38 77.819 13.510 -13.627 1.00 0.00 C ATOM 2070 OD1 ASN B 38 76.941 14.270 -13.982 1.00 0.00 O ATOM 2071 ND2 ASN B 38 78.172 12.516 -14.397 1.00 0.00 N ATOM 0 H ASN B 38 79.219 14.405 -9.925 1.00 0.00 H new ATOM 0 HA ASN B 38 77.695 15.706 -12.104 1.00 0.00 H new ATOM 0 HB2 ASN B 38 79.570 13.966 -12.446 1.00 0.00 H new ATOM 0 HB3 ASN B 38 78.511 12.776 -11.716 1.00 0.00 H new ATOM 0 HD21 ASN B 38 77.710 12.378 -15.296 1.00 0.00 H new ATOM 0 HD22 ASN B 38 78.909 11.877 -14.099 1.00 0.00 H new ATOM 2078 N GLU B 39 76.147 14.255 -9.788 1.00 0.00 N ATOM 2079 CA GLU B 39 74.790 13.768 -9.362 1.00 0.00 C ATOM 2080 C GLU B 39 74.329 14.469 -8.081 1.00 0.00 C ATOM 2081 O GLU B 39 73.175 14.820 -7.942 1.00 0.00 O ATOM 2082 CB GLU B 39 74.832 12.256 -9.103 1.00 0.00 C ATOM 2083 CG GLU B 39 75.000 11.500 -10.424 1.00 0.00 C ATOM 2084 CD GLU B 39 75.039 9.996 -10.147 1.00 0.00 C ATOM 2085 OE1 GLU B 39 75.126 9.629 -8.986 1.00 0.00 O ATOM 2086 OE2 GLU B 39 74.981 9.235 -11.099 1.00 0.00 O ATOM 0 H GLU B 39 76.779 14.513 -9.030 1.00 0.00 H new ATOM 0 HA GLU B 39 74.090 13.995 -10.166 1.00 0.00 H new ATOM 0 HB2 GLU B 39 75.656 12.017 -8.431 1.00 0.00 H new ATOM 0 HB3 GLU B 39 73.915 11.938 -8.607 1.00 0.00 H new ATOM 0 HG2 GLU B 39 74.176 11.736 -11.098 1.00 0.00 H new ATOM 0 HG3 GLU B 39 75.918 11.813 -10.921 1.00 0.00 H new ATOM 2093 N LEU B 40 75.204 14.648 -7.132 1.00 0.00 N ATOM 2094 CA LEU B 40 74.794 15.295 -5.847 1.00 0.00 C ATOM 2095 C LEU B 40 74.973 16.815 -5.924 1.00 0.00 C ATOM 2096 O LEU B 40 74.698 17.524 -4.976 1.00 0.00 O ATOM 2097 CB LEU B 40 75.649 14.723 -4.711 1.00 0.00 C ATOM 2098 CG LEU B 40 75.117 13.343 -4.300 1.00 0.00 C ATOM 2099 CD1 LEU B 40 75.310 12.346 -5.450 1.00 0.00 C ATOM 2100 CD2 LEU B 40 75.883 12.853 -3.069 1.00 0.00 C ATOM 0 H LEU B 40 76.185 14.376 -7.187 1.00 0.00 H new ATOM 0 HA LEU B 40 73.740 15.088 -5.660 1.00 0.00 H new ATOM 0 HB2 LEU B 40 76.688 14.641 -5.032 1.00 0.00 H new ATOM 0 HB3 LEU B 40 75.632 15.398 -3.856 1.00 0.00 H new ATOM 0 HG LEU B 40 74.055 13.421 -4.067 1.00 0.00 H new ATOM 0 HD11 LEU B 40 74.930 11.369 -5.152 1.00 0.00 H new ATOM 0 HD12 LEU B 40 74.766 12.694 -6.328 1.00 0.00 H new ATOM 0 HD13 LEU B 40 76.371 12.266 -5.688 1.00 0.00 H new ATOM 0 HD21 LEU B 40 75.508 11.873 -2.774 1.00 0.00 H new ATOM 0 HD22 LEU B 40 76.944 12.779 -3.306 1.00 0.00 H new ATOM 0 HD23 LEU B 40 75.743 13.557 -2.249 1.00 0.00 H new ATOM 2112 N SER B 41 75.416 17.329 -7.036 1.00 0.00 N ATOM 2113 CA SER B 41 75.590 18.806 -7.145 1.00 0.00 C ATOM 2114 C SER B 41 74.235 19.481 -6.923 1.00 0.00 C ATOM 2115 O SER B 41 74.138 20.519 -6.299 1.00 0.00 O ATOM 2116 CB SER B 41 76.117 19.166 -8.536 1.00 0.00 C ATOM 2117 OG SER B 41 76.315 20.572 -8.612 1.00 0.00 O ATOM 0 H SER B 41 75.664 16.796 -7.870 1.00 0.00 H new ATOM 0 HA SER B 41 76.304 19.147 -6.395 1.00 0.00 H new ATOM 0 HB2 SER B 41 77.054 18.644 -8.729 1.00 0.00 H new ATOM 0 HB3 SER B 41 75.410 18.845 -9.300 1.00 0.00 H new ATOM 0 HG SER B 41 76.654 20.807 -9.501 1.00 0.00 H new ATOM 2123 N HIS B 42 73.189 18.903 -7.446 1.00 0.00 N ATOM 2124 CA HIS B 42 71.837 19.509 -7.290 1.00 0.00 C ATOM 2125 C HIS B 42 71.392 19.444 -5.824 1.00 0.00 C ATOM 2126 O HIS B 42 70.543 20.203 -5.398 1.00 0.00 O ATOM 2127 CB HIS B 42 70.840 18.737 -8.155 1.00 0.00 C ATOM 2128 CG HIS B 42 71.160 18.970 -9.605 1.00 0.00 C ATOM 2129 ND1 HIS B 42 72.003 18.128 -10.318 1.00 0.00 N ATOM 2130 CD2 HIS B 42 70.769 19.946 -10.488 1.00 0.00 C ATOM 2131 CE1 HIS B 42 72.092 18.610 -11.570 1.00 0.00 C ATOM 2132 NE2 HIS B 42 71.360 19.714 -11.725 1.00 0.00 N ATOM 0 H HIS B 42 73.213 18.033 -7.977 1.00 0.00 H new ATOM 0 HA HIS B 42 71.875 20.553 -7.602 1.00 0.00 H new ATOM 0 HB2 HIS B 42 70.889 17.673 -7.926 1.00 0.00 H new ATOM 0 HB3 HIS B 42 69.823 19.063 -7.938 1.00 0.00 H new ATOM 0 HD2 HIS B 42 70.106 20.766 -10.258 1.00 0.00 H new ATOM 0 HE1 HIS B 42 72.683 18.159 -12.353 1.00 0.00 H new ATOM 0 HE2 HIS B 42 71.256 20.271 -12.573 1.00 0.00 H new ATOM 2141 N PHE B 43 71.961 18.557 -5.043 1.00 0.00 N ATOM 2142 CA PHE B 43 71.575 18.456 -3.596 1.00 0.00 C ATOM 2143 C PHE B 43 72.661 19.108 -2.740 1.00 0.00 C ATOM 2144 O PHE B 43 72.439 19.446 -1.595 1.00 0.00 O ATOM 2145 CB PHE B 43 71.435 16.976 -3.206 1.00 0.00 C ATOM 2146 CG PHE B 43 70.088 16.455 -3.658 1.00 0.00 C ATOM 2147 CD1 PHE B 43 69.812 16.329 -5.023 1.00 0.00 C ATOM 2148 CD2 PHE B 43 69.111 16.113 -2.711 1.00 0.00 C ATOM 2149 CE1 PHE B 43 68.563 15.858 -5.444 1.00 0.00 C ATOM 2150 CE2 PHE B 43 67.862 15.644 -3.132 1.00 0.00 C ATOM 2151 CZ PHE B 43 67.588 15.515 -4.499 1.00 0.00 C ATOM 0 H PHE B 43 72.678 17.897 -5.344 1.00 0.00 H new ATOM 0 HA PHE B 43 70.625 18.965 -3.433 1.00 0.00 H new ATOM 0 HB2 PHE B 43 72.234 16.392 -3.664 1.00 0.00 H new ATOM 0 HB3 PHE B 43 71.536 16.863 -2.127 1.00 0.00 H new ATOM 0 HD1 PHE B 43 70.563 16.595 -5.752 1.00 0.00 H new ATOM 0 HD2 PHE B 43 69.323 16.212 -1.657 1.00 0.00 H new ATOM 0 HE1 PHE B 43 68.351 15.759 -6.498 1.00 0.00 H new ATOM 0 HE2 PHE B 43 67.110 15.382 -2.403 1.00 0.00 H new ATOM 0 HZ PHE B 43 66.625 15.151 -4.825 1.00 0.00 H new ATOM 2161 N LEU B 44 73.834 19.292 -3.290 1.00 0.00 N ATOM 2162 CA LEU B 44 74.941 19.929 -2.514 1.00 0.00 C ATOM 2163 C LEU B 44 75.704 20.898 -3.414 1.00 0.00 C ATOM 2164 O LEU B 44 76.031 20.586 -4.543 1.00 0.00 O ATOM 2165 CB LEU B 44 75.911 18.855 -2.009 1.00 0.00 C ATOM 2166 CG LEU B 44 75.234 17.974 -0.949 1.00 0.00 C ATOM 2167 CD1 LEU B 44 76.171 16.814 -0.598 1.00 0.00 C ATOM 2168 CD2 LEU B 44 74.934 18.793 0.323 1.00 0.00 C ATOM 0 H LEU B 44 74.074 19.028 -4.246 1.00 0.00 H new ATOM 0 HA LEU B 44 74.515 20.465 -1.666 1.00 0.00 H new ATOM 0 HB2 LEU B 44 76.246 18.238 -2.843 1.00 0.00 H new ATOM 0 HB3 LEU B 44 76.797 19.327 -1.586 1.00 0.00 H new ATOM 0 HG LEU B 44 74.294 17.593 -1.347 1.00 0.00 H new ATOM 0 HD11 LEU B 44 75.700 16.181 0.154 1.00 0.00 H new ATOM 0 HD12 LEU B 44 76.372 16.225 -1.493 1.00 0.00 H new ATOM 0 HD13 LEU B 44 77.108 17.209 -0.205 1.00 0.00 H new ATOM 0 HD21 LEU B 44 74.454 18.153 1.063 1.00 0.00 H new ATOM 0 HD22 LEU B 44 75.865 19.185 0.731 1.00 0.00 H new ATOM 0 HD23 LEU B 44 74.270 19.621 0.075 1.00 0.00 H new ATOM 2180 N GLU B 45 75.999 22.069 -2.909 1.00 0.00 N ATOM 2181 CA GLU B 45 76.758 23.080 -3.702 1.00 0.00 C ATOM 2182 C GLU B 45 77.946 23.561 -2.866 1.00 0.00 C ATOM 2183 O GLU B 45 77.864 24.556 -2.173 1.00 0.00 O ATOM 2184 CB GLU B 45 75.839 24.267 -4.018 1.00 0.00 C ATOM 2185 CG GLU B 45 76.579 25.288 -4.891 1.00 0.00 C ATOM 2186 CD GLU B 45 76.919 24.659 -6.243 1.00 0.00 C ATOM 2187 OE1 GLU B 45 76.218 23.743 -6.641 1.00 0.00 O ATOM 2188 OE2 GLU B 45 77.876 25.101 -6.857 1.00 0.00 O ATOM 0 H GLU B 45 75.742 22.370 -1.969 1.00 0.00 H new ATOM 0 HA GLU B 45 77.112 22.641 -4.634 1.00 0.00 H new ATOM 0 HB2 GLU B 45 74.944 23.917 -4.533 1.00 0.00 H new ATOM 0 HB3 GLU B 45 75.510 24.739 -3.092 1.00 0.00 H new ATOM 0 HG2 GLU B 45 75.960 26.173 -5.036 1.00 0.00 H new ATOM 0 HG3 GLU B 45 77.491 25.615 -4.391 1.00 0.00 H new ATOM 2195 N GLU B 46 79.051 22.869 -2.932 1.00 0.00 N ATOM 2196 CA GLU B 46 80.244 23.292 -2.145 1.00 0.00 C ATOM 2197 C GLU B 46 81.453 22.443 -2.555 1.00 0.00 C ATOM 2198 O GLU B 46 81.741 22.292 -3.725 1.00 0.00 O ATOM 2199 CB GLU B 46 79.970 23.118 -0.643 1.00 0.00 C ATOM 2200 CG GLU B 46 80.947 23.981 0.167 1.00 0.00 C ATOM 2201 CD GLU B 46 80.673 23.806 1.661 1.00 0.00 C ATOM 2202 OE1 GLU B 46 79.629 23.269 1.993 1.00 0.00 O ATOM 2203 OE2 GLU B 46 81.509 24.218 2.448 1.00 0.00 O ATOM 0 H GLU B 46 79.179 22.029 -3.497 1.00 0.00 H new ATOM 0 HA GLU B 46 80.454 24.342 -2.346 1.00 0.00 H new ATOM 0 HB2 GLU B 46 78.943 23.404 -0.416 1.00 0.00 H new ATOM 0 HB3 GLU B 46 80.078 22.070 -0.363 1.00 0.00 H new ATOM 0 HG2 GLU B 46 81.974 23.695 -0.060 1.00 0.00 H new ATOM 0 HG3 GLU B 46 80.839 25.029 -0.112 1.00 0.00 H new ATOM 2210 N ILE B 47 82.160 21.889 -1.595 1.00 0.00 N ATOM 2211 CA ILE B 47 83.362 21.050 -1.904 1.00 0.00 C ATOM 2212 C ILE B 47 84.147 21.693 -3.052 1.00 0.00 C ATOM 2213 O ILE B 47 84.325 21.108 -4.102 1.00 0.00 O ATOM 2214 CB ILE B 47 82.912 19.642 -2.314 1.00 0.00 C ATOM 2215 CG1 ILE B 47 81.926 19.096 -1.274 1.00 0.00 C ATOM 2216 CG2 ILE B 47 84.131 18.710 -2.389 1.00 0.00 C ATOM 2217 CD1 ILE B 47 81.382 17.747 -1.746 1.00 0.00 C ATOM 0 H ILE B 47 81.952 21.984 -0.601 1.00 0.00 H new ATOM 0 HA ILE B 47 83.998 20.983 -1.021 1.00 0.00 H new ATOM 0 HB ILE B 47 82.429 19.691 -3.290 1.00 0.00 H new ATOM 0 HG12 ILE B 47 82.423 18.983 -0.310 1.00 0.00 H new ATOM 0 HG13 ILE B 47 81.107 19.800 -1.129 1.00 0.00 H new ATOM 0 HG21 ILE B 47 83.808 17.711 -2.680 1.00 0.00 H new ATOM 0 HG22 ILE B 47 84.837 19.093 -3.126 1.00 0.00 H new ATOM 0 HG23 ILE B 47 84.615 18.665 -1.413 1.00 0.00 H new ATOM 0 HD11 ILE B 47 80.681 17.359 -1.007 1.00 0.00 H new ATOM 0 HD12 ILE B 47 80.870 17.875 -2.700 1.00 0.00 H new ATOM 0 HD13 ILE B 47 82.207 17.045 -1.868 1.00 0.00 H new ATOM 2229 N LYS B 48 84.599 22.906 -2.865 1.00 0.00 N ATOM 2230 CA LYS B 48 85.354 23.605 -3.947 1.00 0.00 C ATOM 2231 C LYS B 48 86.860 23.396 -3.762 1.00 0.00 C ATOM 2232 O LYS B 48 87.649 23.806 -4.590 1.00 0.00 O ATOM 2233 CB LYS B 48 85.039 25.103 -3.891 1.00 0.00 C ATOM 2234 CG LYS B 48 83.582 25.333 -4.303 1.00 0.00 C ATOM 2235 CD LYS B 48 83.269 26.836 -4.308 1.00 0.00 C ATOM 2236 CE LYS B 48 83.233 27.381 -2.874 1.00 0.00 C ATOM 2237 NZ LYS B 48 82.478 28.666 -2.858 1.00 0.00 N ATOM 0 H LYS B 48 84.477 23.444 -2.007 1.00 0.00 H new ATOM 0 HA LYS B 48 85.056 23.196 -4.913 1.00 0.00 H new ATOM 0 HB2 LYS B 48 85.208 25.484 -2.884 1.00 0.00 H new ATOM 0 HB3 LYS B 48 85.707 25.651 -4.555 1.00 0.00 H new ATOM 0 HG2 LYS B 48 83.405 24.913 -5.293 1.00 0.00 H new ATOM 0 HG3 LYS B 48 82.914 24.816 -3.613 1.00 0.00 H new ATOM 0 HD2 LYS B 48 84.023 27.369 -4.887 1.00 0.00 H new ATOM 0 HD3 LYS B 48 82.310 27.012 -4.795 1.00 0.00 H new ATOM 0 HE2 LYS B 48 82.759 26.659 -2.209 1.00 0.00 H new ATOM 0 HE3 LYS B 48 84.247 27.536 -2.505 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 82.450 29.040 -1.888 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 82.949 29.353 -3.481 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 81.507 28.503 -3.194 1.00 0.00 H new ATOM 2251 N GLU B 49 87.266 22.770 -2.681 1.00 0.00 N ATOM 2252 CA GLU B 49 88.730 22.538 -2.433 1.00 0.00 C ATOM 2253 C GLU B 49 89.013 21.033 -2.332 1.00 0.00 C ATOM 2254 O GLU B 49 88.287 20.292 -1.702 1.00 0.00 O ATOM 2255 CB GLU B 49 89.130 23.228 -1.130 1.00 0.00 C ATOM 2256 CG GLU B 49 88.939 24.739 -1.279 1.00 0.00 C ATOM 2257 CD GLU B 49 89.988 25.295 -2.244 1.00 0.00 C ATOM 2258 OE1 GLU B 49 91.047 24.697 -2.345 1.00 0.00 O ATOM 2259 OE2 GLU B 49 89.715 26.309 -2.866 1.00 0.00 O ATOM 0 H GLU B 49 86.646 22.408 -1.957 1.00 0.00 H new ATOM 0 HA GLU B 49 89.309 22.949 -3.260 1.00 0.00 H new ATOM 0 HB2 GLU B 49 88.524 22.853 -0.305 1.00 0.00 H new ATOM 0 HB3 GLU B 49 90.169 23.003 -0.890 1.00 0.00 H new ATOM 0 HG2 GLU B 49 87.937 24.954 -1.651 1.00 0.00 H new ATOM 0 HG3 GLU B 49 89.030 25.225 -0.308 1.00 0.00 H new ATOM 2266 N GLN B 50 90.068 20.584 -2.957 1.00 0.00 N ATOM 2267 CA GLN B 50 90.422 19.131 -2.918 1.00 0.00 C ATOM 2268 C GLN B 50 90.673 18.674 -1.474 1.00 0.00 C ATOM 2269 O GLN B 50 90.305 17.582 -1.086 1.00 0.00 O ATOM 2270 CB GLN B 50 91.681 18.901 -3.763 1.00 0.00 C ATOM 2271 CG GLN B 50 92.034 17.411 -3.781 1.00 0.00 C ATOM 2272 CD GLN B 50 93.266 17.193 -4.663 1.00 0.00 C ATOM 2273 OE1 GLN B 50 94.204 17.963 -4.617 1.00 0.00 O ATOM 2274 NE2 GLN B 50 93.300 16.169 -5.470 1.00 0.00 N ATOM 0 H GLN B 50 90.707 21.166 -3.499 1.00 0.00 H new ATOM 0 HA GLN B 50 89.592 18.550 -3.321 1.00 0.00 H new ATOM 0 HB2 GLN B 50 91.516 19.257 -4.780 1.00 0.00 H new ATOM 0 HB3 GLN B 50 92.513 19.475 -3.355 1.00 0.00 H new ATOM 0 HG2 GLN B 50 92.231 17.060 -2.768 1.00 0.00 H new ATOM 0 HG3 GLN B 50 91.193 16.831 -4.161 1.00 0.00 H new ATOM 0 HE21 GLN B 50 92.512 15.523 -5.508 1.00 0.00 H new ATOM 0 HE22 GLN B 50 94.115 16.014 -6.063 1.00 0.00 H new ATOM 2283 N GLU B 51 91.321 19.487 -0.684 1.00 0.00 N ATOM 2284 CA GLU B 51 91.624 19.083 0.725 1.00 0.00 C ATOM 2285 C GLU B 51 90.335 18.659 1.433 1.00 0.00 C ATOM 2286 O GLU B 51 90.344 17.813 2.307 1.00 0.00 O ATOM 2287 CB GLU B 51 92.269 20.258 1.472 1.00 0.00 C ATOM 2288 CG GLU B 51 91.234 21.360 1.725 1.00 0.00 C ATOM 2289 CD GLU B 51 91.942 22.615 2.241 1.00 0.00 C ATOM 2290 OE1 GLU B 51 93.098 22.508 2.613 1.00 0.00 O ATOM 2291 OE2 GLU B 51 91.315 23.661 2.253 1.00 0.00 O ATOM 0 H GLU B 51 91.655 20.413 -0.950 1.00 0.00 H new ATOM 0 HA GLU B 51 92.317 18.241 0.716 1.00 0.00 H new ATOM 0 HB2 GLU B 51 92.682 19.913 2.420 1.00 0.00 H new ATOM 0 HB3 GLU B 51 93.099 20.656 0.889 1.00 0.00 H new ATOM 0 HG2 GLU B 51 90.695 21.586 0.805 1.00 0.00 H new ATOM 0 HG3 GLU B 51 90.496 21.021 2.452 1.00 0.00 H new ATOM 2298 N VAL B 52 89.226 19.214 1.044 1.00 0.00 N ATOM 2299 CA VAL B 52 87.928 18.823 1.667 1.00 0.00 C ATOM 2300 C VAL B 52 87.594 17.387 1.259 1.00 0.00 C ATOM 2301 O VAL B 52 87.072 16.610 2.033 1.00 0.00 O ATOM 2302 CB VAL B 52 86.821 19.770 1.182 1.00 0.00 C ATOM 2303 CG1 VAL B 52 85.449 19.237 1.611 1.00 0.00 C ATOM 2304 CG2 VAL B 52 87.033 21.155 1.796 1.00 0.00 C ATOM 0 H VAL B 52 89.158 19.926 0.317 1.00 0.00 H new ATOM 0 HA VAL B 52 88.003 18.888 2.752 1.00 0.00 H new ATOM 0 HB VAL B 52 86.860 19.834 0.095 1.00 0.00 H new ATOM 0 HG11 VAL B 52 84.670 19.915 1.263 1.00 0.00 H new ATOM 0 HG12 VAL B 52 85.291 18.249 1.178 1.00 0.00 H new ATOM 0 HG13 VAL B 52 85.410 19.167 2.698 1.00 0.00 H new ATOM 0 HG21 VAL B 52 86.248 21.829 1.453 1.00 0.00 H new ATOM 0 HG22 VAL B 52 86.998 21.080 2.883 1.00 0.00 H new ATOM 0 HG23 VAL B 52 88.004 21.544 1.490 1.00 0.00 H new ATOM 2314 N VAL B 53 87.899 17.036 0.042 1.00 0.00 N ATOM 2315 CA VAL B 53 87.607 15.656 -0.430 1.00 0.00 C ATOM 2316 C VAL B 53 88.550 14.659 0.263 1.00 0.00 C ATOM 2317 O VAL B 53 88.151 13.578 0.645 1.00 0.00 O ATOM 2318 CB VAL B 53 87.786 15.585 -1.949 1.00 0.00 C ATOM 2319 CG1 VAL B 53 87.587 14.144 -2.419 1.00 0.00 C ATOM 2320 CG2 VAL B 53 86.750 16.488 -2.624 1.00 0.00 C ATOM 0 H VAL B 53 88.339 17.646 -0.647 1.00 0.00 H new ATOM 0 HA VAL B 53 86.578 15.397 -0.181 1.00 0.00 H new ATOM 0 HB VAL B 53 88.790 15.918 -2.214 1.00 0.00 H new ATOM 0 HG11 VAL B 53 87.714 14.093 -3.500 1.00 0.00 H new ATOM 0 HG12 VAL B 53 88.321 13.499 -1.936 1.00 0.00 H new ATOM 0 HG13 VAL B 53 86.583 13.811 -2.156 1.00 0.00 H new ATOM 0 HG21 VAL B 53 86.875 16.440 -3.706 1.00 0.00 H new ATOM 0 HG22 VAL B 53 85.747 16.153 -2.359 1.00 0.00 H new ATOM 0 HG23 VAL B 53 86.889 17.516 -2.288 1.00 0.00 H new ATOM 2330 N ASP B 54 89.801 15.012 0.413 1.00 0.00 N ATOM 2331 CA ASP B 54 90.773 14.079 1.066 1.00 0.00 C ATOM 2332 C ASP B 54 90.322 13.758 2.492 1.00 0.00 C ATOM 2333 O ASP B 54 90.361 12.623 2.924 1.00 0.00 O ATOM 2334 CB ASP B 54 92.160 14.731 1.120 1.00 0.00 C ATOM 2335 CG ASP B 54 93.165 13.751 1.735 1.00 0.00 C ATOM 2336 OD1 ASP B 54 92.730 12.773 2.322 1.00 0.00 O ATOM 2337 OD2 ASP B 54 94.353 13.994 1.606 1.00 0.00 O ATOM 0 H ASP B 54 90.193 15.905 0.112 1.00 0.00 H new ATOM 0 HA ASP B 54 90.816 13.159 0.483 1.00 0.00 H new ATOM 0 HB2 ASP B 54 92.479 15.014 0.117 1.00 0.00 H new ATOM 0 HB3 ASP B 54 92.120 15.646 1.711 1.00 0.00 H new ATOM 2342 N LYS B 55 89.897 14.745 3.227 1.00 0.00 N ATOM 2343 CA LYS B 55 89.446 14.487 4.625 1.00 0.00 C ATOM 2344 C LYS B 55 88.260 13.527 4.593 1.00 0.00 C ATOM 2345 O LYS B 55 88.142 12.630 5.405 1.00 0.00 O ATOM 2346 CB LYS B 55 89.024 15.809 5.272 1.00 0.00 C ATOM 2347 CG LYS B 55 88.797 15.602 6.772 1.00 0.00 C ATOM 2348 CD LYS B 55 88.506 16.953 7.443 1.00 0.00 C ATOM 2349 CE LYS B 55 89.741 17.874 7.364 1.00 0.00 C ATOM 2350 NZ LYS B 55 89.652 18.721 6.140 1.00 0.00 N ATOM 0 H LYS B 55 89.842 15.717 2.923 1.00 0.00 H new ATOM 0 HA LYS B 55 90.257 14.046 5.204 1.00 0.00 H new ATOM 0 HB2 LYS B 55 89.793 16.565 5.112 1.00 0.00 H new ATOM 0 HB3 LYS B 55 88.112 16.179 4.804 1.00 0.00 H new ATOM 0 HG2 LYS B 55 87.963 14.918 6.932 1.00 0.00 H new ATOM 0 HG3 LYS B 55 89.677 15.143 7.223 1.00 0.00 H new ATOM 0 HD2 LYS B 55 87.656 17.432 6.956 1.00 0.00 H new ATOM 0 HD3 LYS B 55 88.229 16.796 8.485 1.00 0.00 H new ATOM 0 HE2 LYS B 55 89.796 18.504 8.252 1.00 0.00 H new ATOM 0 HE3 LYS B 55 90.652 17.277 7.340 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 90.490 18.561 5.545 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 88.795 18.471 5.606 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 89.609 19.723 6.414 1.00 0.00 H new ATOM 2364 N VAL B 56 87.377 13.723 3.660 1.00 0.00 N ATOM 2365 CA VAL B 56 86.183 12.844 3.559 1.00 0.00 C ATOM 2366 C VAL B 56 86.612 11.423 3.167 1.00 0.00 C ATOM 2367 O VAL B 56 86.101 10.449 3.678 1.00 0.00 O ATOM 2368 CB VAL B 56 85.228 13.425 2.511 1.00 0.00 C ATOM 2369 CG1 VAL B 56 84.113 12.423 2.202 1.00 0.00 C ATOM 2370 CG2 VAL B 56 84.617 14.720 3.055 1.00 0.00 C ATOM 0 H VAL B 56 87.431 14.460 2.957 1.00 0.00 H new ATOM 0 HA VAL B 56 85.675 12.794 4.522 1.00 0.00 H new ATOM 0 HB VAL B 56 85.780 13.631 1.594 1.00 0.00 H new ATOM 0 HG11 VAL B 56 83.440 12.846 1.456 1.00 0.00 H new ATOM 0 HG12 VAL B 56 84.549 11.501 1.816 1.00 0.00 H new ATOM 0 HG13 VAL B 56 83.555 12.207 3.113 1.00 0.00 H new ATOM 0 HG21 VAL B 56 83.936 15.140 2.315 1.00 0.00 H new ATOM 0 HG22 VAL B 56 84.069 14.506 3.973 1.00 0.00 H new ATOM 0 HG23 VAL B 56 85.411 15.437 3.265 1.00 0.00 H new ATOM 2380 N MET B 57 87.547 11.293 2.266 1.00 0.00 N ATOM 2381 CA MET B 57 87.999 9.929 1.854 1.00 0.00 C ATOM 2382 C MET B 57 88.557 9.154 3.050 1.00 0.00 C ATOM 2383 O MET B 57 88.204 8.014 3.281 1.00 0.00 O ATOM 2384 CB MET B 57 89.080 10.037 0.776 1.00 0.00 C ATOM 2385 CG MET B 57 89.553 8.630 0.401 1.00 0.00 C ATOM 2386 SD MET B 57 90.547 8.697 -1.110 1.00 0.00 S ATOM 2387 CE MET B 57 89.196 8.431 -2.283 1.00 0.00 C ATOM 0 H MET B 57 88.017 12.067 1.798 1.00 0.00 H new ATOM 0 HA MET B 57 87.136 9.394 1.458 1.00 0.00 H new ATOM 0 HB2 MET B 57 88.686 10.548 -0.102 1.00 0.00 H new ATOM 0 HB3 MET B 57 89.918 10.631 1.141 1.00 0.00 H new ATOM 0 HG2 MET B 57 90.141 8.205 1.215 1.00 0.00 H new ATOM 0 HG3 MET B 57 88.694 7.975 0.253 1.00 0.00 H new ATOM 0 HE1 MET B 57 89.607 8.258 -3.278 1.00 0.00 H new ATOM 0 HE2 MET B 57 88.612 7.563 -1.975 1.00 0.00 H new ATOM 0 HE3 MET B 57 88.554 9.311 -2.304 1.00 0.00 H new ATOM 2397 N GLU B 58 89.443 9.750 3.797 1.00 0.00 N ATOM 2398 CA GLU B 58 90.041 9.032 4.962 1.00 0.00 C ATOM 2399 C GLU B 58 88.949 8.630 5.955 1.00 0.00 C ATOM 2400 O GLU B 58 88.950 7.536 6.483 1.00 0.00 O ATOM 2401 CB GLU B 58 91.051 9.946 5.656 1.00 0.00 C ATOM 2402 CG GLU B 58 92.276 10.124 4.758 1.00 0.00 C ATOM 2403 CD GLU B 58 93.290 11.038 5.449 1.00 0.00 C ATOM 2404 OE1 GLU B 58 93.146 12.244 5.330 1.00 0.00 O ATOM 2405 OE2 GLU B 58 94.193 10.517 6.082 1.00 0.00 O ATOM 0 H GLU B 58 89.780 10.702 3.654 1.00 0.00 H new ATOM 0 HA GLU B 58 90.542 8.132 4.606 1.00 0.00 H new ATOM 0 HB2 GLU B 58 90.597 10.914 5.867 1.00 0.00 H new ATOM 0 HB3 GLU B 58 91.347 9.518 6.614 1.00 0.00 H new ATOM 0 HG2 GLU B 58 92.729 9.155 4.547 1.00 0.00 H new ATOM 0 HG3 GLU B 58 91.979 10.552 3.801 1.00 0.00 H new ATOM 2412 N THR B 59 88.018 9.501 6.207 1.00 0.00 N ATOM 2413 CA THR B 59 86.923 9.167 7.161 1.00 0.00 C ATOM 2414 C THR B 59 85.999 8.113 6.547 1.00 0.00 C ATOM 2415 O THR B 59 85.536 7.210 7.215 1.00 0.00 O ATOM 2416 CB THR B 59 86.122 10.436 7.472 1.00 0.00 C ATOM 2417 OG1 THR B 59 86.983 11.405 8.054 1.00 0.00 O ATOM 2418 CG2 THR B 59 84.982 10.112 8.440 1.00 0.00 C ATOM 0 H THR B 59 87.965 10.432 5.794 1.00 0.00 H new ATOM 0 HA THR B 59 87.352 8.769 8.080 1.00 0.00 H new ATOM 0 HB THR B 59 85.700 10.830 6.548 1.00 0.00 H new ATOM 0 HG1 THR B 59 87.446 11.899 7.345 1.00 0.00 H new ATOM 0 HG21 THR B 59 84.418 11.020 8.655 1.00 0.00 H new ATOM 0 HG22 THR B 59 84.320 9.373 7.989 1.00 0.00 H new ATOM 0 HG23 THR B 59 85.394 9.713 9.367 1.00 0.00 H new ATOM 2426 N LEU B 60 85.720 8.233 5.281 1.00 0.00 N ATOM 2427 CA LEU B 60 84.816 7.251 4.615 1.00 0.00 C ATOM 2428 C LEU B 60 85.517 5.893 4.467 1.00 0.00 C ATOM 2429 O LEU B 60 84.912 4.856 4.648 1.00 0.00 O ATOM 2430 CB LEU B 60 84.406 7.796 3.229 1.00 0.00 C ATOM 2431 CG LEU B 60 83.123 8.662 3.304 1.00 0.00 C ATOM 2432 CD1 LEU B 60 81.879 7.760 3.306 1.00 0.00 C ATOM 2433 CD2 LEU B 60 83.119 9.560 4.558 1.00 0.00 C ATOM 0 H LEU B 60 86.079 8.971 4.675 1.00 0.00 H new ATOM 0 HA LEU B 60 83.925 7.109 5.227 1.00 0.00 H new ATOM 0 HB2 LEU B 60 85.221 8.391 2.817 1.00 0.00 H new ATOM 0 HB3 LEU B 60 84.242 6.963 2.545 1.00 0.00 H new ATOM 0 HG LEU B 60 83.105 9.308 2.426 1.00 0.00 H new ATOM 0 HD11 LEU B 60 80.982 8.377 3.359 1.00 0.00 H new ATOM 0 HD12 LEU B 60 81.858 7.167 2.392 1.00 0.00 H new ATOM 0 HD13 LEU B 60 81.913 7.095 4.169 1.00 0.00 H new ATOM 0 HD21 LEU B 60 82.205 10.153 4.578 1.00 0.00 H new ATOM 0 HD22 LEU B 60 83.167 8.937 5.451 1.00 0.00 H new ATOM 0 HD23 LEU B 60 83.982 10.225 4.532 1.00 0.00 H new ATOM 2445 N ASP B 61 86.774 5.880 4.112 1.00 0.00 N ATOM 2446 CA ASP B 61 87.478 4.577 3.927 1.00 0.00 C ATOM 2447 C ASP B 61 87.676 3.876 5.270 1.00 0.00 C ATOM 2448 O ASP B 61 88.561 4.207 6.035 1.00 0.00 O ATOM 2449 CB ASP B 61 88.843 4.818 3.279 1.00 0.00 C ATOM 2450 CG ASP B 61 88.650 5.255 1.827 1.00 0.00 C ATOM 2451 OD1 ASP B 61 87.569 5.040 1.302 1.00 0.00 O ATOM 2452 OD2 ASP B 61 89.586 5.799 1.263 1.00 0.00 O ATOM 0 H ASP B 61 87.342 6.710 3.943 1.00 0.00 H new ATOM 0 HA ASP B 61 86.868 3.943 3.284 1.00 0.00 H new ATOM 0 HB2 ASP B 61 89.389 5.584 3.830 1.00 0.00 H new ATOM 0 HB3 ASP B 61 89.442 3.908 3.319 1.00 0.00 H new ATOM 2457 N GLU B 62 86.864 2.895 5.554 1.00 0.00 N ATOM 2458 CA GLU B 62 87.011 2.158 6.837 1.00 0.00 C ATOM 2459 C GLU B 62 88.390 1.498 6.884 1.00 0.00 C ATOM 2460 O GLU B 62 89.041 1.471 7.909 1.00 0.00 O ATOM 2461 CB GLU B 62 85.925 1.080 6.941 1.00 0.00 C ATOM 2462 CG GLU B 62 86.046 0.340 8.284 1.00 0.00 C ATOM 2463 CD GLU B 62 87.167 -0.705 8.217 1.00 0.00 C ATOM 2464 OE1 GLU B 62 87.466 -1.164 7.128 1.00 0.00 O ATOM 2465 OE2 GLU B 62 87.707 -1.029 9.262 1.00 0.00 O ATOM 0 H GLU B 62 86.106 2.573 4.952 1.00 0.00 H new ATOM 0 HA GLU B 62 86.908 2.854 7.670 1.00 0.00 H new ATOM 0 HB2 GLU B 62 84.939 1.536 6.855 1.00 0.00 H new ATOM 0 HB3 GLU B 62 86.022 0.373 6.117 1.00 0.00 H new ATOM 0 HG2 GLU B 62 86.251 1.053 9.083 1.00 0.00 H new ATOM 0 HG3 GLU B 62 85.101 -0.146 8.526 1.00 0.00 H new ATOM 2472 N ASP B 63 88.832 0.947 5.783 1.00 0.00 N ATOM 2473 CA ASP B 63 90.161 0.267 5.766 1.00 0.00 C ATOM 2474 C ASP B 63 91.273 1.270 5.444 1.00 0.00 C ATOM 2475 O ASP B 63 92.441 0.988 5.633 1.00 0.00 O ATOM 2476 CB ASP B 63 90.145 -0.842 4.710 1.00 0.00 C ATOM 2477 CG ASP B 63 89.868 -0.240 3.330 1.00 0.00 C ATOM 2478 OD1 ASP B 63 89.524 0.928 3.273 1.00 0.00 O ATOM 2479 OD2 ASP B 63 89.997 -0.962 2.356 1.00 0.00 O ATOM 0 H ASP B 63 88.330 0.939 4.895 1.00 0.00 H new ATOM 0 HA ASP B 63 90.354 -0.161 6.750 1.00 0.00 H new ATOM 0 HB2 ASP B 63 91.102 -1.364 4.704 1.00 0.00 H new ATOM 0 HB3 ASP B 63 89.381 -1.579 4.955 1.00 0.00 H new ATOM 2484 N GLY B 64 90.935 2.439 4.965 1.00 0.00 N ATOM 2485 CA GLY B 64 91.993 3.445 4.645 1.00 0.00 C ATOM 2486 C GLY B 64 92.798 2.994 3.422 1.00 0.00 C ATOM 2487 O GLY B 64 93.968 3.292 3.293 1.00 0.00 O ATOM 0 H GLY B 64 89.978 2.740 4.782 1.00 0.00 H new ATOM 0 HA2 GLY B 64 91.536 4.415 4.451 1.00 0.00 H new ATOM 0 HA3 GLY B 64 92.657 3.570 5.500 1.00 0.00 H new ATOM 2491 N ASP B 65 92.184 2.269 2.527 1.00 0.00 N ATOM 2492 CA ASP B 65 92.919 1.791 1.318 1.00 0.00 C ATOM 2493 C ASP B 65 93.131 2.947 0.338 1.00 0.00 C ATOM 2494 O ASP B 65 93.767 2.791 -0.685 1.00 0.00 O ATOM 2495 CB ASP B 65 92.097 0.701 0.633 1.00 0.00 C ATOM 2496 CG ASP B 65 90.755 1.286 0.189 1.00 0.00 C ATOM 2497 OD1 ASP B 65 90.392 2.334 0.698 1.00 0.00 O ATOM 2498 OD2 ASP B 65 90.114 0.678 -0.653 1.00 0.00 O ATOM 0 H ASP B 65 91.205 1.986 2.579 1.00 0.00 H new ATOM 0 HA ASP B 65 93.889 1.397 1.622 1.00 0.00 H new ATOM 0 HB2 ASP B 65 92.638 0.308 -0.228 1.00 0.00 H new ATOM 0 HB3 ASP B 65 91.935 -0.133 1.316 1.00 0.00 H new ATOM 2503 N GLY B 66 92.623 4.107 0.643 1.00 0.00 N ATOM 2504 CA GLY B 66 92.820 5.267 -0.274 1.00 0.00 C ATOM 2505 C GLY B 66 91.834 5.192 -1.440 1.00 0.00 C ATOM 2506 O GLY B 66 91.881 5.993 -2.352 1.00 0.00 O ATOM 0 H GLY B 66 92.081 4.304 1.484 1.00 0.00 H new ATOM 0 HA2 GLY B 66 92.678 6.200 0.272 1.00 0.00 H new ATOM 0 HA3 GLY B 66 93.842 5.271 -0.652 1.00 0.00 H new ATOM 2510 N GLU B 67 90.937 4.241 -1.422 1.00 0.00 N ATOM 2511 CA GLU B 67 89.940 4.113 -2.527 1.00 0.00 C ATOM 2512 C GLU B 67 88.589 3.743 -1.913 1.00 0.00 C ATOM 2513 O GLU B 67 88.529 3.248 -0.804 1.00 0.00 O ATOM 2514 CB GLU B 67 90.385 3.006 -3.489 1.00 0.00 C ATOM 2515 CG GLU B 67 91.672 3.433 -4.199 1.00 0.00 C ATOM 2516 CD GLU B 67 92.120 2.326 -5.155 1.00 0.00 C ATOM 2517 OE1 GLU B 67 91.415 1.336 -5.256 1.00 0.00 O ATOM 2518 OE2 GLU B 67 93.161 2.487 -5.771 1.00 0.00 O ATOM 0 H GLU B 67 90.852 3.542 -0.684 1.00 0.00 H new ATOM 0 HA GLU B 67 89.860 5.052 -3.076 1.00 0.00 H new ATOM 0 HB2 GLU B 67 90.550 2.078 -2.941 1.00 0.00 H new ATOM 0 HB3 GLU B 67 89.602 2.809 -4.221 1.00 0.00 H new ATOM 0 HG2 GLU B 67 91.506 4.359 -4.750 1.00 0.00 H new ATOM 0 HG3 GLU B 67 92.454 3.634 -3.467 1.00 0.00 H new ATOM 2525 N CYS B 68 87.501 3.963 -2.612 1.00 0.00 N ATOM 2526 CA CYS B 68 86.159 3.608 -2.050 1.00 0.00 C ATOM 2527 C CYS B 68 85.678 2.296 -2.676 1.00 0.00 C ATOM 2528 O CYS B 68 85.318 2.242 -3.839 1.00 0.00 O ATOM 2529 CB CYS B 68 85.162 4.721 -2.382 1.00 0.00 C ATOM 2530 SG CYS B 68 83.519 4.259 -1.780 1.00 0.00 S ATOM 0 H CYS B 68 87.484 4.372 -3.546 1.00 0.00 H new ATOM 0 HA CYS B 68 86.234 3.492 -0.969 1.00 0.00 H new ATOM 0 HB2 CYS B 68 85.479 5.657 -1.922 1.00 0.00 H new ATOM 0 HB3 CYS B 68 85.133 4.888 -3.459 1.00 0.00 H new ATOM 0 HG CYS B 68 83.184 3.104 -2.275 1.00 0.00 H new ATOM 2536 N ASP B 69 85.710 1.230 -1.921 1.00 0.00 N ATOM 2537 CA ASP B 69 85.291 -0.094 -2.462 1.00 0.00 C ATOM 2538 C ASP B 69 83.768 -0.159 -2.630 1.00 0.00 C ATOM 2539 O ASP B 69 83.048 0.770 -2.322 1.00 0.00 O ATOM 2540 CB ASP B 69 85.745 -1.202 -1.508 1.00 0.00 C ATOM 2541 CG ASP B 69 85.702 -2.551 -2.231 1.00 0.00 C ATOM 2542 OD1 ASP B 69 84.637 -3.143 -2.274 1.00 0.00 O ATOM 2543 OD2 ASP B 69 86.735 -2.968 -2.729 1.00 0.00 O ATOM 0 H ASP B 69 86.011 1.221 -0.946 1.00 0.00 H new ATOM 0 HA ASP B 69 85.754 -0.230 -3.439 1.00 0.00 H new ATOM 0 HB2 ASP B 69 86.756 -1.000 -1.154 1.00 0.00 H new ATOM 0 HB3 ASP B 69 85.099 -1.227 -0.630 1.00 0.00 H new ATOM 2548 N PHE B 70 83.286 -1.271 -3.117 1.00 0.00 N ATOM 2549 CA PHE B 70 81.816 -1.439 -3.312 1.00 0.00 C ATOM 2550 C PHE B 70 81.101 -1.333 -1.960 1.00 0.00 C ATOM 2551 O PHE B 70 80.113 -0.644 -1.815 1.00 0.00 O ATOM 2552 CB PHE B 70 81.525 -2.800 -3.942 1.00 0.00 C ATOM 2553 CG PHE B 70 80.053 -2.903 -4.274 1.00 0.00 C ATOM 2554 CD1 PHE B 70 79.150 -3.407 -3.329 1.00 0.00 C ATOM 2555 CD2 PHE B 70 79.590 -2.494 -5.533 1.00 0.00 C ATOM 2556 CE1 PHE B 70 77.787 -3.501 -3.643 1.00 0.00 C ATOM 2557 CE2 PHE B 70 78.229 -2.589 -5.845 1.00 0.00 C ATOM 2558 CZ PHE B 70 77.327 -3.093 -4.900 1.00 0.00 C ATOM 0 H PHE B 70 83.851 -2.075 -3.390 1.00 0.00 H new ATOM 0 HA PHE B 70 81.453 -0.654 -3.976 1.00 0.00 H new ATOM 0 HB2 PHE B 70 82.121 -2.929 -4.845 1.00 0.00 H new ATOM 0 HB3 PHE B 70 81.810 -3.598 -3.256 1.00 0.00 H new ATOM 0 HD1 PHE B 70 79.504 -3.723 -2.359 1.00 0.00 H new ATOM 0 HD2 PHE B 70 80.285 -2.105 -6.263 1.00 0.00 H new ATOM 0 HE1 PHE B 70 77.091 -3.889 -2.914 1.00 0.00 H new ATOM 0 HE2 PHE B 70 77.874 -2.273 -6.815 1.00 0.00 H new ATOM 0 HZ PHE B 70 76.277 -3.167 -5.141 1.00 0.00 H new ATOM 2568 N GLN B 71 81.575 -2.043 -0.976 1.00 0.00 N ATOM 2569 CA GLN B 71 80.893 -2.003 0.348 1.00 0.00 C ATOM 2570 C GLN B 71 80.827 -0.550 0.828 1.00 0.00 C ATOM 2571 O GLN B 71 79.767 -0.041 1.134 1.00 0.00 O ATOM 2572 CB GLN B 71 81.672 -2.847 1.360 1.00 0.00 C ATOM 2573 CG GLN B 71 81.531 -4.330 1.007 1.00 0.00 C ATOM 2574 CD GLN B 71 82.382 -5.164 1.966 1.00 0.00 C ATOM 2575 OE1 GLN B 71 83.349 -4.677 2.517 1.00 0.00 O ATOM 2576 NE2 GLN B 71 82.063 -6.409 2.191 1.00 0.00 N ATOM 0 H GLN B 71 82.397 -2.644 -1.029 1.00 0.00 H new ATOM 0 HA GLN B 71 79.885 -2.407 0.254 1.00 0.00 H new ATOM 0 HB2 GLN B 71 82.724 -2.560 1.356 1.00 0.00 H new ATOM 0 HB3 GLN B 71 81.296 -2.665 2.367 1.00 0.00 H new ATOM 0 HG2 GLN B 71 80.486 -4.633 1.073 1.00 0.00 H new ATOM 0 HG3 GLN B 71 81.848 -4.502 -0.022 1.00 0.00 H new ATOM 0 HE21 GLN B 71 81.251 -6.819 1.729 1.00 0.00 H new ATOM 0 HE22 GLN B 71 82.625 -6.972 2.829 1.00 0.00 H new ATOM 2585 N GLU B 72 81.940 0.130 0.886 1.00 0.00 N ATOM 2586 CA GLU B 72 81.907 1.554 1.336 1.00 0.00 C ATOM 2587 C GLU B 72 81.012 2.348 0.380 1.00 0.00 C ATOM 2588 O GLU B 72 80.213 3.167 0.788 1.00 0.00 O ATOM 2589 CB GLU B 72 83.326 2.126 1.324 1.00 0.00 C ATOM 2590 CG GLU B 72 84.140 1.477 2.448 1.00 0.00 C ATOM 2591 CD GLU B 72 85.608 1.883 2.320 1.00 0.00 C ATOM 2592 OE1 GLU B 72 85.922 2.621 1.401 1.00 0.00 O ATOM 2593 OE2 GLU B 72 86.397 1.446 3.143 1.00 0.00 O ATOM 0 H GLU B 72 82.862 -0.233 0.644 1.00 0.00 H new ATOM 0 HA GLU B 72 81.511 1.620 2.349 1.00 0.00 H new ATOM 0 HB2 GLU B 72 83.799 1.937 0.360 1.00 0.00 H new ATOM 0 HB3 GLU B 72 83.296 3.207 1.458 1.00 0.00 H new ATOM 0 HG2 GLU B 72 83.750 1.786 3.418 1.00 0.00 H new ATOM 0 HG3 GLU B 72 84.047 0.392 2.398 1.00 0.00 H new ATOM 2600 N PHE B 73 81.152 2.104 -0.895 1.00 0.00 N ATOM 2601 CA PHE B 73 80.313 2.843 -1.884 1.00 0.00 C ATOM 2602 C PHE B 73 78.856 2.749 -1.434 1.00 0.00 C ATOM 2603 O PHE B 73 78.112 3.705 -1.492 1.00 0.00 O ATOM 2604 CB PHE B 73 80.464 2.230 -3.279 1.00 0.00 C ATOM 2605 CG PHE B 73 79.480 2.877 -4.225 1.00 0.00 C ATOM 2606 CD1 PHE B 73 79.821 4.059 -4.890 1.00 0.00 C ATOM 2607 CD2 PHE B 73 78.229 2.289 -4.438 1.00 0.00 C ATOM 2608 CE1 PHE B 73 78.909 4.655 -5.769 1.00 0.00 C ATOM 2609 CE2 PHE B 73 77.315 2.884 -5.317 1.00 0.00 C ATOM 2610 CZ PHE B 73 77.656 4.068 -5.983 1.00 0.00 C ATOM 0 H PHE B 73 81.806 1.430 -1.293 1.00 0.00 H new ATOM 0 HA PHE B 73 80.632 3.884 -1.934 1.00 0.00 H new ATOM 0 HB2 PHE B 73 81.482 2.374 -3.642 1.00 0.00 H new ATOM 0 HB3 PHE B 73 80.290 1.155 -3.236 1.00 0.00 H new ATOM 0 HD1 PHE B 73 80.788 4.512 -4.725 1.00 0.00 H new ATOM 0 HD2 PHE B 73 77.968 1.376 -3.924 1.00 0.00 H new ATOM 0 HE1 PHE B 73 79.172 5.568 -6.282 1.00 0.00 H new ATOM 0 HE2 PHE B 73 76.349 2.430 -5.481 1.00 0.00 H new ATOM 0 HZ PHE B 73 76.953 4.528 -6.661 1.00 0.00 H new ATOM 2620 N MET B 74 78.459 1.604 -0.953 1.00 0.00 N ATOM 2621 CA MET B 74 77.064 1.441 -0.461 1.00 0.00 C ATOM 2622 C MET B 74 76.896 2.276 0.815 1.00 0.00 C ATOM 2623 O MET B 74 75.834 2.791 1.096 1.00 0.00 O ATOM 2624 CB MET B 74 76.802 -0.039 -0.156 1.00 0.00 C ATOM 2625 CG MET B 74 75.350 -0.236 0.296 1.00 0.00 C ATOM 2626 SD MET B 74 74.232 0.139 -1.081 1.00 0.00 S ATOM 2627 CE MET B 74 73.054 -1.214 -0.821 1.00 0.00 C ATOM 0 H MET B 74 79.044 0.771 -0.880 1.00 0.00 H new ATOM 0 HA MET B 74 76.354 1.777 -1.217 1.00 0.00 H new ATOM 0 HB2 MET B 74 77.000 -0.641 -1.043 1.00 0.00 H new ATOM 0 HB3 MET B 74 77.483 -0.384 0.622 1.00 0.00 H new ATOM 0 HG2 MET B 74 75.199 -1.262 0.632 1.00 0.00 H new ATOM 0 HG3 MET B 74 75.131 0.413 1.144 1.00 0.00 H new ATOM 0 HE1 MET B 74 72.190 -1.074 -1.471 1.00 0.00 H new ATOM 0 HE2 MET B 74 73.534 -2.164 -1.055 1.00 0.00 H new ATOM 0 HE3 MET B 74 72.729 -1.218 0.219 1.00 0.00 H new ATOM 2637 N ALA B 75 77.942 2.417 1.588 1.00 0.00 N ATOM 2638 CA ALA B 75 77.834 3.227 2.836 1.00 0.00 C ATOM 2639 C ALA B 75 77.550 4.680 2.459 1.00 0.00 C ATOM 2640 O ALA B 75 76.571 5.258 2.868 1.00 0.00 O ATOM 2641 CB ALA B 75 79.146 3.147 3.622 1.00 0.00 C ATOM 0 H ALA B 75 78.860 2.009 1.410 1.00 0.00 H new ATOM 0 HA ALA B 75 77.026 2.840 3.456 1.00 0.00 H new ATOM 0 HB1 ALA B 75 79.061 3.740 4.532 1.00 0.00 H new ATOM 0 HB2 ALA B 75 79.351 2.109 3.883 1.00 0.00 H new ATOM 0 HB3 ALA B 75 79.961 3.535 3.010 1.00 0.00 H new ATOM 2647 N PHE B 76 78.408 5.269 1.678 1.00 0.00 N ATOM 2648 CA PHE B 76 78.202 6.693 1.269 1.00 0.00 C ATOM 2649 C PHE B 76 76.749 6.857 0.796 1.00 0.00 C ATOM 2650 O PHE B 76 76.106 7.858 1.039 1.00 0.00 O ATOM 2651 CB PHE B 76 79.162 7.030 0.129 1.00 0.00 C ATOM 2652 CG PHE B 76 79.027 8.487 -0.228 1.00 0.00 C ATOM 2653 CD1 PHE B 76 78.093 8.883 -1.188 1.00 0.00 C ATOM 2654 CD2 PHE B 76 79.842 9.440 0.395 1.00 0.00 C ATOM 2655 CE1 PHE B 76 77.970 10.236 -1.528 1.00 0.00 C ATOM 2656 CE2 PHE B 76 79.721 10.792 0.057 1.00 0.00 C ATOM 2657 CZ PHE B 76 78.784 11.190 -0.904 1.00 0.00 C ATOM 0 H PHE B 76 79.247 4.828 1.301 1.00 0.00 H new ATOM 0 HA PHE B 76 78.395 7.363 2.107 1.00 0.00 H new ATOM 0 HB2 PHE B 76 80.188 6.811 0.426 1.00 0.00 H new ATOM 0 HB3 PHE B 76 78.943 6.410 -0.740 1.00 0.00 H new ATOM 0 HD1 PHE B 76 77.466 8.146 -1.668 1.00 0.00 H new ATOM 0 HD2 PHE B 76 80.564 9.131 1.136 1.00 0.00 H new ATOM 0 HE1 PHE B 76 77.248 10.543 -2.270 1.00 0.00 H new ATOM 0 HE2 PHE B 76 80.350 11.528 0.537 1.00 0.00 H new ATOM 0 HZ PHE B 76 78.689 12.234 -1.165 1.00 0.00 H new ATOM 2667 N VAL B 77 76.233 5.846 0.166 1.00 0.00 N ATOM 2668 CA VAL B 77 74.810 5.896 -0.283 1.00 0.00 C ATOM 2669 C VAL B 77 73.914 5.853 0.964 1.00 0.00 C ATOM 2670 O VAL B 77 72.948 6.599 1.086 1.00 0.00 O ATOM 2671 CB VAL B 77 74.501 4.712 -1.210 1.00 0.00 C ATOM 2672 CG1 VAL B 77 72.994 4.624 -1.466 1.00 0.00 C ATOM 2673 CG2 VAL B 77 75.218 4.920 -2.545 1.00 0.00 C ATOM 0 H VAL B 77 76.730 4.985 -0.060 1.00 0.00 H new ATOM 0 HA VAL B 77 74.624 6.813 -0.843 1.00 0.00 H new ATOM 0 HB VAL B 77 74.842 3.791 -0.737 1.00 0.00 H new ATOM 0 HG11 VAL B 77 72.785 3.781 -2.125 1.00 0.00 H new ATOM 0 HG12 VAL B 77 72.472 4.483 -0.520 1.00 0.00 H new ATOM 0 HG13 VAL B 77 72.650 5.545 -1.936 1.00 0.00 H new ATOM 0 HG21 VAL B 77 75.003 4.082 -3.208 1.00 0.00 H new ATOM 0 HG22 VAL B 77 74.870 5.845 -3.004 1.00 0.00 H new ATOM 0 HG23 VAL B 77 76.293 4.981 -2.375 1.00 0.00 H new ATOM 2683 N SER B 78 74.248 5.024 1.922 1.00 0.00 N ATOM 2684 CA SER B 78 73.439 4.977 3.166 1.00 0.00 C ATOM 2685 C SER B 78 73.741 6.237 3.961 1.00 0.00 C ATOM 2686 O SER B 78 72.852 6.908 4.447 1.00 0.00 O ATOM 2687 CB SER B 78 73.829 3.747 3.988 1.00 0.00 C ATOM 2688 OG SER B 78 75.087 3.979 4.609 1.00 0.00 O ATOM 0 H SER B 78 75.042 4.384 1.892 1.00 0.00 H new ATOM 0 HA SER B 78 72.377 4.917 2.929 1.00 0.00 H new ATOM 0 HB2 SER B 78 73.069 3.544 4.743 1.00 0.00 H new ATOM 0 HB3 SER B 78 73.884 2.868 3.346 1.00 0.00 H new ATOM 0 HG SER B 78 75.733 4.280 3.936 1.00 0.00 H new ATOM 2694 N MET B 79 75.005 6.537 4.128 1.00 0.00 N ATOM 2695 CA MET B 79 75.426 7.724 4.923 1.00 0.00 C ATOM 2696 C MET B 79 74.542 8.878 4.536 1.00 0.00 C ATOM 2697 O MET B 79 74.069 9.616 5.375 1.00 0.00 O ATOM 2698 CB MET B 79 76.885 8.061 4.608 1.00 0.00 C ATOM 2699 CG MET B 79 77.389 9.115 5.599 1.00 0.00 C ATOM 2700 SD MET B 79 79.172 9.360 5.379 1.00 0.00 S ATOM 2701 CE MET B 79 79.746 7.943 6.355 1.00 0.00 C ATOM 0 H MET B 79 75.776 5.996 3.737 1.00 0.00 H new ATOM 0 HA MET B 79 75.337 7.520 5.990 1.00 0.00 H new ATOM 0 HB2 MET B 79 77.499 7.163 4.672 1.00 0.00 H new ATOM 0 HB3 MET B 79 76.971 8.434 3.588 1.00 0.00 H new ATOM 0 HG2 MET B 79 76.861 10.056 5.443 1.00 0.00 H new ATOM 0 HG3 MET B 79 77.179 8.797 6.620 1.00 0.00 H new ATOM 0 HE1 MET B 79 80.819 8.030 6.526 1.00 0.00 H new ATOM 0 HE2 MET B 79 79.226 7.926 7.313 1.00 0.00 H new ATOM 0 HE3 MET B 79 79.538 7.020 5.813 1.00 0.00 H new ATOM 2711 N VAL B 80 74.239 9.003 3.277 1.00 0.00 N ATOM 2712 CA VAL B 80 73.299 10.069 2.890 1.00 0.00 C ATOM 2713 C VAL B 80 72.046 9.814 3.734 1.00 0.00 C ATOM 2714 O VAL B 80 71.850 10.438 4.758 1.00 0.00 O ATOM 2715 CB VAL B 80 72.994 9.980 1.385 1.00 0.00 C ATOM 2716 CG1 VAL B 80 71.765 10.834 1.050 1.00 0.00 C ATOM 2717 CG2 VAL B 80 74.200 10.501 0.595 1.00 0.00 C ATOM 0 H VAL B 80 74.596 8.423 2.518 1.00 0.00 H new ATOM 0 HA VAL B 80 73.698 11.069 3.064 1.00 0.00 H new ATOM 0 HB VAL B 80 72.794 8.942 1.119 1.00 0.00 H new ATOM 0 HG11 VAL B 80 71.555 10.766 -0.017 1.00 0.00 H new ATOM 0 HG12 VAL B 80 70.905 10.471 1.613 1.00 0.00 H new ATOM 0 HG13 VAL B 80 71.960 11.873 1.316 1.00 0.00 H new ATOM 0 HG21 VAL B 80 73.989 10.440 -0.473 1.00 0.00 H new ATOM 0 HG22 VAL B 80 74.393 11.538 0.868 1.00 0.00 H new ATOM 0 HG23 VAL B 80 75.076 9.895 0.827 1.00 0.00 H new ATOM 2727 N THR B 81 71.167 8.951 3.300 1.00 0.00 N ATOM 2728 CA THR B 81 69.899 8.725 4.068 1.00 0.00 C ATOM 2729 C THR B 81 70.121 8.660 5.591 1.00 0.00 C ATOM 2730 O THR B 81 69.456 9.349 6.338 1.00 0.00 O ATOM 2731 CB THR B 81 69.280 7.403 3.612 1.00 0.00 C ATOM 2732 OG1 THR B 81 70.192 6.344 3.864 1.00 0.00 O ATOM 2733 CG2 THR B 81 68.959 7.459 2.117 1.00 0.00 C ATOM 0 H THR B 81 71.267 8.393 2.452 1.00 0.00 H new ATOM 0 HA THR B 81 69.243 9.572 3.868 1.00 0.00 H new ATOM 0 HB THR B 81 68.357 7.232 4.165 1.00 0.00 H new ATOM 0 HG1 THR B 81 71.104 6.701 3.907 1.00 0.00 H new ATOM 0 HG21 THR B 81 68.519 6.512 1.804 1.00 0.00 H new ATOM 0 HG22 THR B 81 68.254 8.268 1.926 1.00 0.00 H new ATOM 0 HG23 THR B 81 69.876 7.637 1.554 1.00 0.00 H new ATOM 2741 N THR B 82 71.012 7.838 6.074 1.00 0.00 N ATOM 2742 CA THR B 82 71.204 7.751 7.553 1.00 0.00 C ATOM 2743 C THR B 82 71.625 9.113 8.117 1.00 0.00 C ATOM 2744 O THR B 82 71.282 9.466 9.228 1.00 0.00 O ATOM 2745 CB THR B 82 72.276 6.712 7.871 1.00 0.00 C ATOM 2746 OG1 THR B 82 73.503 7.107 7.287 1.00 0.00 O ATOM 2747 CG2 THR B 82 71.856 5.350 7.316 1.00 0.00 C ATOM 0 H THR B 82 71.611 7.228 5.517 1.00 0.00 H new ATOM 0 HA THR B 82 70.261 7.455 8.013 1.00 0.00 H new ATOM 0 HB THR B 82 72.397 6.636 8.952 1.00 0.00 H new ATOM 0 HG1 THR B 82 73.391 7.191 6.317 1.00 0.00 H new ATOM 0 HG21 THR B 82 72.624 4.611 7.545 1.00 0.00 H new ATOM 0 HG22 THR B 82 70.913 5.047 7.771 1.00 0.00 H new ATOM 0 HG23 THR B 82 71.731 5.420 6.235 1.00 0.00 H new ATOM 2755 N ALA B 83 72.346 9.888 7.357 1.00 0.00 N ATOM 2756 CA ALA B 83 72.765 11.232 7.848 1.00 0.00 C ATOM 2757 C ALA B 83 71.549 12.161 7.864 1.00 0.00 C ATOM 2758 O ALA B 83 71.399 13.001 8.730 1.00 0.00 O ATOM 2759 CB ALA B 83 73.835 11.810 6.922 1.00 0.00 C ATOM 0 H ALA B 83 72.664 9.650 6.417 1.00 0.00 H new ATOM 0 HA ALA B 83 73.174 11.141 8.854 1.00 0.00 H new ATOM 0 HB1 ALA B 83 74.138 12.792 7.285 1.00 0.00 H new ATOM 0 HB2 ALA B 83 74.700 11.146 6.906 1.00 0.00 H new ATOM 0 HB3 ALA B 83 73.431 11.904 5.914 1.00 0.00 H new ATOM 2765 N CYS B 84 70.679 12.008 6.903 1.00 0.00 N ATOM 2766 CA CYS B 84 69.462 12.868 6.837 1.00 0.00 C ATOM 2767 C CYS B 84 68.341 12.231 7.659 1.00 0.00 C ATOM 2768 O CYS B 84 68.040 11.063 7.516 1.00 0.00 O ATOM 2769 CB CYS B 84 69.015 12.995 5.380 1.00 0.00 C ATOM 2770 SG CYS B 84 70.260 13.920 4.447 1.00 0.00 S ATOM 0 H CYS B 84 70.759 11.319 6.155 1.00 0.00 H new ATOM 0 HA CYS B 84 69.689 13.855 7.239 1.00 0.00 H new ATOM 0 HB2 CYS B 84 68.878 12.006 4.943 1.00 0.00 H new ATOM 0 HB3 CYS B 84 68.052 13.504 5.326 1.00 0.00 H new ATOM 0 HG CYS B 84 69.883 14.027 3.208 1.00 0.00 H new