USER MOD reduce.3.24.130724 H: found=0, std=0, add=1665, rem=0, adj=49 USER MOD reduce.3.24.130724 removed 1666 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 NoAdj : A 66 ASNHD21 : A 66 ASN OD1 : A 198 CACA :(metal ligand) USER MOD NoAdj : A 66 ASNHD22 : A 66 ASN OD1 : A 198 CACA :(metal ligand) USER MOD NoAdj : B 66 ASNHD21 : B 66 ASN OD1 : B 200 CACA :(metal ligand) USER MOD NoAdj : B 66 ASNHD22 : B 66 ASN OD1 : B 200 CACA :(metal ligand) USER MOD Set 1.1: A 48 HIS : no HE2:sc= 0.931 K(o=2.2,f=-15!) USER MOD Set 1.2: A 98 LYS NZ :NH3+ -163:sc= 1.24 (180deg=0) USER MOD Set 2.1: A 60 MET CE :methyl 180:sc= -0.34 (180deg=-0.34) USER MOD Set 2.2: A 69 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 59 LYS NZ :NH3+ 148:sc= 2.23 (180deg=0.999) USER MOD Set 3.2: A 62 SER OG : rot 138:sc= 1.08 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -114:sc= 0.282 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 170:sc= 1.1 USER MOD Single : A 12 SER OG : rot -33:sc= 1.24 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 87:sc= 1.16 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 1.17 K(o=1.2,f=-0.42) USER MOD Single : A 30 LYS NZ :NH3+ 169:sc= 0.198 (180deg=0.167) USER MOD Single : A 36 ASN : amide:sc= 1.17 K(o=1.2,f=-0.17) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 86:sc= 1.19 USER MOD Single : A 44 GLN : amide:sc=-0.00533 X(o=-0.0053,f=0) USER MOD Single : A 45 GLN : amide:sc= 1.09 K(o=1.1,f=-6.2!) USER MOD Single : A 51 LYS NZ :NH3+ -175:sc= 2.39 (180deg=2.23) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -151:sc= 2.38 (180deg=2.32) USER MOD Single : A 67 GLN : amide:sc= 1.5 K(o=1.5,f=-0.91) USER MOD Single : A 72 LYS NZ :NH3+ -163:sc= 2.06 (180deg=0.641) USER MOD Single : A 74 ASN : amide:sc= -0.182 K(o=-0.18,f=-1.9!) USER MOD Single : A 76 TYR OH : rot 165:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -169:sc= 2.29 (180deg=1.99) USER MOD Single : A 89 LYS NZ :NH3+ 179:sc= 2.34 (180deg=2.31) USER MOD Single : A 90 LYS NZ :NH3+ -176:sc= 1.79 (180deg=1.58) USER MOD Single : A 91 LYS NZ :NH3+ 173:sc= 1.15 (180deg=1.1) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl 173:sc= 0 (180deg=-0.017) USER MOD Single : B 1 MET N :NH3+ -177:sc= -0.247 (180deg=-0.437) USER MOD Single : B 7 THR OG1 : rot 180:sc= 0.243 USER MOD Single : B 12 SER OG : rot -29:sc= 1.22 USER MOD Single : B 15 THR OG1 : rot 50:sc= 1.23 USER MOD Single : B 18 THR OG1 : rot 180:sc= 0 USER MOD Single : B 19 THR OG1 : rot 173:sc= 1.28 USER MOD Single : B 22 THR OG1 : rot -17:sc= 1.22 USER MOD Single : B 26 GLN : amide:sc= 2.25 K(o=2.2,f=-11!) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 SER OG : rot 38:sc= 0.242 USER MOD Single : B 36 ASN : amide:sc= 0.782 K(o=0.78,f=-0.43) USER MOD Single : B 39 LYS NZ :NH3+ -133:sc= 1.23 (180deg=0.595) USER MOD Single : B 43 THR OG1 : rot 81:sc= 1.11 USER MOD Single : B 44 GLN : amide:sc= -0.277 X(o=-0.28,f=0) USER MOD Single : B 45 GLN : amide:sc= -0.435 K(o=-0.43,f=-2.7) USER MOD Single : B 48 HIS : no HD1:sc= -0.0989 X(o=-0.099,f=0) USER MOD Single : B 51 LYS NZ :NH3+ -162:sc= 2.16 (180deg=0.948) USER MOD Single : B 55 SER OG : rot 42:sc= 1.39 USER MOD Single : B 59 LYS NZ :NH3+ -143:sc= 1.09 (180deg=0.177) USER MOD Single : B 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 61 LYS NZ :NH3+ 145:sc= 1.1 (180deg=0.451) USER MOD Single : B 62 SER OG : rot 74:sc= 1.17 USER MOD Single : B 67 GLN : amide:sc=-0.00161 X(o=-0.0016,f=0) USER MOD Single : B 69 SER OG : rot -37:sc= 0.715 USER MOD Single : B 72 LYS NZ :NH3+ -115:sc= 1.04 (180deg=-0.483) USER MOD Single : B 74 ASN : amide:sc= -1.87 K(o=-1.9,f=-3!) USER MOD Single : B 76 TYR OH : rot -162:sc= 0.59 USER MOD Single : B 85 LYS NZ :NH3+ -173:sc= 1.12 (180deg=1.09) USER MOD Single : B 89 LYS NZ :NH3+ 164:sc= 1.3 (180deg=1.12) USER MOD Single : B 90 LYS NZ :NH3+ 163:sc= 2.18 (180deg=1.25) USER MOD Single : B 91 LYS NZ :NH3+ 171:sc= 1.29 (180deg=1.01) USER MOD Single : B 94 LYS NZ :NH3+ -175:sc= 0.583 (180deg=0.357) USER MOD Single : B 97 LYS NZ :NH3+ -167:sc= 1.24 (180deg=0.89) USER MOD Single : B 98 LYS NZ :NH3+ -122:sc= 1.01 (180deg=-0.786) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.072 -21.610 -22.874 1.00 4.38 N ATOM 2 CA MET A 1 8.938 -20.424 -22.995 1.00 3.92 C ATOM 3 C MET A 1 9.194 -19.889 -21.588 1.00 2.99 C ATOM 4 O MET A 1 8.743 -20.516 -20.632 1.00 2.99 O ATOM 5 CB MET A 1 8.292 -19.358 -23.898 1.00 4.52 C ATOM 6 CG MET A 1 8.374 -19.687 -25.392 1.00 5.86 C ATOM 7 SD MET A 1 7.720 -18.363 -26.442 1.00 7.15 S ATOM 8 CE MET A 1 8.157 -18.990 -28.077 1.00 8.62 C ATOM 0 H1 MET A 1 8.597 -22.456 -23.175 1.00 4.38 H new ATOM 0 H2 MET A 1 7.773 -21.722 -21.884 1.00 4.38 H new ATOM 0 H3 MET A 1 7.233 -21.491 -23.477 1.00 4.38 H new ATOM 0 HA MET A 1 9.884 -20.692 -23.465 1.00 3.92 H new ATOM 0 HB2 MET A 1 7.245 -19.242 -23.617 1.00 4.52 H new ATOM 0 HB3 MET A 1 8.778 -18.399 -23.719 1.00 4.52 H new ATOM 0 HG2 MET A 1 9.413 -19.877 -25.661 1.00 5.86 H new ATOM 0 HG3 MET A 1 7.821 -20.606 -25.588 1.00 5.86 H new ATOM 0 HE1 MET A 1 7.821 -18.286 -28.838 1.00 8.62 H new ATOM 0 HE2 MET A 1 9.238 -19.109 -28.144 1.00 8.62 H new ATOM 0 HE3 MET A 1 7.675 -19.955 -28.237 1.00 8.62 H new ATOM 20 N ALA A 2 9.895 -18.759 -21.477 1.00 3.19 N ATOM 21 CA ALA A 2 9.927 -17.943 -20.272 1.00 2.90 C ATOM 22 C ALA A 2 8.563 -17.304 -20.031 1.00 2.55 C ATOM 23 O ALA A 2 7.584 -17.638 -20.696 1.00 2.87 O ATOM 24 CB ALA A 2 11.063 -16.920 -20.407 1.00 4.04 C ATOM 0 H ALA A 2 10.464 -18.383 -22.236 1.00 3.19 H new ATOM 0 HA ALA A 2 10.131 -18.553 -19.392 1.00 2.90 H new ATOM 0 HB1 ALA A 2 11.102 -16.299 -19.512 1.00 4.04 H new ATOM 0 HB2 ALA A 2 12.012 -17.443 -20.527 1.00 4.04 H new ATOM 0 HB3 ALA A 2 10.884 -16.290 -21.278 1.00 4.04 H new ATOM 30 N ALA A 3 8.548 -16.391 -19.060 1.00 2.50 N ATOM 31 CA ALA A 3 7.419 -15.891 -18.299 1.00 2.46 C ATOM 32 C ALA A 3 7.440 -16.563 -16.929 1.00 1.88 C ATOM 33 O ALA A 3 6.757 -17.556 -16.689 1.00 2.31 O ATOM 34 CB ALA A 3 6.061 -16.010 -19.004 1.00 3.22 C ATOM 0 H ALA A 3 9.415 -15.943 -18.763 1.00 2.50 H new ATOM 0 HA ALA A 3 7.535 -14.813 -18.191 1.00 2.46 H new ATOM 0 HB1 ALA A 3 5.279 -15.611 -18.358 1.00 3.22 H new ATOM 0 HB2 ALA A 3 6.084 -15.446 -19.936 1.00 3.22 H new ATOM 0 HB3 ALA A 3 5.853 -17.058 -19.219 1.00 3.22 H new ATOM 40 N GLU A 4 8.292 -16.031 -16.052 1.00 1.61 N ATOM 41 CA GLU A 4 8.569 -16.591 -14.743 1.00 1.64 C ATOM 42 C GLU A 4 7.487 -16.179 -13.737 1.00 1.41 C ATOM 43 O GLU A 4 6.914 -15.095 -13.859 1.00 1.31 O ATOM 44 CB GLU A 4 9.997 -16.228 -14.290 1.00 2.47 C ATOM 45 CG GLU A 4 10.574 -14.940 -14.907 1.00 3.06 C ATOM 46 CD GLU A 4 11.967 -14.615 -14.378 1.00 4.49 C ATOM 47 OE1 GLU A 4 12.476 -15.415 -13.563 1.00 5.36 O ATOM 48 OE2 GLU A 4 12.506 -13.584 -14.830 1.00 5.26 O ATOM 0 H GLU A 4 8.818 -15.178 -16.244 1.00 1.61 H new ATOM 0 HA GLU A 4 8.532 -17.679 -14.801 1.00 1.64 H new ATOM 0 HB2 GLU A 4 10.002 -16.125 -13.205 1.00 2.47 H new ATOM 0 HB3 GLU A 4 10.660 -17.058 -14.535 1.00 2.47 H new ATOM 0 HG2 GLU A 4 10.616 -15.047 -15.991 1.00 3.06 H new ATOM 0 HG3 GLU A 4 9.904 -14.107 -14.694 1.00 3.06 H new ATOM 55 N PRO A 5 7.176 -17.045 -12.758 1.00 1.67 N ATOM 56 CA PRO A 5 6.185 -16.756 -11.741 1.00 1.67 C ATOM 57 C PRO A 5 6.738 -15.694 -10.790 1.00 1.36 C ATOM 58 O PRO A 5 7.563 -15.998 -9.931 1.00 1.74 O ATOM 59 CB PRO A 5 5.925 -18.092 -11.037 1.00 2.28 C ATOM 60 CG PRO A 5 7.250 -18.840 -11.191 1.00 2.52 C ATOM 61 CD PRO A 5 7.758 -18.363 -12.553 1.00 2.22 C ATOM 0 HA PRO A 5 5.255 -16.356 -12.144 1.00 1.67 H new ATOM 0 HB2 PRO A 5 5.664 -17.949 -9.988 1.00 2.28 H new ATOM 0 HB3 PRO A 5 5.101 -18.636 -11.499 1.00 2.28 H new ATOM 0 HG2 PRO A 5 7.948 -18.593 -10.391 1.00 2.52 H new ATOM 0 HG3 PRO A 5 7.108 -19.921 -11.169 1.00 2.52 H new ATOM 0 HD2 PRO A 5 8.847 -18.316 -12.569 1.00 2.22 H new ATOM 0 HD3 PRO A 5 7.457 -19.050 -13.344 1.00 2.22 H new ATOM 69 N LEU A 6 6.274 -14.452 -10.936 1.00 0.98 N ATOM 70 CA LEU A 6 6.550 -13.402 -9.969 1.00 1.00 C ATOM 71 C LEU A 6 5.956 -13.825 -8.625 1.00 0.98 C ATOM 72 O LEU A 6 4.997 -14.600 -8.590 1.00 1.03 O ATOM 73 CB LEU A 6 5.937 -12.085 -10.461 1.00 1.07 C ATOM 74 CG LEU A 6 6.553 -11.597 -11.785 1.00 0.95 C ATOM 75 CD1 LEU A 6 5.691 -10.464 -12.355 1.00 1.24 C ATOM 76 CD2 LEU A 6 7.984 -11.073 -11.615 1.00 1.30 C ATOM 0 H LEU A 6 5.700 -14.152 -11.724 1.00 0.98 H new ATOM 0 HA LEU A 6 7.623 -13.248 -9.852 1.00 1.00 H new ATOM 0 HB2 LEU A 6 4.863 -12.216 -10.592 1.00 1.07 H new ATOM 0 HB3 LEU A 6 6.074 -11.319 -9.698 1.00 1.07 H new ATOM 0 HG LEU A 6 6.586 -12.454 -12.458 1.00 0.95 H new ATOM 0 HD11 LEU A 6 6.123 -10.115 -13.293 1.00 1.24 H new ATOM 0 HD12 LEU A 6 4.681 -10.831 -12.535 1.00 1.24 H new ATOM 0 HD13 LEU A 6 5.656 -9.640 -11.643 1.00 1.24 H new ATOM 0 HD21 LEU A 6 8.368 -10.743 -12.580 1.00 1.30 H new ATOM 0 HD22 LEU A 6 7.984 -10.235 -10.918 1.00 1.30 H new ATOM 0 HD23 LEU A 6 8.619 -11.869 -11.225 1.00 1.30 H new ATOM 88 N THR A 7 6.520 -13.347 -7.515 1.00 0.98 N ATOM 89 CA THR A 7 5.978 -13.709 -6.212 1.00 1.02 C ATOM 90 C THR A 7 4.632 -13.011 -6.005 1.00 0.96 C ATOM 91 O THR A 7 4.219 -12.184 -6.813 1.00 1.09 O ATOM 92 CB THR A 7 6.988 -13.462 -5.084 1.00 1.07 C ATOM 93 OG1 THR A 7 6.472 -13.962 -3.867 1.00 1.77 O ATOM 94 CG2 THR A 7 7.333 -11.985 -4.904 1.00 1.00 C ATOM 0 H THR A 7 7.329 -12.726 -7.493 1.00 0.98 H new ATOM 0 HA THR A 7 5.791 -14.782 -6.182 1.00 1.02 H new ATOM 0 HB THR A 7 7.904 -13.982 -5.364 1.00 1.07 H new ATOM 0 HG1 THR A 7 7.174 -13.948 -3.184 1.00 1.77 H new ATOM 0 HG21 THR A 7 8.052 -11.876 -4.092 1.00 1.00 H new ATOM 0 HG22 THR A 7 7.766 -11.598 -5.826 1.00 1.00 H new ATOM 0 HG23 THR A 7 6.428 -11.426 -4.665 1.00 1.00 H new ATOM 102 N GLU A 8 3.932 -13.334 -4.920 1.00 1.05 N ATOM 103 CA GLU A 8 2.574 -12.858 -4.726 1.00 1.01 C ATOM 104 C GLU A 8 2.568 -11.339 -4.566 1.00 0.88 C ATOM 105 O GLU A 8 1.964 -10.613 -5.349 1.00 0.89 O ATOM 106 CB GLU A 8 1.947 -13.563 -3.524 1.00 1.19 C ATOM 107 CG GLU A 8 0.470 -13.185 -3.413 1.00 1.69 C ATOM 108 CD GLU A 8 -0.124 -13.810 -2.163 1.00 2.07 C ATOM 109 OE1 GLU A 8 0.192 -13.272 -1.079 1.00 3.01 O ATOM 110 OE2 GLU A 8 -0.830 -14.830 -2.303 1.00 2.72 O ATOM 0 H GLU A 8 4.286 -13.922 -4.166 1.00 1.05 H new ATOM 0 HA GLU A 8 1.971 -13.096 -5.603 1.00 1.01 H new ATOM 0 HB2 GLU A 8 2.048 -14.643 -3.631 1.00 1.19 H new ATOM 0 HB3 GLU A 8 2.473 -13.282 -2.611 1.00 1.19 H new ATOM 0 HG2 GLU A 8 0.364 -12.101 -3.375 1.00 1.69 H new ATOM 0 HG3 GLU A 8 -0.071 -13.528 -4.295 1.00 1.69 H new ATOM 117 N LEU A 9 3.270 -10.839 -3.548 1.00 0.86 N ATOM 118 CA LEU A 9 3.271 -9.413 -3.271 1.00 0.84 C ATOM 119 C LEU A 9 3.704 -8.633 -4.516 1.00 0.83 C ATOM 120 O LEU A 9 3.076 -7.638 -4.850 1.00 0.81 O ATOM 121 CB LEU A 9 4.113 -9.095 -2.029 1.00 0.86 C ATOM 122 CG LEU A 9 3.455 -9.646 -0.745 1.00 0.72 C ATOM 123 CD1 LEU A 9 4.088 -10.956 -0.264 1.00 1.15 C ATOM 124 CD2 LEU A 9 3.562 -8.616 0.384 1.00 1.47 C ATOM 0 H LEU A 9 3.838 -11.398 -2.911 1.00 0.86 H new ATOM 0 HA LEU A 9 2.257 -9.090 -3.035 1.00 0.84 H new ATOM 0 HB2 LEU A 9 5.108 -9.525 -2.143 1.00 0.86 H new ATOM 0 HB3 LEU A 9 4.240 -8.016 -1.940 1.00 0.86 H new ATOM 0 HG LEU A 9 2.413 -9.846 -0.996 1.00 0.72 H new ATOM 0 HD11 LEU A 9 3.583 -11.293 0.641 1.00 1.15 H new ATOM 0 HD12 LEU A 9 3.987 -11.715 -1.040 1.00 1.15 H new ATOM 0 HD13 LEU A 9 5.144 -10.793 -0.051 1.00 1.15 H new ATOM 0 HD21 LEU A 9 3.095 -9.014 1.285 1.00 1.47 H new ATOM 0 HD22 LEU A 9 4.612 -8.403 0.583 1.00 1.47 H new ATOM 0 HD23 LEU A 9 3.055 -7.698 0.088 1.00 1.47 H new ATOM 136 N GLU A 10 4.730 -9.124 -5.218 1.00 0.82 N ATOM 137 CA GLU A 10 5.206 -8.652 -6.511 1.00 0.75 C ATOM 138 C GLU A 10 4.075 -8.598 -7.545 1.00 0.70 C ATOM 139 O GLU A 10 3.841 -7.540 -8.131 1.00 0.68 O ATOM 140 CB GLU A 10 6.364 -9.562 -6.931 1.00 0.81 C ATOM 141 CG GLU A 10 7.197 -9.127 -8.133 1.00 1.68 C ATOM 142 CD GLU A 10 8.409 -10.048 -8.251 1.00 1.55 C ATOM 143 OE1 GLU A 10 8.189 -11.280 -8.182 1.00 2.12 O ATOM 144 OE2 GLU A 10 9.529 -9.506 -8.355 1.00 2.13 O ATOM 0 H GLU A 10 5.281 -9.910 -4.872 1.00 0.82 H new ATOM 0 HA GLU A 10 5.565 -7.625 -6.440 1.00 0.75 H new ATOM 0 HB2 GLU A 10 7.034 -9.670 -6.078 1.00 0.81 H new ATOM 0 HB3 GLU A 10 5.956 -10.550 -7.143 1.00 0.81 H new ATOM 0 HG2 GLU A 10 6.599 -9.172 -9.043 1.00 1.68 H new ATOM 0 HG3 GLU A 10 7.519 -8.092 -8.014 1.00 1.68 H new ATOM 151 N GLU A 11 3.357 -9.710 -7.758 1.00 0.70 N ATOM 152 CA GLU A 11 2.249 -9.744 -8.705 1.00 0.67 C ATOM 153 C GLU A 11 1.256 -8.640 -8.344 1.00 0.66 C ATOM 154 O GLU A 11 0.907 -7.817 -9.186 1.00 0.66 O ATOM 155 CB GLU A 11 1.642 -11.161 -8.862 1.00 0.72 C ATOM 156 CG GLU A 11 0.385 -11.562 -8.069 1.00 2.16 C ATOM 157 CD GLU A 11 -0.873 -10.776 -8.429 1.00 3.77 C ATOM 158 OE1 GLU A 11 -1.126 -10.628 -9.645 1.00 3.72 O ATOM 159 OE2 GLU A 11 -1.548 -10.314 -7.482 1.00 5.40 O ATOM 0 H GLU A 11 3.529 -10.596 -7.283 1.00 0.70 H new ATOM 0 HA GLU A 11 2.610 -9.528 -9.711 1.00 0.67 H new ATOM 0 HB2 GLU A 11 1.414 -11.298 -9.919 1.00 0.72 H new ATOM 0 HB3 GLU A 11 2.424 -11.877 -8.609 1.00 0.72 H new ATOM 0 HG2 GLU A 11 0.193 -12.623 -8.230 1.00 2.16 H new ATOM 0 HG3 GLU A 11 0.586 -11.433 -7.006 1.00 2.16 H new ATOM 166 N SER A 12 0.859 -8.570 -7.073 1.00 0.70 N ATOM 167 CA SER A 12 -0.155 -7.634 -6.626 1.00 0.74 C ATOM 168 C SER A 12 0.313 -6.183 -6.761 1.00 0.69 C ATOM 169 O SER A 12 -0.423 -5.333 -7.264 1.00 0.74 O ATOM 170 CB SER A 12 -0.562 -7.975 -5.192 1.00 0.81 C ATOM 171 OG SER A 12 -0.858 -9.355 -5.090 1.00 1.99 O ATOM 0 H SER A 12 1.234 -9.162 -6.332 1.00 0.70 H new ATOM 0 HA SER A 12 -1.031 -7.729 -7.268 1.00 0.74 H new ATOM 0 HB2 SER A 12 0.243 -7.715 -4.505 1.00 0.81 H new ATOM 0 HB3 SER A 12 -1.432 -7.385 -4.902 1.00 0.81 H new ATOM 0 HG SER A 12 -1.248 -9.669 -5.932 1.00 1.99 H new ATOM 177 N ILE A 13 1.532 -5.862 -6.319 1.00 0.66 N ATOM 178 CA ILE A 13 2.006 -4.496 -6.407 1.00 0.69 C ATOM 179 C ILE A 13 2.147 -4.115 -7.882 1.00 0.68 C ATOM 180 O ILE A 13 1.810 -2.990 -8.244 1.00 0.70 O ATOM 181 CB ILE A 13 3.219 -4.230 -5.494 1.00 0.72 C ATOM 182 CG1 ILE A 13 4.436 -5.103 -5.813 1.00 0.71 C ATOM 183 CG2 ILE A 13 2.774 -4.429 -4.036 1.00 0.71 C ATOM 184 CD1 ILE A 13 5.350 -4.472 -6.852 1.00 0.91 C ATOM 0 H ILE A 13 2.191 -6.522 -5.906 1.00 0.66 H new ATOM 0 HA ILE A 13 1.273 -3.803 -5.994 1.00 0.69 H new ATOM 0 HB ILE A 13 3.550 -3.206 -5.667 1.00 0.72 H new ATOM 0 HG12 ILE A 13 5.001 -5.282 -4.898 1.00 0.71 H new ATOM 0 HG13 ILE A 13 4.098 -6.074 -6.174 1.00 0.71 H new ATOM 0 HG21 ILE A 13 3.617 -4.246 -3.370 1.00 0.71 H new ATOM 0 HG22 ILE A 13 1.969 -3.732 -3.803 1.00 0.71 H new ATOM 0 HG23 ILE A 13 2.419 -5.451 -3.900 1.00 0.71 H new ATOM 0 HD11 ILE A 13 6.196 -5.132 -7.041 1.00 0.91 H new ATOM 0 HD12 ILE A 13 4.796 -4.318 -7.778 1.00 0.91 H new ATOM 0 HD13 ILE A 13 5.713 -3.513 -6.483 1.00 0.91 H new ATOM 196 N GLU A 14 2.536 -5.052 -8.758 1.00 0.67 N ATOM 197 CA GLU A 14 2.474 -4.787 -10.188 1.00 0.67 C ATOM 198 C GLU A 14 1.023 -4.494 -10.588 1.00 0.67 C ATOM 199 O GLU A 14 0.748 -3.425 -11.119 1.00 0.70 O ATOM 200 CB GLU A 14 3.104 -5.915 -11.019 1.00 0.70 C ATOM 201 CG GLU A 14 3.759 -5.355 -12.295 1.00 0.73 C ATOM 202 CD GLU A 14 2.800 -4.544 -13.163 1.00 1.89 C ATOM 203 OE1 GLU A 14 1.787 -5.136 -13.594 1.00 2.46 O ATOM 204 OE2 GLU A 14 3.086 -3.344 -13.365 1.00 2.99 O ATOM 0 H GLU A 14 2.887 -5.975 -8.503 1.00 0.67 H new ATOM 0 HA GLU A 14 3.075 -3.904 -10.408 1.00 0.67 H new ATOM 0 HB2 GLU A 14 3.850 -6.439 -10.422 1.00 0.70 H new ATOM 0 HB3 GLU A 14 2.340 -6.645 -11.287 1.00 0.70 H new ATOM 0 HG2 GLU A 14 4.604 -4.726 -12.015 1.00 0.73 H new ATOM 0 HG3 GLU A 14 4.158 -6.182 -12.882 1.00 0.73 H new ATOM 211 N THR A 15 0.082 -5.392 -10.283 1.00 0.66 N ATOM 212 CA THR A 15 -1.313 -5.287 -10.709 1.00 0.65 C ATOM 213 C THR A 15 -1.913 -3.911 -10.360 1.00 0.65 C ATOM 214 O THR A 15 -2.609 -3.293 -11.171 1.00 0.70 O ATOM 215 CB THR A 15 -2.132 -6.516 -10.240 1.00 0.73 C ATOM 216 OG1 THR A 15 -2.931 -6.984 -11.306 1.00 1.13 O ATOM 217 CG2 THR A 15 -3.061 -6.298 -9.041 1.00 0.86 C ATOM 0 H THR A 15 0.273 -6.224 -9.725 1.00 0.66 H new ATOM 0 HA THR A 15 -1.361 -5.324 -11.797 1.00 0.65 H new ATOM 0 HB THR A 15 -1.373 -7.228 -9.916 1.00 0.73 H new ATOM 0 HG1 THR A 15 -3.448 -7.762 -11.010 1.00 1.13 H new ATOM 0 HG21 THR A 15 -3.579 -7.228 -8.808 1.00 0.86 H new ATOM 0 HG22 THR A 15 -2.474 -5.984 -8.178 1.00 0.86 H new ATOM 0 HG23 THR A 15 -3.792 -5.527 -9.283 1.00 0.86 H new ATOM 225 N VAL A 16 -1.593 -3.374 -9.178 1.00 0.63 N ATOM 226 CA VAL A 16 -2.005 -2.015 -8.831 1.00 0.63 C ATOM 227 C VAL A 16 -1.161 -0.967 -9.572 1.00 0.60 C ATOM 228 O VAL A 16 -1.719 0.022 -10.046 1.00 0.63 O ATOM 229 CB VAL A 16 -2.097 -1.766 -7.311 1.00 0.64 C ATOM 230 CG1 VAL A 16 -2.924 -2.853 -6.612 1.00 0.63 C ATOM 231 CG2 VAL A 16 -0.736 -1.652 -6.630 1.00 0.71 C ATOM 0 H VAL A 16 -1.057 -3.854 -8.455 1.00 0.63 H new ATOM 0 HA VAL A 16 -3.030 -1.901 -9.183 1.00 0.63 H new ATOM 0 HB VAL A 16 -2.597 -0.803 -7.210 1.00 0.64 H new ATOM 0 HG11 VAL A 16 -2.968 -2.646 -5.543 1.00 0.63 H new ATOM 0 HG12 VAL A 16 -3.934 -2.861 -7.022 1.00 0.63 H new ATOM 0 HG13 VAL A 16 -2.459 -3.825 -6.774 1.00 0.63 H new ATOM 0 HG21 VAL A 16 -0.876 -1.477 -5.563 1.00 0.71 H new ATOM 0 HG22 VAL A 16 -0.178 -2.577 -6.776 1.00 0.71 H new ATOM 0 HG23 VAL A 16 -0.181 -0.820 -7.064 1.00 0.71 H new ATOM 241 N VAL A 17 0.158 -1.152 -9.701 1.00 0.59 N ATOM 242 CA VAL A 17 1.019 -0.230 -10.439 1.00 0.59 C ATOM 243 C VAL A 17 0.557 -0.069 -11.890 1.00 0.55 C ATOM 244 O VAL A 17 0.442 1.059 -12.361 1.00 0.57 O ATOM 245 CB VAL A 17 2.497 -0.638 -10.334 1.00 0.63 C ATOM 246 CG1 VAL A 17 3.376 0.101 -11.354 1.00 0.64 C ATOM 247 CG2 VAL A 17 3.008 -0.312 -8.924 1.00 0.71 C ATOM 0 H VAL A 17 0.655 -1.945 -9.296 1.00 0.59 H new ATOM 0 HA VAL A 17 0.931 0.752 -9.974 1.00 0.59 H new ATOM 0 HB VAL A 17 2.560 -1.706 -10.542 1.00 0.63 H new ATOM 0 HG11 VAL A 17 4.412 -0.220 -11.242 1.00 0.64 H new ATOM 0 HG12 VAL A 17 3.033 -0.127 -12.363 1.00 0.64 H new ATOM 0 HG13 VAL A 17 3.308 1.175 -11.182 1.00 0.64 H new ATOM 0 HG21 VAL A 17 4.056 -0.599 -8.842 1.00 0.71 H new ATOM 0 HG22 VAL A 17 2.909 0.758 -8.739 1.00 0.71 H new ATOM 0 HG23 VAL A 17 2.422 -0.863 -8.188 1.00 0.71 H new ATOM 257 N THR A 18 0.284 -1.149 -12.618 1.00 0.55 N ATOM 258 CA THR A 18 -0.197 -1.054 -13.989 1.00 0.55 C ATOM 259 C THR A 18 -1.516 -0.268 -14.042 1.00 0.55 C ATOM 260 O THR A 18 -1.679 0.603 -14.898 1.00 0.55 O ATOM 261 CB THR A 18 -0.254 -2.440 -14.659 1.00 0.59 C ATOM 262 OG1 THR A 18 -0.651 -2.316 -16.011 1.00 0.63 O ATOM 263 CG2 THR A 18 -1.183 -3.425 -13.948 1.00 0.60 C ATOM 0 H THR A 18 0.389 -2.104 -12.276 1.00 0.55 H new ATOM 0 HA THR A 18 0.515 -0.483 -14.584 1.00 0.55 H new ATOM 0 HB THR A 18 0.755 -2.847 -14.593 1.00 0.59 H new ATOM 0 HG1 THR A 18 -0.682 -3.203 -16.426 1.00 0.63 H new ATOM 0 HG21 THR A 18 -1.173 -4.379 -14.475 1.00 0.60 H new ATOM 0 HG22 THR A 18 -0.841 -3.573 -12.923 1.00 0.60 H new ATOM 0 HG23 THR A 18 -2.197 -3.026 -13.938 1.00 0.60 H new ATOM 271 N THR A 19 -2.443 -0.527 -13.111 1.00 0.58 N ATOM 272 CA THR A 19 -3.700 0.203 -13.026 1.00 0.61 C ATOM 273 C THR A 19 -3.419 1.701 -12.820 1.00 0.62 C ATOM 274 O THR A 19 -3.841 2.544 -13.613 1.00 0.68 O ATOM 275 CB THR A 19 -4.561 -0.434 -11.921 1.00 0.64 C ATOM 276 OG1 THR A 19 -4.725 -1.809 -12.207 1.00 0.67 O ATOM 277 CG2 THR A 19 -5.955 0.187 -11.840 1.00 0.73 C ATOM 0 H THR A 19 -2.336 -1.249 -12.399 1.00 0.58 H new ATOM 0 HA THR A 19 -4.269 0.134 -13.953 1.00 0.61 H new ATOM 0 HB THR A 19 -4.049 -0.268 -10.973 1.00 0.64 H new ATOM 0 HG1 THR A 19 -3.971 -2.313 -11.836 1.00 0.67 H new ATOM 0 HG21 THR A 19 -6.523 -0.297 -11.045 1.00 0.73 H new ATOM 0 HG22 THR A 19 -5.867 1.252 -11.626 1.00 0.73 H new ATOM 0 HG23 THR A 19 -6.471 0.049 -12.790 1.00 0.73 H new ATOM 285 N PHE A 20 -2.642 2.024 -11.783 1.00 0.63 N ATOM 286 CA PHE A 20 -2.108 3.355 -11.521 1.00 0.64 C ATOM 287 C PHE A 20 -1.565 3.984 -12.810 1.00 0.61 C ATOM 288 O PHE A 20 -1.944 5.095 -13.163 1.00 0.66 O ATOM 289 CB PHE A 20 -1.043 3.244 -10.412 1.00 0.68 C ATOM 290 CG PHE A 20 -0.012 4.357 -10.329 1.00 1.16 C ATOM 291 CD1 PHE A 20 1.128 4.334 -11.157 1.00 2.33 C ATOM 292 CD2 PHE A 20 -0.140 5.364 -9.359 1.00 2.32 C ATOM 293 CE1 PHE A 20 2.031 5.409 -11.142 1.00 3.07 C ATOM 294 CE2 PHE A 20 0.824 6.384 -9.271 1.00 2.96 C ATOM 295 CZ PHE A 20 1.871 6.444 -10.207 1.00 2.95 C ATOM 0 H PHE A 20 -2.360 1.340 -11.081 1.00 0.63 H new ATOM 0 HA PHE A 20 -2.896 4.022 -11.172 1.00 0.64 H new ATOM 0 HB2 PHE A 20 -1.558 3.188 -9.453 1.00 0.68 H new ATOM 0 HB3 PHE A 20 -0.513 2.301 -10.545 1.00 0.68 H new ATOM 0 HD1 PHE A 20 1.307 3.488 -11.804 1.00 2.33 H new ATOM 0 HD2 PHE A 20 -0.980 5.355 -8.680 1.00 2.32 H new ATOM 0 HE1 PHE A 20 2.847 5.440 -11.849 1.00 3.07 H new ATOM 0 HE2 PHE A 20 0.760 7.121 -8.484 1.00 2.96 H new ATOM 0 HZ PHE A 20 2.550 7.284 -10.207 1.00 2.95 H new ATOM 305 N PHE A 21 -0.695 3.270 -13.524 1.00 0.58 N ATOM 306 CA PHE A 21 0.052 3.770 -14.668 1.00 0.61 C ATOM 307 C PHE A 21 -0.889 4.091 -15.829 1.00 0.65 C ATOM 308 O PHE A 21 -0.823 5.177 -16.409 1.00 0.72 O ATOM 309 CB PHE A 21 1.108 2.721 -15.054 1.00 0.68 C ATOM 310 CG PHE A 21 2.197 3.144 -16.025 1.00 1.01 C ATOM 311 CD1 PHE A 21 3.053 4.208 -15.679 1.00 2.10 C ATOM 312 CD2 PHE A 21 2.592 2.245 -17.036 1.00 2.27 C ATOM 313 CE1 PHE A 21 4.329 4.309 -16.259 1.00 2.53 C ATOM 314 CE2 PHE A 21 3.872 2.338 -17.608 1.00 2.79 C ATOM 315 CZ PHE A 21 4.755 3.350 -17.194 1.00 2.38 C ATOM 0 H PHE A 21 -0.487 2.294 -13.311 1.00 0.58 H new ATOM 0 HA PHE A 21 0.557 4.701 -14.412 1.00 0.61 H new ATOM 0 HB2 PHE A 21 1.589 2.376 -14.139 1.00 0.68 H new ATOM 0 HB3 PHE A 21 0.589 1.864 -15.484 1.00 0.68 H new ATOM 0 HD1 PHE A 21 2.727 4.950 -14.965 1.00 2.10 H new ATOM 0 HD2 PHE A 21 1.907 1.481 -17.373 1.00 2.27 H new ATOM 0 HE1 PHE A 21 4.983 5.124 -15.986 1.00 2.53 H new ATOM 0 HE2 PHE A 21 4.177 1.632 -18.366 1.00 2.79 H new ATOM 0 HZ PHE A 21 5.758 3.391 -17.593 1.00 2.38 H new ATOM 325 N THR A 22 -1.777 3.151 -16.170 1.00 0.67 N ATOM 326 CA THR A 22 -2.708 3.361 -17.267 1.00 0.80 C ATOM 327 C THR A 22 -3.639 4.538 -16.950 1.00 0.82 C ATOM 328 O THR A 22 -3.919 5.345 -17.834 1.00 1.01 O ATOM 329 CB THR A 22 -3.410 2.055 -17.684 1.00 0.91 C ATOM 330 OG1 THR A 22 -3.829 2.150 -19.031 1.00 2.10 O ATOM 331 CG2 THR A 22 -4.612 1.678 -16.816 1.00 1.72 C ATOM 0 H THR A 22 -1.865 2.248 -15.703 1.00 0.67 H new ATOM 0 HA THR A 22 -2.160 3.653 -18.163 1.00 0.80 H new ATOM 0 HB THR A 22 -2.671 1.266 -17.549 1.00 0.91 H new ATOM 0 HG1 THR A 22 -4.274 1.318 -19.295 1.00 2.10 H new ATOM 0 HG21 THR A 22 -5.046 0.746 -17.180 1.00 1.72 H new ATOM 0 HG22 THR A 22 -4.289 1.549 -15.783 1.00 1.72 H new ATOM 0 HG23 THR A 22 -5.359 2.470 -16.866 1.00 1.72 H new ATOM 339 N PHE A 23 -4.054 4.704 -15.686 1.00 0.73 N ATOM 340 CA PHE A 23 -4.739 5.931 -15.294 1.00 0.79 C ATOM 341 C PHE A 23 -3.817 7.143 -15.417 1.00 0.77 C ATOM 342 O PHE A 23 -4.198 8.147 -15.990 1.00 0.92 O ATOM 343 CB PHE A 23 -5.312 5.839 -13.874 1.00 0.86 C ATOM 344 CG PHE A 23 -6.567 4.998 -13.750 1.00 0.86 C ATOM 345 CD1 PHE A 23 -7.736 5.386 -14.433 1.00 1.95 C ATOM 346 CD2 PHE A 23 -6.605 3.896 -12.877 1.00 2.08 C ATOM 347 CE1 PHE A 23 -8.926 4.659 -14.263 1.00 2.22 C ATOM 348 CE2 PHE A 23 -7.802 3.182 -12.695 1.00 2.61 C ATOM 349 CZ PHE A 23 -8.970 3.586 -13.359 1.00 2.09 C ATOM 0 H PHE A 23 -3.929 4.020 -14.939 1.00 0.73 H new ATOM 0 HA PHE A 23 -5.574 6.060 -15.982 1.00 0.79 H new ATOM 0 HB2 PHE A 23 -4.548 5.427 -13.215 1.00 0.86 H new ATOM 0 HB3 PHE A 23 -5.530 6.846 -13.519 1.00 0.86 H new ATOM 0 HD1 PHE A 23 -7.718 6.244 -15.089 1.00 1.95 H new ATOM 0 HD2 PHE A 23 -5.713 3.598 -12.346 1.00 2.08 H new ATOM 0 HE1 PHE A 23 -9.807 4.926 -14.828 1.00 2.22 H new ATOM 0 HE2 PHE A 23 -7.823 2.321 -12.043 1.00 2.61 H new ATOM 0 HZ PHE A 23 -9.902 3.072 -13.175 1.00 2.09 H new ATOM 359 N ALA A 24 -2.598 7.073 -14.898 1.00 0.68 N ATOM 360 CA ALA A 24 -1.669 8.189 -14.781 1.00 0.71 C ATOM 361 C ALA A 24 -1.480 8.885 -16.123 1.00 0.76 C ATOM 362 O ALA A 24 -1.278 10.102 -16.186 1.00 0.84 O ATOM 363 CB ALA A 24 -0.314 7.695 -14.257 1.00 0.75 C ATOM 0 H ALA A 24 -2.214 6.202 -14.532 1.00 0.68 H new ATOM 0 HA ALA A 24 -2.089 8.907 -14.076 1.00 0.71 H new ATOM 0 HB1 ALA A 24 0.373 8.537 -14.173 1.00 0.75 H new ATOM 0 HB2 ALA A 24 -0.448 7.237 -13.277 1.00 0.75 H new ATOM 0 HB3 ALA A 24 0.097 6.959 -14.948 1.00 0.75 H new ATOM 369 N ARG A 25 -1.504 8.074 -17.180 1.00 0.79 N ATOM 370 CA ARG A 25 -1.399 8.469 -18.570 1.00 0.87 C ATOM 371 C ARG A 25 -2.507 9.437 -18.998 1.00 0.90 C ATOM 372 O ARG A 25 -2.236 10.266 -19.864 1.00 1.02 O ATOM 373 CB ARG A 25 -1.414 7.171 -19.388 1.00 0.93 C ATOM 374 CG ARG A 25 -1.502 7.314 -20.911 1.00 2.00 C ATOM 375 CD ARG A 25 -1.790 5.925 -21.493 1.00 2.14 C ATOM 376 NE ARG A 25 -1.973 5.971 -22.951 1.00 3.43 N ATOM 377 CZ ARG A 25 -2.438 4.949 -23.688 1.00 4.10 C ATOM 378 NH1 ARG A 25 -2.757 3.791 -23.097 1.00 4.19 N ATOM 379 NH2 ARG A 25 -2.579 5.088 -25.012 1.00 5.53 N ATOM 0 H ARG A 25 -1.604 7.064 -17.074 1.00 0.79 H new ATOM 0 HA ARG A 25 -0.477 9.026 -18.738 1.00 0.87 H new ATOM 0 HB2 ARG A 25 -0.510 6.610 -19.151 1.00 0.93 H new ATOM 0 HB3 ARG A 25 -2.259 6.569 -19.054 1.00 0.93 H new ATOM 0 HG2 ARG A 25 -2.291 8.015 -21.185 1.00 2.00 H new ATOM 0 HG3 ARG A 25 -0.570 7.711 -21.312 1.00 2.00 H new ATOM 0 HD2 ARG A 25 -0.968 5.252 -21.251 1.00 2.14 H new ATOM 0 HD3 ARG A 25 -2.686 5.514 -21.027 1.00 2.14 H new ATOM 0 HE ARG A 25 -1.731 6.836 -23.435 1.00 3.43 H new ATOM 0 HH11 ARG A 25 -2.647 3.686 -22.088 1.00 4.19 H new ATOM 0 HH12 ARG A 25 -3.110 3.014 -23.655 1.00 4.19 H new ATOM 0 HH21 ARG A 25 -2.333 5.970 -25.461 1.00 5.53 H new ATOM 0 HH22 ARG A 25 -2.932 4.312 -25.572 1.00 5.53 H new ATOM 393 N GLN A 26 -3.731 9.315 -18.465 1.00 0.85 N ATOM 394 CA GLN A 26 -4.913 9.991 -18.989 1.00 0.90 C ATOM 395 C GLN A 26 -4.661 11.476 -19.296 1.00 0.92 C ATOM 396 O GLN A 26 -4.774 11.931 -20.432 1.00 1.04 O ATOM 397 CB GLN A 26 -6.053 9.842 -17.968 1.00 0.88 C ATOM 398 CG GLN A 26 -7.400 9.663 -18.635 1.00 1.15 C ATOM 399 CD GLN A 26 -7.614 8.235 -19.132 1.00 1.52 C ATOM 400 OE1 GLN A 26 -7.191 7.887 -20.231 1.00 2.34 O ATOM 401 NE2 GLN A 26 -8.265 7.387 -18.342 1.00 1.71 N ATOM 0 H GLN A 26 -3.924 8.736 -17.648 1.00 0.85 H new ATOM 0 HA GLN A 26 -5.181 9.524 -19.937 1.00 0.90 H new ATOM 0 HB2 GLN A 26 -5.852 8.986 -17.324 1.00 0.88 H new ATOM 0 HB3 GLN A 26 -6.081 10.723 -17.327 1.00 0.88 H new ATOM 0 HG2 GLN A 26 -8.190 9.922 -17.930 1.00 1.15 H new ATOM 0 HG3 GLN A 26 -7.482 10.354 -19.474 1.00 1.15 H new ATOM 0 HE21 GLN A 26 -8.608 7.698 -17.433 1.00 1.71 H new ATOM 0 HE22 GLN A 26 -8.422 6.426 -18.645 1.00 1.71 H new ATOM 410 N GLU A 27 -4.320 12.210 -18.243 1.00 0.86 N ATOM 411 CA GLU A 27 -3.977 13.611 -18.197 1.00 0.94 C ATOM 412 C GLU A 27 -2.454 13.678 -18.023 1.00 0.94 C ATOM 413 O GLU A 27 -1.947 13.271 -16.970 1.00 1.30 O ATOM 414 CB GLU A 27 -4.656 14.257 -16.974 1.00 1.06 C ATOM 415 CG GLU A 27 -6.169 14.033 -16.799 1.00 1.15 C ATOM 416 CD GLU A 27 -6.608 14.519 -15.416 1.00 1.72 C ATOM 417 OE1 GLU A 27 -6.433 15.724 -15.142 1.00 2.43 O ATOM 418 OE2 GLU A 27 -7.021 13.675 -14.590 1.00 2.92 O ATOM 0 H GLU A 27 -4.275 11.790 -17.314 1.00 0.86 H new ATOM 0 HA GLU A 27 -4.300 14.133 -19.097 1.00 0.94 H new ATOM 0 HB2 GLU A 27 -4.156 13.889 -16.078 1.00 1.06 H new ATOM 0 HB3 GLU A 27 -4.478 15.331 -17.019 1.00 1.06 H new ATOM 0 HG2 GLU A 27 -6.717 14.569 -17.574 1.00 1.15 H new ATOM 0 HG3 GLU A 27 -6.405 12.975 -16.915 1.00 1.15 H new ATOM 425 N GLY A 28 -1.750 14.194 -19.035 1.00 1.32 N ATOM 426 CA GLY A 28 -0.377 14.690 -18.971 1.00 1.54 C ATOM 427 C GLY A 28 0.605 13.873 -18.123 1.00 1.45 C ATOM 428 O GLY A 28 0.679 14.063 -16.912 1.00 1.76 O ATOM 0 H GLY A 28 -2.147 14.280 -19.971 1.00 1.32 H new ATOM 0 HA2 GLY A 28 0.014 14.746 -19.987 1.00 1.54 H new ATOM 0 HA3 GLY A 28 -0.399 15.708 -18.582 1.00 1.54 H new ATOM 432 N ARG A 29 1.426 13.035 -18.769 1.00 1.61 N ATOM 433 CA ARG A 29 2.565 12.373 -18.137 1.00 1.69 C ATOM 434 C ARG A 29 2.147 11.251 -17.180 1.00 1.27 C ATOM 435 O ARG A 29 1.628 11.503 -16.093 1.00 1.20 O ATOM 436 CB ARG A 29 3.548 13.328 -17.451 1.00 2.13 C ATOM 437 CG ARG A 29 4.168 14.410 -18.339 1.00 2.61 C ATOM 438 CD ARG A 29 5.287 15.062 -17.514 1.00 2.55 C ATOM 439 NE ARG A 29 6.069 16.033 -18.294 1.00 3.35 N ATOM 440 CZ ARG A 29 7.221 16.579 -17.868 1.00 3.86 C ATOM 441 NH1 ARG A 29 7.689 16.278 -16.651 1.00 4.20 N ATOM 442 NH2 ARG A 29 7.901 17.416 -18.660 1.00 4.87 N ATOM 0 H ARG A 29 1.314 12.798 -19.755 1.00 1.61 H new ATOM 0 HA ARG A 29 3.102 11.923 -18.972 1.00 1.69 H new ATOM 0 HB2 ARG A 29 3.031 13.817 -16.625 1.00 2.13 H new ATOM 0 HB3 ARG A 29 4.354 12.737 -17.017 1.00 2.13 H new ATOM 0 HG2 ARG A 29 4.565 13.978 -19.258 1.00 2.61 H new ATOM 0 HG3 ARG A 29 3.421 15.148 -18.631 1.00 2.61 H new ATOM 0 HD2 ARG A 29 4.852 15.562 -16.649 1.00 2.55 H new ATOM 0 HD3 ARG A 29 5.952 14.287 -17.133 1.00 2.55 H new ATOM 0 HE ARG A 29 5.717 16.308 -19.211 1.00 3.35 H new ATOM 0 HH11 ARG A 29 7.172 15.636 -16.050 1.00 4.20 H new ATOM 0 HH12 ARG A 29 8.563 16.690 -16.324 1.00 4.20 H new ATOM 0 HH21 ARG A 29 7.545 17.641 -19.589 1.00 4.87 H new ATOM 0 HH22 ARG A 29 8.775 17.829 -18.335 1.00 4.87 H new ATOM 456 N LYS A 30 2.350 9.996 -17.597 1.00 1.26 N ATOM 457 CA LYS A 30 2.033 8.811 -16.804 1.00 1.13 C ATOM 458 C LYS A 30 2.875 8.609 -15.528 1.00 1.09 C ATOM 459 O LYS A 30 2.902 7.502 -14.994 1.00 1.55 O ATOM 460 CB LYS A 30 2.021 7.569 -17.712 1.00 1.52 C ATOM 461 CG LYS A 30 3.404 7.215 -18.269 1.00 1.83 C ATOM 462 CD LYS A 30 3.284 5.979 -19.167 1.00 2.57 C ATOM 463 CE LYS A 30 4.652 5.608 -19.756 1.00 3.16 C ATOM 464 NZ LYS A 30 4.607 4.313 -20.465 1.00 4.54 N ATOM 0 H LYS A 30 2.746 9.776 -18.511 1.00 1.26 H new ATOM 0 HA LYS A 30 1.035 8.979 -16.400 1.00 1.13 H new ATOM 0 HB2 LYS A 30 1.635 6.719 -17.149 1.00 1.52 H new ATOM 0 HB3 LYS A 30 1.335 7.740 -18.542 1.00 1.52 H new ATOM 0 HG2 LYS A 30 3.806 8.054 -18.837 1.00 1.83 H new ATOM 0 HG3 LYS A 30 4.099 7.020 -17.452 1.00 1.83 H new ATOM 0 HD2 LYS A 30 2.890 5.141 -18.592 1.00 2.57 H new ATOM 0 HD3 LYS A 30 2.576 6.174 -19.972 1.00 2.57 H new ATOM 0 HE2 LYS A 30 4.976 6.389 -20.444 1.00 3.16 H new ATOM 0 HE3 LYS A 30 5.392 5.560 -18.957 1.00 3.16 H new ATOM 0 HZ1 LYS A 30 5.486 4.182 -21.004 1.00 4.54 H new ATOM 0 HZ2 LYS A 30 4.506 3.542 -19.774 1.00 4.54 H new ATOM 0 HZ3 LYS A 30 3.796 4.302 -21.117 1.00 4.54 H new ATOM 478 N ASP A 31 3.539 9.649 -15.016 1.00 1.42 N ATOM 479 CA ASP A 31 4.056 9.718 -13.654 1.00 1.47 C ATOM 480 C ASP A 31 2.980 10.302 -12.725 1.00 1.30 C ATOM 481 O ASP A 31 2.894 9.917 -11.559 1.00 1.55 O ATOM 482 CB ASP A 31 5.334 10.578 -13.629 1.00 1.78 C ATOM 483 CG ASP A 31 5.098 12.029 -14.033 1.00 3.18 C ATOM 484 OD1 ASP A 31 4.124 12.260 -14.780 1.00 4.13 O ATOM 485 OD2 ASP A 31 5.894 12.890 -13.593 1.00 4.26 O ATOM 0 H ASP A 31 3.736 10.490 -15.558 1.00 1.42 H new ATOM 0 HA ASP A 31 4.309 8.718 -13.302 1.00 1.47 H new ATOM 0 HB2 ASP A 31 5.760 10.553 -12.626 1.00 1.78 H new ATOM 0 HB3 ASP A 31 6.072 10.138 -14.300 1.00 1.78 H new ATOM 490 N SER A 32 2.174 11.234 -13.242 1.00 1.21 N ATOM 491 CA SER A 32 1.220 12.011 -12.475 1.00 1.27 C ATOM 492 C SER A 32 -0.081 11.245 -12.295 1.00 0.98 C ATOM 493 O SER A 32 -0.704 10.889 -13.300 1.00 1.23 O ATOM 494 CB SER A 32 0.918 13.322 -13.225 1.00 2.05 C ATOM 495 OG SER A 32 0.223 13.106 -14.453 1.00 3.20 O ATOM 0 H SER A 32 2.174 11.469 -14.235 1.00 1.21 H new ATOM 0 HA SER A 32 1.650 12.217 -11.495 1.00 1.27 H new ATOM 0 HB2 SER A 32 0.323 13.973 -12.585 1.00 2.05 H new ATOM 0 HB3 SER A 32 1.853 13.843 -13.428 1.00 2.05 H new ATOM 501 N LEU A 33 -0.576 11.118 -11.066 1.00 0.90 N ATOM 502 CA LEU A 33 -2.012 10.984 -10.877 1.00 0.97 C ATOM 503 C LEU A 33 -2.595 12.390 -10.816 1.00 0.97 C ATOM 504 O LEU A 33 -2.133 13.249 -10.067 1.00 0.98 O ATOM 505 CB LEU A 33 -2.369 10.106 -9.678 1.00 1.09 C ATOM 506 CG LEU A 33 -2.525 8.629 -10.079 1.00 1.14 C ATOM 507 CD1 LEU A 33 -3.866 8.367 -10.768 1.00 1.69 C ATOM 508 CD2 LEU A 33 -1.366 8.131 -10.939 1.00 1.98 C ATOM 0 H LEU A 33 -0.020 11.105 -10.211 1.00 0.90 H new ATOM 0 HA LEU A 33 -2.460 10.452 -11.716 1.00 0.97 H new ATOM 0 HB2 LEU A 33 -1.593 10.196 -8.917 1.00 1.09 H new ATOM 0 HB3 LEU A 33 -3.297 10.461 -9.231 1.00 1.09 H new ATOM 0 HG LEU A 33 -2.506 8.058 -9.150 1.00 1.14 H new ATOM 0 HD11 LEU A 33 -3.938 7.313 -11.036 1.00 1.69 H new ATOM 0 HD12 LEU A 33 -4.680 8.626 -10.091 1.00 1.69 H new ATOM 0 HD13 LEU A 33 -3.937 8.976 -11.669 1.00 1.69 H new ATOM 0 HD21 LEU A 33 -1.526 7.083 -11.194 1.00 1.98 H new ATOM 0 HD22 LEU A 33 -1.311 8.722 -11.853 1.00 1.98 H new ATOM 0 HD23 LEU A 33 -0.433 8.231 -10.385 1.00 1.98 H new ATOM 520 N SER A 34 -3.546 12.639 -11.703 1.00 1.25 N ATOM 521 CA SER A 34 -4.150 13.925 -11.973 1.00 1.47 C ATOM 522 C SER A 34 -5.594 13.920 -11.453 1.00 1.37 C ATOM 523 O SER A 34 -6.065 12.918 -10.910 1.00 1.07 O ATOM 524 CB SER A 34 -4.036 14.148 -13.480 1.00 2.04 C ATOM 525 OG SER A 34 -2.688 13.945 -13.911 1.00 3.71 O ATOM 0 H SER A 34 -3.937 11.900 -12.287 1.00 1.25 H new ATOM 0 HA SER A 34 -3.654 14.751 -11.463 1.00 1.47 H new ATOM 0 HB2 SER A 34 -4.701 13.463 -14.007 1.00 2.04 H new ATOM 0 HB3 SER A 34 -4.357 15.159 -13.730 1.00 2.04 H new ATOM 531 N VAL A 35 -6.281 15.057 -11.545 1.00 1.71 N ATOM 532 CA VAL A 35 -7.543 15.258 -10.847 1.00 1.67 C ATOM 533 C VAL A 35 -8.621 14.290 -11.345 1.00 1.49 C ATOM 534 O VAL A 35 -9.292 13.647 -10.533 1.00 1.24 O ATOM 535 CB VAL A 35 -7.978 16.731 -10.960 1.00 2.12 C ATOM 536 CG1 VAL A 35 -9.316 16.972 -10.245 1.00 2.09 C ATOM 537 CG2 VAL A 35 -6.924 17.656 -10.334 1.00 2.69 C ATOM 0 H VAL A 35 -5.979 15.857 -12.101 1.00 1.71 H new ATOM 0 HA VAL A 35 -7.399 15.033 -9.790 1.00 1.67 H new ATOM 0 HB VAL A 35 -8.088 16.952 -12.022 1.00 2.12 H new ATOM 0 HG11 VAL A 35 -9.597 18.021 -10.342 1.00 2.09 H new ATOM 0 HG12 VAL A 35 -10.087 16.347 -10.695 1.00 2.09 H new ATOM 0 HG13 VAL A 35 -9.215 16.720 -9.189 1.00 2.09 H new ATOM 0 HG21 VAL A 35 -7.250 18.692 -10.424 1.00 2.69 H new ATOM 0 HG22 VAL A 35 -6.799 17.405 -9.281 1.00 2.69 H new ATOM 0 HG23 VAL A 35 -5.974 17.528 -10.852 1.00 2.69 H new ATOM 547 N ASN A 36 -8.809 14.191 -12.664 1.00 1.70 N ATOM 548 CA ASN A 36 -9.861 13.350 -13.209 1.00 1.62 C ATOM 549 C ASN A 36 -9.478 11.897 -12.977 1.00 1.41 C ATOM 550 O ASN A 36 -10.264 11.150 -12.403 1.00 1.28 O ATOM 551 CB ASN A 36 -10.125 13.654 -14.688 1.00 1.97 C ATOM 552 CG ASN A 36 -11.530 13.211 -15.079 1.00 1.69 C ATOM 553 OD1 ASN A 36 -12.488 13.956 -14.893 1.00 1.82 O ATOM 554 ND2 ASN A 36 -11.690 12.007 -15.613 1.00 2.28 N ATOM 0 H ASN A 36 -8.249 14.680 -13.362 1.00 1.70 H new ATOM 0 HA ASN A 36 -10.801 13.559 -12.698 1.00 1.62 H new ATOM 0 HB2 ASN A 36 -10.009 14.722 -14.873 1.00 1.97 H new ATOM 0 HB3 ASN A 36 -9.389 13.142 -15.308 1.00 1.97 H new ATOM 0 HD21 ASN A 36 -12.621 11.686 -15.877 1.00 2.28 H new ATOM 0 HD22 ASN A 36 -10.882 11.403 -15.760 1.00 2.28 H new ATOM 561 N GLU A 37 -8.239 11.537 -13.329 1.00 1.45 N ATOM 562 CA GLU A 37 -7.647 10.228 -13.064 1.00 1.39 C ATOM 563 C GLU A 37 -7.959 9.724 -11.657 1.00 1.14 C ATOM 564 O GLU A 37 -8.436 8.604 -11.478 1.00 1.17 O ATOM 565 CB GLU A 37 -6.132 10.326 -13.205 1.00 1.51 C ATOM 566 CG GLU A 37 -5.716 10.471 -14.661 1.00 1.05 C ATOM 567 CD GLU A 37 -4.261 10.882 -14.782 1.00 1.00 C ATOM 568 OE1 GLU A 37 -3.526 11.005 -13.783 1.00 1.81 O ATOM 569 OE2 GLU A 37 -3.769 11.240 -15.864 1.00 1.81 O ATOM 0 H GLU A 37 -7.605 12.168 -13.820 1.00 1.45 H new ATOM 0 HA GLU A 37 -8.073 9.528 -13.783 1.00 1.39 H new ATOM 0 HB2 GLU A 37 -5.767 11.180 -12.634 1.00 1.51 H new ATOM 0 HB3 GLU A 37 -5.668 9.436 -12.780 1.00 1.51 H new ATOM 0 HG2 GLU A 37 -5.873 9.527 -15.182 1.00 1.05 H new ATOM 0 HG3 GLU A 37 -6.347 11.213 -15.149 1.00 1.05 H new ATOM 576 N PHE A 38 -7.658 10.541 -10.643 1.00 0.98 N ATOM 577 CA PHE A 38 -7.973 10.191 -9.269 1.00 0.83 C ATOM 578 C PHE A 38 -9.447 9.781 -9.179 1.00 0.87 C ATOM 579 O PHE A 38 -9.758 8.665 -8.756 1.00 0.83 O ATOM 580 CB PHE A 38 -7.623 11.357 -8.331 1.00 0.85 C ATOM 581 CG PHE A 38 -7.360 11.011 -6.873 1.00 0.78 C ATOM 582 CD1 PHE A 38 -7.888 9.851 -6.269 1.00 1.87 C ATOM 583 CD2 PHE A 38 -6.517 11.850 -6.121 1.00 1.96 C ATOM 584 CE1 PHE A 38 -7.639 9.579 -4.917 1.00 1.97 C ATOM 585 CE2 PHE A 38 -6.161 11.502 -4.807 1.00 2.45 C ATOM 586 CZ PHE A 38 -6.744 10.381 -4.196 1.00 1.81 C ATOM 0 H PHE A 38 -7.198 11.445 -10.755 1.00 0.98 H new ATOM 0 HA PHE A 38 -7.372 9.340 -8.947 1.00 0.83 H new ATOM 0 HB2 PHE A 38 -6.739 11.857 -8.726 1.00 0.85 H new ATOM 0 HB3 PHE A 38 -8.439 12.078 -8.367 1.00 0.85 H new ATOM 0 HD1 PHE A 38 -8.488 9.168 -6.852 1.00 1.87 H new ATOM 0 HD2 PHE A 38 -6.142 12.765 -6.555 1.00 1.96 H new ATOM 0 HE1 PHE A 38 -8.136 8.752 -4.431 1.00 1.97 H new ATOM 0 HE2 PHE A 38 -5.439 12.097 -4.267 1.00 2.45 H new ATOM 0 HZ PHE A 38 -6.503 10.137 -3.172 1.00 1.81 H new ATOM 596 N LYS A 39 -10.361 10.656 -9.611 1.00 1.03 N ATOM 597 CA LYS A 39 -11.776 10.335 -9.535 1.00 1.16 C ATOM 598 C LYS A 39 -12.113 9.055 -10.317 1.00 1.17 C ATOM 599 O LYS A 39 -12.902 8.240 -9.835 1.00 1.17 O ATOM 600 CB LYS A 39 -12.666 11.533 -9.885 1.00 1.35 C ATOM 601 CG LYS A 39 -14.103 11.256 -9.401 1.00 1.45 C ATOM 602 CD LYS A 39 -14.995 12.506 -9.424 1.00 1.75 C ATOM 603 CE LYS A 39 -14.739 13.409 -8.204 1.00 1.72 C ATOM 604 NZ LYS A 39 -15.614 14.600 -8.196 1.00 2.78 N ATOM 0 H LYS A 39 -10.146 11.571 -10.008 1.00 1.03 H new ATOM 0 HA LYS A 39 -12.006 10.111 -8.493 1.00 1.16 H new ATOM 0 HB2 LYS A 39 -12.280 12.438 -9.416 1.00 1.35 H new ATOM 0 HB3 LYS A 39 -12.659 11.704 -10.961 1.00 1.35 H new ATOM 0 HG2 LYS A 39 -14.550 10.486 -10.029 1.00 1.45 H new ATOM 0 HG3 LYS A 39 -14.069 10.859 -8.386 1.00 1.45 H new ATOM 0 HD2 LYS A 39 -14.810 13.069 -10.339 1.00 1.75 H new ATOM 0 HD3 LYS A 39 -16.043 12.206 -9.441 1.00 1.75 H new ATOM 0 HE2 LYS A 39 -14.900 12.836 -7.291 1.00 1.72 H new ATOM 0 HE3 LYS A 39 -13.696 13.727 -8.202 1.00 1.72 H new ATOM 0 HZ1 LYS A 39 -15.406 15.178 -7.357 1.00 2.78 H new ATOM 0 HZ2 LYS A 39 -15.443 15.162 -9.054 1.00 2.78 H new ATOM 0 HZ3 LYS A 39 -16.609 14.299 -8.171 1.00 2.78 H new ATOM 618 N GLU A 40 -11.503 8.840 -11.485 1.00 1.24 N ATOM 619 CA GLU A 40 -11.691 7.625 -12.266 1.00 1.32 C ATOM 620 C GLU A 40 -11.394 6.369 -11.442 1.00 1.20 C ATOM 621 O GLU A 40 -12.116 5.386 -11.581 1.00 1.29 O ATOM 622 CB GLU A 40 -10.836 7.621 -13.539 1.00 1.42 C ATOM 623 CG GLU A 40 -11.219 8.707 -14.551 1.00 1.61 C ATOM 624 CD GLU A 40 -10.127 8.897 -15.599 1.00 2.25 C ATOM 625 OE1 GLU A 40 -9.546 7.877 -16.029 1.00 3.20 O ATOM 626 OE2 GLU A 40 -9.885 10.069 -15.957 1.00 2.47 O ATOM 0 H GLU A 40 -10.863 9.509 -11.913 1.00 1.24 H new ATOM 0 HA GLU A 40 -12.741 7.612 -12.557 1.00 1.32 H new ATOM 0 HB2 GLU A 40 -9.790 7.750 -13.262 1.00 1.42 H new ATOM 0 HB3 GLU A 40 -10.921 6.646 -14.018 1.00 1.42 H new ATOM 0 HG2 GLU A 40 -12.154 8.437 -15.042 1.00 1.61 H new ATOM 0 HG3 GLU A 40 -11.393 9.648 -14.029 1.00 1.61 H new ATOM 633 N LEU A 41 -10.369 6.380 -10.581 1.00 1.04 N ATOM 634 CA LEU A 41 -10.002 5.192 -9.814 1.00 0.98 C ATOM 635 C LEU A 41 -11.195 4.819 -8.945 1.00 0.93 C ATOM 636 O LEU A 41 -11.703 3.697 -8.983 1.00 0.96 O ATOM 637 CB LEU A 41 -8.748 5.477 -8.958 1.00 0.91 C ATOM 638 CG LEU A 41 -8.099 4.262 -8.254 1.00 1.02 C ATOM 639 CD1 LEU A 41 -8.997 3.534 -7.249 1.00 2.48 C ATOM 640 CD2 LEU A 41 -7.511 3.280 -9.266 1.00 1.62 C ATOM 0 H LEU A 41 -9.784 7.196 -10.401 1.00 1.04 H new ATOM 0 HA LEU A 41 -9.756 4.362 -10.476 1.00 0.98 H new ATOM 0 HB2 LEU A 41 -7.997 5.941 -9.598 1.00 0.91 H new ATOM 0 HB3 LEU A 41 -9.015 6.210 -8.196 1.00 0.91 H new ATOM 0 HG LEU A 41 -7.295 4.693 -7.657 1.00 1.02 H new ATOM 0 HD11 LEU A 41 -8.450 2.699 -6.811 1.00 2.48 H new ATOM 0 HD12 LEU A 41 -9.296 4.225 -6.461 1.00 2.48 H new ATOM 0 HD13 LEU A 41 -9.884 3.159 -7.759 1.00 2.48 H new ATOM 0 HD21 LEU A 41 -7.063 2.438 -8.738 1.00 1.62 H new ATOM 0 HD22 LEU A 41 -8.302 2.917 -9.923 1.00 1.62 H new ATOM 0 HD23 LEU A 41 -6.748 3.783 -9.860 1.00 1.62 H new ATOM 652 N VAL A 42 -11.649 5.807 -8.172 1.00 0.91 N ATOM 653 CA VAL A 42 -12.635 5.606 -7.130 1.00 0.91 C ATOM 654 C VAL A 42 -13.986 5.272 -7.753 1.00 1.05 C ATOM 655 O VAL A 42 -14.696 4.380 -7.293 1.00 1.14 O ATOM 656 CB VAL A 42 -12.660 6.799 -6.158 1.00 0.91 C ATOM 657 CG1 VAL A 42 -11.374 6.846 -5.319 1.00 0.84 C ATOM 658 CG2 VAL A 42 -12.856 8.163 -6.811 1.00 1.06 C ATOM 0 H VAL A 42 -11.335 6.774 -8.259 1.00 0.91 H new ATOM 0 HA VAL A 42 -12.361 4.747 -6.517 1.00 0.91 H new ATOM 0 HB VAL A 42 -13.537 6.618 -5.537 1.00 0.91 H new ATOM 0 HG11 VAL A 42 -11.414 7.697 -4.639 1.00 0.84 H new ATOM 0 HG12 VAL A 42 -11.282 5.925 -4.743 1.00 0.84 H new ATOM 0 HG13 VAL A 42 -10.513 6.949 -5.979 1.00 0.84 H new ATOM 0 HG21 VAL A 42 -12.859 8.937 -6.043 1.00 1.06 H new ATOM 0 HG22 VAL A 42 -12.043 8.351 -7.512 1.00 1.06 H new ATOM 0 HG23 VAL A 42 -13.806 8.178 -7.345 1.00 1.06 H new ATOM 668 N THR A 43 -14.308 5.973 -8.838 1.00 1.16 N ATOM 669 CA THR A 43 -15.492 5.736 -9.639 1.00 1.37 C ATOM 670 C THR A 43 -15.484 4.313 -10.205 1.00 1.41 C ATOM 671 O THR A 43 -16.476 3.597 -10.089 1.00 1.53 O ATOM 672 CB THR A 43 -15.518 6.794 -10.748 1.00 1.59 C ATOM 673 OG1 THR A 43 -15.585 8.076 -10.160 1.00 1.62 O ATOM 674 CG2 THR A 43 -16.714 6.638 -11.693 1.00 1.90 C ATOM 0 H THR A 43 -13.733 6.740 -9.188 1.00 1.16 H new ATOM 0 HA THR A 43 -16.394 5.821 -9.034 1.00 1.37 H new ATOM 0 HB THR A 43 -14.609 6.664 -11.335 1.00 1.59 H new ATOM 0 HG1 THR A 43 -14.680 8.386 -9.948 1.00 1.62 H new ATOM 0 HG21 THR A 43 -16.678 7.415 -12.457 1.00 1.90 H new ATOM 0 HG22 THR A 43 -16.676 5.659 -12.170 1.00 1.90 H new ATOM 0 HG23 THR A 43 -17.640 6.729 -11.126 1.00 1.90 H new ATOM 682 N GLN A 44 -14.389 3.917 -10.860 1.00 1.37 N ATOM 683 CA GLN A 44 -14.338 2.676 -11.613 1.00 1.50 C ATOM 684 C GLN A 44 -14.257 1.470 -10.676 1.00 1.41 C ATOM 685 O GLN A 44 -15.087 0.567 -10.771 1.00 1.49 O ATOM 686 CB GLN A 44 -13.161 2.718 -12.596 1.00 1.65 C ATOM 687 CG GLN A 44 -13.228 1.547 -13.586 1.00 1.90 C ATOM 688 CD GLN A 44 -11.912 1.400 -14.329 1.00 2.25 C ATOM 689 OE1 GLN A 44 -11.232 0.387 -14.211 1.00 3.23 O ATOM 690 NE2 GLN A 44 -11.516 2.429 -15.069 1.00 2.07 N ATOM 0 H GLN A 44 -13.520 4.450 -10.879 1.00 1.37 H new ATOM 0 HA GLN A 44 -15.258 2.567 -12.187 1.00 1.50 H new ATOM 0 HB2 GLN A 44 -13.172 3.661 -13.142 1.00 1.65 H new ATOM 0 HB3 GLN A 44 -12.221 2.680 -12.045 1.00 1.65 H new ATOM 0 HG2 GLN A 44 -13.455 0.625 -13.052 1.00 1.90 H new ATOM 0 HG3 GLN A 44 -14.037 1.711 -14.298 1.00 1.90 H new ATOM 0 HE21 GLN A 44 -12.105 3.258 -15.147 1.00 2.07 H new ATOM 0 HE22 GLN A 44 -10.623 2.390 -15.560 1.00 2.07 H new ATOM 699 N GLN A 45 -13.242 1.425 -9.807 1.00 1.34 N ATOM 700 CA GLN A 45 -13.024 0.296 -8.908 1.00 1.43 C ATOM 701 C GLN A 45 -12.670 0.754 -7.492 1.00 1.54 C ATOM 702 O GLN A 45 -11.570 0.482 -7.014 1.00 2.86 O ATOM 703 CB GLN A 45 -11.907 -0.619 -9.429 1.00 1.86 C ATOM 704 CG GLN A 45 -12.209 -1.443 -10.684 1.00 2.18 C ATOM 705 CD GLN A 45 -11.169 -2.556 -10.848 1.00 3.01 C ATOM 706 OE1 GLN A 45 -10.355 -2.787 -9.954 1.00 4.07 O ATOM 707 NE2 GLN A 45 -11.202 -3.272 -11.966 1.00 3.41 N ATOM 0 H GLN A 45 -12.552 2.170 -9.710 1.00 1.34 H new ATOM 0 HA GLN A 45 -13.963 -0.257 -8.874 1.00 1.43 H new ATOM 0 HB2 GLN A 45 -11.031 -0.002 -9.632 1.00 1.86 H new ATOM 0 HB3 GLN A 45 -11.633 -1.308 -8.630 1.00 1.86 H new ATOM 0 HG2 GLN A 45 -13.207 -1.875 -10.613 1.00 2.18 H new ATOM 0 HG3 GLN A 45 -12.203 -0.797 -11.562 1.00 2.18 H new ATOM 0 HE21 GLN A 45 -11.888 -3.057 -12.689 1.00 3.41 H new ATOM 0 HE22 GLN A 45 -10.541 -4.037 -12.101 1.00 3.41 H new ATOM 716 N LEU A 46 -13.613 1.367 -6.771 1.00 0.94 N ATOM 717 CA LEU A 46 -13.499 1.464 -5.319 1.00 0.97 C ATOM 718 C LEU A 46 -14.882 1.641 -4.666 1.00 1.18 C ATOM 719 O LEU A 46 -15.109 2.610 -3.942 1.00 1.56 O ATOM 720 CB LEU A 46 -12.492 2.576 -4.979 1.00 0.98 C ATOM 721 CG LEU A 46 -11.588 2.221 -3.797 1.00 1.15 C ATOM 722 CD1 LEU A 46 -10.544 1.156 -4.174 1.00 1.56 C ATOM 723 CD2 LEU A 46 -10.852 3.493 -3.382 1.00 1.80 C ATOM 0 H LEU A 46 -14.450 1.796 -7.164 1.00 0.94 H new ATOM 0 HA LEU A 46 -13.112 0.536 -4.898 1.00 0.97 H new ATOM 0 HB2 LEU A 46 -11.874 2.779 -5.854 1.00 0.98 H new ATOM 0 HB3 LEU A 46 -13.035 3.493 -4.752 1.00 0.98 H new ATOM 0 HG LEU A 46 -12.203 1.819 -2.992 1.00 1.15 H new ATOM 0 HD11 LEU A 46 -9.923 0.933 -3.307 1.00 1.56 H new ATOM 0 HD12 LEU A 46 -11.052 0.248 -4.500 1.00 1.56 H new ATOM 0 HD13 LEU A 46 -9.917 1.531 -4.983 1.00 1.56 H new ATOM 0 HD21 LEU A 46 -10.196 3.275 -2.539 1.00 1.80 H new ATOM 0 HD22 LEU A 46 -10.257 3.859 -4.219 1.00 1.80 H new ATOM 0 HD23 LEU A 46 -11.576 4.254 -3.092 1.00 1.80 H new ATOM 735 N PRO A 47 -15.823 0.713 -4.921 1.00 1.08 N ATOM 736 CA PRO A 47 -17.217 0.850 -4.541 1.00 1.28 C ATOM 737 C PRO A 47 -17.412 0.917 -3.027 1.00 1.41 C ATOM 738 O PRO A 47 -17.962 1.904 -2.549 1.00 1.85 O ATOM 739 CB PRO A 47 -17.952 -0.338 -5.173 1.00 1.31 C ATOM 740 CG PRO A 47 -16.858 -1.387 -5.361 1.00 1.17 C ATOM 741 CD PRO A 47 -15.623 -0.534 -5.637 1.00 1.00 C ATOM 0 HA PRO A 47 -17.622 1.795 -4.904 1.00 1.28 H new ATOM 0 HB2 PRO A 47 -18.750 -0.704 -4.527 1.00 1.31 H new ATOM 0 HB3 PRO A 47 -18.411 -0.065 -6.123 1.00 1.31 H new ATOM 0 HG2 PRO A 47 -16.733 -2.006 -4.473 1.00 1.17 H new ATOM 0 HG3 PRO A 47 -17.079 -2.060 -6.190 1.00 1.17 H new ATOM 0 HD2 PRO A 47 -14.718 -1.038 -5.296 1.00 1.00 H new ATOM 0 HD3 PRO A 47 -15.505 -0.355 -6.706 1.00 1.00 H new ATOM 749 N HIS A 48 -17.029 -0.121 -2.268 1.00 1.32 N ATOM 750 CA HIS A 48 -17.356 -0.154 -0.846 1.00 1.44 C ATOM 751 C HIS A 48 -16.313 0.621 -0.042 1.00 1.34 C ATOM 752 O HIS A 48 -16.686 1.453 0.793 1.00 1.97 O ATOM 753 CB HIS A 48 -17.554 -1.585 -0.323 1.00 1.91 C ATOM 754 CG HIS A 48 -18.163 -1.627 1.066 1.00 2.57 C ATOM 755 ND1 HIS A 48 -18.358 -0.543 1.892 1.00 3.57 N ATOM 756 CD2 HIS A 48 -18.697 -2.721 1.697 1.00 3.26 C ATOM 757 CE1 HIS A 48 -19.000 -0.975 2.990 1.00 3.91 C ATOM 758 NE2 HIS A 48 -19.225 -2.301 2.930 1.00 3.66 N ATOM 0 H HIS A 48 -16.506 -0.927 -2.610 1.00 1.32 H new ATOM 0 HA HIS A 48 -18.317 0.342 -0.713 1.00 1.44 H new ATOM 0 HB2 HIS A 48 -18.196 -2.133 -1.013 1.00 1.91 H new ATOM 0 HB3 HIS A 48 -16.592 -2.097 -0.308 1.00 1.91 H new ATOM 0 HD1 HIS A 48 -18.067 0.416 1.704 1.00 3.57 H new ATOM 0 HD2 HIS A 48 -18.710 -3.730 1.313 1.00 3.26 H new ATOM 0 HE1 HIS A 48 -19.297 -0.342 3.813 1.00 3.91 H new ATOM 766 N LEU A 49 -15.032 0.302 -0.253 1.00 1.26 N ATOM 767 CA LEU A 49 -13.885 0.790 0.499 1.00 1.21 C ATOM 768 C LEU A 49 -14.065 2.209 1.031 1.00 1.10 C ATOM 769 O LEU A 49 -14.066 2.415 2.248 1.00 1.47 O ATOM 770 CB LEU A 49 -12.607 0.688 -0.344 1.00 1.25 C ATOM 771 CG LEU A 49 -11.465 0.112 0.498 1.00 1.18 C ATOM 772 CD1 LEU A 49 -11.515 -1.413 0.498 1.00 1.11 C ATOM 773 CD2 LEU A 49 -10.139 0.503 -0.128 1.00 1.54 C ATOM 0 H LEU A 49 -14.759 -0.340 -0.997 1.00 1.26 H new ATOM 0 HA LEU A 49 -13.796 0.146 1.374 1.00 1.21 H new ATOM 0 HB2 LEU A 49 -12.785 0.054 -1.212 1.00 1.25 H new ATOM 0 HB3 LEU A 49 -12.331 1.673 -0.720 1.00 1.25 H new ATOM 0 HG LEU A 49 -11.565 0.498 1.513 1.00 1.18 H new ATOM 0 HD11 LEU A 49 -10.696 -1.804 1.101 1.00 1.11 H new ATOM 0 HD12 LEU A 49 -12.465 -1.746 0.916 1.00 1.11 H new ATOM 0 HD13 LEU A 49 -11.420 -1.780 -0.524 1.00 1.11 H new ATOM 0 HD21 LEU A 49 -9.322 0.096 0.467 1.00 1.54 H new ATOM 0 HD22 LEU A 49 -10.084 0.105 -1.141 1.00 1.54 H new ATOM 0 HD23 LEU A 49 -10.058 1.590 -0.160 1.00 1.54 H new ATOM 785 N LEU A 50 -14.221 3.165 0.114 1.00 0.93 N ATOM 786 CA LEU A 50 -14.388 4.579 0.403 1.00 1.01 C ATOM 787 C LEU A 50 -15.663 5.063 -0.281 1.00 1.16 C ATOM 788 O LEU A 50 -15.649 6.048 -1.014 1.00 2.06 O ATOM 789 CB LEU A 50 -13.149 5.356 -0.075 1.00 1.01 C ATOM 790 CG LEU A 50 -11.858 4.970 0.667 1.00 1.02 C ATOM 791 CD1 LEU A 50 -10.666 5.672 0.002 1.00 1.23 C ATOM 792 CD2 LEU A 50 -11.914 5.378 2.145 1.00 1.25 C ATOM 0 H LEU A 50 -14.234 2.962 -0.886 1.00 0.93 H new ATOM 0 HA LEU A 50 -14.483 4.748 1.476 1.00 1.01 H new ATOM 0 HB2 LEU A 50 -13.011 5.183 -1.142 1.00 1.01 H new ATOM 0 HB3 LEU A 50 -13.327 6.424 0.054 1.00 1.01 H new ATOM 0 HG LEU A 50 -11.748 3.887 0.614 1.00 1.02 H new ATOM 0 HD11 LEU A 50 -9.748 5.402 0.524 1.00 1.23 H new ATOM 0 HD12 LEU A 50 -10.596 5.361 -1.040 1.00 1.23 H new ATOM 0 HD13 LEU A 50 -10.807 6.752 0.050 1.00 1.23 H new ATOM 0 HD21 LEU A 50 -10.985 5.090 2.637 1.00 1.25 H new ATOM 0 HD22 LEU A 50 -12.044 6.458 2.220 1.00 1.25 H new ATOM 0 HD23 LEU A 50 -12.752 4.877 2.629 1.00 1.25 H new ATOM 804 N LYS A 51 -16.783 4.389 0.000 1.00 1.24 N ATOM 805 CA LYS A 51 -18.088 4.628 -0.627 1.00 1.62 C ATOM 806 C LYS A 51 -18.650 6.061 -0.544 1.00 1.99 C ATOM 807 O LYS A 51 -19.784 6.281 -0.971 1.00 3.68 O ATOM 808 CB LYS A 51 -19.118 3.606 -0.104 1.00 2.11 C ATOM 809 CG LYS A 51 -19.336 3.548 1.418 1.00 2.35 C ATOM 810 CD LYS A 51 -20.072 4.738 2.050 1.00 2.89 C ATOM 811 CE LYS A 51 -21.515 4.945 1.546 1.00 4.09 C ATOM 812 NZ LYS A 51 -21.697 6.250 0.877 1.00 5.14 N ATOM 0 H LYS A 51 -16.808 3.639 0.691 1.00 1.24 H new ATOM 0 HA LYS A 51 -17.902 4.493 -1.692 1.00 1.62 H new ATOM 0 HB2 LYS A 51 -20.077 3.821 -0.575 1.00 2.11 H new ATOM 0 HB3 LYS A 51 -18.812 2.615 -0.440 1.00 2.11 H new ATOM 0 HG2 LYS A 51 -19.894 2.640 1.648 1.00 2.35 H new ATOM 0 HG3 LYS A 51 -18.362 3.455 1.899 1.00 2.35 H new ATOM 0 HD2 LYS A 51 -20.095 4.601 3.131 1.00 2.89 H new ATOM 0 HD3 LYS A 51 -19.500 5.646 1.856 1.00 2.89 H new ATOM 0 HE2 LYS A 51 -21.773 4.145 0.852 1.00 4.09 H new ATOM 0 HE3 LYS A 51 -22.205 4.872 2.387 1.00 4.09 H new ATOM 0 HZ1 LYS A 51 -22.700 6.378 0.632 1.00 5.14 H new ATOM 0 HZ2 LYS A 51 -21.397 7.013 1.517 1.00 5.14 H new ATOM 0 HZ3 LYS A 51 -21.123 6.279 0.010 1.00 5.14 H new ATOM 826 N ASP A 52 -17.927 7.036 0.013 1.00 1.53 N ATOM 827 CA ASP A 52 -18.334 8.428 0.133 1.00 1.73 C ATOM 828 C ASP A 52 -17.474 9.240 -0.839 1.00 1.51 C ATOM 829 O ASP A 52 -16.953 10.307 -0.510 1.00 1.73 O ATOM 830 CB ASP A 52 -18.194 8.886 1.596 1.00 2.15 C ATOM 831 CG ASP A 52 -19.142 8.156 2.537 1.00 3.72 C ATOM 832 OD1 ASP A 52 -20.342 8.054 2.197 1.00 4.60 O ATOM 833 OD2 ASP A 52 -18.665 7.639 3.572 1.00 4.80 O ATOM 0 H ASP A 52 -17.003 6.863 0.408 1.00 1.53 H new ATOM 0 HA ASP A 52 -19.382 8.573 -0.129 1.00 1.73 H new ATOM 0 HB2 ASP A 52 -17.167 8.725 1.925 1.00 2.15 H new ATOM 0 HB3 ASP A 52 -18.384 9.958 1.656 1.00 2.15 H new ATOM 838 N VAL A 53 -17.357 8.724 -2.070 1.00 1.32 N ATOM 839 CA VAL A 53 -16.535 9.267 -3.149 1.00 1.26 C ATOM 840 C VAL A 53 -16.871 10.728 -3.466 1.00 1.30 C ATOM 841 O VAL A 53 -16.069 11.432 -4.076 1.00 1.57 O ATOM 842 CB VAL A 53 -16.642 8.381 -4.406 1.00 1.21 C ATOM 843 CG1 VAL A 53 -16.151 6.955 -4.125 1.00 2.07 C ATOM 844 CG2 VAL A 53 -18.069 8.327 -4.970 1.00 1.70 C ATOM 0 H VAL A 53 -17.857 7.879 -2.349 1.00 1.32 H new ATOM 0 HA VAL A 53 -15.501 9.258 -2.804 1.00 1.26 H new ATOM 0 HB VAL A 53 -16.001 8.844 -5.156 1.00 1.21 H new ATOM 0 HG11 VAL A 53 -16.239 6.355 -5.031 1.00 2.07 H new ATOM 0 HG12 VAL A 53 -15.108 6.985 -3.809 1.00 2.07 H new ATOM 0 HG13 VAL A 53 -16.757 6.511 -3.335 1.00 2.07 H new ATOM 0 HG21 VAL A 53 -18.087 7.690 -5.854 1.00 1.70 H new ATOM 0 HG22 VAL A 53 -18.743 7.921 -4.216 1.00 1.70 H new ATOM 0 HG23 VAL A 53 -18.391 9.332 -5.241 1.00 1.70 H new ATOM 854 N GLY A 54 -18.040 11.202 -3.026 1.00 1.28 N ATOM 855 CA GLY A 54 -18.368 12.619 -3.030 1.00 1.39 C ATOM 856 C GLY A 54 -17.192 13.454 -2.513 1.00 1.35 C ATOM 857 O GLY A 54 -16.821 14.447 -3.135 1.00 1.43 O ATOM 0 H GLY A 54 -18.783 10.608 -2.658 1.00 1.28 H new ATOM 0 HA2 GLY A 54 -18.626 12.934 -4.041 1.00 1.39 H new ATOM 0 HA3 GLY A 54 -19.245 12.795 -2.408 1.00 1.39 H new ATOM 861 N SER A 55 -16.568 13.017 -1.411 1.00 1.43 N ATOM 862 CA SER A 55 -15.458 13.735 -0.791 1.00 1.47 C ATOM 863 C SER A 55 -14.095 13.262 -1.322 1.00 1.31 C ATOM 864 O SER A 55 -13.085 13.318 -0.618 1.00 1.35 O ATOM 865 CB SER A 55 -15.574 13.626 0.736 1.00 1.74 C ATOM 866 OG SER A 55 -14.949 14.735 1.350 1.00 2.25 O ATOM 0 H SER A 55 -16.822 12.155 -0.928 1.00 1.43 H new ATOM 0 HA SER A 55 -15.520 14.789 -1.063 1.00 1.47 H new ATOM 0 HB2 SER A 55 -16.624 13.583 1.027 1.00 1.74 H new ATOM 0 HB3 SER A 55 -15.110 12.701 1.079 1.00 1.74 H new ATOM 0 HG SER A 55 -15.029 14.658 2.324 1.00 2.25 H new ATOM 872 N LEU A 56 -14.039 12.837 -2.590 1.00 1.34 N ATOM 873 CA LEU A 56 -12.794 12.602 -3.294 1.00 1.20 C ATOM 874 C LEU A 56 -11.913 13.849 -3.189 1.00 1.15 C ATOM 875 O LEU A 56 -10.729 13.734 -2.897 1.00 1.10 O ATOM 876 CB LEU A 56 -13.150 12.222 -4.736 1.00 1.25 C ATOM 877 CG LEU A 56 -11.985 11.948 -5.689 1.00 1.17 C ATOM 878 CD1 LEU A 56 -11.315 13.231 -6.187 1.00 1.14 C ATOM 879 CD2 LEU A 56 -10.978 10.990 -5.057 1.00 1.29 C ATOM 0 H LEU A 56 -14.869 12.648 -3.152 1.00 1.34 H new ATOM 0 HA LEU A 56 -12.216 11.785 -2.861 1.00 1.20 H new ATOM 0 HB2 LEU A 56 -13.780 11.333 -4.707 1.00 1.25 H new ATOM 0 HB3 LEU A 56 -13.752 13.026 -5.159 1.00 1.25 H new ATOM 0 HG LEU A 56 -12.402 11.464 -6.572 1.00 1.17 H new ATOM 0 HD11 LEU A 56 -10.496 12.976 -6.859 1.00 1.14 H new ATOM 0 HD12 LEU A 56 -12.046 13.840 -6.720 1.00 1.14 H new ATOM 0 HD13 LEU A 56 -10.926 13.792 -5.337 1.00 1.14 H new ATOM 0 HD21 LEU A 56 -10.159 10.811 -5.754 1.00 1.29 H new ATOM 0 HD22 LEU A 56 -10.585 11.429 -4.140 1.00 1.29 H new ATOM 0 HD23 LEU A 56 -11.470 10.046 -4.825 1.00 1.29 H new ATOM 891 N ASP A 57 -12.513 15.033 -3.377 1.00 1.32 N ATOM 892 CA ASP A 57 -11.894 16.334 -3.133 1.00 1.42 C ATOM 893 C ASP A 57 -11.038 16.321 -1.862 1.00 1.37 C ATOM 894 O ASP A 57 -9.840 16.609 -1.895 1.00 1.45 O ATOM 895 CB ASP A 57 -13.005 17.391 -3.024 1.00 1.74 C ATOM 896 CG ASP A 57 -12.519 18.642 -2.303 1.00 2.44 C ATOM 897 OD1 ASP A 57 -11.581 19.284 -2.811 1.00 3.51 O ATOM 898 OD2 ASP A 57 -13.043 18.906 -1.199 1.00 3.55 O ATOM 0 H ASP A 57 -13.473 15.109 -3.714 1.00 1.32 H new ATOM 0 HA ASP A 57 -11.229 16.573 -3.963 1.00 1.42 H new ATOM 0 HB2 ASP A 57 -13.354 17.658 -4.022 1.00 1.74 H new ATOM 0 HB3 ASP A 57 -13.857 16.970 -2.490 1.00 1.74 H new ATOM 903 N GLU A 58 -11.657 15.976 -0.731 1.00 1.33 N ATOM 904 CA GLU A 58 -10.951 15.971 0.532 1.00 1.37 C ATOM 905 C GLU A 58 -9.780 15.001 0.477 1.00 1.22 C ATOM 906 O GLU A 58 -8.650 15.358 0.815 1.00 1.33 O ATOM 907 CB GLU A 58 -11.891 15.651 1.698 1.00 1.43 C ATOM 908 CG GLU A 58 -11.118 15.769 3.022 1.00 1.88 C ATOM 909 CD GLU A 58 -10.565 17.175 3.241 1.00 3.88 C ATOM 910 OE1 GLU A 58 -11.266 18.135 2.842 1.00 4.82 O ATOM 911 OE2 GLU A 58 -9.420 17.274 3.725 1.00 5.26 O ATOM 0 H GLU A 58 -12.637 15.700 -0.673 1.00 1.33 H new ATOM 0 HA GLU A 58 -10.557 16.972 0.707 1.00 1.37 H new ATOM 0 HB2 GLU A 58 -12.738 16.337 1.696 1.00 1.43 H new ATOM 0 HB3 GLU A 58 -12.295 14.645 1.588 1.00 1.43 H new ATOM 0 HG2 GLU A 58 -11.776 15.506 3.850 1.00 1.88 H new ATOM 0 HG3 GLU A 58 -10.297 15.052 3.027 1.00 1.88 H new ATOM 918 N LYS A 59 -10.032 13.758 0.060 1.00 1.03 N ATOM 919 CA LYS A 59 -8.946 12.803 0.010 1.00 0.93 C ATOM 920 C LYS A 59 -7.808 13.325 -0.875 1.00 0.90 C ATOM 921 O LYS A 59 -6.645 13.220 -0.497 1.00 0.91 O ATOM 922 CB LYS A 59 -9.442 11.396 -0.332 1.00 0.91 C ATOM 923 CG LYS A 59 -8.574 10.299 0.315 1.00 1.94 C ATOM 924 CD LYS A 59 -8.838 10.040 1.819 1.00 2.68 C ATOM 925 CE LYS A 59 -8.041 10.846 2.872 1.00 3.89 C ATOM 926 NZ LYS A 59 -6.573 10.672 2.770 1.00 6.36 N ATOM 0 H LYS A 59 -10.943 13.408 -0.235 1.00 1.03 H new ATOM 0 HA LYS A 59 -8.514 12.698 1.005 1.00 0.93 H new ATOM 0 HB2 LYS A 59 -10.473 11.285 0.002 1.00 0.91 H new ATOM 0 HB3 LYS A 59 -9.442 11.266 -1.414 1.00 0.91 H new ATOM 0 HG2 LYS A 59 -8.731 9.368 -0.229 1.00 1.94 H new ATOM 0 HG3 LYS A 59 -7.525 10.569 0.189 1.00 1.94 H new ATOM 0 HD2 LYS A 59 -9.898 10.218 2.002 1.00 2.68 H new ATOM 0 HD3 LYS A 59 -8.655 8.982 2.007 1.00 2.68 H new ATOM 0 HE2 LYS A 59 -8.281 11.904 2.765 1.00 3.89 H new ATOM 0 HE3 LYS A 59 -8.365 10.545 3.868 1.00 3.89 H new ATOM 0 HZ1 LYS A 59 -6.098 11.550 3.062 1.00 6.36 H new ATOM 0 HZ2 LYS A 59 -6.272 9.893 3.390 1.00 6.36 H new ATOM 0 HZ3 LYS A 59 -6.317 10.451 1.787 1.00 6.36 H new ATOM 940 N MET A 60 -8.131 13.961 -1.998 1.00 0.91 N ATOM 941 CA MET A 60 -7.141 14.567 -2.874 1.00 0.92 C ATOM 942 C MET A 60 -6.302 15.593 -2.112 1.00 1.01 C ATOM 943 O MET A 60 -5.077 15.450 -2.048 1.00 0.96 O ATOM 944 CB MET A 60 -7.813 15.115 -4.144 1.00 1.11 C ATOM 945 CG MET A 60 -6.826 15.859 -5.052 1.00 1.08 C ATOM 946 SD MET A 60 -6.580 17.612 -4.660 1.00 1.46 S ATOM 947 CE MET A 60 -5.237 18.013 -5.794 1.00 1.51 C ATOM 0 H MET A 60 -9.091 14.069 -2.324 1.00 0.91 H new ATOM 0 HA MET A 60 -6.435 13.810 -3.215 1.00 0.92 H new ATOM 0 HB2 MET A 60 -8.263 14.291 -4.698 1.00 1.11 H new ATOM 0 HB3 MET A 60 -8.622 15.789 -3.862 1.00 1.11 H new ATOM 0 HG2 MET A 60 -5.861 15.354 -5.002 1.00 1.08 H new ATOM 0 HG3 MET A 60 -7.175 15.780 -6.082 1.00 1.08 H new ATOM 0 HE1 MET A 60 -4.964 19.062 -5.679 1.00 1.51 H new ATOM 0 HE2 MET A 60 -4.373 17.387 -5.571 1.00 1.51 H new ATOM 0 HE3 MET A 60 -5.560 17.833 -6.819 1.00 1.51 H new ATOM 957 N LYS A 61 -6.940 16.605 -1.512 1.00 1.21 N ATOM 958 CA LYS A 61 -6.185 17.657 -0.834 1.00 1.42 C ATOM 959 C LYS A 61 -5.367 17.089 0.334 1.00 1.42 C ATOM 960 O LYS A 61 -4.266 17.571 0.599 1.00 1.57 O ATOM 961 CB LYS A 61 -7.083 18.847 -0.457 1.00 1.68 C ATOM 962 CG LYS A 61 -7.892 18.662 0.834 1.00 1.98 C ATOM 963 CD LYS A 61 -8.898 19.800 1.052 1.00 2.09 C ATOM 964 CE LYS A 61 -10.057 19.741 0.040 1.00 2.51 C ATOM 965 NZ LYS A 61 -11.374 19.656 0.704 1.00 4.00 N ATOM 0 H LYS A 61 -7.954 16.715 -1.483 1.00 1.21 H new ATOM 0 HA LYS A 61 -5.454 18.064 -1.533 1.00 1.42 H new ATOM 0 HB2 LYS A 61 -6.460 19.735 -0.354 1.00 1.68 H new ATOM 0 HB3 LYS A 61 -7.775 19.036 -1.278 1.00 1.68 H new ATOM 0 HG2 LYS A 61 -8.424 17.711 0.795 1.00 1.98 H new ATOM 0 HG3 LYS A 61 -7.211 18.612 1.684 1.00 1.98 H new ATOM 0 HD2 LYS A 61 -9.297 19.743 2.065 1.00 2.09 H new ATOM 0 HD3 LYS A 61 -8.387 20.759 0.964 1.00 2.09 H new ATOM 0 HE2 LYS A 61 -10.028 20.627 -0.595 1.00 2.51 H new ATOM 0 HE3 LYS A 61 -9.924 18.878 -0.612 1.00 2.51 H new ATOM 0 HZ1 LYS A 61 -12.040 19.146 0.089 1.00 4.00 H new ATOM 0 HZ2 LYS A 61 -11.276 19.147 1.606 1.00 4.00 H new ATOM 0 HZ3 LYS A 61 -11.734 20.615 0.885 1.00 4.00 H new ATOM 979 N SER A 62 -5.899 16.054 1.001 1.00 1.33 N ATOM 980 CA SER A 62 -5.216 15.271 2.028 1.00 1.36 C ATOM 981 C SER A 62 -3.948 14.616 1.467 1.00 1.32 C ATOM 982 O SER A 62 -2.883 14.725 2.074 1.00 1.57 O ATOM 983 CB SER A 62 -6.204 14.247 2.629 1.00 1.38 C ATOM 984 OG SER A 62 -5.597 13.183 3.355 1.00 1.79 O ATOM 0 H SER A 62 -6.852 15.732 0.830 1.00 1.33 H new ATOM 0 HA SER A 62 -4.884 15.927 2.833 1.00 1.36 H new ATOM 0 HB2 SER A 62 -6.892 14.773 3.291 1.00 1.38 H new ATOM 0 HB3 SER A 62 -6.801 13.823 1.822 1.00 1.38 H new ATOM 0 HG SER A 62 -6.109 13.011 4.173 1.00 1.79 H new ATOM 990 N LEU A 63 -4.035 13.910 0.333 1.00 1.08 N ATOM 991 CA LEU A 63 -2.856 13.274 -0.246 1.00 1.10 C ATOM 992 C LEU A 63 -1.820 14.300 -0.670 1.00 1.14 C ATOM 993 O LEU A 63 -0.625 14.111 -0.401 1.00 1.22 O ATOM 994 CB LEU A 63 -3.192 12.422 -1.473 1.00 1.08 C ATOM 995 CG LEU A 63 -3.576 10.984 -1.125 1.00 1.31 C ATOM 996 CD1 LEU A 63 -5.040 10.873 -0.753 1.00 1.56 C ATOM 997 CD2 LEU A 63 -3.321 10.100 -2.340 1.00 1.75 C ATOM 0 H LEU A 63 -4.898 13.769 -0.192 1.00 1.08 H new ATOM 0 HA LEU A 63 -2.458 12.634 0.542 1.00 1.10 H new ATOM 0 HB2 LEU A 63 -4.014 12.889 -2.016 1.00 1.08 H new ATOM 0 HB3 LEU A 63 -2.333 12.409 -2.144 1.00 1.08 H new ATOM 0 HG LEU A 63 -2.976 10.669 -0.271 1.00 1.31 H new ATOM 0 HD11 LEU A 63 -5.277 9.837 -0.512 1.00 1.56 H new ATOM 0 HD12 LEU A 63 -5.244 11.503 0.113 1.00 1.56 H new ATOM 0 HD13 LEU A 63 -5.654 11.200 -1.592 1.00 1.56 H new ATOM 0 HD21 LEU A 63 -3.591 9.071 -2.104 1.00 1.75 H new ATOM 0 HD22 LEU A 63 -3.924 10.451 -3.178 1.00 1.75 H new ATOM 0 HD23 LEU A 63 -2.265 10.146 -2.608 1.00 1.75 H new ATOM 1009 N ASP A 64 -2.247 15.316 -1.426 1.00 1.11 N ATOM 1010 CA ASP A 64 -1.307 16.190 -2.104 1.00 1.12 C ATOM 1011 C ASP A 64 -0.749 17.230 -1.134 1.00 1.38 C ATOM 1012 O ASP A 64 -1.080 18.407 -1.222 1.00 1.60 O ATOM 1013 CB ASP A 64 -1.954 16.831 -3.340 1.00 1.09 C ATOM 1014 CG ASP A 64 -0.892 17.486 -4.208 1.00 1.19 C ATOM 1015 OD1 ASP A 64 0.209 16.898 -4.299 1.00 1.35 O ATOM 1016 OD2 ASP A 64 -1.160 18.556 -4.787 1.00 1.72 O ATOM 0 H ASP A 64 -3.229 15.546 -1.578 1.00 1.11 H new ATOM 0 HA ASP A 64 -0.465 15.596 -2.459 1.00 1.12 H new ATOM 0 HB2 ASP A 64 -2.487 16.074 -3.914 1.00 1.09 H new ATOM 0 HB3 ASP A 64 -2.690 17.573 -3.031 1.00 1.09 H new ATOM 1021 N VAL A 65 0.107 16.804 -0.202 1.00 1.45 N ATOM 1022 CA VAL A 65 0.643 17.634 0.876 1.00 1.72 C ATOM 1023 C VAL A 65 1.209 18.977 0.392 1.00 1.74 C ATOM 1024 O VAL A 65 1.028 19.997 1.050 1.00 2.01 O ATOM 1025 CB VAL A 65 1.684 16.851 1.701 1.00 1.86 C ATOM 1026 CG1 VAL A 65 1.043 15.648 2.405 1.00 2.06 C ATOM 1027 CG2 VAL A 65 2.890 16.391 0.865 1.00 1.86 C ATOM 0 H VAL A 65 0.455 15.846 -0.177 1.00 1.45 H new ATOM 0 HA VAL A 65 -0.200 17.884 1.520 1.00 1.72 H new ATOM 0 HB VAL A 65 2.058 17.548 2.451 1.00 1.86 H new ATOM 0 HG11 VAL A 65 1.802 15.116 2.979 1.00 2.06 H new ATOM 0 HG12 VAL A 65 0.258 15.995 3.076 1.00 2.06 H new ATOM 0 HG13 VAL A 65 0.614 14.977 1.661 1.00 2.06 H new ATOM 0 HG21 VAL A 65 3.587 15.846 1.501 1.00 1.86 H new ATOM 0 HG22 VAL A 65 2.548 15.740 0.060 1.00 1.86 H new ATOM 0 HG23 VAL A 65 3.391 17.261 0.440 1.00 1.86 H new ATOM 1037 N ASN A 66 1.911 18.980 -0.747 1.00 1.53 N ATOM 1038 CA ASN A 66 2.490 20.189 -1.337 1.00 1.60 C ATOM 1039 C ASN A 66 1.473 20.984 -2.161 1.00 1.66 C ATOM 1040 O ASN A 66 1.757 22.115 -2.544 1.00 1.90 O ATOM 1041 CB ASN A 66 3.764 19.869 -2.138 1.00 1.53 C ATOM 1042 CG ASN A 66 3.638 18.644 -3.037 1.00 1.30 C ATOM 1043 OD1 ASN A 66 2.559 18.287 -3.510 1.00 1.39 O ATOM 1044 ND2 ASN A 66 4.734 17.916 -3.214 1.00 1.88 N ATOM 0 H ASN A 66 2.094 18.135 -1.289 1.00 1.53 H new ATOM 0 HA ASN A 66 2.782 20.837 -0.511 1.00 1.60 H new ATOM 0 HB2 ASN A 66 4.022 20.732 -2.751 1.00 1.53 H new ATOM 0 HB3 ASN A 66 4.589 19.714 -1.443 1.00 1.53 H new ATOM 0 HD21 ASN A 66 4.689 17.048 -3.748 1.00 1.88 H new ATOM 0 HD22 ASN A 66 5.621 18.225 -2.816 1.00 1.88 H new ATOM 1051 N GLN A 67 0.286 20.419 -2.389 1.00 1.49 N ATOM 1052 CA GLN A 67 -0.881 21.087 -2.943 1.00 1.46 C ATOM 1053 C GLN A 67 -0.541 21.724 -4.297 1.00 1.50 C ATOM 1054 O GLN A 67 -0.812 22.899 -4.538 1.00 1.64 O ATOM 1055 CB GLN A 67 -1.462 22.050 -1.890 1.00 1.58 C ATOM 1056 CG GLN A 67 -2.994 22.138 -1.969 1.00 2.12 C ATOM 1057 CD GLN A 67 -3.736 21.198 -1.009 1.00 2.19 C ATOM 1058 OE1 GLN A 67 -4.733 21.599 -0.416 1.00 2.47 O ATOM 1059 NE2 GLN A 67 -3.286 19.958 -0.827 1.00 3.42 N ATOM 0 H GLN A 67 0.110 19.436 -2.181 1.00 1.49 H new ATOM 0 HA GLN A 67 -1.675 20.374 -3.166 1.00 1.46 H new ATOM 0 HB2 GLN A 67 -1.169 21.717 -0.894 1.00 1.58 H new ATOM 0 HB3 GLN A 67 -1.035 23.043 -2.032 1.00 1.58 H new ATOM 0 HG2 GLN A 67 -3.298 23.164 -1.760 1.00 2.12 H new ATOM 0 HG3 GLN A 67 -3.306 21.915 -2.989 1.00 2.12 H new ATOM 0 HE21 GLN A 67 -2.456 19.638 -1.327 1.00 3.42 H new ATOM 0 HE22 GLN A 67 -3.771 19.328 -0.188 1.00 3.42 H new ATOM 1068 N ASP A 68 0.063 20.916 -5.173 1.00 1.44 N ATOM 1069 CA ASP A 68 0.471 21.278 -6.526 1.00 1.45 C ATOM 1070 C ASP A 68 -0.540 20.763 -7.561 1.00 1.48 C ATOM 1071 O ASP A 68 -0.480 21.167 -8.721 1.00 2.01 O ATOM 1072 CB ASP A 68 1.904 20.778 -6.805 1.00 1.40 C ATOM 1073 CG ASP A 68 2.062 19.279 -6.640 1.00 1.27 C ATOM 1074 OD1 ASP A 68 1.077 18.527 -6.743 1.00 1.27 O ATOM 1075 OD2 ASP A 68 3.131 18.767 -6.246 1.00 1.30 O ATOM 0 H ASP A 68 0.290 19.948 -4.944 1.00 1.44 H new ATOM 0 HA ASP A 68 0.482 22.364 -6.613 1.00 1.45 H new ATOM 0 HB2 ASP A 68 2.187 21.056 -7.820 1.00 1.40 H new ATOM 0 HB3 ASP A 68 2.595 21.285 -6.132 1.00 1.40 H new ATOM 1080 N SER A 69 -1.461 19.879 -7.158 1.00 1.19 N ATOM 1081 CA SER A 69 -2.482 19.269 -7.996 1.00 1.19 C ATOM 1082 C SER A 69 -1.890 18.236 -8.953 1.00 1.13 C ATOM 1083 O SER A 69 -2.565 17.824 -9.895 1.00 1.18 O ATOM 1084 CB SER A 69 -3.355 20.312 -8.708 1.00 1.33 C ATOM 1085 OG SER A 69 -3.910 21.202 -7.756 1.00 1.57 O ATOM 0 H SER A 69 -1.511 19.559 -6.191 1.00 1.19 H new ATOM 0 HA SER A 69 -3.154 18.724 -7.333 1.00 1.19 H new ATOM 0 HB2 SER A 69 -2.758 20.866 -9.433 1.00 1.33 H new ATOM 0 HB3 SER A 69 -4.151 19.816 -9.263 1.00 1.33 H new ATOM 0 HG SER A 69 -4.465 21.867 -8.214 1.00 1.57 H new ATOM 1091 N GLU A 70 -0.668 17.772 -8.675 1.00 1.09 N ATOM 1092 CA GLU A 70 -0.104 16.576 -9.259 1.00 1.02 C ATOM 1093 C GLU A 70 0.105 15.602 -8.108 1.00 0.94 C ATOM 1094 O GLU A 70 0.949 15.855 -7.247 1.00 1.01 O ATOM 1095 CB GLU A 70 1.235 16.885 -9.945 1.00 1.15 C ATOM 1096 CG GLU A 70 1.545 15.745 -10.923 1.00 1.99 C ATOM 1097 CD GLU A 70 2.999 15.295 -10.925 1.00 2.74 C ATOM 1098 OE1 GLU A 70 3.913 16.134 -11.078 1.00 2.99 O ATOM 1099 OE2 GLU A 70 3.223 14.070 -10.819 1.00 3.96 O ATOM 0 H GLU A 70 -0.038 18.237 -8.021 1.00 1.09 H new ATOM 0 HA GLU A 70 -0.765 16.161 -10.020 1.00 1.02 H new ATOM 0 HB2 GLU A 70 1.181 17.836 -10.475 1.00 1.15 H new ATOM 0 HB3 GLU A 70 2.029 16.977 -9.204 1.00 1.15 H new ATOM 0 HG2 GLU A 70 0.914 14.891 -10.678 1.00 1.99 H new ATOM 0 HG3 GLU A 70 1.275 16.063 -11.930 1.00 1.99 H new ATOM 1106 N LEU A 71 -0.633 14.494 -8.085 1.00 0.84 N ATOM 1107 CA LEU A 71 -0.416 13.437 -7.115 1.00 0.78 C ATOM 1108 C LEU A 71 0.708 12.591 -7.714 1.00 0.73 C ATOM 1109 O LEU A 71 0.463 11.674 -8.498 1.00 0.68 O ATOM 1110 CB LEU A 71 -1.687 12.599 -6.908 1.00 0.75 C ATOM 1111 CG LEU A 71 -2.941 13.255 -6.304 1.00 0.90 C ATOM 1112 CD1 LEU A 71 -2.864 13.295 -4.772 1.00 1.02 C ATOM 1113 CD2 LEU A 71 -3.273 14.639 -6.869 1.00 1.05 C ATOM 0 H LEU A 71 -1.394 14.309 -8.738 1.00 0.84 H new ATOM 0 HA LEU A 71 -0.159 13.830 -6.131 1.00 0.78 H new ATOM 0 HB2 LEU A 71 -1.969 12.189 -7.878 1.00 0.75 H new ATOM 0 HB3 LEU A 71 -1.421 11.756 -6.271 1.00 0.75 H new ATOM 0 HG LEU A 71 -3.768 12.613 -6.606 1.00 0.90 H new ATOM 0 HD11 LEU A 71 -3.764 13.764 -4.375 1.00 1.02 H new ATOM 0 HD12 LEU A 71 -2.783 12.279 -4.385 1.00 1.02 H new ATOM 0 HD13 LEU A 71 -1.990 13.870 -4.467 1.00 1.02 H new ATOM 0 HD21 LEU A 71 -4.171 15.024 -6.385 1.00 1.05 H new ATOM 0 HD22 LEU A 71 -2.441 15.318 -6.682 1.00 1.05 H new ATOM 0 HD23 LEU A 71 -3.444 14.562 -7.943 1.00 1.05 H new ATOM 1125 N LYS A 72 1.953 12.944 -7.410 1.00 0.82 N ATOM 1126 CA LYS A 72 3.117 12.280 -7.974 1.00 0.94 C ATOM 1127 C LYS A 72 3.300 10.928 -7.283 1.00 0.88 C ATOM 1128 O LYS A 72 2.805 10.743 -6.178 1.00 0.95 O ATOM 1129 CB LYS A 72 4.326 13.215 -7.834 1.00 1.42 C ATOM 1130 CG LYS A 72 5.493 12.785 -8.734 1.00 1.65 C ATOM 1131 CD LYS A 72 6.418 13.975 -9.056 1.00 2.03 C ATOM 1132 CE LYS A 72 6.835 13.974 -10.534 1.00 3.78 C ATOM 1133 NZ LYS A 72 5.703 14.291 -11.431 1.00 4.83 N ATOM 0 H LYS A 72 2.181 13.700 -6.764 1.00 0.82 H new ATOM 0 HA LYS A 72 2.995 12.072 -9.037 1.00 0.94 H new ATOM 0 HB2 LYS A 72 4.029 14.233 -8.087 1.00 1.42 H new ATOM 0 HB3 LYS A 72 4.655 13.229 -6.795 1.00 1.42 H new ATOM 0 HG2 LYS A 72 6.065 11.999 -8.241 1.00 1.65 H new ATOM 0 HG3 LYS A 72 5.104 12.362 -9.660 1.00 1.65 H new ATOM 0 HD2 LYS A 72 5.908 14.909 -8.821 1.00 2.03 H new ATOM 0 HD3 LYS A 72 7.306 13.929 -8.425 1.00 2.03 H new ATOM 0 HE2 LYS A 72 7.632 14.702 -10.686 1.00 3.78 H new ATOM 0 HE3 LYS A 72 7.241 12.997 -10.795 1.00 3.78 H new ATOM 0 HZ1 LYS A 72 5.939 14.004 -12.402 1.00 4.83 H new ATOM 0 HZ2 LYS A 72 4.855 13.778 -11.115 1.00 4.83 H new ATOM 0 HZ3 LYS A 72 5.517 15.314 -11.407 1.00 4.83 H new ATOM 1147 N PHE A 73 3.999 9.978 -7.914 1.00 0.90 N ATOM 1148 CA PHE A 73 3.973 8.556 -7.558 1.00 0.92 C ATOM 1149 C PHE A 73 3.923 8.288 -6.042 1.00 0.96 C ATOM 1150 O PHE A 73 2.964 7.696 -5.551 1.00 0.99 O ATOM 1151 CB PHE A 73 5.177 7.854 -8.218 1.00 1.03 C ATOM 1152 CG PHE A 73 5.016 6.370 -8.506 1.00 1.47 C ATOM 1153 CD1 PHE A 73 4.675 5.460 -7.484 1.00 2.98 C ATOM 1154 CD2 PHE A 73 5.262 5.884 -9.808 1.00 2.62 C ATOM 1155 CE1 PHE A 73 4.512 4.097 -7.778 1.00 4.49 C ATOM 1156 CE2 PHE A 73 5.145 4.513 -10.088 1.00 4.00 C ATOM 1157 CZ PHE A 73 4.757 3.620 -9.076 1.00 4.76 C ATOM 0 H PHE A 73 4.612 10.181 -8.704 1.00 0.90 H new ATOM 0 HA PHE A 73 3.040 8.141 -7.940 1.00 0.92 H new ATOM 0 HB2 PHE A 73 5.397 8.363 -9.156 1.00 1.03 H new ATOM 0 HB3 PHE A 73 6.046 7.985 -7.573 1.00 1.03 H new ATOM 0 HD1 PHE A 73 4.539 5.813 -6.472 1.00 2.98 H new ATOM 0 HD2 PHE A 73 5.542 6.570 -10.593 1.00 2.62 H new ATOM 0 HE1 PHE A 73 4.197 3.413 -7.004 1.00 4.49 H new ATOM 0 HE2 PHE A 73 5.353 4.145 -11.082 1.00 4.00 H new ATOM 0 HZ PHE A 73 4.647 2.568 -9.296 1.00 4.76 H new ATOM 1167 N ASN A 74 4.937 8.729 -5.289 1.00 1.00 N ATOM 1168 CA ASN A 74 5.017 8.474 -3.848 1.00 1.08 C ATOM 1169 C ASN A 74 3.947 9.247 -3.061 1.00 1.16 C ATOM 1170 O ASN A 74 3.543 8.809 -1.985 1.00 1.34 O ATOM 1171 CB ASN A 74 6.444 8.739 -3.338 1.00 1.13 C ATOM 1172 CG ASN A 74 6.525 8.821 -1.815 1.00 1.38 C ATOM 1173 OD1 ASN A 74 6.784 7.823 -1.152 1.00 1.55 O ATOM 1174 ND2 ASN A 74 6.359 10.012 -1.246 1.00 2.26 N ATOM 0 H ASN A 74 5.720 9.269 -5.659 1.00 1.00 H new ATOM 0 HA ASN A 74 4.798 7.420 -3.675 1.00 1.08 H new ATOM 0 HB2 ASN A 74 7.103 7.945 -3.690 1.00 1.13 H new ATOM 0 HB3 ASN A 74 6.810 9.672 -3.767 1.00 1.13 H new ATOM 0 HD21 ASN A 74 6.447 10.111 -0.235 1.00 2.26 H new ATOM 0 HD22 ASN A 74 6.144 10.826 -1.821 1.00 2.26 H new ATOM 1181 N GLU A 75 3.473 10.385 -3.577 1.00 1.07 N ATOM 1182 CA GLU A 75 2.340 11.082 -2.993 1.00 1.08 C ATOM 1183 C GLU A 75 1.083 10.237 -3.207 1.00 1.03 C ATOM 1184 O GLU A 75 0.437 9.842 -2.238 1.00 1.13 O ATOM 1185 CB GLU A 75 2.158 12.474 -3.616 1.00 1.04 C ATOM 1186 CG GLU A 75 3.418 13.357 -3.651 1.00 1.25 C ATOM 1187 CD GLU A 75 3.134 14.624 -4.443 1.00 1.25 C ATOM 1188 OE1 GLU A 75 2.244 14.621 -5.309 1.00 1.86 O ATOM 1189 OE2 GLU A 75 3.709 15.703 -4.214 1.00 2.07 O ATOM 0 H GLU A 75 3.864 10.839 -4.402 1.00 1.07 H new ATOM 0 HA GLU A 75 2.520 11.224 -1.927 1.00 1.08 H new ATOM 0 HB2 GLU A 75 1.794 12.351 -4.636 1.00 1.04 H new ATOM 0 HB3 GLU A 75 1.382 13.002 -3.062 1.00 1.04 H new ATOM 0 HG2 GLU A 75 3.724 13.612 -2.636 1.00 1.25 H new ATOM 0 HG3 GLU A 75 4.244 12.810 -4.105 1.00 1.25 H new ATOM 1196 N TYR A 76 0.744 9.962 -4.474 1.00 0.96 N ATOM 1197 CA TYR A 76 -0.470 9.246 -4.831 1.00 0.97 C ATOM 1198 C TYR A 76 -0.530 7.898 -4.141 1.00 0.96 C ATOM 1199 O TYR A 76 -1.613 7.500 -3.710 1.00 0.94 O ATOM 1200 CB TYR A 76 -0.609 9.003 -6.328 1.00 0.90 C ATOM 1201 CG TYR A 76 -1.966 8.400 -6.650 1.00 1.18 C ATOM 1202 CD1 TYR A 76 -3.117 9.211 -6.654 1.00 2.77 C ATOM 1203 CD2 TYR A 76 -2.112 7.006 -6.788 1.00 1.42 C ATOM 1204 CE1 TYR A 76 -4.366 8.668 -6.993 1.00 3.28 C ATOM 1205 CE2 TYR A 76 -3.360 6.461 -7.139 1.00 1.73 C ATOM 1206 CZ TYR A 76 -4.478 7.299 -7.281 1.00 2.35 C ATOM 1207 OH TYR A 76 -5.660 6.786 -7.723 1.00 3.04 O ATOM 0 H TYR A 76 1.312 10.234 -5.277 1.00 0.96 H new ATOM 0 HA TYR A 76 -1.286 9.891 -4.504 1.00 0.97 H new ATOM 0 HB2 TYR A 76 -0.486 9.942 -6.867 1.00 0.90 H new ATOM 0 HB3 TYR A 76 0.182 8.334 -6.668 1.00 0.90 H new ATOM 0 HD1 TYR A 76 -3.038 10.256 -6.395 1.00 2.77 H new ATOM 0 HD2 TYR A 76 -1.266 6.356 -6.624 1.00 1.42 H new ATOM 0 HE1 TYR A 76 -5.239 9.302 -7.032 1.00 3.28 H new ATOM 0 HE2 TYR A 76 -3.459 5.398 -7.299 1.00 1.73 H new ATOM 0 HH TYR A 76 -5.509 5.894 -8.099 1.00 3.04 H new ATOM 1217 N TRP A 77 0.629 7.223 -4.042 1.00 1.00 N ATOM 1218 CA TRP A 77 0.763 5.973 -3.315 1.00 1.02 C ATOM 1219 C TRP A 77 -0.098 6.067 -2.062 1.00 0.99 C ATOM 1220 O TRP A 77 -0.844 5.126 -1.839 1.00 0.99 O ATOM 1221 CB TRP A 77 2.233 5.579 -3.008 1.00 1.10 C ATOM 1222 CG TRP A 77 2.448 4.877 -1.688 1.00 1.35 C ATOM 1223 CD1 TRP A 77 1.608 3.991 -1.117 1.00 1.47 C ATOM 1224 CD2 TRP A 77 3.518 4.985 -0.703 1.00 2.83 C ATOM 1225 NE1 TRP A 77 1.749 4.117 0.246 1.00 2.10 N ATOM 1226 CE2 TRP A 77 2.981 4.630 0.569 1.00 2.85 C ATOM 1227 CE3 TRP A 77 4.909 5.202 -0.726 1.00 4.54 C ATOM 1228 CZ2 TRP A 77 3.730 4.750 1.759 1.00 4.20 C ATOM 1229 CZ3 TRP A 77 5.634 4.719 0.380 1.00 5.54 C ATOM 1230 CH2 TRP A 77 5.098 5.002 1.637 1.00 5.56 C ATOM 0 H TRP A 77 1.498 7.542 -4.471 1.00 1.00 H new ATOM 0 HA TRP A 77 0.411 5.159 -3.948 1.00 1.02 H new ATOM 0 HB2 TRP A 77 2.594 4.933 -3.808 1.00 1.10 H new ATOM 0 HB3 TRP A 77 2.845 6.481 -3.026 1.00 1.10 H new ATOM 0 HD1 TRP A 77 0.948 3.310 -1.633 1.00 1.47 H new ATOM 0 HE1 TRP A 77 1.033 3.863 0.926 1.00 2.10 H new ATOM 0 HE3 TRP A 77 5.393 5.711 -1.547 1.00 4.54 H new ATOM 0 HZ2 TRP A 77 3.263 4.651 2.728 1.00 4.20 H new ATOM 0 HZ3 TRP A 77 6.552 4.162 0.262 1.00 5.54 H new ATOM 0 HH2 TRP A 77 5.694 5.386 2.451 1.00 5.56 H new ATOM 1241 N ARG A 78 -0.079 7.168 -1.295 1.00 0.99 N ATOM 1242 CA ARG A 78 -0.882 7.265 -0.081 1.00 0.95 C ATOM 1243 C ARG A 78 -2.263 6.622 -0.238 1.00 0.88 C ATOM 1244 O ARG A 78 -2.613 5.828 0.619 1.00 0.90 O ATOM 1245 CB ARG A 78 -1.017 8.711 0.406 1.00 0.99 C ATOM 1246 CG ARG A 78 0.262 9.219 1.086 1.00 1.59 C ATOM 1247 CD ARG A 78 0.059 10.620 1.696 1.00 1.89 C ATOM 1248 NE ARG A 78 0.420 11.712 0.773 1.00 3.14 N ATOM 1249 CZ ARG A 78 1.672 12.099 0.489 1.00 4.36 C ATOM 1250 NH1 ARG A 78 2.711 11.396 0.953 1.00 4.84 N ATOM 1251 NH2 ARG A 78 1.861 13.189 -0.258 1.00 5.90 N ATOM 0 H ARG A 78 0.482 7.995 -1.498 1.00 0.99 H new ATOM 0 HA ARG A 78 -0.341 6.701 0.679 1.00 0.95 H new ATOM 0 HB2 ARG A 78 -1.257 9.356 -0.439 1.00 0.99 H new ATOM 0 HB3 ARG A 78 -1.850 8.780 1.106 1.00 0.99 H new ATOM 0 HG2 ARG A 78 0.562 8.521 1.867 1.00 1.59 H new ATOM 0 HG3 ARG A 78 1.074 9.252 0.359 1.00 1.59 H new ATOM 0 HD2 ARG A 78 -0.984 10.733 1.992 1.00 1.89 H new ATOM 0 HD3 ARG A 78 0.659 10.705 2.602 1.00 1.89 H new ATOM 0 HE ARG A 78 -0.342 12.212 0.315 1.00 3.14 H new ATOM 0 HH11 ARG A 78 2.551 10.565 1.523 1.00 4.84 H new ATOM 0 HH12 ARG A 78 3.663 11.691 0.737 1.00 4.84 H new ATOM 0 HH21 ARG A 78 1.059 13.715 -0.604 1.00 5.90 H new ATOM 0 HH22 ARG A 78 2.808 13.496 -0.482 1.00 5.90 H new ATOM 1265 N LEU A 79 -3.000 6.847 -1.336 1.00 0.81 N ATOM 1266 CA LEU A 79 -4.267 6.171 -1.598 1.00 0.76 C ATOM 1267 C LEU A 79 -4.133 4.650 -1.483 1.00 0.91 C ATOM 1268 O LEU A 79 -4.841 4.015 -0.709 1.00 0.99 O ATOM 1269 CB LEU A 79 -4.769 6.516 -3.012 1.00 0.76 C ATOM 1270 CG LEU A 79 -6.210 6.033 -3.234 1.00 0.76 C ATOM 1271 CD1 LEU A 79 -7.173 6.876 -2.392 1.00 0.67 C ATOM 1272 CD2 LEU A 79 -6.558 6.133 -4.721 1.00 0.84 C ATOM 0 H LEU A 79 -2.728 7.506 -2.066 1.00 0.81 H new ATOM 0 HA LEU A 79 -4.978 6.517 -0.848 1.00 0.76 H new ATOM 0 HB2 LEU A 79 -4.719 7.594 -3.164 1.00 0.76 H new ATOM 0 HB3 LEU A 79 -4.113 6.059 -3.753 1.00 0.76 H new ATOM 0 HG LEU A 79 -6.302 4.992 -2.924 1.00 0.76 H new ATOM 0 HD11 LEU A 79 -8.194 6.530 -2.552 1.00 0.67 H new ATOM 0 HD12 LEU A 79 -6.917 6.776 -1.337 1.00 0.67 H new ATOM 0 HD13 LEU A 79 -7.094 7.922 -2.687 1.00 0.67 H new ATOM 0 HD21 LEU A 79 -7.581 5.790 -4.879 1.00 0.84 H new ATOM 0 HD22 LEU A 79 -6.468 7.169 -5.047 1.00 0.84 H new ATOM 0 HD23 LEU A 79 -5.874 5.511 -5.298 1.00 0.84 H new ATOM 1284 N ILE A 80 -3.219 4.083 -2.269 1.00 1.08 N ATOM 1285 CA ILE A 80 -2.915 2.657 -2.356 1.00 1.35 C ATOM 1286 C ILE A 80 -2.476 2.176 -0.973 1.00 1.51 C ATOM 1287 O ILE A 80 -2.840 1.091 -0.525 1.00 1.63 O ATOM 1288 CB ILE A 80 -1.810 2.407 -3.405 1.00 1.59 C ATOM 1289 CG1 ILE A 80 -2.027 3.164 -4.730 1.00 1.87 C ATOM 1290 CG2 ILE A 80 -1.642 0.903 -3.664 1.00 1.87 C ATOM 1291 CD1 ILE A 80 -3.388 2.905 -5.378 1.00 1.78 C ATOM 0 H ILE A 80 -2.638 4.639 -2.897 1.00 1.08 H new ATOM 0 HA ILE A 80 -3.798 2.102 -2.673 1.00 1.35 H new ATOM 0 HB ILE A 80 -0.892 2.808 -2.976 1.00 1.59 H new ATOM 0 HG12 ILE A 80 -1.920 4.233 -4.547 1.00 1.87 H new ATOM 0 HG13 ILE A 80 -1.242 2.881 -5.431 1.00 1.87 H new ATOM 0 HG21 ILE A 80 -0.859 0.747 -4.406 1.00 1.87 H new ATOM 0 HG22 ILE A 80 -1.367 0.402 -2.736 1.00 1.87 H new ATOM 0 HG23 ILE A 80 -2.580 0.491 -4.035 1.00 1.87 H new ATOM 0 HD11 ILE A 80 -3.464 3.473 -6.305 1.00 1.78 H new ATOM 0 HD12 ILE A 80 -3.492 1.842 -5.594 1.00 1.78 H new ATOM 0 HD13 ILE A 80 -4.180 3.215 -4.697 1.00 1.78 H new ATOM 1303 N GLY A 81 -1.709 3.038 -0.302 1.00 1.60 N ATOM 1304 CA GLY A 81 -1.287 2.910 1.066 1.00 1.78 C ATOM 1305 C GLY A 81 -2.515 2.625 1.927 1.00 1.67 C ATOM 1306 O GLY A 81 -2.583 1.649 2.672 1.00 1.93 O ATOM 0 H GLY A 81 -1.353 3.889 -0.738 1.00 1.60 H new ATOM 0 HA2 GLY A 81 -0.560 2.104 1.164 1.00 1.78 H new ATOM 0 HA3 GLY A 81 -0.796 3.825 1.398 1.00 1.78 H new ATOM 1310 N GLU A 82 -3.472 3.552 1.822 1.00 1.37 N ATOM 1311 CA GLU A 82 -4.658 3.632 2.631 1.00 1.37 C ATOM 1312 C GLU A 82 -5.497 2.397 2.382 1.00 1.52 C ATOM 1313 O GLU A 82 -5.884 1.767 3.352 1.00 1.75 O ATOM 1314 CB GLU A 82 -5.442 4.932 2.367 1.00 1.10 C ATOM 1315 CG GLU A 82 -4.641 6.201 2.701 1.00 0.93 C ATOM 1316 CD GLU A 82 -5.312 7.088 3.744 1.00 1.27 C ATOM 1317 OE1 GLU A 82 -5.351 6.625 4.909 1.00 1.68 O ATOM 1318 OE2 GLU A 82 -5.760 8.204 3.375 1.00 2.65 O ATOM 0 H GLU A 82 -3.423 4.299 1.129 1.00 1.37 H new ATOM 0 HA GLU A 82 -4.379 3.665 3.684 1.00 1.37 H new ATOM 0 HB2 GLU A 82 -5.739 4.963 1.319 1.00 1.10 H new ATOM 0 HB3 GLU A 82 -6.358 4.922 2.958 1.00 1.10 H new ATOM 0 HG2 GLU A 82 -3.654 5.913 3.062 1.00 0.93 H new ATOM 0 HG3 GLU A 82 -4.491 6.777 1.788 1.00 0.93 H new ATOM 1325 N LEU A 83 -5.768 2.028 1.124 1.00 1.40 N ATOM 1326 CA LEU A 83 -6.691 0.937 0.808 1.00 1.34 C ATOM 1327 C LEU A 83 -6.497 -0.272 1.736 1.00 1.23 C ATOM 1328 O LEU A 83 -7.439 -0.731 2.388 1.00 1.19 O ATOM 1329 CB LEU A 83 -6.566 0.477 -0.654 1.00 1.53 C ATOM 1330 CG LEU A 83 -6.596 1.553 -1.747 1.00 1.42 C ATOM 1331 CD1 LEU A 83 -6.658 0.905 -3.135 1.00 2.00 C ATOM 1332 CD2 LEU A 83 -7.743 2.550 -1.598 1.00 1.91 C ATOM 0 H LEU A 83 -5.356 2.474 0.305 1.00 1.40 H new ATOM 0 HA LEU A 83 -7.690 1.343 0.964 1.00 1.34 H new ATOM 0 HB2 LEU A 83 -5.631 -0.075 -0.753 1.00 1.53 H new ATOM 0 HB3 LEU A 83 -7.374 -0.226 -0.854 1.00 1.53 H new ATOM 0 HG LEU A 83 -5.671 2.118 -1.633 1.00 1.42 H new ATOM 0 HD11 LEU A 83 -6.679 1.682 -3.899 1.00 2.00 H new ATOM 0 HD12 LEU A 83 -5.781 0.275 -3.282 1.00 2.00 H new ATOM 0 HD13 LEU A 83 -7.559 0.296 -3.212 1.00 2.00 H new ATOM 0 HD21 LEU A 83 -7.698 3.280 -2.407 1.00 1.91 H new ATOM 0 HD22 LEU A 83 -8.694 2.019 -1.640 1.00 1.91 H new ATOM 0 HD23 LEU A 83 -7.656 3.064 -0.641 1.00 1.91 H new ATOM 1344 N ALA A 84 -5.250 -0.753 1.813 1.00 1.22 N ATOM 1345 CA ALA A 84 -4.840 -1.886 2.636 1.00 1.22 C ATOM 1346 C ALA A 84 -5.228 -1.717 4.109 1.00 1.22 C ATOM 1347 O ALA A 84 -5.550 -2.685 4.789 1.00 1.29 O ATOM 1348 CB ALA A 84 -3.326 -2.066 2.494 1.00 1.24 C ATOM 0 H ALA A 84 -4.477 -0.348 1.285 1.00 1.22 H new ATOM 0 HA ALA A 84 -5.365 -2.774 2.285 1.00 1.22 H new ATOM 0 HB1 ALA A 84 -3.001 -2.910 3.103 1.00 1.24 H new ATOM 0 HB2 ALA A 84 -3.079 -2.256 1.450 1.00 1.24 H new ATOM 0 HB3 ALA A 84 -2.819 -1.161 2.828 1.00 1.24 H new ATOM 1354 N LYS A 85 -5.185 -0.491 4.623 1.00 1.22 N ATOM 1355 CA LYS A 85 -5.667 -0.172 5.955 1.00 1.24 C ATOM 1356 C LYS A 85 -7.194 -0.084 5.958 1.00 1.21 C ATOM 1357 O LYS A 85 -7.833 -0.686 6.816 1.00 1.19 O ATOM 1358 CB LYS A 85 -5.013 1.131 6.415 1.00 1.39 C ATOM 1359 CG LYS A 85 -5.656 1.731 7.668 1.00 0.96 C ATOM 1360 CD LYS A 85 -4.772 2.829 8.249 1.00 1.50 C ATOM 1361 CE LYS A 85 -4.306 3.868 7.219 1.00 1.17 C ATOM 1362 NZ LYS A 85 -5.398 4.752 6.733 1.00 1.79 N ATOM 0 H LYS A 85 -4.811 0.313 4.119 1.00 1.22 H new ATOM 0 HA LYS A 85 -5.395 -0.960 6.657 1.00 1.24 H new ATOM 0 HB2 LYS A 85 -3.957 0.948 6.611 1.00 1.39 H new ATOM 0 HB3 LYS A 85 -5.065 1.859 5.606 1.00 1.39 H new ATOM 0 HG2 LYS A 85 -6.637 2.138 7.421 1.00 0.96 H new ATOM 0 HG3 LYS A 85 -5.813 0.951 8.412 1.00 0.96 H new ATOM 0 HD2 LYS A 85 -5.318 3.339 9.042 1.00 1.50 H new ATOM 0 HD3 LYS A 85 -3.896 2.371 8.709 1.00 1.50 H new ATOM 0 HE2 LYS A 85 -3.523 4.482 7.663 1.00 1.17 H new ATOM 0 HE3 LYS A 85 -3.862 3.351 6.368 1.00 1.17 H new ATOM 0 HZ1 LYS A 85 -5.063 5.299 5.914 1.00 1.79 H new ATOM 0 HZ2 LYS A 85 -6.215 4.173 6.452 1.00 1.79 H new ATOM 0 HZ3 LYS A 85 -5.681 5.404 7.492 1.00 1.79 H new ATOM 1376 N GLU A 86 -7.785 0.689 5.046 1.00 1.27 N ATOM 1377 CA GLU A 86 -9.205 1.004 5.042 1.00 1.30 C ATOM 1378 C GLU A 86 -10.072 -0.242 4.904 1.00 1.25 C ATOM 1379 O GLU A 86 -11.175 -0.262 5.448 1.00 1.32 O ATOM 1380 CB GLU A 86 -9.537 2.046 3.966 1.00 1.42 C ATOM 1381 CG GLU A 86 -8.745 3.349 4.146 1.00 1.64 C ATOM 1382 CD GLU A 86 -8.866 3.924 5.547 1.00 2.33 C ATOM 1383 OE1 GLU A 86 -10.006 4.258 5.931 1.00 1.88 O ATOM 1384 OE2 GLU A 86 -7.836 3.981 6.257 1.00 4.17 O ATOM 0 H GLU A 86 -7.275 1.120 4.275 1.00 1.27 H new ATOM 0 HA GLU A 86 -9.440 1.441 6.013 1.00 1.30 H new ATOM 0 HB2 GLU A 86 -9.324 1.628 2.982 1.00 1.42 H new ATOM 0 HB3 GLU A 86 -10.604 2.266 3.995 1.00 1.42 H new ATOM 0 HG2 GLU A 86 -7.694 3.163 3.924 1.00 1.64 H new ATOM 0 HG3 GLU A 86 -9.098 4.086 3.424 1.00 1.64 H new ATOM 1391 N ILE A 87 -9.601 -1.288 4.216 1.00 1.20 N ATOM 1392 CA ILE A 87 -10.304 -2.559 4.236 1.00 1.17 C ATOM 1393 C ILE A 87 -10.474 -3.064 5.677 1.00 1.19 C ATOM 1394 O ILE A 87 -11.534 -3.563 6.042 1.00 1.29 O ATOM 1395 CB ILE A 87 -9.599 -3.570 3.314 1.00 1.11 C ATOM 1396 CG1 ILE A 87 -10.625 -4.601 2.825 1.00 1.22 C ATOM 1397 CG2 ILE A 87 -8.420 -4.282 3.995 1.00 1.18 C ATOM 1398 CD1 ILE A 87 -10.147 -5.179 1.501 1.00 1.19 C ATOM 0 H ILE A 87 -8.752 -1.274 3.651 1.00 1.20 H new ATOM 0 HA ILE A 87 -11.311 -2.425 3.842 1.00 1.17 H new ATOM 0 HB ILE A 87 -9.182 -3.015 2.474 1.00 1.11 H new ATOM 0 HG12 ILE A 87 -10.743 -5.395 3.563 1.00 1.22 H new ATOM 0 HG13 ILE A 87 -11.601 -4.132 2.702 1.00 1.22 H new ATOM 0 HG21 ILE A 87 -7.964 -4.982 3.295 1.00 1.18 H new ATOM 0 HG22 ILE A 87 -7.680 -3.545 4.305 1.00 1.18 H new ATOM 0 HG23 ILE A 87 -8.779 -4.825 4.869 1.00 1.18 H new ATOM 0 HD11 ILE A 87 -10.868 -5.914 1.143 1.00 1.19 H new ATOM 0 HD12 ILE A 87 -10.051 -4.378 0.768 1.00 1.19 H new ATOM 0 HD13 ILE A 87 -9.179 -5.660 1.642 1.00 1.19 H new ATOM 1410 N ARG A 88 -9.440 -2.900 6.509 1.00 1.28 N ATOM 1411 CA ARG A 88 -9.445 -3.318 7.900 1.00 1.41 C ATOM 1412 C ARG A 88 -10.300 -2.332 8.698 1.00 1.32 C ATOM 1413 O ARG A 88 -11.206 -2.709 9.445 1.00 1.61 O ATOM 1414 CB ARG A 88 -7.993 -3.333 8.428 1.00 1.81 C ATOM 1415 CG ARG A 88 -7.667 -4.447 9.432 1.00 1.79 C ATOM 1416 CD ARG A 88 -8.719 -4.700 10.522 1.00 2.14 C ATOM 1417 NE ARG A 88 -9.206 -3.489 11.204 1.00 2.73 N ATOM 1418 CZ ARG A 88 -8.608 -2.868 12.230 1.00 3.58 C ATOM 1419 NH1 ARG A 88 -7.360 -3.207 12.581 1.00 3.88 N ATOM 1420 NH2 ARG A 88 -9.272 -1.921 12.903 1.00 4.98 N ATOM 0 H ARG A 88 -8.564 -2.464 6.221 1.00 1.28 H new ATOM 0 HA ARG A 88 -9.862 -4.320 8.002 1.00 1.41 H new ATOM 0 HB2 ARG A 88 -7.317 -3.424 7.578 1.00 1.81 H new ATOM 0 HB3 ARG A 88 -7.786 -2.372 8.898 1.00 1.81 H new ATOM 0 HG2 ARG A 88 -7.515 -5.374 8.879 1.00 1.79 H new ATOM 0 HG3 ARG A 88 -6.721 -4.206 9.917 1.00 1.79 H new ATOM 0 HD2 ARG A 88 -9.569 -5.214 10.074 1.00 2.14 H new ATOM 0 HD3 ARG A 88 -8.295 -5.374 11.267 1.00 2.14 H new ATOM 0 HE ARG A 88 -10.079 -3.086 10.864 1.00 2.73 H new ATOM 0 HH11 ARG A 88 -6.866 -3.937 12.067 1.00 3.88 H new ATOM 0 HH12 ARG A 88 -6.904 -2.735 13.362 1.00 3.88 H new ATOM 0 HH21 ARG A 88 -10.225 -1.677 12.634 1.00 4.98 H new ATOM 0 HH22 ARG A 88 -8.825 -1.443 13.685 1.00 4.98 H new ATOM 1434 N LYS A 89 -9.947 -1.051 8.602 1.00 1.16 N ATOM 1435 CA LYS A 89 -10.460 0.043 9.387 1.00 1.16 C ATOM 1436 C LYS A 89 -11.755 0.574 8.759 1.00 1.59 C ATOM 1437 O LYS A 89 -11.890 1.788 8.570 1.00 2.27 O ATOM 1438 CB LYS A 89 -9.337 1.074 9.325 1.00 1.15 C ATOM 1439 CG LYS A 89 -9.497 2.247 10.282 1.00 1.27 C ATOM 1440 CD LYS A 89 -8.797 3.453 9.647 1.00 1.24 C ATOM 1441 CE LYS A 89 -9.782 4.611 9.450 1.00 1.96 C ATOM 1442 NZ LYS A 89 -10.791 4.274 8.423 1.00 3.59 N ATOM 0 H LYS A 89 -9.249 -0.742 7.926 1.00 1.16 H new ATOM 0 HA LYS A 89 -10.715 -0.227 10.412 1.00 1.16 H new ATOM 0 HB2 LYS A 89 -8.392 0.575 9.538 1.00 1.15 H new ATOM 0 HB3 LYS A 89 -9.272 1.459 8.307 1.00 1.15 H new ATOM 0 HG2 LYS A 89 -10.552 2.462 10.454 1.00 1.27 H new ATOM 0 HG3 LYS A 89 -9.057 2.014 11.252 1.00 1.27 H new ATOM 0 HD2 LYS A 89 -7.971 3.776 10.281 1.00 1.24 H new ATOM 0 HD3 LYS A 89 -8.368 3.167 8.687 1.00 1.24 H new ATOM 0 HE2 LYS A 89 -10.279 4.836 10.394 1.00 1.96 H new ATOM 0 HE3 LYS A 89 -9.240 5.509 9.153 1.00 1.96 H new ATOM 0 HZ1 LYS A 89 -11.457 5.066 8.318 1.00 3.59 H new ATOM 0 HZ2 LYS A 89 -10.316 4.098 7.514 1.00 3.59 H new ATOM 0 HZ3 LYS A 89 -11.310 3.421 8.713 1.00 3.59 H new ATOM 1456 N LYS A 90 -12.676 -0.329 8.404 1.00 2.10 N ATOM 1457 CA LYS A 90 -13.796 -0.061 7.509 1.00 2.90 C ATOM 1458 C LYS A 90 -14.462 1.287 7.760 1.00 2.90 C ATOM 1459 O LYS A 90 -14.538 2.088 6.827 1.00 3.88 O ATOM 1460 CB LYS A 90 -14.816 -1.206 7.527 1.00 3.75 C ATOM 1461 CG LYS A 90 -14.744 -2.040 6.242 1.00 5.13 C ATOM 1462 CD LYS A 90 -15.408 -1.391 5.010 1.00 5.93 C ATOM 1463 CE LYS A 90 -14.506 -0.490 4.143 1.00 6.66 C ATOM 1464 NZ LYS A 90 -14.674 0.964 4.377 1.00 7.02 N ATOM 0 H LYS A 90 -12.658 -1.291 8.743 1.00 2.10 H new ATOM 0 HA LYS A 90 -13.372 -0.003 6.507 1.00 2.90 H new ATOM 0 HB2 LYS A 90 -14.631 -1.847 8.389 1.00 3.75 H new ATOM 0 HB3 LYS A 90 -15.820 -0.799 7.642 1.00 3.75 H new ATOM 0 HG2 LYS A 90 -13.697 -2.236 6.011 1.00 5.13 H new ATOM 0 HG3 LYS A 90 -15.216 -3.005 6.425 1.00 5.13 H new ATOM 0 HD2 LYS A 90 -15.807 -2.185 4.378 1.00 5.93 H new ATOM 0 HD3 LYS A 90 -16.257 -0.798 5.351 1.00 5.93 H new ATOM 0 HE2 LYS A 90 -13.465 -0.756 4.328 1.00 6.66 H new ATOM 0 HE3 LYS A 90 -14.707 -0.701 3.093 1.00 6.66 H new ATOM 0 HZ1 LYS A 90 -14.081 1.494 3.707 1.00 7.02 H new ATOM 0 HZ2 LYS A 90 -15.671 1.225 4.238 1.00 7.02 H new ATOM 0 HZ3 LYS A 90 -14.388 1.194 5.350 1.00 7.02 H new ATOM 1478 N LYS A 91 -14.928 1.509 8.989 1.00 2.69 N ATOM 1479 CA LYS A 91 -15.296 2.806 9.555 1.00 3.40 C ATOM 1480 C LYS A 91 -15.185 2.638 11.075 1.00 3.34 C ATOM 1481 O LYS A 91 -16.130 2.884 11.823 1.00 3.96 O ATOM 1482 CB LYS A 91 -16.687 3.300 9.083 1.00 4.55 C ATOM 1483 CG LYS A 91 -16.607 4.208 7.842 1.00 5.84 C ATOM 1484 CD LYS A 91 -17.940 4.905 7.525 1.00 6.79 C ATOM 1485 CE LYS A 91 -17.750 5.846 6.321 1.00 7.95 C ATOM 1486 NZ LYS A 91 -18.982 6.571 5.942 1.00 8.98 N ATOM 0 H LYS A 91 -15.066 0.747 9.652 1.00 2.69 H new ATOM 0 HA LYS A 91 -14.629 3.594 9.206 1.00 3.40 H new ATOM 0 HB2 LYS A 91 -17.316 2.439 8.858 1.00 4.55 H new ATOM 0 HB3 LYS A 91 -17.169 3.844 9.895 1.00 4.55 H new ATOM 0 HG2 LYS A 91 -15.836 4.963 7.999 1.00 5.84 H new ATOM 0 HG3 LYS A 91 -16.300 3.613 6.982 1.00 5.84 H new ATOM 0 HD2 LYS A 91 -18.707 4.163 7.304 1.00 6.79 H new ATOM 0 HD3 LYS A 91 -18.283 5.470 8.392 1.00 6.79 H new ATOM 0 HE2 LYS A 91 -16.969 6.569 6.554 1.00 7.95 H new ATOM 0 HE3 LYS A 91 -17.402 5.265 5.467 1.00 7.95 H new ATOM 0 HZ1 LYS A 91 -18.760 7.272 5.206 1.00 8.98 H new ATOM 0 HZ2 LYS A 91 -19.684 5.896 5.577 1.00 8.98 H new ATOM 0 HZ3 LYS A 91 -19.370 7.056 6.776 1.00 8.98 H new ATOM 1500 N ASP A 92 -14.007 2.178 11.509 1.00 3.21 N ATOM 1501 CA ASP A 92 -13.743 1.658 12.847 1.00 3.68 C ATOM 1502 C ASP A 92 -13.642 2.777 13.891 1.00 4.57 C ATOM 1503 O ASP A 92 -12.606 2.943 14.530 1.00 5.12 O ATOM 1504 CB ASP A 92 -12.454 0.814 12.816 1.00 3.70 C ATOM 1505 CG ASP A 92 -12.594 -0.507 12.081 1.00 4.22 C ATOM 1506 OD1 ASP A 92 -13.438 -0.615 11.163 1.00 4.61 O ATOM 1507 OD2 ASP A 92 -11.871 -1.463 12.454 1.00 5.15 O ATOM 0 H ASP A 92 -13.181 2.159 10.911 1.00 3.21 H new ATOM 0 HA ASP A 92 -14.583 1.031 13.145 1.00 3.68 H new ATOM 0 HB2 ASP A 92 -11.662 1.397 12.345 1.00 3.70 H new ATOM 0 HB3 ASP A 92 -12.138 0.616 13.840 1.00 3.70 H new ATOM 1512 N LEU A 93 -14.723 3.537 14.073 1.00 5.13 N ATOM 1513 CA LEU A 93 -14.846 4.559 15.106 1.00 6.15 C ATOM 1514 C LEU A 93 -16.308 4.981 15.305 1.00 6.61 C ATOM 1515 O LEU A 93 -16.565 6.115 15.702 1.00 7.78 O ATOM 1516 CB LEU A 93 -13.940 5.769 14.799 1.00 6.97 C ATOM 1517 CG LEU A 93 -14.262 6.511 13.484 1.00 7.73 C ATOM 1518 CD1 LEU A 93 -13.891 7.991 13.641 1.00 8.93 C ATOM 1519 CD2 LEU A 93 -13.484 5.946 12.288 1.00 8.05 C ATOM 0 H LEU A 93 -15.556 3.455 13.490 1.00 5.13 H new ATOM 0 HA LEU A 93 -14.506 4.125 16.047 1.00 6.15 H new ATOM 0 HB2 LEU A 93 -14.013 6.477 15.625 1.00 6.97 H new ATOM 0 HB3 LEU A 93 -12.905 5.428 14.762 1.00 6.97 H new ATOM 0 HG LEU A 93 -15.327 6.382 13.290 1.00 7.73 H new ATOM 0 HD11 LEU A 93 -14.115 8.522 12.716 1.00 8.93 H new ATOM 0 HD12 LEU A 93 -14.467 8.426 14.458 1.00 8.93 H new ATOM 0 HD13 LEU A 93 -12.827 8.078 13.860 1.00 8.93 H new ATOM 0 HD21 LEU A 93 -13.746 6.502 11.388 1.00 8.05 H new ATOM 0 HD22 LEU A 93 -12.414 6.039 12.473 1.00 8.05 H new ATOM 0 HD23 LEU A 93 -13.739 4.895 12.152 1.00 8.05 H new ATOM 1531 N LYS A 94 -17.267 4.098 14.992 1.00 6.06 N ATOM 1532 CA LYS A 94 -18.705 4.339 15.039 1.00 6.62 C ATOM 1533 C LYS A 94 -19.412 3.076 14.530 1.00 6.01 C ATOM 1534 O LYS A 94 -18.759 2.047 14.363 1.00 5.70 O ATOM 1535 CB LYS A 94 -19.103 5.627 14.283 1.00 7.57 C ATOM 1536 CG LYS A 94 -18.484 5.771 12.881 1.00 7.78 C ATOM 1537 CD LYS A 94 -18.638 7.211 12.365 1.00 8.91 C ATOM 1538 CE LYS A 94 -17.658 8.196 13.033 1.00 9.81 C ATOM 1539 NZ LYS A 94 -18.121 9.599 12.960 1.00 11.03 N ATOM 0 H LYS A 94 -17.043 3.151 14.685 1.00 6.06 H new ATOM 0 HA LYS A 94 -19.026 4.525 16.064 1.00 6.62 H new ATOM 0 HB2 LYS A 94 -20.189 5.656 14.190 1.00 7.57 H new ATOM 0 HB3 LYS A 94 -18.811 6.489 14.884 1.00 7.57 H new ATOM 0 HG2 LYS A 94 -17.428 5.502 12.915 1.00 7.78 H new ATOM 0 HG3 LYS A 94 -18.967 5.079 12.192 1.00 7.78 H new ATOM 0 HD2 LYS A 94 -18.480 7.224 11.287 1.00 8.91 H new ATOM 0 HD3 LYS A 94 -19.660 7.547 12.541 1.00 8.91 H new ATOM 0 HE2 LYS A 94 -17.523 7.916 14.078 1.00 9.81 H new ATOM 0 HE3 LYS A 94 -16.683 8.114 12.553 1.00 9.81 H new ATOM 0 HZ1 LYS A 94 -17.426 10.218 13.423 1.00 11.03 H new ATOM 0 HZ2 LYS A 94 -18.224 9.879 11.964 1.00 11.03 H new ATOM 0 HZ3 LYS A 94 -19.039 9.687 13.441 1.00 11.03 H new ATOM 1553 N ILE A 95 -20.728 3.162 14.304 1.00 6.44 N ATOM 1554 CA ILE A 95 -21.622 2.035 14.062 1.00 6.59 C ATOM 1555 C ILE A 95 -21.422 0.941 15.125 1.00 6.80 C ATOM 1556 O ILE A 95 -21.506 1.299 16.299 1.00 7.84 O ATOM 1557 CB ILE A 95 -21.714 1.665 12.567 1.00 6.97 C ATOM 1558 CG1 ILE A 95 -22.908 0.726 12.302 1.00 7.85 C ATOM 1559 CG2 ILE A 95 -20.388 1.187 11.956 1.00 6.72 C ATOM 1560 CD1 ILE A 95 -23.400 0.794 10.853 1.00 8.91 C ATOM 0 H ILE A 95 -21.215 4.058 14.285 1.00 6.44 H new ATOM 0 HA ILE A 95 -22.664 2.307 14.233 1.00 6.59 H new ATOM 0 HB ILE A 95 -21.916 2.589 12.025 1.00 6.97 H new ATOM 0 HG12 ILE A 95 -22.619 -0.299 12.536 1.00 7.85 H new ATOM 0 HG13 ILE A 95 -23.727 0.987 12.973 1.00 7.85 H new ATOM 0 HG21 ILE A 95 -20.538 0.947 10.903 1.00 6.72 H new ATOM 0 HG22 ILE A 95 -19.641 1.976 12.045 1.00 6.72 H new ATOM 0 HG23 ILE A 95 -20.043 0.299 12.485 1.00 6.72 H new ATOM 0 HD11 ILE A 95 -24.241 0.113 10.722 1.00 8.91 H new ATOM 0 HD12 ILE A 95 -23.717 1.811 10.624 1.00 8.91 H new ATOM 0 HD13 ILE A 95 -22.592 0.506 10.181 1.00 8.91 H new ATOM 1572 N ARG A 96 -21.220 -0.346 14.801 1.00 6.54 N ATOM 1573 CA ARG A 96 -21.197 -1.391 15.826 1.00 7.31 C ATOM 1574 C ARG A 96 -19.887 -2.175 15.806 1.00 7.45 C ATOM 1575 O ARG A 96 -19.106 -2.105 16.752 1.00 8.28 O ATOM 1576 CB ARG A 96 -22.414 -2.314 15.653 1.00 7.88 C ATOM 1577 CG ARG A 96 -23.708 -1.589 16.049 1.00 8.89 C ATOM 1578 CD ARG A 96 -24.914 -2.532 15.963 1.00 9.86 C ATOM 1579 NE ARG A 96 -26.127 -1.884 16.490 1.00 11.07 N ATOM 1580 CZ ARG A 96 -27.332 -2.470 16.591 1.00 12.26 C ATOM 1581 NH1 ARG A 96 -27.505 -3.717 16.138 1.00 12.49 N ATOM 1582 NH2 ARG A 96 -28.355 -1.811 17.146 1.00 13.47 N ATOM 0 H ARG A 96 -21.072 -0.681 13.849 1.00 6.54 H new ATOM 0 HA ARG A 96 -21.257 -0.916 16.805 1.00 7.31 H new ATOM 0 HB2 ARG A 96 -22.480 -2.646 14.617 1.00 7.88 H new ATOM 0 HB3 ARG A 96 -22.289 -3.206 16.266 1.00 7.88 H new ATOM 0 HG2 ARG A 96 -23.616 -1.202 17.064 1.00 8.89 H new ATOM 0 HG3 ARG A 96 -23.864 -0.732 15.394 1.00 8.89 H new ATOM 0 HD2 ARG A 96 -25.076 -2.828 14.927 1.00 9.86 H new ATOM 0 HD3 ARG A 96 -24.709 -3.443 16.526 1.00 9.86 H new ATOM 0 HE ARG A 96 -26.046 -0.916 16.802 1.00 11.07 H new ATOM 0 HH11 ARG A 96 -26.723 -4.220 15.718 1.00 12.49 H new ATOM 0 HH12 ARG A 96 -28.418 -4.165 16.213 1.00 12.49 H new ATOM 0 HH21 ARG A 96 -28.221 -0.861 17.494 1.00 13.47 H new ATOM 0 HH22 ARG A 96 -29.269 -2.258 17.222 1.00 13.47 H new ATOM 1596 N LYS A 97 -19.661 -2.929 14.733 1.00 7.04 N ATOM 1597 CA LYS A 97 -18.641 -3.963 14.552 1.00 7.37 C ATOM 1598 C LYS A 97 -18.784 -4.415 13.097 1.00 6.92 C ATOM 1599 O LYS A 97 -18.912 -5.598 12.788 1.00 6.75 O ATOM 1600 CB LYS A 97 -18.842 -5.168 15.500 1.00 8.17 C ATOM 1601 CG LYS A 97 -18.542 -4.897 16.982 1.00 9.60 C ATOM 1602 CD LYS A 97 -18.264 -6.180 17.778 1.00 10.71 C ATOM 1603 CE LYS A 97 -19.502 -7.089 17.839 1.00 11.27 C ATOM 1604 NZ LYS A 97 -19.284 -8.269 18.702 1.00 12.18 N ATOM 0 H LYS A 97 -20.235 -2.825 13.896 1.00 7.04 H new ATOM 0 HA LYS A 97 -17.652 -3.567 14.782 1.00 7.37 H new ATOM 0 HB2 LYS A 97 -19.873 -5.510 15.412 1.00 8.17 H new ATOM 0 HB3 LYS A 97 -18.205 -5.985 15.161 1.00 8.17 H new ATOM 0 HG2 LYS A 97 -17.680 -4.234 17.058 1.00 9.60 H new ATOM 0 HG3 LYS A 97 -19.387 -4.374 17.429 1.00 9.60 H new ATOM 0 HD2 LYS A 97 -17.437 -6.721 17.319 1.00 10.71 H new ATOM 0 HD3 LYS A 97 -17.952 -5.921 18.790 1.00 10.71 H new ATOM 0 HE2 LYS A 97 -20.352 -6.519 18.214 1.00 11.27 H new ATOM 0 HE3 LYS A 97 -19.759 -7.419 16.832 1.00 11.27 H new ATOM 0 HZ1 LYS A 97 -20.144 -8.854 18.714 1.00 12.18 H new ATOM 0 HZ2 LYS A 97 -18.490 -8.829 18.331 1.00 12.18 H new ATOM 0 HZ3 LYS A 97 -19.065 -7.956 19.669 1.00 12.18 H new ATOM 1618 N LYS A 98 -18.831 -3.416 12.219 1.00 7.34 N ATOM 1619 CA LYS A 98 -19.672 -3.425 11.042 1.00 7.83 C ATOM 1620 C LYS A 98 -20.720 -2.337 11.321 1.00 8.91 C ATOM 1621 O LYS A 98 -20.800 -1.921 12.507 1.00 9.58 O ATOM 1622 CB LYS A 98 -18.775 -3.175 9.821 1.00 8.33 C ATOM 1623 CG LYS A 98 -19.493 -3.136 8.464 1.00 9.12 C ATOM 1624 CD LYS A 98 -18.432 -3.328 7.368 1.00 10.01 C ATOM 1625 CE LYS A 98 -18.814 -2.763 5.993 1.00 11.37 C ATOM 1626 NZ LYS A 98 -19.932 -3.464 5.329 1.00 11.64 N ATOM 1627 OXT LYS A 98 -21.415 -1.939 10.364 1.00 9.51 O ATOM 0 H LYS A 98 -18.274 -2.567 12.314 1.00 7.34 H new ATOM 0 HA LYS A 98 -20.188 -4.361 10.828 1.00 7.83 H new ATOM 0 HB2 LYS A 98 -18.255 -2.228 9.963 1.00 8.33 H new ATOM 0 HB3 LYS A 98 -18.014 -3.955 9.786 1.00 8.33 H new ATOM 0 HG2 LYS A 98 -20.247 -3.921 8.408 1.00 9.12 H new ATOM 0 HG3 LYS A 98 -20.011 -2.186 8.333 1.00 9.12 H new ATOM 0 HD2 LYS A 98 -17.505 -2.856 7.694 1.00 10.01 H new ATOM 0 HD3 LYS A 98 -18.228 -4.394 7.263 1.00 10.01 H new ATOM 0 HE2 LYS A 98 -19.078 -1.712 6.107 1.00 11.37 H new ATOM 0 HE3 LYS A 98 -17.940 -2.803 5.343 1.00 11.37 H new ATOM 0 HZ1 LYS A 98 -19.940 -3.224 4.317 1.00 11.64 H new ATOM 0 HZ2 LYS A 98 -19.813 -4.491 5.440 1.00 11.64 H new ATOM 0 HZ3 LYS A 98 -20.831 -3.171 5.762 1.00 11.64 H new TER 1641 LYS A 98 ATOM 1642 N MET B 1 -13.795 -3.096 11.818 1.00 4.06 N ATOM 1643 CA MET B 1 -13.627 -4.518 11.465 1.00 3.79 C ATOM 1644 C MET B 1 -14.680 -4.903 10.426 1.00 3.44 C ATOM 1645 O MET B 1 -15.336 -4.017 9.878 1.00 4.09 O ATOM 1646 CB MET B 1 -13.634 -5.434 12.727 1.00 4.09 C ATOM 1647 CG MET B 1 -13.596 -5.116 14.250 1.00 4.53 C ATOM 1648 SD MET B 1 -14.960 -5.756 15.269 1.00 4.82 S ATOM 1649 CE MET B 1 -14.678 -7.532 15.098 1.00 6.03 C ATOM 0 H1 MET B 1 -13.050 -2.814 12.486 1.00 4.06 H new ATOM 0 H2 MET B 1 -13.727 -2.515 10.958 1.00 4.06 H new ATOM 0 H3 MET B 1 -14.727 -2.955 12.258 1.00 4.06 H new ATOM 0 HA MET B 1 -12.645 -4.670 11.016 1.00 3.79 H new ATOM 0 HB2 MET B 1 -14.533 -6.039 12.607 1.00 4.09 H new ATOM 0 HB3 MET B 1 -12.782 -6.096 12.576 1.00 4.09 H new ATOM 0 HG2 MET B 1 -12.662 -5.507 14.653 1.00 4.53 H new ATOM 0 HG3 MET B 1 -13.566 -4.033 14.368 1.00 4.53 H new ATOM 0 HE1 MET B 1 -15.352 -8.073 15.762 1.00 6.03 H new ATOM 0 HE2 MET B 1 -14.865 -7.833 14.067 1.00 6.03 H new ATOM 0 HE3 MET B 1 -13.646 -7.764 15.362 1.00 6.03 H new ATOM 1661 N ALA B 2 -14.832 -6.201 10.148 1.00 3.36 N ATOM 1662 CA ALA B 2 -15.642 -6.675 9.034 1.00 3.42 C ATOM 1663 C ALA B 2 -14.879 -6.469 7.719 1.00 2.92 C ATOM 1664 O ALA B 2 -13.660 -6.325 7.753 1.00 3.63 O ATOM 1665 CB ALA B 2 -15.991 -8.150 9.252 1.00 4.22 C ATOM 0 H ALA B 2 -14.396 -6.947 10.690 1.00 3.36 H new ATOM 0 HA ALA B 2 -16.571 -6.108 8.978 1.00 3.42 H new ATOM 0 HB1 ALA B 2 -16.597 -8.507 8.420 1.00 4.22 H new ATOM 0 HB2 ALA B 2 -15.074 -8.736 9.311 1.00 4.22 H new ATOM 0 HB3 ALA B 2 -16.551 -8.258 10.181 1.00 4.22 H new ATOM 1671 N ALA B 3 -15.617 -6.438 6.597 1.00 3.02 N ATOM 1672 CA ALA B 3 -15.160 -6.323 5.206 1.00 3.33 C ATOM 1673 C ALA B 3 -15.167 -7.698 4.531 1.00 2.44 C ATOM 1674 O ALA B 3 -14.209 -8.454 4.662 1.00 3.37 O ATOM 1675 CB ALA B 3 -13.803 -5.626 5.049 1.00 4.93 C ATOM 0 H ALA B 3 -16.634 -6.498 6.646 1.00 3.02 H new ATOM 0 HA ALA B 3 -15.872 -5.671 4.700 1.00 3.33 H new ATOM 0 HB1 ALA B 3 -13.537 -5.581 3.993 1.00 4.93 H new ATOM 0 HB2 ALA B 3 -13.865 -4.615 5.451 1.00 4.93 H new ATOM 0 HB3 ALA B 3 -13.041 -6.186 5.591 1.00 4.93 H new ATOM 1681 N GLU B 4 -16.276 -8.023 3.854 1.00 2.05 N ATOM 1682 CA GLU B 4 -16.563 -9.330 3.302 1.00 2.01 C ATOM 1683 C GLU B 4 -16.325 -9.376 1.768 1.00 1.78 C ATOM 1684 O GLU B 4 -15.169 -9.565 1.395 1.00 2.03 O ATOM 1685 CB GLU B 4 -17.924 -9.739 3.877 1.00 2.96 C ATOM 1686 CG GLU B 4 -18.184 -11.225 3.698 1.00 4.11 C ATOM 1687 CD GLU B 4 -19.547 -11.594 4.262 1.00 5.37 C ATOM 1688 OE1 GLU B 4 -20.537 -11.105 3.677 1.00 5.84 O ATOM 1689 OE2 GLU B 4 -19.570 -12.313 5.283 1.00 6.22 O ATOM 0 H GLU B 4 -17.020 -7.348 3.675 1.00 2.05 H new ATOM 0 HA GLU B 4 -15.869 -10.115 3.601 1.00 2.01 H new ATOM 0 HB2 GLU B 4 -17.962 -9.488 4.937 1.00 2.96 H new ATOM 0 HB3 GLU B 4 -18.713 -9.169 3.386 1.00 2.96 H new ATOM 0 HG2 GLU B 4 -18.138 -11.484 2.640 1.00 4.11 H new ATOM 0 HG3 GLU B 4 -17.407 -11.800 4.201 1.00 4.11 H new ATOM 1696 N PRO B 5 -17.304 -9.227 0.848 1.00 1.84 N ATOM 1697 CA PRO B 5 -17.028 -9.336 -0.586 1.00 1.78 C ATOM 1698 C PRO B 5 -16.405 -8.043 -1.128 1.00 1.34 C ATOM 1699 O PRO B 5 -16.589 -6.978 -0.537 1.00 1.71 O ATOM 1700 CB PRO B 5 -18.383 -9.609 -1.238 1.00 2.49 C ATOM 1701 CG PRO B 5 -19.330 -8.804 -0.352 1.00 2.83 C ATOM 1702 CD PRO B 5 -18.727 -8.984 1.043 1.00 2.45 C ATOM 0 HA PRO B 5 -16.310 -10.128 -0.800 1.00 1.78 H new ATOM 0 HB2 PRO B 5 -18.411 -9.275 -2.275 1.00 2.49 H new ATOM 0 HB3 PRO B 5 -18.629 -10.671 -1.239 1.00 2.49 H new ATOM 0 HG2 PRO B 5 -19.364 -7.755 -0.645 1.00 2.83 H new ATOM 0 HG3 PRO B 5 -20.351 -9.182 -0.403 1.00 2.83 H new ATOM 0 HD2 PRO B 5 -18.889 -8.096 1.654 1.00 2.45 H new ATOM 0 HD3 PRO B 5 -19.196 -9.819 1.564 1.00 2.45 H new ATOM 1710 N LEU B 6 -15.667 -8.138 -2.244 1.00 1.14 N ATOM 1711 CA LEU B 6 -14.785 -7.087 -2.749 1.00 1.16 C ATOM 1712 C LEU B 6 -14.869 -7.005 -4.281 1.00 1.07 C ATOM 1713 O LEU B 6 -15.343 -7.940 -4.924 1.00 1.46 O ATOM 1714 CB LEU B 6 -13.341 -7.420 -2.327 1.00 1.90 C ATOM 1715 CG LEU B 6 -13.159 -7.630 -0.812 1.00 1.86 C ATOM 1716 CD1 LEU B 6 -11.752 -8.150 -0.527 1.00 2.71 C ATOM 1717 CD2 LEU B 6 -13.386 -6.369 0.032 1.00 2.35 C ATOM 0 H LEU B 6 -15.671 -8.971 -2.832 1.00 1.14 H new ATOM 0 HA LEU B 6 -15.090 -6.125 -2.337 1.00 1.16 H new ATOM 0 HB2 LEU B 6 -13.021 -8.322 -2.849 1.00 1.90 H new ATOM 0 HB3 LEU B 6 -12.684 -6.613 -2.652 1.00 1.90 H new ATOM 0 HG LEU B 6 -13.924 -8.351 -0.524 1.00 1.86 H new ATOM 0 HD11 LEU B 6 -11.629 -8.297 0.546 1.00 2.71 H new ATOM 0 HD12 LEU B 6 -11.603 -9.099 -1.042 1.00 2.71 H new ATOM 0 HD13 LEU B 6 -11.018 -7.426 -0.881 1.00 2.71 H new ATOM 0 HD21 LEU B 6 -13.238 -6.605 1.086 1.00 2.35 H new ATOM 0 HD22 LEU B 6 -12.678 -5.597 -0.270 1.00 2.35 H new ATOM 0 HD23 LEU B 6 -14.403 -6.008 -0.120 1.00 2.35 H new ATOM 1729 N THR B 7 -14.391 -5.895 -4.857 1.00 0.94 N ATOM 1730 CA THR B 7 -14.083 -5.763 -6.285 1.00 0.97 C ATOM 1731 C THR B 7 -12.597 -6.065 -6.504 1.00 1.03 C ATOM 1732 O THR B 7 -11.935 -6.533 -5.589 1.00 1.82 O ATOM 1733 CB THR B 7 -14.468 -4.369 -6.813 1.00 1.03 C ATOM 1734 OG1 THR B 7 -14.374 -4.348 -8.226 1.00 1.22 O ATOM 1735 CG2 THR B 7 -13.583 -3.245 -6.263 1.00 1.03 C ATOM 0 H THR B 7 -14.203 -5.043 -4.329 1.00 0.94 H new ATOM 0 HA THR B 7 -14.675 -6.481 -6.852 1.00 0.97 H new ATOM 0 HB THR B 7 -15.489 -4.189 -6.475 1.00 1.03 H new ATOM 0 HG1 THR B 7 -14.622 -3.460 -8.557 1.00 1.22 H new ATOM 0 HG21 THR B 7 -13.909 -2.290 -6.676 1.00 1.03 H new ATOM 0 HG22 THR B 7 -13.664 -3.217 -5.176 1.00 1.03 H new ATOM 0 HG23 THR B 7 -12.546 -3.427 -6.545 1.00 1.03 H new ATOM 1743 N GLU B 8 -12.057 -5.767 -7.686 1.00 0.90 N ATOM 1744 CA GLU B 8 -10.728 -6.201 -8.098 1.00 0.87 C ATOM 1745 C GLU B 8 -9.602 -5.461 -7.353 1.00 0.74 C ATOM 1746 O GLU B 8 -8.867 -6.099 -6.603 1.00 0.74 O ATOM 1747 CB GLU B 8 -10.645 -6.140 -9.622 1.00 1.15 C ATOM 1748 CG GLU B 8 -9.316 -6.650 -10.181 1.00 1.28 C ATOM 1749 CD GLU B 8 -9.349 -6.596 -11.704 1.00 1.69 C ATOM 1750 OE1 GLU B 8 -9.704 -5.509 -12.218 1.00 1.70 O ATOM 1751 OE2 GLU B 8 -9.058 -7.640 -12.323 1.00 2.53 O ATOM 0 H GLU B 8 -12.539 -5.210 -8.391 1.00 0.90 H new ATOM 0 HA GLU B 8 -10.568 -7.239 -7.805 1.00 0.87 H new ATOM 0 HB2 GLU B 8 -11.458 -6.729 -10.046 1.00 1.15 H new ATOM 0 HB3 GLU B 8 -10.795 -5.110 -9.945 1.00 1.15 H new ATOM 0 HG2 GLU B 8 -8.494 -6.043 -9.803 1.00 1.28 H new ATOM 0 HG3 GLU B 8 -9.137 -7.672 -9.847 1.00 1.28 H new ATOM 1758 N LEU B 9 -9.441 -4.134 -7.499 1.00 0.73 N ATOM 1759 CA LEU B 9 -8.458 -3.414 -6.677 1.00 0.71 C ATOM 1760 C LEU B 9 -8.635 -3.738 -5.185 1.00 0.66 C ATOM 1761 O LEU B 9 -7.681 -4.120 -4.507 1.00 0.68 O ATOM 1762 CB LEU B 9 -8.532 -1.890 -6.894 1.00 0.73 C ATOM 1763 CG LEU B 9 -7.793 -1.415 -8.157 1.00 0.78 C ATOM 1764 CD1 LEU B 9 -8.098 0.060 -8.412 1.00 0.88 C ATOM 1765 CD2 LEU B 9 -6.270 -1.508 -8.006 1.00 1.16 C ATOM 0 H LEU B 9 -9.962 -3.555 -8.158 1.00 0.73 H new ATOM 0 HA LEU B 9 -7.474 -3.755 -6.997 1.00 0.71 H new ATOM 0 HB2 LEU B 9 -9.578 -1.590 -6.960 1.00 0.73 H new ATOM 0 HB3 LEU B 9 -8.110 -1.386 -6.024 1.00 0.73 H new ATOM 0 HG LEU B 9 -8.131 -2.058 -8.969 1.00 0.78 H new ATOM 0 HD11 LEU B 9 -7.572 0.391 -9.308 1.00 0.88 H new ATOM 0 HD12 LEU B 9 -9.171 0.191 -8.552 1.00 0.88 H new ATOM 0 HD13 LEU B 9 -7.769 0.652 -7.558 1.00 0.88 H new ATOM 0 HD21 LEU B 9 -5.792 -1.162 -8.922 1.00 1.16 H new ATOM 0 HD22 LEU B 9 -5.948 -0.885 -7.171 1.00 1.16 H new ATOM 0 HD23 LEU B 9 -5.986 -2.543 -7.817 1.00 1.16 H new ATOM 1777 N GLU B 10 -9.873 -3.597 -4.708 1.00 0.65 N ATOM 1778 CA GLU B 10 -10.341 -3.827 -3.341 1.00 0.75 C ATOM 1779 C GLU B 10 -9.911 -5.227 -2.853 1.00 0.92 C ATOM 1780 O GLU B 10 -9.433 -5.382 -1.731 1.00 1.34 O ATOM 1781 CB GLU B 10 -11.861 -3.569 -3.385 1.00 0.94 C ATOM 1782 CG GLU B 10 -12.720 -3.650 -2.110 1.00 1.71 C ATOM 1783 CD GLU B 10 -13.837 -2.596 -2.033 1.00 2.21 C ATOM 1784 OE1 GLU B 10 -14.404 -2.246 -3.090 1.00 2.75 O ATOM 1785 OE2 GLU B 10 -14.146 -2.142 -0.913 1.00 3.39 O ATOM 0 H GLU B 10 -10.634 -3.295 -5.316 1.00 0.65 H new ATOM 0 HA GLU B 10 -9.898 -3.161 -2.601 1.00 0.75 H new ATOM 0 HB2 GLU B 10 -12.003 -2.572 -3.802 1.00 0.94 H new ATOM 0 HB3 GLU B 10 -12.283 -4.276 -4.099 1.00 0.94 H new ATOM 0 HG2 GLU B 10 -13.168 -4.642 -2.050 1.00 1.71 H new ATOM 0 HG3 GLU B 10 -12.071 -3.539 -1.241 1.00 1.71 H new ATOM 1792 N GLU B 11 -10.011 -6.236 -3.720 1.00 0.81 N ATOM 1793 CA GLU B 11 -9.489 -7.579 -3.509 1.00 0.81 C ATOM 1794 C GLU B 11 -7.961 -7.551 -3.422 1.00 0.77 C ATOM 1795 O GLU B 11 -7.394 -7.939 -2.405 1.00 1.01 O ATOM 1796 CB GLU B 11 -10.037 -8.491 -4.621 1.00 0.91 C ATOM 1797 CG GLU B 11 -9.356 -9.845 -4.784 1.00 2.05 C ATOM 1798 CD GLU B 11 -9.295 -10.628 -3.480 1.00 3.14 C ATOM 1799 OE1 GLU B 11 -10.333 -11.236 -3.144 1.00 3.59 O ATOM 1800 OE2 GLU B 11 -8.219 -10.581 -2.845 1.00 4.35 O ATOM 0 H GLU B 11 -10.476 -6.132 -4.622 1.00 0.81 H new ATOM 0 HA GLU B 11 -9.823 -7.988 -2.555 1.00 0.81 H new ATOM 0 HB2 GLU B 11 -11.097 -8.662 -4.431 1.00 0.91 H new ATOM 0 HB3 GLU B 11 -9.965 -7.956 -5.568 1.00 0.91 H new ATOM 0 HG2 GLU B 11 -9.893 -10.430 -5.531 1.00 2.05 H new ATOM 0 HG3 GLU B 11 -8.345 -9.696 -5.162 1.00 2.05 H new ATOM 1807 N SER B 12 -7.274 -7.065 -4.460 1.00 0.65 N ATOM 1808 CA SER B 12 -5.815 -7.151 -4.527 1.00 0.71 C ATOM 1809 C SER B 12 -5.138 -6.559 -3.280 1.00 0.69 C ATOM 1810 O SER B 12 -4.128 -7.076 -2.802 1.00 0.77 O ATOM 1811 CB SER B 12 -5.295 -6.521 -5.825 1.00 0.88 C ATOM 1812 OG SER B 12 -5.494 -5.122 -5.834 1.00 1.35 O ATOM 0 H SER B 12 -7.706 -6.609 -5.264 1.00 0.65 H new ATOM 0 HA SER B 12 -5.546 -8.207 -4.540 1.00 0.71 H new ATOM 0 HB2 SER B 12 -4.233 -6.740 -5.938 1.00 0.88 H new ATOM 0 HB3 SER B 12 -5.805 -6.968 -6.678 1.00 0.88 H new ATOM 0 HG SER B 12 -6.277 -4.900 -5.289 1.00 1.35 H new ATOM 1818 N ILE B 13 -5.710 -5.485 -2.730 1.00 0.67 N ATOM 1819 CA ILE B 13 -5.227 -4.904 -1.484 1.00 0.77 C ATOM 1820 C ILE B 13 -5.554 -5.782 -0.271 1.00 0.82 C ATOM 1821 O ILE B 13 -4.745 -5.851 0.654 1.00 0.95 O ATOM 1822 CB ILE B 13 -5.615 -3.419 -1.341 1.00 0.94 C ATOM 1823 CG1 ILE B 13 -7.112 -3.118 -1.492 1.00 0.88 C ATOM 1824 CG2 ILE B 13 -4.832 -2.635 -2.406 1.00 1.07 C ATOM 1825 CD1 ILE B 13 -7.846 -3.176 -0.159 1.00 1.02 C ATOM 0 H ILE B 13 -6.512 -5.001 -3.134 1.00 0.67 H new ATOM 0 HA ILE B 13 -4.138 -4.893 -1.524 1.00 0.77 H new ATOM 0 HB ILE B 13 -5.368 -3.123 -0.322 1.00 0.94 H new ATOM 0 HG12 ILE B 13 -7.240 -2.129 -1.933 1.00 0.88 H new ATOM 0 HG13 ILE B 13 -7.557 -3.835 -2.182 1.00 0.88 H new ATOM 0 HG21 ILE B 13 -5.082 -1.576 -2.335 1.00 1.07 H new ATOM 0 HG22 ILE B 13 -3.763 -2.767 -2.242 1.00 1.07 H new ATOM 0 HG23 ILE B 13 -5.096 -3.004 -3.397 1.00 1.07 H new ATOM 0 HD11 ILE B 13 -8.902 -2.956 -0.315 1.00 1.02 H new ATOM 0 HD12 ILE B 13 -7.742 -4.172 0.270 1.00 1.02 H new ATOM 0 HD13 ILE B 13 -7.420 -2.441 0.523 1.00 1.02 H new ATOM 1837 N GLU B 14 -6.681 -6.502 -0.270 1.00 0.81 N ATOM 1838 CA GLU B 14 -6.939 -7.502 0.757 1.00 0.94 C ATOM 1839 C GLU B 14 -5.881 -8.598 0.662 1.00 0.86 C ATOM 1840 O GLU B 14 -5.190 -8.840 1.641 1.00 0.94 O ATOM 1841 CB GLU B 14 -8.359 -8.082 0.666 1.00 1.07 C ATOM 1842 CG GLU B 14 -8.908 -8.427 2.064 1.00 1.39 C ATOM 1843 CD GLU B 14 -8.032 -9.411 2.829 1.00 2.04 C ATOM 1844 OE1 GLU B 14 -7.975 -10.578 2.389 1.00 2.21 O ATOM 1845 OE2 GLU B 14 -7.425 -8.980 3.835 1.00 3.63 O ATOM 0 H GLU B 14 -7.421 -6.408 -0.966 1.00 0.81 H new ATOM 0 HA GLU B 14 -6.876 -7.019 1.732 1.00 0.94 H new ATOM 0 HB2 GLU B 14 -9.018 -7.363 0.180 1.00 1.07 H new ATOM 0 HB3 GLU B 14 -8.350 -8.977 0.044 1.00 1.07 H new ATOM 0 HG2 GLU B 14 -9.005 -7.510 2.645 1.00 1.39 H new ATOM 0 HG3 GLU B 14 -9.909 -8.846 1.960 1.00 1.39 H new ATOM 1852 N THR B 15 -5.701 -9.206 -0.518 1.00 0.77 N ATOM 1853 CA THR B 15 -4.746 -10.292 -0.755 1.00 0.76 C ATOM 1854 C THR B 15 -3.424 -10.066 0.011 1.00 0.72 C ATOM 1855 O THR B 15 -2.968 -10.916 0.775 1.00 0.79 O ATOM 1856 CB THR B 15 -4.529 -10.445 -2.274 1.00 0.89 C ATOM 1857 OG1 THR B 15 -5.652 -11.043 -2.897 1.00 2.31 O ATOM 1858 CG2 THR B 15 -3.318 -11.320 -2.617 1.00 1.56 C ATOM 0 H THR B 15 -6.228 -8.949 -1.352 1.00 0.77 H new ATOM 0 HA THR B 15 -5.154 -11.225 -0.367 1.00 0.76 H new ATOM 0 HB THR B 15 -4.366 -9.431 -2.639 1.00 0.89 H new ATOM 0 HG1 THR B 15 -6.467 -10.576 -2.620 1.00 2.31 H new ATOM 0 HG21 THR B 15 -3.216 -11.391 -3.700 1.00 1.56 H new ATOM 0 HG22 THR B 15 -2.417 -10.875 -2.196 1.00 1.56 H new ATOM 0 HG23 THR B 15 -3.460 -12.317 -2.200 1.00 1.56 H new ATOM 1866 N VAL B 16 -2.823 -8.886 -0.144 1.00 0.70 N ATOM 1867 CA VAL B 16 -1.572 -8.569 0.537 1.00 0.74 C ATOM 1868 C VAL B 16 -1.771 -8.384 2.049 1.00 0.81 C ATOM 1869 O VAL B 16 -0.929 -8.830 2.830 1.00 0.86 O ATOM 1870 CB VAL B 16 -0.835 -7.391 -0.127 1.00 0.77 C ATOM 1871 CG1 VAL B 16 -0.441 -7.751 -1.565 1.00 0.81 C ATOM 1872 CG2 VAL B 16 -1.650 -6.096 -0.141 1.00 0.79 C ATOM 0 H VAL B 16 -3.183 -8.136 -0.735 1.00 0.70 H new ATOM 0 HA VAL B 16 -0.915 -9.432 0.425 1.00 0.74 H new ATOM 0 HB VAL B 16 0.053 -7.211 0.480 1.00 0.77 H new ATOM 0 HG11 VAL B 16 0.079 -6.909 -2.021 1.00 0.81 H new ATOM 0 HG12 VAL B 16 0.216 -8.621 -1.555 1.00 0.81 H new ATOM 0 HG13 VAL B 16 -1.337 -7.980 -2.141 1.00 0.81 H new ATOM 0 HG21 VAL B 16 -1.072 -5.307 -0.623 1.00 0.79 H new ATOM 0 HG22 VAL B 16 -2.577 -6.255 -0.692 1.00 0.79 H new ATOM 0 HG23 VAL B 16 -1.883 -5.802 0.882 1.00 0.79 H new ATOM 1882 N VAL B 17 -2.867 -7.747 2.479 1.00 0.86 N ATOM 1883 CA VAL B 17 -3.210 -7.612 3.892 1.00 0.95 C ATOM 1884 C VAL B 17 -3.309 -8.993 4.536 1.00 0.91 C ATOM 1885 O VAL B 17 -2.646 -9.232 5.543 1.00 1.03 O ATOM 1886 CB VAL B 17 -4.507 -6.800 4.073 1.00 1.04 C ATOM 1887 CG1 VAL B 17 -5.049 -6.848 5.509 1.00 1.16 C ATOM 1888 CG2 VAL B 17 -4.278 -5.334 3.701 1.00 1.08 C ATOM 0 H VAL B 17 -3.541 -7.310 1.850 1.00 0.86 H new ATOM 0 HA VAL B 17 -2.418 -7.058 4.397 1.00 0.95 H new ATOM 0 HB VAL B 17 -5.241 -7.260 3.412 1.00 1.04 H new ATOM 0 HG11 VAL B 17 -5.963 -6.258 5.573 1.00 1.16 H new ATOM 0 HG12 VAL B 17 -5.264 -7.881 5.782 1.00 1.16 H new ATOM 0 HG13 VAL B 17 -4.305 -6.440 6.193 1.00 1.16 H new ATOM 0 HG21 VAL B 17 -5.205 -4.776 3.835 1.00 1.08 H new ATOM 0 HG22 VAL B 17 -3.504 -4.912 4.343 1.00 1.08 H new ATOM 0 HG23 VAL B 17 -3.962 -5.268 2.660 1.00 1.08 H new ATOM 1898 N THR B 18 -4.118 -9.897 3.981 1.00 0.82 N ATOM 1899 CA THR B 18 -4.284 -11.236 4.530 1.00 0.83 C ATOM 1900 C THR B 18 -2.944 -11.977 4.571 1.00 0.76 C ATOM 1901 O THR B 18 -2.582 -12.520 5.617 1.00 0.81 O ATOM 1902 CB THR B 18 -5.425 -12.000 3.839 1.00 0.95 C ATOM 1903 OG1 THR B 18 -5.607 -13.262 4.448 1.00 1.01 O ATOM 1904 CG2 THR B 18 -5.234 -12.198 2.336 1.00 1.09 C ATOM 0 H THR B 18 -4.672 -9.719 3.143 1.00 0.82 H new ATOM 0 HA THR B 18 -4.604 -11.156 5.569 1.00 0.83 H new ATOM 0 HB THR B 18 -6.307 -11.372 3.962 1.00 0.95 H new ATOM 0 HG1 THR B 18 -6.337 -13.739 4.001 1.00 1.01 H new ATOM 0 HG21 THR B 18 -6.085 -12.746 1.930 1.00 1.09 H new ATOM 0 HG22 THR B 18 -5.161 -11.226 1.847 1.00 1.09 H new ATOM 0 HG23 THR B 18 -4.320 -12.764 2.157 1.00 1.09 H new ATOM 1912 N THR B 19 -2.148 -11.952 3.496 1.00 0.77 N ATOM 1913 CA THR B 19 -0.820 -12.550 3.541 1.00 0.88 C ATOM 1914 C THR B 19 0.000 -11.959 4.695 1.00 0.94 C ATOM 1915 O THR B 19 0.497 -12.703 5.543 1.00 1.03 O ATOM 1916 CB THR B 19 -0.153 -12.432 2.167 1.00 1.06 C ATOM 1917 OG1 THR B 19 -0.984 -13.134 1.272 1.00 1.17 O ATOM 1918 CG2 THR B 19 1.247 -13.056 2.147 1.00 1.16 C ATOM 0 H THR B 19 -2.399 -11.531 2.602 1.00 0.77 H new ATOM 0 HA THR B 19 -0.892 -13.616 3.756 1.00 0.88 H new ATOM 0 HB THR B 19 -0.033 -11.382 1.901 1.00 1.06 H new ATOM 0 HG1 THR B 19 -0.666 -12.997 0.355 1.00 1.17 H new ATOM 0 HG21 THR B 19 1.679 -12.948 1.152 1.00 1.16 H new ATOM 0 HG22 THR B 19 1.881 -12.550 2.875 1.00 1.16 H new ATOM 0 HG23 THR B 19 1.177 -14.114 2.399 1.00 1.16 H new ATOM 1926 N PHE B 20 0.087 -10.629 4.791 1.00 0.96 N ATOM 1927 CA PHE B 20 0.733 -9.986 5.930 1.00 1.14 C ATOM 1928 C PHE B 20 0.178 -10.512 7.260 1.00 1.07 C ATOM 1929 O PHE B 20 0.952 -10.845 8.149 1.00 1.11 O ATOM 1930 CB PHE B 20 0.628 -8.457 5.842 1.00 1.33 C ATOM 1931 CG PHE B 20 1.909 -7.791 5.381 1.00 3.06 C ATOM 1932 CD1 PHE B 20 2.189 -7.638 4.012 1.00 4.77 C ATOM 1933 CD2 PHE B 20 2.873 -7.415 6.334 1.00 3.89 C ATOM 1934 CE1 PHE B 20 3.400 -7.050 3.606 1.00 6.63 C ATOM 1935 CE2 PHE B 20 4.085 -6.832 5.929 1.00 5.65 C ATOM 1936 CZ PHE B 20 4.342 -6.633 4.562 1.00 6.89 C ATOM 0 H PHE B 20 -0.282 -9.982 4.094 1.00 0.96 H new ATOM 0 HA PHE B 20 1.792 -10.244 5.895 1.00 1.14 H new ATOM 0 HB2 PHE B 20 -0.177 -8.194 5.155 1.00 1.33 H new ATOM 0 HB3 PHE B 20 0.354 -8.062 6.820 1.00 1.33 H new ATOM 0 HD1 PHE B 20 1.475 -7.972 3.273 1.00 4.77 H new ATOM 0 HD2 PHE B 20 2.680 -7.576 7.384 1.00 3.89 H new ATOM 0 HE1 PHE B 20 3.607 -6.918 2.554 1.00 6.63 H new ATOM 0 HE2 PHE B 20 4.817 -6.538 6.666 1.00 5.65 H new ATOM 0 HZ PHE B 20 5.261 -6.161 4.247 1.00 6.89 H new ATOM 1946 N PHE B 21 -1.145 -10.597 7.403 1.00 1.01 N ATOM 1947 CA PHE B 21 -1.819 -11.061 8.610 1.00 1.04 C ATOM 1948 C PHE B 21 -1.371 -12.478 8.986 1.00 1.05 C ATOM 1949 O PHE B 21 -1.008 -12.735 10.135 1.00 1.11 O ATOM 1950 CB PHE B 21 -3.337 -10.971 8.415 1.00 1.10 C ATOM 1951 CG PHE B 21 -4.170 -11.337 9.626 1.00 1.23 C ATOM 1952 CD1 PHE B 21 -4.271 -10.443 10.706 1.00 2.33 C ATOM 1953 CD2 PHE B 21 -4.938 -12.517 9.623 1.00 2.32 C ATOM 1954 CE1 PHE B 21 -5.175 -10.699 11.752 1.00 2.61 C ATOM 1955 CE2 PHE B 21 -5.838 -12.776 10.672 1.00 2.60 C ATOM 1956 CZ PHE B 21 -5.971 -11.857 11.727 1.00 2.07 C ATOM 0 H PHE B 21 -1.793 -10.337 6.660 1.00 1.01 H new ATOM 0 HA PHE B 21 -1.542 -10.417 9.445 1.00 1.04 H new ATOM 0 HB2 PHE B 21 -3.588 -9.953 8.116 1.00 1.10 H new ATOM 0 HB3 PHE B 21 -3.620 -11.624 7.590 1.00 1.10 H new ATOM 0 HD1 PHE B 21 -3.653 -9.558 10.732 1.00 2.33 H new ATOM 0 HD2 PHE B 21 -4.836 -13.225 8.814 1.00 2.32 H new ATOM 0 HE1 PHE B 21 -5.258 -10.005 12.575 1.00 2.61 H new ATOM 0 HE2 PHE B 21 -6.427 -13.681 10.667 1.00 2.60 H new ATOM 0 HZ PHE B 21 -6.684 -12.040 12.517 1.00 2.07 H new ATOM 1966 N THR B 22 -1.362 -13.404 8.021 1.00 1.06 N ATOM 1967 CA THR B 22 -0.918 -14.768 8.288 1.00 1.14 C ATOM 1968 C THR B 22 0.512 -14.786 8.839 1.00 1.12 C ATOM 1969 O THR B 22 0.806 -15.563 9.741 1.00 1.24 O ATOM 1970 CB THR B 22 -1.084 -15.682 7.064 1.00 1.27 C ATOM 1971 OG1 THR B 22 -0.322 -15.236 5.965 1.00 2.09 O ATOM 1972 CG2 THR B 22 -2.552 -15.822 6.653 1.00 1.60 C ATOM 0 H THR B 22 -1.655 -13.233 7.059 1.00 1.06 H new ATOM 0 HA THR B 22 -1.568 -15.178 9.062 1.00 1.14 H new ATOM 0 HB THR B 22 -0.713 -16.662 7.365 1.00 1.27 H new ATOM 0 HG1 THR B 22 -0.065 -14.301 6.103 1.00 2.09 H new ATOM 0 HG21 THR B 22 -2.626 -16.476 5.784 1.00 1.60 H new ATOM 0 HG22 THR B 22 -3.122 -16.249 7.478 1.00 1.60 H new ATOM 0 HG23 THR B 22 -2.955 -14.841 6.404 1.00 1.60 H new ATOM 1980 N PHE B 23 1.389 -13.907 8.345 1.00 1.05 N ATOM 1981 CA PHE B 23 2.725 -13.752 8.913 1.00 1.06 C ATOM 1982 C PHE B 23 2.654 -13.047 10.270 1.00 0.97 C ATOM 1983 O PHE B 23 3.334 -13.430 11.209 1.00 1.03 O ATOM 1984 CB PHE B 23 3.654 -13.015 7.936 1.00 1.18 C ATOM 1985 CG PHE B 23 4.213 -13.903 6.836 1.00 1.35 C ATOM 1986 CD1 PHE B 23 3.345 -14.524 5.917 1.00 2.53 C ATOM 1987 CD2 PHE B 23 5.588 -14.208 6.807 1.00 2.16 C ATOM 1988 CE1 PHE B 23 3.835 -15.482 5.016 1.00 3.18 C ATOM 1989 CE2 PHE B 23 6.084 -15.133 5.872 1.00 2.60 C ATOM 1990 CZ PHE B 23 5.202 -15.794 5.000 1.00 2.78 C ATOM 0 H PHE B 23 1.195 -13.294 7.553 1.00 1.05 H new ATOM 0 HA PHE B 23 3.149 -14.743 9.077 1.00 1.06 H new ATOM 0 HB2 PHE B 23 3.107 -12.189 7.481 1.00 1.18 H new ATOM 0 HB3 PHE B 23 4.482 -12.579 8.495 1.00 1.18 H new ATOM 0 HD1 PHE B 23 2.297 -14.262 5.906 1.00 2.53 H new ATOM 0 HD2 PHE B 23 6.261 -13.731 7.504 1.00 2.16 H new ATOM 0 HE1 PHE B 23 3.160 -15.979 4.335 1.00 3.18 H new ATOM 0 HE2 PHE B 23 7.144 -15.336 5.824 1.00 2.60 H new ATOM 0 HZ PHE B 23 5.577 -16.542 4.318 1.00 2.78 H new ATOM 2000 N ALA B 24 1.810 -12.029 10.404 1.00 0.89 N ATOM 2001 CA ALA B 24 1.659 -11.197 11.588 1.00 0.87 C ATOM 2002 C ALA B 24 1.450 -12.067 12.810 1.00 1.00 C ATOM 2003 O ALA B 24 1.927 -11.721 13.892 1.00 1.09 O ATOM 2004 CB ALA B 24 0.480 -10.230 11.439 1.00 0.92 C ATOM 0 H ALA B 24 1.182 -11.750 9.650 1.00 0.89 H new ATOM 0 HA ALA B 24 2.571 -10.612 11.706 1.00 0.87 H new ATOM 0 HB1 ALA B 24 0.392 -9.622 12.339 1.00 0.92 H new ATOM 0 HB2 ALA B 24 0.647 -9.582 10.578 1.00 0.92 H new ATOM 0 HB3 ALA B 24 -0.439 -10.797 11.293 1.00 0.92 H new ATOM 2010 N ARG B 25 0.706 -13.163 12.649 1.00 1.04 N ATOM 2011 CA ARG B 25 0.401 -14.078 13.736 1.00 1.14 C ATOM 2012 C ARG B 25 1.661 -14.590 14.425 1.00 1.18 C ATOM 2013 O ARG B 25 1.576 -14.941 15.599 1.00 1.31 O ATOM 2014 CB ARG B 25 -0.525 -15.210 13.251 1.00 1.26 C ATOM 2015 CG ARG B 25 0.212 -16.374 12.571 1.00 1.72 C ATOM 2016 CD ARG B 25 0.509 -17.520 13.549 1.00 2.05 C ATOM 2017 NE ARG B 25 1.601 -18.369 13.049 1.00 2.54 N ATOM 2018 CZ ARG B 25 2.136 -19.411 13.704 1.00 3.25 C ATOM 2019 NH1 ARG B 25 1.593 -19.836 14.850 1.00 4.03 N ATOM 2020 NH2 ARG B 25 3.219 -20.004 13.202 1.00 3.86 N ATOM 0 H ARG B 25 0.299 -13.437 11.755 1.00 1.04 H new ATOM 0 HA ARG B 25 -0.144 -13.526 14.501 1.00 1.14 H new ATOM 0 HB2 ARG B 25 -1.085 -15.596 14.102 1.00 1.26 H new ATOM 0 HB3 ARG B 25 -1.252 -14.796 12.552 1.00 1.26 H new ATOM 0 HG2 ARG B 25 -0.391 -16.750 11.744 1.00 1.72 H new ATOM 0 HG3 ARG B 25 1.147 -16.011 12.144 1.00 1.72 H new ATOM 0 HD2 ARG B 25 0.778 -17.111 14.523 1.00 2.05 H new ATOM 0 HD3 ARG B 25 -0.388 -18.122 13.693 1.00 2.05 H new ATOM 0 HE ARG B 25 1.983 -18.148 12.129 1.00 2.54 H new ATOM 0 HH11 ARG B 25 0.770 -19.368 15.229 1.00 4.03 H new ATOM 0 HH12 ARG B 25 2.002 -20.628 15.345 1.00 4.03 H new ATOM 0 HH21 ARG B 25 3.629 -19.665 12.332 1.00 3.86 H new ATOM 0 HH22 ARG B 25 3.638 -20.797 13.688 1.00 3.86 H new ATOM 2034 N GLN B 26 2.783 -14.697 13.700 1.00 1.14 N ATOM 2035 CA GLN B 26 3.790 -15.680 14.046 1.00 1.19 C ATOM 2036 C GLN B 26 4.240 -15.650 15.508 1.00 1.30 C ATOM 2037 O GLN B 26 4.061 -16.652 16.201 1.00 1.38 O ATOM 2038 CB GLN B 26 5.002 -15.496 13.122 1.00 1.20 C ATOM 2039 CG GLN B 26 5.558 -16.799 12.582 1.00 1.37 C ATOM 2040 CD GLN B 26 4.777 -17.284 11.362 1.00 1.46 C ATOM 2041 OE1 GLN B 26 3.828 -18.058 11.498 1.00 1.75 O ATOM 2042 NE2 GLN B 26 5.148 -16.837 10.170 1.00 1.86 N ATOM 0 H GLN B 26 3.004 -14.122 12.887 1.00 1.14 H new ATOM 0 HA GLN B 26 3.326 -16.657 13.909 1.00 1.19 H new ATOM 0 HB2 GLN B 26 4.717 -14.858 12.285 1.00 1.20 H new ATOM 0 HB3 GLN B 26 5.788 -14.974 13.667 1.00 1.20 H new ATOM 0 HG2 GLN B 26 6.606 -16.664 12.313 1.00 1.37 H new ATOM 0 HG3 GLN B 26 5.524 -17.560 13.362 1.00 1.37 H new ATOM 0 HE21 GLN B 26 5.938 -16.197 10.089 1.00 1.86 H new ATOM 0 HE22 GLN B 26 4.643 -17.133 9.335 1.00 1.86 H new ATOM 2051 N GLU B 27 4.891 -14.564 15.940 1.00 1.36 N ATOM 2052 CA GLU B 27 5.596 -14.621 17.213 1.00 1.47 C ATOM 2053 C GLU B 27 4.739 -14.189 18.406 1.00 1.48 C ATOM 2054 O GLU B 27 4.181 -15.014 19.123 1.00 1.42 O ATOM 2055 CB GLU B 27 6.855 -13.756 17.068 1.00 1.65 C ATOM 2056 CG GLU B 27 7.797 -14.308 15.995 1.00 1.94 C ATOM 2057 CD GLU B 27 9.051 -13.460 15.912 1.00 2.52 C ATOM 2058 OE1 GLU B 27 8.918 -12.260 15.566 1.00 2.62 O ATOM 2059 OE2 GLU B 27 10.117 -14.032 16.229 1.00 3.98 O ATOM 0 H GLU B 27 4.942 -13.673 15.447 1.00 1.36 H new ATOM 0 HA GLU B 27 5.857 -15.656 17.435 1.00 1.47 H new ATOM 0 HB2 GLU B 27 6.569 -12.736 16.812 1.00 1.65 H new ATOM 0 HB3 GLU B 27 7.378 -13.710 18.023 1.00 1.65 H new ATOM 0 HG2 GLU B 27 8.062 -15.339 16.229 1.00 1.94 H new ATOM 0 HG3 GLU B 27 7.292 -14.319 15.029 1.00 1.94 H new ATOM 2066 N GLY B 28 4.557 -12.874 18.562 1.00 1.80 N ATOM 2067 CA GLY B 28 3.443 -12.213 19.212 1.00 1.89 C ATOM 2068 C GLY B 28 2.378 -11.866 18.185 1.00 1.48 C ATOM 2069 O GLY B 28 2.742 -11.603 17.035 1.00 1.50 O ATOM 0 H GLY B 28 5.239 -12.203 18.208 1.00 1.80 H new ATOM 0 HA2 GLY B 28 3.022 -12.861 19.981 1.00 1.89 H new ATOM 0 HA3 GLY B 28 3.787 -11.308 19.712 1.00 1.89 H new ATOM 2073 N ARG B 29 1.138 -11.652 18.640 1.00 1.49 N ATOM 2074 CA ARG B 29 0.241 -10.628 18.105 1.00 1.43 C ATOM 2075 C ARG B 29 0.100 -10.619 16.576 1.00 1.34 C ATOM 2076 O ARG B 29 0.956 -10.069 15.863 1.00 1.21 O ATOM 2077 CB ARG B 29 0.696 -9.242 18.560 1.00 1.43 C ATOM 2078 CG ARG B 29 0.404 -8.877 20.016 1.00 2.05 C ATOM 2079 CD ARG B 29 0.834 -7.406 20.151 1.00 2.27 C ATOM 2080 NE ARG B 29 0.635 -6.821 21.481 1.00 2.97 N ATOM 2081 CZ ARG B 29 -0.560 -6.574 22.039 1.00 2.79 C ATOM 2082 NH1 ARG B 29 -1.677 -6.807 21.338 1.00 2.82 N ATOM 2083 NH2 ARG B 29 -0.650 -6.106 23.289 1.00 3.76 N ATOM 0 H ARG B 29 0.727 -12.194 19.400 1.00 1.49 H new ATOM 0 HA ARG B 29 -0.741 -10.883 18.503 1.00 1.43 H new ATOM 0 HB2 ARG B 29 1.771 -9.164 18.397 1.00 1.43 H new ATOM 0 HB3 ARG B 29 0.222 -8.499 17.919 1.00 1.43 H new ATOM 0 HG2 ARG B 29 -0.653 -9.002 20.250 1.00 2.05 H new ATOM 0 HG3 ARG B 29 0.960 -9.516 20.702 1.00 2.05 H new ATOM 0 HD2 ARG B 29 1.889 -7.326 19.890 1.00 2.27 H new ATOM 0 HD3 ARG B 29 0.280 -6.813 19.423 1.00 2.27 H new ATOM 0 HE ARG B 29 1.467 -6.584 22.022 1.00 2.97 H new ATOM 0 HH11 ARG B 29 -1.616 -7.170 20.387 1.00 2.82 H new ATOM 0 HH12 ARG B 29 -2.589 -6.622 21.755 1.00 2.82 H new ATOM 0 HH21 ARG B 29 0.197 -5.932 23.831 1.00 3.76 H new ATOM 0 HH22 ARG B 29 -1.565 -5.923 23.700 1.00 3.76 H new ATOM 2097 N LYS B 30 -1.022 -11.155 16.094 1.00 1.42 N ATOM 2098 CA LYS B 30 -1.464 -11.154 14.701 1.00 1.32 C ATOM 2099 C LYS B 30 -1.845 -9.769 14.155 1.00 1.28 C ATOM 2100 O LYS B 30 -2.730 -9.657 13.311 1.00 1.66 O ATOM 2101 CB LYS B 30 -2.636 -12.144 14.572 1.00 1.49 C ATOM 2102 CG LYS B 30 -3.886 -11.668 15.333 1.00 1.71 C ATOM 2103 CD LYS B 30 -4.946 -12.772 15.384 1.00 1.97 C ATOM 2104 CE LYS B 30 -6.191 -12.239 16.109 1.00 2.46 C ATOM 2105 NZ LYS B 30 -7.235 -13.273 16.257 1.00 3.16 N ATOM 0 H LYS B 30 -1.687 -11.630 16.704 1.00 1.42 H new ATOM 0 HA LYS B 30 -0.618 -11.462 14.086 1.00 1.32 H new ATOM 0 HB2 LYS B 30 -2.883 -12.277 13.519 1.00 1.49 H new ATOM 0 HB3 LYS B 30 -2.330 -13.118 14.953 1.00 1.49 H new ATOM 0 HG2 LYS B 30 -3.611 -11.375 16.346 1.00 1.71 H new ATOM 0 HG3 LYS B 30 -4.298 -10.784 14.847 1.00 1.71 H new ATOM 0 HD2 LYS B 30 -5.206 -13.091 14.375 1.00 1.97 H new ATOM 0 HD3 LYS B 30 -4.554 -13.646 15.903 1.00 1.97 H new ATOM 0 HE2 LYS B 30 -5.906 -11.870 17.094 1.00 2.46 H new ATOM 0 HE3 LYS B 30 -6.597 -11.392 15.556 1.00 2.46 H new ATOM 0 HZ1 LYS B 30 -8.056 -12.869 16.751 1.00 3.16 H new ATOM 0 HZ2 LYS B 30 -7.527 -13.608 15.317 1.00 3.16 H new ATOM 0 HZ3 LYS B 30 -6.858 -14.071 16.807 1.00 3.16 H new ATOM 2119 N ASP B 31 -1.183 -8.714 14.622 1.00 1.32 N ATOM 2120 CA ASP B 31 -1.633 -7.341 14.460 1.00 1.29 C ATOM 2121 C ASP B 31 -0.390 -6.488 14.270 1.00 1.14 C ATOM 2122 O ASP B 31 -0.194 -5.842 13.245 1.00 1.27 O ATOM 2123 CB ASP B 31 -2.413 -6.913 15.714 1.00 1.66 C ATOM 2124 CG ASP B 31 -3.701 -7.709 15.885 1.00 2.79 C ATOM 2125 OD1 ASP B 31 -4.728 -7.255 15.335 1.00 3.35 O ATOM 2126 OD2 ASP B 31 -3.630 -8.761 16.561 1.00 4.12 O ATOM 0 H ASP B 31 -0.303 -8.794 15.132 1.00 1.32 H new ATOM 0 HA ASP B 31 -2.296 -7.229 13.602 1.00 1.29 H new ATOM 0 HB2 ASP B 31 -1.785 -7.047 16.595 1.00 1.66 H new ATOM 0 HB3 ASP B 31 -2.649 -5.851 15.649 1.00 1.66 H new ATOM 2131 N SER B 32 0.485 -6.554 15.271 1.00 1.08 N ATOM 2132 CA SER B 32 1.820 -6.024 15.199 1.00 1.06 C ATOM 2133 C SER B 32 2.668 -7.030 14.424 1.00 0.96 C ATOM 2134 O SER B 32 2.950 -8.138 14.921 1.00 1.12 O ATOM 2135 CB SER B 32 2.335 -5.835 16.623 1.00 1.34 C ATOM 2136 OG SER B 32 2.168 -7.050 17.313 1.00 2.02 O ATOM 0 H SER B 32 0.269 -6.989 16.168 1.00 1.08 H new ATOM 0 HA SER B 32 1.858 -5.060 14.691 1.00 1.06 H new ATOM 0 HB2 SER B 32 3.386 -5.545 16.612 1.00 1.34 H new ATOM 0 HB3 SER B 32 1.788 -5.035 17.123 1.00 1.34 H new ATOM 0 HG SER B 32 2.364 -7.798 16.711 1.00 2.02 H new ATOM 2142 N LEU B 33 3.096 -6.651 13.223 1.00 1.09 N ATOM 2143 CA LEU B 33 4.197 -7.340 12.580 1.00 1.16 C ATOM 2144 C LEU B 33 5.397 -7.254 13.532 1.00 1.26 C ATOM 2145 O LEU B 33 5.620 -6.222 14.168 1.00 1.30 O ATOM 2146 CB LEU B 33 4.484 -6.750 11.190 1.00 1.08 C ATOM 2147 CG LEU B 33 3.715 -7.395 10.034 1.00 1.18 C ATOM 2148 CD1 LEU B 33 4.268 -8.785 9.699 1.00 1.96 C ATOM 2149 CD2 LEU B 33 2.212 -7.406 10.327 1.00 1.85 C ATOM 0 H LEU B 33 2.700 -5.880 12.686 1.00 1.09 H new ATOM 0 HA LEU B 33 3.958 -8.388 12.397 1.00 1.16 H new ATOM 0 HB2 LEU B 33 4.251 -5.685 11.210 1.00 1.08 H new ATOM 0 HB3 LEU B 33 5.552 -6.839 10.989 1.00 1.08 H new ATOM 0 HG LEU B 33 3.861 -6.790 9.139 1.00 1.18 H new ATOM 0 HD11 LEU B 33 3.699 -9.214 8.874 1.00 1.96 H new ATOM 0 HD12 LEU B 33 5.316 -8.700 9.411 1.00 1.96 H new ATOM 0 HD13 LEU B 33 4.183 -9.431 10.573 1.00 1.96 H new ATOM 0 HD21 LEU B 33 1.682 -7.868 9.494 1.00 1.85 H new ATOM 0 HD22 LEU B 33 2.023 -7.975 11.238 1.00 1.85 H new ATOM 0 HD23 LEU B 33 1.859 -6.383 10.458 1.00 1.85 H new ATOM 2161 N SER B 34 6.091 -8.373 13.711 1.00 1.60 N ATOM 2162 CA SER B 34 7.183 -8.531 14.659 1.00 1.72 C ATOM 2163 C SER B 34 8.506 -8.651 13.882 1.00 1.45 C ATOM 2164 O SER B 34 8.514 -9.090 12.729 1.00 1.66 O ATOM 2165 CB SER B 34 6.848 -9.754 15.532 1.00 2.36 C ATOM 2166 OG SER B 34 5.503 -9.632 16.025 1.00 3.47 O ATOM 0 H SER B 34 5.900 -9.223 13.181 1.00 1.60 H new ATOM 0 HA SER B 34 7.305 -7.674 15.321 1.00 1.72 H new ATOM 0 HB2 SER B 34 6.953 -10.670 14.950 1.00 2.36 H new ATOM 0 HB3 SER B 34 7.548 -9.823 16.365 1.00 2.36 H new ATOM 2172 N VAL B 35 9.646 -8.256 14.461 1.00 1.19 N ATOM 2173 CA VAL B 35 10.914 -8.342 13.734 1.00 1.06 C ATOM 2174 C VAL B 35 11.555 -9.713 13.922 1.00 1.04 C ATOM 2175 O VAL B 35 12.771 -9.840 14.010 1.00 2.05 O ATOM 2176 CB VAL B 35 11.842 -7.197 14.174 1.00 1.46 C ATOM 2177 CG1 VAL B 35 12.337 -7.294 15.625 1.00 1.69 C ATOM 2178 CG2 VAL B 35 13.012 -6.951 13.206 1.00 2.40 C ATOM 0 H VAL B 35 9.716 -7.883 15.408 1.00 1.19 H new ATOM 0 HA VAL B 35 10.728 -8.229 12.666 1.00 1.06 H new ATOM 0 HB VAL B 35 11.194 -6.322 14.134 1.00 1.46 H new ATOM 0 HG11 VAL B 35 12.984 -6.445 15.846 1.00 1.69 H new ATOM 0 HG12 VAL B 35 11.483 -7.285 16.302 1.00 1.69 H new ATOM 0 HG13 VAL B 35 12.895 -8.221 15.758 1.00 1.69 H new ATOM 0 HG21 VAL B 35 13.625 -6.130 13.578 1.00 2.40 H new ATOM 0 HG22 VAL B 35 13.619 -7.853 13.132 1.00 2.40 H new ATOM 0 HG23 VAL B 35 12.622 -6.695 12.221 1.00 2.40 H new ATOM 2188 N ASN B 36 10.749 -10.746 13.713 1.00 1.10 N ATOM 2189 CA ASN B 36 11.120 -11.955 13.014 1.00 1.12 C ATOM 2190 C ASN B 36 9.807 -12.583 12.524 1.00 1.21 C ATOM 2191 O ASN B 36 9.530 -13.769 12.649 1.00 1.70 O ATOM 2192 CB ASN B 36 11.992 -12.761 13.968 1.00 1.37 C ATOM 2193 CG ASN B 36 12.199 -14.207 13.541 1.00 1.53 C ATOM 2194 OD1 ASN B 36 12.838 -14.472 12.526 1.00 2.18 O ATOM 2195 ND2 ASN B 36 11.684 -15.146 14.327 1.00 1.76 N ATOM 0 H ASN B 36 9.783 -10.758 14.041 1.00 1.10 H new ATOM 0 HA ASN B 36 11.731 -11.840 12.118 1.00 1.12 H new ATOM 0 HB2 ASN B 36 12.964 -12.275 14.055 1.00 1.37 H new ATOM 0 HB3 ASN B 36 11.539 -12.746 14.959 1.00 1.37 H new ATOM 0 HD21 ASN B 36 11.813 -16.131 14.096 1.00 1.76 H new ATOM 0 HD22 ASN B 36 11.160 -14.882 15.161 1.00 1.76 H new ATOM 2202 N GLU B 37 9.072 -11.709 11.834 1.00 1.06 N ATOM 2203 CA GLU B 37 7.968 -11.912 10.909 1.00 1.27 C ATOM 2204 C GLU B 37 8.305 -11.062 9.691 1.00 1.22 C ATOM 2205 O GLU B 37 8.289 -11.546 8.560 1.00 1.33 O ATOM 2206 CB GLU B 37 6.648 -11.405 11.500 1.00 1.55 C ATOM 2207 CG GLU B 37 6.090 -12.364 12.543 1.00 1.18 C ATOM 2208 CD GLU B 37 5.067 -11.713 13.456 1.00 1.23 C ATOM 2209 OE1 GLU B 37 4.625 -10.567 13.214 1.00 1.70 O ATOM 2210 OE2 GLU B 37 4.709 -12.244 14.529 1.00 1.73 O ATOM 0 H GLU B 37 9.268 -10.712 11.928 1.00 1.06 H new ATOM 0 HA GLU B 37 7.846 -12.971 10.681 1.00 1.27 H new ATOM 0 HB2 GLU B 37 6.805 -10.426 11.953 1.00 1.55 H new ATOM 0 HB3 GLU B 37 5.919 -11.273 10.701 1.00 1.55 H new ATOM 0 HG2 GLU B 37 5.631 -13.214 12.039 1.00 1.18 H new ATOM 0 HG3 GLU B 37 6.910 -12.755 13.145 1.00 1.18 H new ATOM 2217 N PHE B 38 8.661 -9.788 9.924 1.00 1.11 N ATOM 2218 CA PHE B 38 9.174 -8.956 8.847 1.00 1.11 C ATOM 2219 C PHE B 38 10.296 -9.687 8.107 1.00 1.06 C ATOM 2220 O PHE B 38 10.185 -9.908 6.901 1.00 1.11 O ATOM 2221 CB PHE B 38 9.613 -7.570 9.345 1.00 1.13 C ATOM 2222 CG PHE B 38 8.739 -6.462 8.794 1.00 0.83 C ATOM 2223 CD1 PHE B 38 8.826 -6.125 7.431 1.00 2.09 C ATOM 2224 CD2 PHE B 38 7.723 -5.903 9.587 1.00 2.16 C ATOM 2225 CE1 PHE B 38 7.886 -5.249 6.865 1.00 2.15 C ATOM 2226 CE2 PHE B 38 6.767 -5.047 9.009 1.00 2.91 C ATOM 2227 CZ PHE B 38 6.843 -4.727 7.644 1.00 2.18 C ATOM 0 H PHE B 38 8.602 -9.328 10.832 1.00 1.11 H new ATOM 0 HA PHE B 38 8.364 -8.776 8.141 1.00 1.11 H new ATOM 0 HB2 PHE B 38 9.579 -7.550 10.434 1.00 1.13 H new ATOM 0 HB3 PHE B 38 10.648 -7.392 9.055 1.00 1.13 H new ATOM 0 HD1 PHE B 38 9.615 -6.540 6.821 1.00 2.09 H new ATOM 0 HD2 PHE B 38 7.675 -6.130 10.642 1.00 2.16 H new ATOM 0 HE1 PHE B 38 7.967 -4.975 5.823 1.00 2.15 H new ATOM 0 HE2 PHE B 38 5.974 -4.636 9.616 1.00 2.91 H new ATOM 0 HZ PHE B 38 6.102 -4.082 7.196 1.00 2.18 H new ATOM 2237 N LYS B 39 11.360 -10.099 8.815 1.00 0.99 N ATOM 2238 CA LYS B 39 12.456 -10.766 8.126 1.00 1.00 C ATOM 2239 C LYS B 39 11.984 -12.042 7.423 1.00 0.97 C ATOM 2240 O LYS B 39 12.382 -12.250 6.278 1.00 0.97 O ATOM 2241 CB LYS B 39 13.752 -10.932 8.936 1.00 1.07 C ATOM 2242 CG LYS B 39 14.872 -11.323 7.944 1.00 1.18 C ATOM 2243 CD LYS B 39 16.309 -11.214 8.474 1.00 1.50 C ATOM 2244 CE LYS B 39 16.735 -9.742 8.636 1.00 1.57 C ATOM 2245 NZ LYS B 39 18.148 -9.483 8.270 1.00 2.73 N ATOM 0 H LYS B 39 11.477 -9.985 9.822 1.00 0.99 H new ATOM 0 HA LYS B 39 12.769 -10.071 7.347 1.00 1.00 H new ATOM 0 HB2 LYS B 39 14.003 -10.005 9.452 1.00 1.07 H new ATOM 0 HB3 LYS B 39 13.631 -11.700 9.700 1.00 1.07 H new ATOM 0 HG2 LYS B 39 14.702 -12.350 7.621 1.00 1.18 H new ATOM 0 HG3 LYS B 39 14.783 -10.692 7.060 1.00 1.18 H new ATOM 0 HD2 LYS B 39 16.385 -11.725 9.434 1.00 1.50 H new ATOM 0 HD3 LYS B 39 16.991 -11.719 7.790 1.00 1.50 H new ATOM 0 HE2 LYS B 39 16.089 -9.117 8.019 1.00 1.57 H new ATOM 0 HE3 LYS B 39 16.577 -9.440 9.671 1.00 1.57 H new ATOM 0 HZ1 LYS B 39 18.598 -8.908 9.010 1.00 2.73 H new ATOM 0 HZ2 LYS B 39 18.654 -10.387 8.178 1.00 2.73 H new ATOM 0 HZ3 LYS B 39 18.184 -8.972 7.365 1.00 2.73 H new ATOM 2259 N GLU B 40 11.125 -12.860 8.048 1.00 0.97 N ATOM 2260 CA GLU B 40 10.542 -14.007 7.359 1.00 0.97 C ATOM 2261 C GLU B 40 9.950 -13.575 6.022 1.00 0.95 C ATOM 2262 O GLU B 40 10.204 -14.208 5.005 1.00 1.02 O ATOM 2263 CB GLU B 40 9.408 -14.670 8.149 1.00 1.02 C ATOM 2264 CG GLU B 40 9.794 -15.284 9.496 1.00 1.15 C ATOM 2265 CD GLU B 40 8.592 -16.014 10.098 1.00 1.99 C ATOM 2266 OE1 GLU B 40 7.466 -15.485 9.952 1.00 3.26 O ATOM 2267 OE2 GLU B 40 8.799 -17.119 10.640 1.00 2.68 O ATOM 0 H GLU B 40 10.825 -12.747 9.016 1.00 0.97 H new ATOM 0 HA GLU B 40 11.357 -14.720 7.235 1.00 0.97 H new ATOM 0 HB2 GLU B 40 8.630 -13.926 8.322 1.00 1.02 H new ATOM 0 HB3 GLU B 40 8.970 -15.452 7.529 1.00 1.02 H new ATOM 0 HG2 GLU B 40 10.624 -15.978 9.365 1.00 1.15 H new ATOM 0 HG3 GLU B 40 10.135 -14.504 10.177 1.00 1.15 H new ATOM 2274 N LEU B 41 9.153 -12.506 6.028 1.00 0.90 N ATOM 2275 CA LEU B 41 8.362 -12.115 4.880 1.00 0.84 C ATOM 2276 C LEU B 41 9.306 -11.697 3.763 1.00 0.71 C ATOM 2277 O LEU B 41 9.156 -12.144 2.626 1.00 0.71 O ATOM 2278 CB LEU B 41 7.369 -11.015 5.291 1.00 0.92 C ATOM 2279 CG LEU B 41 6.493 -10.524 4.125 1.00 0.87 C ATOM 2280 CD1 LEU B 41 5.040 -10.354 4.584 1.00 1.73 C ATOM 2281 CD2 LEU B 41 7.008 -9.185 3.583 1.00 1.62 C ATOM 0 H LEU B 41 9.043 -11.891 6.835 1.00 0.90 H new ATOM 0 HA LEU B 41 7.762 -12.944 4.505 1.00 0.84 H new ATOM 0 HB2 LEU B 41 6.726 -11.393 6.086 1.00 0.92 H new ATOM 0 HB3 LEU B 41 7.922 -10.171 5.703 1.00 0.92 H new ATOM 0 HG LEU B 41 6.541 -11.272 3.334 1.00 0.87 H new ATOM 0 HD11 LEU B 41 4.433 -10.006 3.748 1.00 1.73 H new ATOM 0 HD12 LEU B 41 4.656 -11.311 4.938 1.00 1.73 H new ATOM 0 HD13 LEU B 41 4.997 -9.624 5.392 1.00 1.73 H new ATOM 0 HD21 LEU B 41 6.373 -8.858 2.760 1.00 1.62 H new ATOM 0 HD22 LEU B 41 6.986 -8.439 4.377 1.00 1.62 H new ATOM 0 HD23 LEU B 41 8.031 -9.306 3.227 1.00 1.62 H new ATOM 2293 N VAL B 42 10.306 -10.872 4.096 1.00 0.66 N ATOM 2294 CA VAL B 42 11.214 -10.361 3.085 1.00 0.63 C ATOM 2295 C VAL B 42 12.092 -11.486 2.545 1.00 0.71 C ATOM 2296 O VAL B 42 12.277 -11.612 1.338 1.00 0.78 O ATOM 2297 CB VAL B 42 12.021 -9.143 3.557 1.00 0.63 C ATOM 2298 CG1 VAL B 42 11.179 -7.861 3.512 1.00 0.64 C ATOM 2299 CG2 VAL B 42 12.724 -9.233 4.904 1.00 0.64 C ATOM 0 H VAL B 42 10.498 -10.553 5.046 1.00 0.66 H new ATOM 0 HA VAL B 42 10.610 -9.985 2.259 1.00 0.63 H new ATOM 0 HB VAL B 42 12.833 -9.121 2.830 1.00 0.63 H new ATOM 0 HG11 VAL B 42 11.781 -7.018 3.852 1.00 0.64 H new ATOM 0 HG12 VAL B 42 10.846 -7.680 2.490 1.00 0.64 H new ATOM 0 HG13 VAL B 42 10.311 -7.973 4.162 1.00 0.64 H new ATOM 0 HG21 VAL B 42 13.252 -8.300 5.102 1.00 0.64 H new ATOM 0 HG22 VAL B 42 11.987 -9.406 5.688 1.00 0.64 H new ATOM 0 HG23 VAL B 42 13.437 -10.057 4.888 1.00 0.64 H new ATOM 2309 N THR B 43 12.614 -12.315 3.444 1.00 0.80 N ATOM 2310 CA THR B 43 13.436 -13.459 3.098 1.00 0.97 C ATOM 2311 C THR B 43 12.666 -14.414 2.182 1.00 1.04 C ATOM 2312 O THR B 43 13.184 -14.855 1.158 1.00 1.12 O ATOM 2313 CB THR B 43 13.850 -14.137 4.408 1.00 1.07 C ATOM 2314 OG1 THR B 43 14.626 -13.228 5.160 1.00 1.03 O ATOM 2315 CG2 THR B 43 14.671 -15.412 4.195 1.00 1.26 C ATOM 0 H THR B 43 12.473 -12.205 4.448 1.00 0.80 H new ATOM 0 HA THR B 43 14.325 -13.150 2.547 1.00 0.97 H new ATOM 0 HB THR B 43 12.934 -14.422 4.926 1.00 1.07 H new ATOM 0 HG1 THR B 43 14.034 -12.606 5.632 1.00 1.03 H new ATOM 0 HG21 THR B 43 14.932 -15.843 5.162 1.00 1.26 H new ATOM 0 HG22 THR B 43 14.084 -16.131 3.624 1.00 1.26 H new ATOM 0 HG23 THR B 43 15.582 -15.171 3.648 1.00 1.26 H new ATOM 2323 N GLN B 44 11.446 -14.770 2.585 1.00 1.04 N ATOM 2324 CA GLN B 44 10.675 -15.827 1.966 1.00 1.11 C ATOM 2325 C GLN B 44 9.998 -15.333 0.682 1.00 1.12 C ATOM 2326 O GLN B 44 10.226 -15.908 -0.380 1.00 1.20 O ATOM 2327 CB GLN B 44 9.700 -16.396 3.008 1.00 1.15 C ATOM 2328 CG GLN B 44 8.895 -17.590 2.475 1.00 1.28 C ATOM 2329 CD GLN B 44 7.792 -18.027 3.436 1.00 1.39 C ATOM 2330 OE1 GLN B 44 6.718 -18.436 3.005 1.00 2.01 O ATOM 2331 NE2 GLN B 44 8.026 -17.950 4.744 1.00 1.64 N ATOM 0 H GLN B 44 10.966 -14.319 3.364 1.00 1.04 H new ATOM 0 HA GLN B 44 11.324 -16.642 1.645 1.00 1.11 H new ATOM 0 HB2 GLN B 44 10.258 -16.705 3.892 1.00 1.15 H new ATOM 0 HB3 GLN B 44 9.013 -15.611 3.323 1.00 1.15 H new ATOM 0 HG2 GLN B 44 8.452 -17.326 1.515 1.00 1.28 H new ATOM 0 HG3 GLN B 44 9.569 -18.428 2.296 1.00 1.28 H new ATOM 0 HE21 GLN B 44 8.925 -17.607 5.082 1.00 1.64 H new ATOM 0 HE22 GLN B 44 7.306 -18.234 5.408 1.00 1.64 H new ATOM 2340 N GLN B 45 9.139 -14.310 0.759 1.00 1.10 N ATOM 2341 CA GLN B 45 8.300 -13.966 -0.384 1.00 1.21 C ATOM 2342 C GLN B 45 9.063 -13.242 -1.493 1.00 1.23 C ATOM 2343 O GLN B 45 8.877 -13.588 -2.655 1.00 1.36 O ATOM 2344 CB GLN B 45 7.062 -13.144 0.016 1.00 1.34 C ATOM 2345 CG GLN B 45 5.937 -13.985 0.637 1.00 1.44 C ATOM 2346 CD GLN B 45 6.026 -14.057 2.154 1.00 2.14 C ATOM 2347 OE1 GLN B 45 6.954 -14.644 2.693 1.00 3.17 O ATOM 2348 NE2 GLN B 45 5.061 -13.475 2.860 1.00 3.23 N ATOM 0 H GLN B 45 9.011 -13.721 1.582 1.00 1.10 H new ATOM 0 HA GLN B 45 7.965 -14.925 -0.779 1.00 1.21 H new ATOM 0 HB2 GLN B 45 7.362 -12.374 0.726 1.00 1.34 H new ATOM 0 HB3 GLN B 45 6.676 -12.632 -0.866 1.00 1.34 H new ATOM 0 HG2 GLN B 45 4.974 -13.561 0.353 1.00 1.44 H new ATOM 0 HG3 GLN B 45 5.975 -14.994 0.227 1.00 1.44 H new ATOM 0 HE21 GLN B 45 4.300 -12.993 2.382 1.00 3.23 H new ATOM 0 HE22 GLN B 45 5.082 -13.511 3.879 1.00 3.23 H new ATOM 2357 N LEU B 46 9.809 -12.183 -1.165 1.00 1.16 N ATOM 2358 CA LEU B 46 10.082 -11.071 -2.085 1.00 1.12 C ATOM 2359 C LEU B 46 10.701 -11.473 -3.435 1.00 1.37 C ATOM 2360 O LEU B 46 10.512 -10.763 -4.424 1.00 1.61 O ATOM 2361 CB LEU B 46 10.869 -9.961 -1.374 1.00 1.26 C ATOM 2362 CG LEU B 46 10.004 -9.001 -0.525 1.00 0.86 C ATOM 2363 CD1 LEU B 46 9.428 -7.859 -1.366 1.00 1.65 C ATOM 2364 CD2 LEU B 46 8.820 -9.648 0.204 1.00 1.79 C ATOM 0 H LEU B 46 10.244 -12.071 -0.249 1.00 1.16 H new ATOM 0 HA LEU B 46 9.107 -10.676 -2.369 1.00 1.12 H new ATOM 0 HB2 LEU B 46 11.618 -10.421 -0.729 1.00 1.26 H new ATOM 0 HB3 LEU B 46 11.407 -9.379 -2.122 1.00 1.26 H new ATOM 0 HG LEU B 46 10.711 -8.644 0.224 1.00 0.86 H new ATOM 0 HD11 LEU B 46 8.827 -7.208 -0.732 1.00 1.65 H new ATOM 0 HD12 LEU B 46 10.243 -7.285 -1.807 1.00 1.65 H new ATOM 0 HD13 LEU B 46 8.804 -8.270 -2.159 1.00 1.65 H new ATOM 0 HD21 LEU B 46 8.281 -8.887 0.769 1.00 1.79 H new ATOM 0 HD22 LEU B 46 8.149 -10.103 -0.524 1.00 1.79 H new ATOM 0 HD23 LEU B 46 9.188 -10.414 0.886 1.00 1.79 H new ATOM 2376 N PRO B 47 11.451 -12.579 -3.524 1.00 1.58 N ATOM 2377 CA PRO B 47 12.758 -12.671 -2.896 1.00 1.38 C ATOM 2378 C PRO B 47 13.740 -11.650 -3.508 1.00 1.17 C ATOM 2379 O PRO B 47 14.836 -11.474 -2.984 1.00 1.51 O ATOM 2380 CB PRO B 47 13.215 -14.092 -3.227 1.00 1.70 C ATOM 2381 CG PRO B 47 12.705 -14.276 -4.658 1.00 2.23 C ATOM 2382 CD PRO B 47 11.393 -13.485 -4.665 1.00 2.39 C ATOM 0 HA PRO B 47 12.721 -12.462 -1.827 1.00 1.38 H new ATOM 0 HB2 PRO B 47 14.298 -14.195 -3.165 1.00 1.70 H new ATOM 0 HB3 PRO B 47 12.786 -14.826 -2.545 1.00 1.70 H new ATOM 0 HG2 PRO B 47 13.413 -13.889 -5.391 1.00 2.23 H new ATOM 0 HG3 PRO B 47 12.543 -15.327 -4.896 1.00 2.23 H new ATOM 0 HD2 PRO B 47 11.280 -12.930 -5.596 1.00 2.39 H new ATOM 0 HD3 PRO B 47 10.536 -14.154 -4.586 1.00 2.39 H new ATOM 2390 N HIS B 48 13.373 -11.029 -4.642 1.00 1.19 N ATOM 2391 CA HIS B 48 14.206 -10.127 -5.426 1.00 1.25 C ATOM 2392 C HIS B 48 13.657 -8.698 -5.402 1.00 1.19 C ATOM 2393 O HIS B 48 14.436 -7.751 -5.491 1.00 1.79 O ATOM 2394 CB HIS B 48 14.280 -10.647 -6.867 1.00 1.43 C ATOM 2395 CG HIS B 48 15.255 -9.884 -7.732 1.00 1.69 C ATOM 2396 ND1 HIS B 48 16.569 -10.223 -7.955 1.00 2.57 N ATOM 2397 CD2 HIS B 48 15.009 -8.716 -8.405 1.00 2.50 C ATOM 2398 CE1 HIS B 48 17.102 -9.274 -8.745 1.00 2.55 C ATOM 2399 NE2 HIS B 48 16.193 -8.332 -9.041 1.00 2.41 N ATOM 0 H HIS B 48 12.445 -11.153 -5.047 1.00 1.19 H new ATOM 0 HA HIS B 48 15.204 -10.099 -4.990 1.00 1.25 H new ATOM 0 HB2 HIS B 48 14.566 -11.699 -6.851 1.00 1.43 H new ATOM 0 HB3 HIS B 48 13.288 -10.593 -7.316 1.00 1.43 H new ATOM 0 HD2 HIS B 48 14.068 -8.187 -8.438 1.00 2.50 H new ATOM 0 HE1 HIS B 48 18.124 -9.270 -9.094 1.00 2.55 H new ATOM 0 HE2 HIS B 48 16.337 -7.502 -9.615 1.00 2.41 H new ATOM 2407 N LEU B 49 12.329 -8.526 -5.324 1.00 0.98 N ATOM 2408 CA LEU B 49 11.692 -7.210 -5.395 1.00 0.93 C ATOM 2409 C LEU B 49 12.355 -6.247 -4.406 1.00 1.00 C ATOM 2410 O LEU B 49 12.822 -5.171 -4.780 1.00 1.37 O ATOM 2411 CB LEU B 49 10.191 -7.380 -5.128 1.00 0.88 C ATOM 2412 CG LEU B 49 9.402 -6.064 -5.212 1.00 0.80 C ATOM 2413 CD1 LEU B 49 9.214 -5.617 -6.663 1.00 0.97 C ATOM 2414 CD2 LEU B 49 8.016 -6.270 -4.604 1.00 0.79 C ATOM 0 H LEU B 49 11.670 -9.297 -5.210 1.00 0.98 H new ATOM 0 HA LEU B 49 11.818 -6.775 -6.386 1.00 0.93 H new ATOM 0 HB2 LEU B 49 9.780 -8.088 -5.848 1.00 0.88 H new ATOM 0 HB3 LEU B 49 10.053 -7.815 -4.138 1.00 0.88 H new ATOM 0 HG LEU B 49 9.965 -5.303 -4.672 1.00 0.80 H new ATOM 0 HD11 LEU B 49 8.652 -4.683 -6.686 1.00 0.97 H new ATOM 0 HD12 LEU B 49 10.189 -5.465 -7.126 1.00 0.97 H new ATOM 0 HD13 LEU B 49 8.667 -6.383 -7.212 1.00 0.97 H new ATOM 0 HD21 LEU B 49 7.452 -5.339 -4.661 1.00 0.79 H new ATOM 0 HD22 LEU B 49 7.489 -7.048 -5.156 1.00 0.79 H new ATOM 0 HD23 LEU B 49 8.117 -6.570 -3.561 1.00 0.79 H new ATOM 2426 N LEU B 50 12.451 -6.681 -3.149 1.00 0.84 N ATOM 2427 CA LEU B 50 13.469 -6.222 -2.224 1.00 0.91 C ATOM 2428 C LEU B 50 14.541 -7.309 -2.217 1.00 1.12 C ATOM 2429 O LEU B 50 14.220 -8.492 -2.313 1.00 2.10 O ATOM 2430 CB LEU B 50 12.878 -5.976 -0.835 1.00 1.14 C ATOM 2431 CG LEU B 50 11.876 -4.810 -0.830 1.00 0.76 C ATOM 2432 CD1 LEU B 50 11.195 -4.749 0.538 1.00 1.14 C ATOM 2433 CD2 LEU B 50 12.542 -3.456 -1.114 1.00 0.89 C ATOM 0 H LEU B 50 11.814 -7.369 -2.747 1.00 0.84 H new ATOM 0 HA LEU B 50 13.895 -5.265 -2.527 1.00 0.91 H new ATOM 0 HB2 LEU B 50 12.381 -6.882 -0.488 1.00 1.14 H new ATOM 0 HB3 LEU B 50 13.683 -5.764 -0.131 1.00 1.14 H new ATOM 0 HG LEU B 50 11.154 -4.994 -1.626 1.00 0.76 H new ATOM 0 HD11 LEU B 50 10.482 -3.925 0.553 1.00 1.14 H new ATOM 0 HD12 LEU B 50 10.671 -5.686 0.726 1.00 1.14 H new ATOM 0 HD13 LEU B 50 11.946 -4.592 1.312 1.00 1.14 H new ATOM 0 HD21 LEU B 50 11.788 -2.669 -1.098 1.00 0.89 H new ATOM 0 HD22 LEU B 50 13.294 -3.253 -0.351 1.00 0.89 H new ATOM 0 HD23 LEU B 50 13.018 -3.483 -2.094 1.00 0.89 H new ATOM 2445 N LYS B 51 15.802 -6.885 -2.169 1.00 0.94 N ATOM 2446 CA LYS B 51 17.002 -7.682 -2.411 1.00 1.20 C ATOM 2447 C LYS B 51 18.068 -7.265 -1.395 1.00 1.34 C ATOM 2448 O LYS B 51 19.266 -7.278 -1.667 1.00 2.94 O ATOM 2449 CB LYS B 51 17.487 -7.449 -3.855 1.00 1.68 C ATOM 2450 CG LYS B 51 17.655 -5.958 -4.205 1.00 2.02 C ATOM 2451 CD LYS B 51 16.361 -5.359 -4.782 1.00 3.51 C ATOM 2452 CE LYS B 51 16.340 -3.828 -4.847 1.00 4.27 C ATOM 2453 NZ LYS B 51 16.551 -3.192 -3.529 1.00 4.98 N ATOM 0 H LYS B 51 16.027 -5.915 -1.946 1.00 0.94 H new ATOM 0 HA LYS B 51 16.794 -8.745 -2.293 1.00 1.20 H new ATOM 0 HB2 LYS B 51 18.440 -7.959 -3.998 1.00 1.68 H new ATOM 0 HB3 LYS B 51 16.777 -7.900 -4.547 1.00 1.68 H new ATOM 0 HG2 LYS B 51 17.945 -5.405 -3.312 1.00 2.02 H new ATOM 0 HG3 LYS B 51 18.463 -5.843 -4.927 1.00 2.02 H new ATOM 0 HD2 LYS B 51 16.210 -5.754 -5.786 1.00 3.51 H new ATOM 0 HD3 LYS B 51 15.519 -5.695 -4.177 1.00 3.51 H new ATOM 0 HE2 LYS B 51 17.113 -3.488 -5.536 1.00 4.27 H new ATOM 0 HE3 LYS B 51 15.383 -3.500 -5.254 1.00 4.27 H new ATOM 0 HZ1 LYS B 51 16.231 -2.203 -3.566 1.00 4.98 H new ATOM 0 HZ2 LYS B 51 16.008 -3.705 -2.805 1.00 4.98 H new ATOM 0 HZ3 LYS B 51 17.562 -3.220 -3.288 1.00 4.98 H new ATOM 2467 N ASP B 52 17.590 -6.805 -0.243 1.00 1.54 N ATOM 2468 CA ASP B 52 18.290 -5.925 0.679 1.00 1.80 C ATOM 2469 C ASP B 52 17.946 -6.346 2.111 1.00 1.33 C ATOM 2470 O ASP B 52 17.937 -5.541 3.043 1.00 1.54 O ATOM 2471 CB ASP B 52 17.918 -4.469 0.330 1.00 2.70 C ATOM 2472 CG ASP B 52 16.450 -4.290 -0.045 1.00 4.63 C ATOM 2473 OD1 ASP B 52 15.624 -4.167 0.879 1.00 5.23 O ATOM 2474 OD2 ASP B 52 16.171 -4.338 -1.271 1.00 6.10 O ATOM 0 H ASP B 52 16.656 -7.050 0.087 1.00 1.54 H new ATOM 0 HA ASP B 52 19.374 -5.998 0.594 1.00 1.80 H new ATOM 0 HB2 ASP B 52 18.148 -3.829 1.182 1.00 2.70 H new ATOM 0 HB3 ASP B 52 18.540 -4.132 -0.499 1.00 2.70 H new ATOM 2479 N VAL B 53 17.724 -7.655 2.285 1.00 1.06 N ATOM 2480 CA VAL B 53 17.258 -8.280 3.516 1.00 1.06 C ATOM 2481 C VAL B 53 18.351 -8.365 4.587 1.00 1.44 C ATOM 2482 O VAL B 53 18.063 -8.679 5.746 1.00 1.70 O ATOM 2483 CB VAL B 53 16.651 -9.660 3.206 1.00 1.02 C ATOM 2484 CG1 VAL B 53 15.591 -9.543 2.103 1.00 1.30 C ATOM 2485 CG2 VAL B 53 17.702 -10.696 2.785 1.00 1.49 C ATOM 0 H VAL B 53 17.873 -8.331 1.536 1.00 1.06 H new ATOM 0 HA VAL B 53 16.481 -7.643 3.939 1.00 1.06 H new ATOM 0 HB VAL B 53 16.196 -10.009 4.133 1.00 1.02 H new ATOM 0 HG11 VAL B 53 15.172 -10.527 1.896 1.00 1.30 H new ATOM 0 HG12 VAL B 53 14.797 -8.872 2.431 1.00 1.30 H new ATOM 0 HG13 VAL B 53 16.050 -9.146 1.198 1.00 1.30 H new ATOM 0 HG21 VAL B 53 17.213 -11.648 2.580 1.00 1.49 H new ATOM 0 HG22 VAL B 53 18.214 -10.350 1.887 1.00 1.49 H new ATOM 0 HG23 VAL B 53 18.427 -10.826 3.589 1.00 1.49 H new ATOM 2495 N GLY B 54 19.606 -8.081 4.225 1.00 1.80 N ATOM 2496 CA GLY B 54 20.628 -7.764 5.209 1.00 2.43 C ATOM 2497 C GLY B 54 20.155 -6.529 5.967 1.00 2.16 C ATOM 2498 O GLY B 54 19.776 -6.616 7.137 1.00 2.45 O ATOM 0 H GLY B 54 19.931 -8.066 3.258 1.00 1.80 H new ATOM 0 HA2 GLY B 54 20.778 -8.601 5.892 1.00 2.43 H new ATOM 0 HA3 GLY B 54 21.585 -7.574 4.723 1.00 2.43 H new ATOM 2502 N SER B 55 20.062 -5.410 5.244 1.00 1.80 N ATOM 2503 CA SER B 55 19.564 -4.118 5.690 1.00 1.88 C ATOM 2504 C SER B 55 18.042 -4.106 5.890 1.00 1.52 C ATOM 2505 O SER B 55 17.365 -3.119 5.607 1.00 1.67 O ATOM 2506 CB SER B 55 20.013 -3.093 4.636 1.00 2.28 C ATOM 2507 OG SER B 55 19.936 -3.688 3.348 1.00 3.69 O ATOM 0 H SER B 55 20.354 -5.387 4.267 1.00 1.80 H new ATOM 0 HA SER B 55 19.971 -3.875 6.672 1.00 1.88 H new ATOM 0 HB2 SER B 55 19.380 -2.207 4.679 1.00 2.28 H new ATOM 0 HB3 SER B 55 21.033 -2.766 4.839 1.00 2.28 H new ATOM 0 HG SER B 55 19.110 -4.211 3.278 1.00 3.69 H new ATOM 2513 N LEU B 56 17.486 -5.184 6.442 1.00 1.23 N ATOM 2514 CA LEU B 56 16.138 -5.188 6.952 1.00 0.92 C ATOM 2515 C LEU B 56 16.069 -4.213 8.126 1.00 0.83 C ATOM 2516 O LEU B 56 15.031 -3.600 8.338 1.00 0.77 O ATOM 2517 CB LEU B 56 15.809 -6.638 7.324 1.00 0.88 C ATOM 2518 CG LEU B 56 14.372 -6.947 7.768 1.00 0.77 C ATOM 2519 CD1 LEU B 56 14.199 -6.744 9.275 1.00 0.97 C ATOM 2520 CD2 LEU B 56 13.344 -6.164 6.953 1.00 0.68 C ATOM 0 H LEU B 56 17.969 -6.077 6.543 1.00 1.23 H new ATOM 0 HA LEU B 56 15.395 -4.852 6.229 1.00 0.92 H new ATOM 0 HB2 LEU B 56 16.038 -7.266 6.463 1.00 0.88 H new ATOM 0 HB3 LEU B 56 16.482 -6.940 8.127 1.00 0.88 H new ATOM 0 HG LEU B 56 14.185 -8.002 7.566 1.00 0.77 H new ATOM 0 HD11 LEU B 56 13.171 -6.971 9.557 1.00 0.97 H new ATOM 0 HD12 LEU B 56 14.877 -7.407 9.812 1.00 0.97 H new ATOM 0 HD13 LEU B 56 14.425 -5.709 9.531 1.00 0.97 H new ATOM 0 HD21 LEU B 56 12.340 -6.412 7.299 1.00 0.68 H new ATOM 0 HD22 LEU B 56 13.518 -5.095 7.079 1.00 0.68 H new ATOM 0 HD23 LEU B 56 13.439 -6.426 5.899 1.00 0.68 H new ATOM 2532 N ASP B 57 17.177 -4.029 8.862 1.00 1.10 N ATOM 2533 CA ASP B 57 17.264 -3.030 9.919 1.00 1.20 C ATOM 2534 C ASP B 57 16.789 -1.667 9.403 1.00 1.17 C ATOM 2535 O ASP B 57 15.896 -1.082 10.007 1.00 1.15 O ATOM 2536 CB ASP B 57 18.675 -2.979 10.536 1.00 1.65 C ATOM 2537 CG ASP B 57 19.604 -2.031 9.795 1.00 3.30 C ATOM 2538 OD1 ASP B 57 19.777 -2.264 8.579 1.00 4.14 O ATOM 2539 OD2 ASP B 57 20.021 -1.032 10.426 1.00 4.50 O ATOM 0 H ASP B 57 18.031 -4.571 8.735 1.00 1.10 H new ATOM 0 HA ASP B 57 16.595 -3.320 10.729 1.00 1.20 H new ATOM 0 HB2 ASP B 57 18.601 -2.668 11.578 1.00 1.65 H new ATOM 0 HB3 ASP B 57 19.105 -3.980 10.532 1.00 1.65 H new ATOM 2544 N GLU B 58 17.342 -1.182 8.281 1.00 1.31 N ATOM 2545 CA GLU B 58 16.917 0.051 7.629 1.00 1.45 C ATOM 2546 C GLU B 58 15.399 0.065 7.517 1.00 1.21 C ATOM 2547 O GLU B 58 14.738 0.984 7.998 1.00 1.24 O ATOM 2548 CB GLU B 58 17.546 0.190 6.229 1.00 1.84 C ATOM 2549 CG GLU B 58 17.000 1.425 5.488 1.00 2.34 C ATOM 2550 CD GLU B 58 17.411 1.473 4.026 1.00 2.56 C ATOM 2551 OE1 GLU B 58 18.603 1.243 3.723 1.00 2.62 O ATOM 2552 OE2 GLU B 58 16.561 1.833 3.176 1.00 3.30 O ATOM 0 H GLU B 58 18.110 -1.649 7.799 1.00 1.31 H new ATOM 0 HA GLU B 58 17.253 0.894 8.233 1.00 1.45 H new ATOM 0 HB2 GLU B 58 18.629 0.269 6.321 1.00 1.84 H new ATOM 0 HB3 GLU B 58 17.340 -0.707 5.645 1.00 1.84 H new ATOM 0 HG2 GLU B 58 15.912 1.429 5.554 1.00 2.34 H new ATOM 0 HG3 GLU B 58 17.353 2.327 5.988 1.00 2.34 H new ATOM 2559 N LYS B 59 14.853 -0.938 6.826 1.00 1.10 N ATOM 2560 CA LYS B 59 13.440 -0.943 6.510 1.00 1.07 C ATOM 2561 C LYS B 59 12.622 -0.939 7.801 1.00 0.95 C ATOM 2562 O LYS B 59 11.768 -0.077 7.966 1.00 1.02 O ATOM 2563 CB LYS B 59 13.086 -2.099 5.562 1.00 1.06 C ATOM 2564 CG LYS B 59 13.800 -2.045 4.195 1.00 1.20 C ATOM 2565 CD LYS B 59 13.117 -1.186 3.110 1.00 2.08 C ATOM 2566 CE LYS B 59 13.255 0.332 3.324 1.00 3.18 C ATOM 2567 NZ LYS B 59 12.893 1.124 2.130 1.00 4.69 N ATOM 0 H LYS B 59 15.370 -1.747 6.481 1.00 1.10 H new ATOM 0 HA LYS B 59 13.184 -0.033 5.967 1.00 1.07 H new ATOM 0 HB2 LYS B 59 13.333 -3.042 6.050 1.00 1.06 H new ATOM 0 HB3 LYS B 59 12.009 -2.099 5.396 1.00 1.06 H new ATOM 0 HG2 LYS B 59 14.810 -1.665 4.349 1.00 1.20 H new ATOM 0 HG3 LYS B 59 13.897 -3.063 3.817 1.00 1.20 H new ATOM 0 HD2 LYS B 59 13.540 -1.444 2.139 1.00 2.08 H new ATOM 0 HD3 LYS B 59 12.058 -1.441 3.074 1.00 2.08 H new ATOM 0 HE2 LYS B 59 12.621 0.634 4.158 1.00 3.18 H new ATOM 0 HE3 LYS B 59 14.283 0.561 3.606 1.00 3.18 H new ATOM 0 HZ1 LYS B 59 13.526 1.946 2.053 1.00 4.69 H new ATOM 0 HZ2 LYS B 59 12.988 0.533 1.280 1.00 4.69 H new ATOM 0 HZ3 LYS B 59 11.910 1.452 2.216 1.00 4.69 H new ATOM 2581 N MET B 60 12.902 -1.850 8.734 1.00 0.86 N ATOM 2582 CA MET B 60 12.186 -1.943 10.002 1.00 0.87 C ATOM 2583 C MET B 60 12.245 -0.611 10.746 1.00 0.85 C ATOM 2584 O MET B 60 11.234 -0.114 11.223 1.00 0.86 O ATOM 2585 CB MET B 60 12.732 -3.093 10.858 1.00 1.02 C ATOM 2586 CG MET B 60 11.773 -3.416 12.021 1.00 1.29 C ATOM 2587 SD MET B 60 12.474 -3.436 13.692 1.00 1.81 S ATOM 2588 CE MET B 60 12.935 -1.705 13.910 1.00 2.08 C ATOM 0 H MET B 60 13.638 -2.548 8.628 1.00 0.86 H new ATOM 0 HA MET B 60 11.139 -2.164 9.794 1.00 0.87 H new ATOM 0 HB2 MET B 60 12.870 -3.979 10.238 1.00 1.02 H new ATOM 0 HB3 MET B 60 13.712 -2.824 11.253 1.00 1.02 H new ATOM 0 HG2 MET B 60 10.963 -2.687 12.003 1.00 1.29 H new ATOM 0 HG3 MET B 60 11.327 -4.392 11.830 1.00 1.29 H new ATOM 0 HE1 MET B 60 13.380 -1.568 14.896 1.00 2.08 H new ATOM 0 HE2 MET B 60 13.656 -1.421 13.144 1.00 2.08 H new ATOM 0 HE3 MET B 60 12.047 -1.078 13.823 1.00 2.08 H new ATOM 2598 N LYS B 61 13.433 -0.023 10.830 1.00 0.93 N ATOM 2599 CA LYS B 61 13.682 1.251 11.483 1.00 0.97 C ATOM 2600 C LYS B 61 12.869 2.366 10.807 1.00 0.94 C ATOM 2601 O LYS B 61 12.285 3.205 11.489 1.00 0.97 O ATOM 2602 CB LYS B 61 15.203 1.439 11.444 1.00 1.25 C ATOM 2603 CG LYS B 61 15.846 2.587 12.225 1.00 1.79 C ATOM 2604 CD LYS B 61 17.288 2.190 12.611 1.00 1.86 C ATOM 2605 CE LYS B 61 18.129 1.659 11.427 1.00 3.32 C ATOM 2606 NZ LYS B 61 19.386 1.008 11.854 1.00 4.13 N ATOM 0 H LYS B 61 14.276 -0.436 10.431 1.00 0.93 H new ATOM 0 HA LYS B 61 13.351 1.283 12.521 1.00 0.97 H new ATOM 0 HB2 LYS B 61 15.655 0.512 11.797 1.00 1.25 H new ATOM 0 HB3 LYS B 61 15.490 1.555 10.399 1.00 1.25 H new ATOM 0 HG2 LYS B 61 15.855 3.494 11.621 1.00 1.79 H new ATOM 0 HG3 LYS B 61 15.264 2.805 13.120 1.00 1.79 H new ATOM 0 HD2 LYS B 61 17.790 3.056 13.041 1.00 1.86 H new ATOM 0 HD3 LYS B 61 17.249 1.426 13.388 1.00 1.86 H new ATOM 0 HE2 LYS B 61 17.533 0.946 10.857 1.00 3.32 H new ATOM 0 HE3 LYS B 61 18.364 2.486 10.757 1.00 3.32 H new ATOM 0 HZ1 LYS B 61 19.598 0.212 11.219 1.00 4.13 H new ATOM 0 HZ2 LYS B 61 20.164 1.697 11.817 1.00 4.13 H new ATOM 0 HZ3 LYS B 61 19.281 0.656 12.827 1.00 4.13 H new ATOM 2620 N SER B 62 12.792 2.348 9.473 1.00 1.02 N ATOM 2621 CA SER B 62 11.990 3.286 8.691 1.00 1.15 C ATOM 2622 C SER B 62 10.484 3.023 8.833 1.00 1.14 C ATOM 2623 O SER B 62 9.674 3.942 8.724 1.00 1.33 O ATOM 2624 CB SER B 62 12.402 3.212 7.217 1.00 1.25 C ATOM 2625 OG SER B 62 13.796 3.411 7.079 1.00 1.48 O ATOM 0 H SER B 62 13.294 1.670 8.900 1.00 1.02 H new ATOM 0 HA SER B 62 12.179 4.287 9.079 1.00 1.15 H new ATOM 0 HB2 SER B 62 12.125 2.242 6.805 1.00 1.25 H new ATOM 0 HB3 SER B 62 11.863 3.967 6.645 1.00 1.25 H new ATOM 0 HG SER B 62 14.272 2.608 7.378 1.00 1.48 H new ATOM 2631 N LEU B 63 10.090 1.766 9.034 1.00 1.01 N ATOM 2632 CA LEU B 63 8.703 1.367 9.207 1.00 1.07 C ATOM 2633 C LEU B 63 8.211 1.809 10.590 1.00 1.04 C ATOM 2634 O LEU B 63 7.204 2.509 10.705 1.00 1.12 O ATOM 2635 CB LEU B 63 8.583 -0.160 9.047 1.00 1.04 C ATOM 2636 CG LEU B 63 8.751 -0.676 7.608 1.00 1.18 C ATOM 2637 CD1 LEU B 63 9.187 -2.145 7.584 1.00 1.52 C ATOM 2638 CD2 LEU B 63 7.416 -0.610 6.881 1.00 1.43 C ATOM 0 H LEU B 63 10.743 0.984 9.081 1.00 1.01 H new ATOM 0 HA LEU B 63 8.083 1.846 8.449 1.00 1.07 H new ATOM 0 HB2 LEU B 63 9.333 -0.637 9.678 1.00 1.04 H new ATOM 0 HB3 LEU B 63 7.608 -0.474 9.418 1.00 1.04 H new ATOM 0 HG LEU B 63 9.507 -0.052 7.132 1.00 1.18 H new ATOM 0 HD11 LEU B 63 9.296 -2.475 6.551 1.00 1.52 H new ATOM 0 HD12 LEU B 63 10.141 -2.250 8.101 1.00 1.52 H new ATOM 0 HD13 LEU B 63 8.435 -2.756 8.083 1.00 1.52 H new ATOM 0 HD21 LEU B 63 7.538 -0.976 5.862 1.00 1.43 H new ATOM 0 HD22 LEU B 63 6.686 -1.228 7.404 1.00 1.43 H new ATOM 0 HD23 LEU B 63 7.066 0.422 6.856 1.00 1.43 H new ATOM 2650 N ASP B 64 8.929 1.387 11.631 1.00 0.95 N ATOM 2651 CA ASP B 64 8.517 1.320 13.028 1.00 1.03 C ATOM 2652 C ASP B 64 8.359 2.651 13.768 1.00 1.14 C ATOM 2653 O ASP B 64 7.929 2.631 14.921 1.00 1.26 O ATOM 2654 CB ASP B 64 9.359 0.309 13.821 1.00 1.13 C ATOM 2655 CG ASP B 64 8.703 -0.028 15.153 1.00 1.22 C ATOM 2656 OD1 ASP B 64 7.487 -0.323 15.160 1.00 1.41 O ATOM 2657 OD2 ASP B 64 9.383 0.077 16.190 1.00 1.55 O ATOM 0 H ASP B 64 9.887 1.059 11.507 1.00 0.95 H new ATOM 0 HA ASP B 64 7.491 0.957 12.970 1.00 1.03 H new ATOM 0 HB2 ASP B 64 9.487 -0.601 13.235 1.00 1.13 H new ATOM 0 HB3 ASP B 64 10.354 0.718 13.996 1.00 1.13 H new ATOM 2662 N VAL B 65 8.807 3.766 13.170 1.00 1.16 N ATOM 2663 CA VAL B 65 9.480 4.962 13.707 1.00 1.28 C ATOM 2664 C VAL B 65 9.125 5.457 15.121 1.00 1.42 C ATOM 2665 O VAL B 65 9.901 6.210 15.699 1.00 1.51 O ATOM 2666 CB VAL B 65 9.286 6.134 12.722 1.00 1.31 C ATOM 2667 CG1 VAL B 65 9.825 5.809 11.326 1.00 1.42 C ATOM 2668 CG2 VAL B 65 7.812 6.548 12.595 1.00 1.69 C ATOM 0 H VAL B 65 8.690 3.863 12.161 1.00 1.16 H new ATOM 0 HA VAL B 65 10.510 4.621 13.814 1.00 1.28 H new ATOM 0 HB VAL B 65 9.855 6.963 13.142 1.00 1.31 H new ATOM 0 HG11 VAL B 65 9.667 6.663 10.667 1.00 1.42 H new ATOM 0 HG12 VAL B 65 10.891 5.592 11.389 1.00 1.42 H new ATOM 0 HG13 VAL B 65 9.301 4.940 10.927 1.00 1.42 H new ATOM 0 HG21 VAL B 65 7.726 7.376 11.891 1.00 1.69 H new ATOM 0 HG22 VAL B 65 7.226 5.702 12.234 1.00 1.69 H new ATOM 0 HG23 VAL B 65 7.436 6.860 13.570 1.00 1.69 H new ATOM 2678 N ASN B 66 8.001 5.044 15.705 1.00 1.49 N ATOM 2679 CA ASN B 66 7.876 4.939 17.160 1.00 1.79 C ATOM 2680 C ASN B 66 9.163 4.366 17.772 1.00 1.71 C ATOM 2681 O ASN B 66 9.607 4.832 18.815 1.00 1.92 O ATOM 2682 CB ASN B 66 6.740 3.981 17.567 1.00 2.27 C ATOM 2683 CG ASN B 66 5.484 4.017 16.706 1.00 1.57 C ATOM 2684 OD1 ASN B 66 5.007 2.968 16.265 1.00 1.86 O ATOM 2685 ND2 ASN B 66 4.943 5.201 16.436 1.00 2.23 N ATOM 0 H ASN B 66 7.161 4.776 15.192 1.00 1.49 H new ATOM 0 HA ASN B 66 7.673 5.947 17.522 1.00 1.79 H new ATOM 0 HB2 ASN B 66 7.131 2.964 17.558 1.00 2.27 H new ATOM 0 HB3 ASN B 66 6.456 4.205 18.595 1.00 2.27 H new ATOM 0 HD21 ASN B 66 4.110 5.260 15.850 1.00 2.23 H new ATOM 0 HD22 ASN B 66 5.360 6.051 16.815 1.00 2.23 H new ATOM 2692 N GLN B 67 9.711 3.320 17.135 1.00 1.56 N ATOM 2693 CA GLN B 67 10.813 2.506 17.641 1.00 1.67 C ATOM 2694 C GLN B 67 10.362 1.749 18.895 1.00 1.66 C ATOM 2695 O GLN B 67 10.912 1.923 19.980 1.00 1.70 O ATOM 2696 CB GLN B 67 12.112 3.310 17.815 1.00 2.03 C ATOM 2697 CG GLN B 67 12.559 3.911 16.474 1.00 2.11 C ATOM 2698 CD GLN B 67 13.955 4.522 16.538 1.00 2.05 C ATOM 2699 OE1 GLN B 67 14.136 5.715 16.319 1.00 2.75 O ATOM 2700 NE2 GLN B 67 14.969 3.705 16.813 1.00 2.86 N ATOM 0 H GLN B 67 9.383 3.011 16.220 1.00 1.56 H new ATOM 0 HA GLN B 67 11.074 1.757 16.894 1.00 1.67 H new ATOM 0 HB2 GLN B 67 11.959 4.106 18.543 1.00 2.03 H new ATOM 0 HB3 GLN B 67 12.896 2.664 18.210 1.00 2.03 H new ATOM 0 HG2 GLN B 67 12.542 3.135 15.709 1.00 2.11 H new ATOM 0 HG3 GLN B 67 11.846 4.676 16.168 1.00 2.11 H new ATOM 0 HE21 GLN B 67 14.793 2.716 16.992 1.00 2.86 H new ATOM 0 HE22 GLN B 67 15.922 4.068 16.845 1.00 2.86 H new ATOM 2709 N ASP B 68 9.345 0.903 18.705 1.00 1.75 N ATOM 2710 CA ASP B 68 8.711 0.047 19.708 1.00 1.71 C ATOM 2711 C ASP B 68 8.810 -1.456 19.368 1.00 1.69 C ATOM 2712 O ASP B 68 8.604 -2.284 20.253 1.00 2.27 O ATOM 2713 CB ASP B 68 7.251 0.494 19.933 1.00 1.63 C ATOM 2714 CG ASP B 68 6.388 0.356 18.695 1.00 1.46 C ATOM 2715 OD1 ASP B 68 6.572 -0.579 17.902 1.00 1.68 O ATOM 2716 OD2 ASP B 68 5.592 1.244 18.331 1.00 1.52 O ATOM 0 H ASP B 68 8.916 0.792 17.786 1.00 1.75 H new ATOM 0 HA ASP B 68 9.262 0.168 20.641 1.00 1.71 H new ATOM 0 HB2 ASP B 68 6.817 -0.098 20.739 1.00 1.63 H new ATOM 0 HB3 ASP B 68 7.242 1.534 20.260 1.00 1.63 H new ATOM 2721 N SER B 69 9.124 -1.831 18.119 1.00 1.49 N ATOM 2722 CA SER B 69 9.232 -3.203 17.627 1.00 1.47 C ATOM 2723 C SER B 69 7.883 -3.914 17.420 1.00 1.35 C ATOM 2724 O SER B 69 7.891 -5.095 17.063 1.00 1.48 O ATOM 2725 CB SER B 69 10.200 -4.040 18.479 1.00 1.67 C ATOM 2726 OG SER B 69 10.535 -5.227 17.784 1.00 3.40 O ATOM 0 H SER B 69 9.319 -1.145 17.390 1.00 1.49 H new ATOM 0 HA SER B 69 9.656 -3.113 16.627 1.00 1.47 H new ATOM 0 HB2 SER B 69 11.101 -3.466 18.695 1.00 1.67 H new ATOM 0 HB3 SER B 69 9.740 -4.284 19.437 1.00 1.67 H new ATOM 0 HG SER B 69 9.748 -5.557 17.303 1.00 3.40 H new ATOM 2732 N GLU B 70 6.750 -3.224 17.591 1.00 1.30 N ATOM 2733 CA GLU B 70 5.429 -3.669 17.168 1.00 1.27 C ATOM 2734 C GLU B 70 5.030 -2.847 15.932 1.00 1.22 C ATOM 2735 O GLU B 70 4.758 -1.643 16.029 1.00 1.23 O ATOM 2736 CB GLU B 70 4.386 -3.507 18.295 1.00 1.38 C ATOM 2737 CG GLU B 70 4.336 -4.681 19.302 1.00 1.72 C ATOM 2738 CD GLU B 70 3.011 -4.773 20.080 1.00 2.42 C ATOM 2739 OE1 GLU B 70 2.005 -4.235 19.571 1.00 2.85 O ATOM 2740 OE2 GLU B 70 2.988 -5.429 21.150 1.00 3.52 O ATOM 0 H GLU B 70 6.733 -2.310 18.044 1.00 1.30 H new ATOM 0 HA GLU B 70 5.461 -4.731 16.925 1.00 1.27 H new ATOM 0 HB2 GLU B 70 4.599 -2.587 18.840 1.00 1.38 H new ATOM 0 HB3 GLU B 70 3.400 -3.389 17.845 1.00 1.38 H new ATOM 0 HG2 GLU B 70 4.497 -5.616 18.765 1.00 1.72 H new ATOM 0 HG3 GLU B 70 5.157 -4.575 20.011 1.00 1.72 H new ATOM 2747 N LEU B 71 4.994 -3.485 14.760 1.00 1.25 N ATOM 2748 CA LEU B 71 4.655 -2.839 13.498 1.00 1.16 C ATOM 2749 C LEU B 71 3.138 -2.948 13.274 1.00 1.14 C ATOM 2750 O LEU B 71 2.659 -3.915 12.687 1.00 1.09 O ATOM 2751 CB LEU B 71 5.436 -3.511 12.363 1.00 1.07 C ATOM 2752 CG LEU B 71 6.943 -3.232 12.258 1.00 1.09 C ATOM 2753 CD1 LEU B 71 7.167 -1.810 11.758 1.00 1.16 C ATOM 2754 CD2 LEU B 71 7.748 -3.493 13.535 1.00 1.27 C ATOM 0 H LEU B 71 5.203 -4.479 14.664 1.00 1.25 H new ATOM 0 HA LEU B 71 4.926 -1.784 13.521 1.00 1.16 H new ATOM 0 HB2 LEU B 71 5.302 -4.589 12.459 1.00 1.07 H new ATOM 0 HB3 LEU B 71 4.976 -3.215 11.420 1.00 1.07 H new ATOM 0 HG LEU B 71 7.328 -3.958 11.542 1.00 1.09 H new ATOM 0 HD11 LEU B 71 8.237 -1.614 11.684 1.00 1.16 H new ATOM 0 HD12 LEU B 71 6.708 -1.693 10.776 1.00 1.16 H new ATOM 0 HD13 LEU B 71 6.716 -1.104 12.455 1.00 1.16 H new ATOM 0 HD21 LEU B 71 8.799 -3.266 13.355 1.00 1.27 H new ATOM 0 HD22 LEU B 71 7.372 -2.859 14.338 1.00 1.27 H new ATOM 0 HD23 LEU B 71 7.647 -4.540 13.821 1.00 1.27 H new ATOM 2766 N LYS B 72 2.396 -1.958 13.774 1.00 1.29 N ATOM 2767 CA LYS B 72 0.931 -1.879 13.863 1.00 1.32 C ATOM 2768 C LYS B 72 0.297 -1.349 12.556 1.00 1.22 C ATOM 2769 O LYS B 72 1.014 -1.009 11.614 1.00 1.17 O ATOM 2770 CB LYS B 72 0.657 -1.041 15.130 1.00 1.69 C ATOM 2771 CG LYS B 72 -0.577 -0.141 15.229 1.00 1.96 C ATOM 2772 CD LYS B 72 -0.625 0.592 16.585 1.00 2.37 C ATOM 2773 CE LYS B 72 0.704 1.116 17.180 1.00 2.59 C ATOM 2774 NZ LYS B 72 1.510 1.970 16.278 1.00 3.53 N ATOM 0 H LYS B 72 2.836 -1.122 14.159 1.00 1.29 H new ATOM 0 HA LYS B 72 0.452 -2.853 13.962 1.00 1.32 H new ATOM 0 HB2 LYS B 72 0.613 -1.736 15.969 1.00 1.69 H new ATOM 0 HB3 LYS B 72 1.529 -0.406 15.287 1.00 1.69 H new ATOM 0 HG2 LYS B 72 -0.565 0.588 14.419 1.00 1.96 H new ATOM 0 HG3 LYS B 72 -1.479 -0.741 15.105 1.00 1.96 H new ATOM 0 HD2 LYS B 72 -1.301 1.441 16.481 1.00 2.37 H new ATOM 0 HD3 LYS B 72 -1.072 -0.084 17.313 1.00 2.37 H new ATOM 0 HE2 LYS B 72 0.480 1.682 18.084 1.00 2.59 H new ATOM 0 HE3 LYS B 72 1.310 0.261 17.481 1.00 2.59 H new ATOM 0 HZ1 LYS B 72 2.407 1.492 16.057 1.00 3.53 H new ATOM 0 HZ2 LYS B 72 0.982 2.141 15.398 1.00 3.53 H new ATOM 0 HZ3 LYS B 72 1.708 2.878 16.745 1.00 3.53 H new ATOM 2788 N PHE B 73 -1.044 -1.266 12.459 1.00 1.31 N ATOM 2789 CA PHE B 73 -1.731 -1.016 11.184 1.00 1.33 C ATOM 2790 C PHE B 73 -1.782 0.476 10.783 1.00 1.27 C ATOM 2791 O PHE B 73 -2.817 0.980 10.357 1.00 1.39 O ATOM 2792 CB PHE B 73 -3.191 -1.508 11.278 1.00 1.68 C ATOM 2793 CG PHE B 73 -3.436 -2.945 11.701 1.00 1.80 C ATOM 2794 CD1 PHE B 73 -3.558 -3.947 10.718 1.00 2.55 C ATOM 2795 CD2 PHE B 73 -3.775 -3.241 13.038 1.00 3.40 C ATOM 2796 CE1 PHE B 73 -3.955 -5.247 11.076 1.00 3.78 C ATOM 2797 CE2 PHE B 73 -4.202 -4.534 13.387 1.00 4.48 C ATOM 2798 CZ PHE B 73 -4.286 -5.539 12.409 1.00 4.44 C ATOM 0 H PHE B 73 -1.673 -1.370 13.255 1.00 1.31 H new ATOM 0 HA PHE B 73 -1.155 -1.553 10.430 1.00 1.33 H new ATOM 0 HB2 PHE B 73 -3.717 -0.860 11.979 1.00 1.68 H new ATOM 0 HB3 PHE B 73 -3.655 -1.364 10.302 1.00 1.68 H new ATOM 0 HD1 PHE B 73 -3.346 -3.715 9.685 1.00 2.55 H new ATOM 0 HD2 PHE B 73 -3.706 -2.473 13.794 1.00 3.40 H new ATOM 0 HE1 PHE B 73 -4.005 -6.022 10.325 1.00 3.78 H new ATOM 0 HE2 PHE B 73 -4.466 -4.756 14.410 1.00 4.48 H new ATOM 0 HZ PHE B 73 -4.605 -6.534 12.682 1.00 4.44 H new ATOM 2808 N ASN B 74 -0.621 1.126 10.754 1.00 1.27 N ATOM 2809 CA ASN B 74 -0.058 1.827 9.592 1.00 1.04 C ATOM 2810 C ASN B 74 1.401 2.150 9.954 1.00 0.99 C ATOM 2811 O ASN B 74 1.901 3.274 9.922 1.00 1.37 O ATOM 2812 CB ASN B 74 -0.874 3.087 9.240 1.00 1.15 C ATOM 2813 CG ASN B 74 -0.071 4.049 8.374 1.00 1.66 C ATOM 2814 OD1 ASN B 74 0.447 3.687 7.326 1.00 2.60 O ATOM 2815 ND2 ASN B 74 0.152 5.252 8.881 1.00 2.28 N ATOM 0 H ASN B 74 -0.017 1.184 11.574 1.00 1.27 H new ATOM 0 HA ASN B 74 -0.099 1.209 8.695 1.00 1.04 H new ATOM 0 HB2 ASN B 74 -1.784 2.797 8.715 1.00 1.15 H new ATOM 0 HB3 ASN B 74 -1.181 3.591 10.157 1.00 1.15 H new ATOM 0 HD21 ASN B 74 0.769 5.903 8.396 1.00 2.28 H new ATOM 0 HD22 ASN B 74 -0.293 5.527 9.756 1.00 2.28 H new ATOM 2822 N GLU B 75 2.111 1.125 10.384 1.00 0.96 N ATOM 2823 CA GLU B 75 3.526 0.937 10.243 1.00 1.09 C ATOM 2824 C GLU B 75 3.787 0.078 9.014 1.00 0.96 C ATOM 2825 O GLU B 75 4.363 0.522 8.021 1.00 0.93 O ATOM 2826 CB GLU B 75 4.071 0.430 11.578 1.00 1.32 C ATOM 2827 CG GLU B 75 3.428 1.266 12.707 1.00 1.65 C ATOM 2828 CD GLU B 75 4.156 1.111 14.002 1.00 1.36 C ATOM 2829 OE1 GLU B 75 5.389 1.250 14.028 1.00 1.70 O ATOM 2830 OE2 GLU B 75 3.548 0.815 15.058 1.00 2.07 O ATOM 0 H GLU B 75 1.672 0.348 10.877 1.00 0.96 H new ATOM 0 HA GLU B 75 4.077 1.857 10.046 1.00 1.09 H new ATOM 0 HB2 GLU B 75 3.839 -0.627 11.707 1.00 1.32 H new ATOM 0 HB3 GLU B 75 5.157 0.523 11.606 1.00 1.32 H new ATOM 0 HG2 GLU B 75 3.419 2.317 12.420 1.00 1.65 H new ATOM 0 HG3 GLU B 75 2.389 0.962 12.836 1.00 1.65 H new ATOM 2837 N TYR B 76 3.283 -1.161 9.090 1.00 0.98 N ATOM 2838 CA TYR B 76 3.679 -2.220 8.178 1.00 0.92 C ATOM 2839 C TYR B 76 3.191 -1.988 6.758 1.00 1.00 C ATOM 2840 O TYR B 76 3.845 -2.473 5.835 1.00 1.18 O ATOM 2841 CB TYR B 76 3.270 -3.605 8.697 1.00 0.96 C ATOM 2842 CG TYR B 76 1.808 -3.981 8.535 1.00 1.82 C ATOM 2843 CD1 TYR B 76 1.359 -4.544 7.324 1.00 2.53 C ATOM 2844 CD2 TYR B 76 0.945 -3.943 9.645 1.00 3.61 C ATOM 2845 CE1 TYR B 76 0.064 -5.078 7.230 1.00 3.86 C ATOM 2846 CE2 TYR B 76 -0.329 -4.528 9.565 1.00 5.09 C ATOM 2847 CZ TYR B 76 -0.771 -5.096 8.359 1.00 4.97 C ATOM 2848 OH TYR B 76 -2.006 -5.672 8.290 1.00 6.51 O ATOM 0 H TYR B 76 2.593 -1.447 9.785 1.00 0.98 H new ATOM 0 HA TYR B 76 4.768 -2.194 8.138 1.00 0.92 H new ATOM 0 HB2 TYR B 76 3.874 -4.354 8.185 1.00 0.96 H new ATOM 0 HB3 TYR B 76 3.522 -3.661 9.756 1.00 0.96 H new ATOM 0 HD1 TYR B 76 2.013 -4.565 6.465 1.00 2.53 H new ATOM 0 HD2 TYR B 76 1.262 -3.464 10.559 1.00 3.61 H new ATOM 0 HE1 TYR B 76 -0.290 -5.475 6.290 1.00 3.86 H new ATOM 0 HE2 TYR B 76 -0.971 -4.541 10.433 1.00 5.09 H new ATOM 0 HH TYR B 76 -2.556 -5.358 9.038 1.00 6.51 H new ATOM 2858 N TRP B 77 2.084 -1.242 6.579 1.00 0.91 N ATOM 2859 CA TRP B 77 1.679 -0.815 5.246 1.00 0.83 C ATOM 2860 C TRP B 77 2.927 -0.303 4.526 1.00 0.78 C ATOM 2861 O TRP B 77 3.166 -0.721 3.397 1.00 0.80 O ATOM 2862 CB TRP B 77 0.500 0.206 5.239 1.00 0.83 C ATOM 2863 CG TRP B 77 0.590 1.335 4.236 1.00 0.90 C ATOM 2864 CD1 TRP B 77 1.132 1.277 3.001 1.00 1.54 C ATOM 2865 CD2 TRP B 77 0.116 2.715 4.305 1.00 2.14 C ATOM 2866 NE1 TRP B 77 1.571 2.541 2.683 1.00 2.00 N ATOM 2867 CE2 TRP B 77 0.900 3.496 3.408 1.00 2.37 C ATOM 2868 CE3 TRP B 77 -0.970 3.386 4.896 1.00 3.66 C ATOM 2869 CZ2 TRP B 77 0.789 4.899 3.333 1.00 3.64 C ATOM 2870 CZ3 TRP B 77 -1.305 4.653 4.384 1.00 4.68 C ATOM 2871 CH2 TRP B 77 -0.254 5.503 4.036 1.00 4.78 C ATOM 0 H TRP B 77 1.470 -0.932 7.332 1.00 0.91 H new ATOM 0 HA TRP B 77 1.265 -1.668 4.708 1.00 0.83 H new ATOM 0 HB2 TRP B 77 -0.424 -0.342 5.054 1.00 0.83 H new ATOM 0 HB3 TRP B 77 0.419 0.641 6.235 1.00 0.83 H new ATOM 0 HD1 TRP B 77 1.207 0.399 2.377 1.00 1.54 H new ATOM 0 HE1 TRP B 77 2.300 2.743 1.998 1.00 2.00 H new ATOM 0 HE3 TRP B 77 -1.525 2.946 5.711 1.00 3.66 H new ATOM 0 HZ2 TRP B 77 1.486 5.485 2.752 1.00 3.64 H new ATOM 0 HZ3 TRP B 77 -2.335 4.956 4.265 1.00 4.68 H new ATOM 0 HH2 TRP B 77 -0.248 6.552 4.292 1.00 4.78 H new ATOM 2882 N ARG B 78 3.715 0.591 5.139 1.00 0.79 N ATOM 2883 CA ARG B 78 4.713 1.340 4.386 1.00 0.76 C ATOM 2884 C ARG B 78 5.571 0.463 3.477 1.00 0.65 C ATOM 2885 O ARG B 78 5.824 0.893 2.365 1.00 0.72 O ATOM 2886 CB ARG B 78 5.558 2.267 5.265 1.00 0.82 C ATOM 2887 CG ARG B 78 4.791 3.548 5.609 1.00 1.21 C ATOM 2888 CD ARG B 78 5.647 4.551 6.404 1.00 1.59 C ATOM 2889 NE ARG B 78 5.822 4.185 7.822 1.00 2.80 N ATOM 2890 CZ ARG B 78 4.862 4.283 8.757 1.00 4.54 C ATOM 2891 NH1 ARG B 78 3.615 4.600 8.399 1.00 5.39 N ATOM 2892 NH2 ARG B 78 5.137 4.059 10.043 1.00 6.02 N ATOM 0 H ARG B 78 3.678 0.806 6.135 1.00 0.79 H new ATOM 0 HA ARG B 78 4.139 1.987 3.723 1.00 0.76 H new ATOM 0 HB2 ARG B 78 5.838 1.749 6.182 1.00 0.82 H new ATOM 0 HB3 ARG B 78 6.483 2.521 4.748 1.00 0.82 H new ATOM 0 HG2 ARG B 78 4.445 4.019 4.689 1.00 1.21 H new ATOM 0 HG3 ARG B 78 3.904 3.292 6.189 1.00 1.21 H new ATOM 0 HD2 ARG B 78 6.627 4.631 5.935 1.00 1.59 H new ATOM 0 HD3 ARG B 78 5.184 5.536 6.346 1.00 1.59 H new ATOM 0 HE ARG B 78 6.734 3.833 8.113 1.00 2.80 H new ATOM 0 HH11 ARG B 78 3.393 4.767 7.418 1.00 5.39 H new ATOM 0 HH12 ARG B 78 2.885 4.675 9.107 1.00 5.39 H new ATOM 0 HH21 ARG B 78 6.085 3.810 10.326 1.00 6.02 H new ATOM 0 HH22 ARG B 78 4.399 4.137 10.743 1.00 6.02 H new ATOM 2906 N LEU B 79 5.941 -0.769 3.857 1.00 0.56 N ATOM 2907 CA LEU B 79 6.663 -1.650 2.946 1.00 0.51 C ATOM 2908 C LEU B 79 5.920 -1.805 1.617 1.00 0.60 C ATOM 2909 O LEU B 79 6.490 -1.599 0.555 1.00 0.77 O ATOM 2910 CB LEU B 79 6.875 -3.036 3.570 1.00 0.57 C ATOM 2911 CG LEU B 79 7.974 -3.789 2.799 1.00 0.65 C ATOM 2912 CD1 LEU B 79 9.336 -3.436 3.402 1.00 0.57 C ATOM 2913 CD2 LEU B 79 7.734 -5.302 2.795 1.00 0.99 C ATOM 0 H LEU B 79 5.753 -1.168 4.777 1.00 0.56 H new ATOM 0 HA LEU B 79 7.633 -1.189 2.759 1.00 0.51 H new ATOM 0 HB2 LEU B 79 7.157 -2.934 4.618 1.00 0.57 H new ATOM 0 HB3 LEU B 79 5.945 -3.604 3.544 1.00 0.57 H new ATOM 0 HG LEU B 79 7.952 -3.476 1.755 1.00 0.65 H new ATOM 0 HD11 LEU B 79 10.121 -3.965 2.862 1.00 0.57 H new ATOM 0 HD12 LEU B 79 9.502 -2.362 3.323 1.00 0.57 H new ATOM 0 HD13 LEU B 79 9.356 -3.730 4.452 1.00 0.57 H new ATOM 0 HD21 LEU B 79 8.532 -5.796 2.241 1.00 0.99 H new ATOM 0 HD22 LEU B 79 7.723 -5.671 3.820 1.00 0.99 H new ATOM 0 HD23 LEU B 79 6.776 -5.517 2.321 1.00 0.99 H new ATOM 2925 N ILE B 80 4.637 -2.145 1.686 1.00 0.64 N ATOM 2926 CA ILE B 80 3.740 -2.346 0.553 1.00 0.83 C ATOM 2927 C ILE B 80 3.605 -1.011 -0.170 1.00 1.13 C ATOM 2928 O ILE B 80 3.617 -0.945 -1.400 1.00 1.28 O ATOM 2929 CB ILE B 80 2.356 -2.839 1.034 1.00 0.91 C ATOM 2930 CG1 ILE B 80 2.464 -3.997 2.044 1.00 1.13 C ATOM 2931 CG2 ILE B 80 1.510 -3.262 -0.177 1.00 1.30 C ATOM 2932 CD1 ILE B 80 1.096 -4.425 2.587 1.00 1.42 C ATOM 0 H ILE B 80 4.170 -2.296 2.580 1.00 0.64 H new ATOM 0 HA ILE B 80 4.143 -3.105 -0.117 1.00 0.83 H new ATOM 0 HB ILE B 80 1.871 -2.012 1.552 1.00 0.91 H new ATOM 0 HG12 ILE B 80 2.945 -4.850 1.565 1.00 1.13 H new ATOM 0 HG13 ILE B 80 3.103 -3.694 2.873 1.00 1.13 H new ATOM 0 HG21 ILE B 80 0.535 -3.609 0.164 1.00 1.30 H new ATOM 0 HG22 ILE B 80 1.379 -2.410 -0.845 1.00 1.30 H new ATOM 0 HG23 ILE B 80 2.015 -4.067 -0.711 1.00 1.30 H new ATOM 0 HD11 ILE B 80 1.225 -5.244 3.295 1.00 1.42 H new ATOM 0 HD12 ILE B 80 0.624 -3.581 3.091 1.00 1.42 H new ATOM 0 HD13 ILE B 80 0.464 -4.755 1.762 1.00 1.42 H new ATOM 2944 N GLY B 81 3.515 0.055 0.634 1.00 1.35 N ATOM 2945 CA GLY B 81 3.556 1.427 0.188 1.00 1.69 C ATOM 2946 C GLY B 81 4.693 1.586 -0.817 1.00 1.64 C ATOM 2947 O GLY B 81 4.528 2.080 -1.930 1.00 1.94 O ATOM 0 H GLY B 81 3.408 -0.031 1.645 1.00 1.35 H new ATOM 0 HA2 GLY B 81 2.606 1.703 -0.270 1.00 1.69 H new ATOM 0 HA3 GLY B 81 3.706 2.095 1.036 1.00 1.69 H new ATOM 2951 N GLU B 82 5.876 1.180 -0.347 1.00 1.33 N ATOM 2952 CA GLU B 82 7.145 1.340 -1.003 1.00 1.39 C ATOM 2953 C GLU B 82 7.174 0.465 -2.244 1.00 1.46 C ATOM 2954 O GLU B 82 7.447 0.991 -3.315 1.00 1.59 O ATOM 2955 CB GLU B 82 8.283 1.010 -0.025 1.00 1.15 C ATOM 2956 CG GLU B 82 8.301 1.925 1.207 1.00 1.02 C ATOM 2957 CD GLU B 82 9.574 2.746 1.268 1.00 1.23 C ATOM 2958 OE1 GLU B 82 10.594 2.200 1.750 1.00 1.95 O ATOM 2959 OE2 GLU B 82 9.511 3.893 0.770 1.00 2.18 O ATOM 0 H GLU B 82 5.962 0.706 0.552 1.00 1.33 H new ATOM 0 HA GLU B 82 7.286 2.374 -1.319 1.00 1.39 H new ATOM 0 HB2 GLU B 82 8.186 -0.026 0.300 1.00 1.15 H new ATOM 0 HB3 GLU B 82 9.237 1.092 -0.546 1.00 1.15 H new ATOM 0 HG2 GLU B 82 7.438 2.590 1.180 1.00 1.02 H new ATOM 0 HG3 GLU B 82 8.211 1.322 2.111 1.00 1.02 H new ATOM 2966 N LEU B 83 6.894 -0.839 -2.106 1.00 1.36 N ATOM 2967 CA LEU B 83 6.936 -1.829 -3.183 1.00 1.42 C ATOM 2968 C LEU B 83 6.367 -1.263 -4.483 1.00 1.45 C ATOM 2969 O LEU B 83 6.999 -1.364 -5.537 1.00 1.50 O ATOM 2970 CB LEU B 83 6.139 -3.091 -2.815 1.00 1.78 C ATOM 2971 CG LEU B 83 6.642 -3.952 -1.644 1.00 0.81 C ATOM 2972 CD1 LEU B 83 5.943 -5.317 -1.673 1.00 1.59 C ATOM 2973 CD2 LEU B 83 8.164 -4.097 -1.597 1.00 2.24 C ATOM 0 H LEU B 83 6.623 -1.243 -1.210 1.00 1.36 H new ATOM 0 HA LEU B 83 7.985 -2.087 -3.325 1.00 1.42 H new ATOM 0 HB2 LEU B 83 5.117 -2.786 -2.589 1.00 1.78 H new ATOM 0 HB3 LEU B 83 6.094 -3.726 -3.700 1.00 1.78 H new ATOM 0 HG LEU B 83 6.381 -3.430 -0.723 1.00 0.81 H new ATOM 0 HD11 LEU B 83 6.300 -5.926 -0.843 1.00 1.59 H new ATOM 0 HD12 LEU B 83 4.866 -5.176 -1.583 1.00 1.59 H new ATOM 0 HD13 LEU B 83 6.166 -5.820 -2.614 1.00 1.59 H new ATOM 0 HD21 LEU B 83 8.444 -4.717 -0.745 1.00 2.24 H new ATOM 0 HD22 LEU B 83 8.513 -4.565 -2.517 1.00 2.24 H new ATOM 0 HD23 LEU B 83 8.620 -3.112 -1.495 1.00 2.24 H new ATOM 2985 N ALA B 84 5.180 -0.652 -4.387 1.00 1.47 N ATOM 2986 CA ALA B 84 4.517 -0.005 -5.509 1.00 1.58 C ATOM 2987 C ALA B 84 5.477 0.897 -6.290 1.00 1.44 C ATOM 2988 O ALA B 84 5.486 0.861 -7.515 1.00 1.63 O ATOM 2989 CB ALA B 84 3.300 0.781 -5.011 1.00 1.66 C ATOM 0 H ALA B 84 4.653 -0.596 -3.515 1.00 1.47 H new ATOM 0 HA ALA B 84 4.178 -0.778 -6.198 1.00 1.58 H new ATOM 0 HB1 ALA B 84 2.808 1.263 -5.856 1.00 1.66 H new ATOM 0 HB2 ALA B 84 2.602 0.100 -4.524 1.00 1.66 H new ATOM 0 HB3 ALA B 84 3.624 1.540 -4.298 1.00 1.66 H new ATOM 2995 N LYS B 85 6.283 1.710 -5.599 1.00 1.17 N ATOM 2996 CA LYS B 85 7.342 2.483 -6.244 1.00 0.99 C ATOM 2997 C LYS B 85 8.613 1.650 -6.500 1.00 0.85 C ATOM 2998 O LYS B 85 9.272 1.850 -7.524 1.00 0.78 O ATOM 2999 CB LYS B 85 7.578 3.819 -5.509 1.00 1.27 C ATOM 3000 CG LYS B 85 8.928 3.931 -4.788 1.00 0.82 C ATOM 3001 CD LYS B 85 9.062 5.260 -4.035 1.00 1.38 C ATOM 3002 CE LYS B 85 8.424 5.214 -2.643 1.00 0.86 C ATOM 3003 NZ LYS B 85 9.242 4.414 -1.700 1.00 1.39 N ATOM 0 H LYS B 85 6.219 1.848 -4.590 1.00 1.17 H new ATOM 0 HA LYS B 85 7.005 2.754 -7.245 1.00 0.99 H new ATOM 0 HB2 LYS B 85 7.499 4.632 -6.230 1.00 1.27 H new ATOM 0 HB3 LYS B 85 6.780 3.961 -4.780 1.00 1.27 H new ATOM 0 HG2 LYS B 85 9.036 3.103 -4.087 1.00 0.82 H new ATOM 0 HG3 LYS B 85 9.736 3.841 -5.514 1.00 0.82 H new ATOM 0 HD2 LYS B 85 10.118 5.514 -3.939 1.00 1.38 H new ATOM 0 HD3 LYS B 85 8.595 6.053 -4.619 1.00 1.38 H new ATOM 0 HE2 LYS B 85 8.311 6.228 -2.259 1.00 0.86 H new ATOM 0 HE3 LYS B 85 7.424 4.786 -2.713 1.00 0.86 H new ATOM 0 HZ1 LYS B 85 8.728 4.302 -0.803 1.00 1.39 H new ATOM 0 HZ2 LYS B 85 9.429 3.477 -2.111 1.00 1.39 H new ATOM 0 HZ3 LYS B 85 10.144 4.901 -1.524 1.00 1.39 H new ATOM 3017 N GLU B 86 9.004 0.748 -5.587 1.00 0.98 N ATOM 3018 CA GLU B 86 10.282 0.049 -5.696 1.00 1.04 C ATOM 3019 C GLU B 86 10.341 -0.881 -6.916 1.00 1.03 C ATOM 3020 O GLU B 86 11.424 -1.199 -7.404 1.00 1.22 O ATOM 3021 CB GLU B 86 10.693 -0.716 -4.429 1.00 1.21 C ATOM 3022 CG GLU B 86 10.679 0.046 -3.091 1.00 1.41 C ATOM 3023 CD GLU B 86 11.202 1.481 -3.107 1.00 2.20 C ATOM 3024 OE1 GLU B 86 12.261 1.737 -3.716 1.00 2.33 O ATOM 3025 OE2 GLU B 86 10.533 2.325 -2.469 1.00 3.30 O ATOM 0 H GLU B 86 8.452 0.490 -4.769 1.00 0.98 H new ATOM 0 HA GLU B 86 11.010 0.849 -5.830 1.00 1.04 H new ATOM 0 HB2 GLU B 86 10.033 -1.578 -4.330 1.00 1.21 H new ATOM 0 HB3 GLU B 86 11.701 -1.102 -4.583 1.00 1.21 H new ATOM 0 HG2 GLU B 86 9.654 0.063 -2.721 1.00 1.41 H new ATOM 0 HG3 GLU B 86 11.268 -0.522 -2.371 1.00 1.41 H new ATOM 3032 N ILE B 87 9.191 -1.295 -7.464 1.00 0.99 N ATOM 3033 CA ILE B 87 9.173 -1.912 -8.791 1.00 0.94 C ATOM 3034 C ILE B 87 10.053 -1.082 -9.749 1.00 0.87 C ATOM 3035 O ILE B 87 10.910 -1.618 -10.456 1.00 1.12 O ATOM 3036 CB ILE B 87 7.722 -2.083 -9.289 1.00 1.07 C ATOM 3037 CG1 ILE B 87 7.612 -3.055 -10.479 1.00 1.28 C ATOM 3038 CG2 ILE B 87 7.092 -0.744 -9.686 1.00 1.19 C ATOM 3039 CD1 ILE B 87 7.341 -4.493 -10.026 1.00 0.74 C ATOM 0 H ILE B 87 8.278 -1.215 -7.017 1.00 0.99 H new ATOM 0 HA ILE B 87 9.596 -2.916 -8.748 1.00 0.94 H new ATOM 0 HB ILE B 87 7.177 -2.504 -8.444 1.00 1.07 H new ATOM 0 HG12 ILE B 87 6.811 -2.727 -11.141 1.00 1.28 H new ATOM 0 HG13 ILE B 87 8.536 -3.026 -11.057 1.00 1.28 H new ATOM 0 HG21 ILE B 87 6.071 -0.910 -10.030 1.00 1.19 H new ATOM 0 HG22 ILE B 87 7.080 -0.078 -8.824 1.00 1.19 H new ATOM 0 HG23 ILE B 87 7.676 -0.290 -10.487 1.00 1.19 H new ATOM 0 HD11 ILE B 87 7.271 -5.142 -10.899 1.00 0.74 H new ATOM 0 HD12 ILE B 87 8.155 -4.832 -9.385 1.00 0.74 H new ATOM 0 HD13 ILE B 87 6.404 -4.529 -9.471 1.00 0.74 H new ATOM 3051 N ARG B 88 9.903 0.248 -9.711 1.00 0.84 N ATOM 3052 CA ARG B 88 10.724 1.183 -10.458 1.00 1.16 C ATOM 3053 C ARG B 88 12.050 1.445 -9.740 1.00 1.37 C ATOM 3054 O ARG B 88 13.103 1.341 -10.382 1.00 1.88 O ATOM 3055 CB ARG B 88 9.935 2.472 -10.739 1.00 1.38 C ATOM 3056 CG ARG B 88 10.648 3.378 -11.753 1.00 2.32 C ATOM 3057 CD ARG B 88 11.599 4.388 -11.093 1.00 3.41 C ATOM 3058 NE ARG B 88 12.507 4.991 -12.081 1.00 3.85 N ATOM 3059 CZ ARG B 88 13.700 4.496 -12.456 1.00 4.95 C ATOM 3060 NH1 ARG B 88 14.153 3.334 -11.965 1.00 6.01 N ATOM 3061 NH2 ARG B 88 14.446 5.178 -13.334 1.00 5.46 N ATOM 0 H ARG B 88 9.188 0.705 -9.144 1.00 0.84 H new ATOM 0 HA ARG B 88 10.980 0.743 -11.422 1.00 1.16 H new ATOM 0 HB2 ARG B 88 8.945 2.215 -11.117 1.00 1.38 H new ATOM 0 HB3 ARG B 88 9.789 3.017 -9.807 1.00 1.38 H new ATOM 0 HG2 ARG B 88 11.212 2.759 -12.451 1.00 2.32 H new ATOM 0 HG3 ARG B 88 9.902 3.918 -12.337 1.00 2.32 H new ATOM 0 HD2 ARG B 88 11.019 5.171 -10.603 1.00 3.41 H new ATOM 0 HD3 ARG B 88 12.181 3.890 -10.317 1.00 3.41 H new ATOM 0 HE ARG B 88 12.205 5.861 -12.520 1.00 3.85 H new ATOM 0 HH11 ARG B 88 13.590 2.809 -11.295 1.00 6.01 H new ATOM 0 HH12 ARG B 88 15.060 2.974 -12.261 1.00 6.01 H new ATOM 0 HH21 ARG B 88 14.108 6.063 -13.711 1.00 5.46 H new ATOM 0 HH22 ARG B 88 15.352 4.812 -13.626 1.00 5.46 H new ATOM 3075 N LYS B 89 12.000 1.853 -8.466 1.00 1.17 N ATOM 3076 CA LYS B 89 13.145 2.318 -7.676 1.00 1.55 C ATOM 3077 C LYS B 89 13.867 1.161 -6.970 1.00 1.91 C ATOM 3078 O LYS B 89 13.269 0.386 -6.243 1.00 2.17 O ATOM 3079 CB LYS B 89 12.670 3.380 -6.673 1.00 1.51 C ATOM 3080 CG LYS B 89 12.498 4.745 -7.356 1.00 1.87 C ATOM 3081 CD LYS B 89 12.369 5.855 -6.307 1.00 2.42 C ATOM 3082 CE LYS B 89 12.602 7.242 -6.929 1.00 3.65 C ATOM 3083 NZ LYS B 89 12.839 8.278 -5.903 1.00 4.73 N ATOM 0 H LYS B 89 11.128 1.869 -7.938 1.00 1.17 H new ATOM 0 HA LYS B 89 13.875 2.764 -8.352 1.00 1.55 H new ATOM 0 HB2 LYS B 89 11.724 3.069 -6.230 1.00 1.51 H new ATOM 0 HB3 LYS B 89 13.390 3.465 -5.859 1.00 1.51 H new ATOM 0 HG2 LYS B 89 13.352 4.945 -8.003 1.00 1.87 H new ATOM 0 HG3 LYS B 89 11.613 4.732 -7.991 1.00 1.87 H new ATOM 0 HD2 LYS B 89 11.377 5.818 -5.856 1.00 2.42 H new ATOM 0 HD3 LYS B 89 13.090 5.687 -5.507 1.00 2.42 H new ATOM 0 HE2 LYS B 89 13.457 7.198 -7.603 1.00 3.65 H new ATOM 0 HE3 LYS B 89 11.736 7.519 -7.530 1.00 3.65 H new ATOM 0 HZ1 LYS B 89 13.253 9.121 -6.350 1.00 4.73 H new ATOM 0 HZ2 LYS B 89 11.937 8.533 -5.452 1.00 4.73 H new ATOM 0 HZ3 LYS B 89 13.494 7.911 -5.184 1.00 4.73 H new ATOM 3097 N LYS B 90 15.163 0.987 -7.223 1.00 2.35 N ATOM 3098 CA LYS B 90 15.911 -0.132 -6.661 1.00 2.84 C ATOM 3099 C LYS B 90 16.393 0.195 -5.245 1.00 3.02 C ATOM 3100 O LYS B 90 16.445 -0.687 -4.385 1.00 3.29 O ATOM 3101 CB LYS B 90 17.020 -0.552 -7.637 1.00 3.39 C ATOM 3102 CG LYS B 90 16.484 -1.466 -8.760 1.00 3.96 C ATOM 3103 CD LYS B 90 15.174 -0.961 -9.389 1.00 4.88 C ATOM 3104 CE LYS B 90 14.739 -1.763 -10.620 1.00 6.32 C ATOM 3105 NZ LYS B 90 13.431 -1.291 -11.122 1.00 7.84 N ATOM 0 H LYS B 90 15.716 1.608 -7.814 1.00 2.35 H new ATOM 0 HA LYS B 90 15.266 -1.003 -6.543 1.00 2.84 H new ATOM 0 HB2 LYS B 90 17.472 0.337 -8.077 1.00 3.39 H new ATOM 0 HB3 LYS B 90 17.807 -1.072 -7.090 1.00 3.39 H new ATOM 0 HG2 LYS B 90 17.242 -1.554 -9.539 1.00 3.96 H new ATOM 0 HG3 LYS B 90 16.323 -2.466 -8.358 1.00 3.96 H new ATOM 0 HD2 LYS B 90 14.382 -1.000 -8.641 1.00 4.88 H new ATOM 0 HD3 LYS B 90 15.295 0.085 -9.671 1.00 4.88 H new ATOM 0 HE2 LYS B 90 15.490 -1.668 -11.405 1.00 6.32 H new ATOM 0 HE3 LYS B 90 14.675 -2.821 -10.366 1.00 6.32 H new ATOM 0 HZ1 LYS B 90 13.289 -1.631 -12.094 1.00 7.84 H new ATOM 0 HZ2 LYS B 90 12.672 -1.658 -10.513 1.00 7.84 H new ATOM 0 HZ3 LYS B 90 13.410 -0.251 -11.113 1.00 7.84 H new ATOM 3119 N LYS B 91 16.779 1.450 -5.017 1.00 3.02 N ATOM 3120 CA LYS B 91 17.339 1.932 -3.756 1.00 3.30 C ATOM 3121 C LYS B 91 16.985 3.406 -3.503 1.00 3.15 C ATOM 3122 O LYS B 91 17.440 4.011 -2.530 1.00 3.42 O ATOM 3123 CB LYS B 91 18.867 1.753 -3.815 1.00 3.72 C ATOM 3124 CG LYS B 91 19.457 2.449 -5.053 1.00 3.61 C ATOM 3125 CD LYS B 91 20.988 2.393 -5.081 1.00 4.38 C ATOM 3126 CE LYS B 91 21.536 2.841 -6.446 1.00 5.42 C ATOM 3127 NZ LYS B 91 21.011 4.156 -6.878 1.00 6.07 N ATOM 0 H LYS B 91 16.708 2.180 -5.726 1.00 3.02 H new ATOM 0 HA LYS B 91 16.915 1.358 -2.932 1.00 3.30 H new ATOM 0 HB2 LYS B 91 19.320 2.164 -2.912 1.00 3.72 H new ATOM 0 HB3 LYS B 91 19.111 0.691 -3.840 1.00 3.72 H new ATOM 0 HG2 LYS B 91 19.062 1.978 -5.954 1.00 3.61 H new ATOM 0 HG3 LYS B 91 19.134 3.490 -5.070 1.00 3.61 H new ATOM 0 HD2 LYS B 91 21.392 3.032 -4.296 1.00 4.38 H new ATOM 0 HD3 LYS B 91 21.321 1.377 -4.868 1.00 4.38 H new ATOM 0 HE2 LYS B 91 22.624 2.889 -6.396 1.00 5.42 H new ATOM 0 HE3 LYS B 91 21.284 2.091 -7.196 1.00 5.42 H new ATOM 0 HZ1 LYS B 91 21.526 4.475 -7.723 1.00 6.07 H new ATOM 0 HZ2 LYS B 91 19.999 4.069 -7.102 1.00 6.07 H new ATOM 0 HZ3 LYS B 91 21.138 4.849 -6.113 1.00 6.07 H new ATOM 3141 N ASP B 92 16.273 4.030 -4.441 1.00 2.86 N ATOM 3142 CA ASP B 92 16.580 5.393 -4.839 1.00 2.88 C ATOM 3143 C ASP B 92 15.665 6.377 -4.114 1.00 2.58 C ATOM 3144 O ASP B 92 14.986 7.182 -4.755 1.00 2.80 O ATOM 3145 CB ASP B 92 16.482 5.465 -6.374 1.00 3.19 C ATOM 3146 CG ASP B 92 17.234 4.311 -7.028 1.00 4.62 C ATOM 3147 OD1 ASP B 92 16.617 3.222 -7.120 1.00 5.57 O ATOM 3148 OD2 ASP B 92 18.439 4.485 -7.315 1.00 5.55 O ATOM 0 H ASP B 92 15.484 3.611 -4.934 1.00 2.86 H new ATOM 0 HA ASP B 92 17.592 5.679 -4.552 1.00 2.88 H new ATOM 0 HB2 ASP B 92 15.435 5.438 -6.676 1.00 3.19 H new ATOM 0 HB3 ASP B 92 16.890 6.413 -6.723 1.00 3.19 H new ATOM 3153 N LEU B 93 15.621 6.293 -2.779 1.00 2.76 N ATOM 3154 CA LEU B 93 14.725 7.100 -1.954 1.00 2.79 C ATOM 3155 C LEU B 93 15.453 7.898 -0.871 1.00 2.84 C ATOM 3156 O LEU B 93 15.546 9.117 -0.976 1.00 3.06 O ATOM 3157 CB LEU B 93 13.527 6.278 -1.431 1.00 3.35 C ATOM 3158 CG LEU B 93 13.743 5.217 -0.328 1.00 4.30 C ATOM 3159 CD1 LEU B 93 12.385 4.588 -0.010 1.00 5.57 C ATOM 3160 CD2 LEU B 93 14.694 4.090 -0.743 1.00 4.75 C ATOM 0 H LEU B 93 16.211 5.658 -2.241 1.00 2.76 H new ATOM 0 HA LEU B 93 14.301 7.863 -2.607 1.00 2.79 H new ATOM 0 HB2 LEU B 93 12.785 6.985 -1.060 1.00 3.35 H new ATOM 0 HB3 LEU B 93 13.083 5.770 -2.287 1.00 3.35 H new ATOM 0 HG LEU B 93 14.191 5.724 0.527 1.00 4.30 H new ATOM 0 HD11 LEU B 93 12.507 3.833 0.767 1.00 5.57 H new ATOM 0 HD12 LEU B 93 11.699 5.360 0.338 1.00 5.57 H new ATOM 0 HD13 LEU B 93 11.981 4.122 -0.908 1.00 5.57 H new ATOM 0 HD21 LEU B 93 14.799 3.382 0.079 1.00 4.75 H new ATOM 0 HD22 LEU B 93 14.290 3.576 -1.615 1.00 4.75 H new ATOM 0 HD23 LEU B 93 15.670 4.509 -0.988 1.00 4.75 H new ATOM 3172 N LYS B 94 15.908 7.211 0.179 1.00 3.14 N ATOM 3173 CA LYS B 94 16.279 7.746 1.487 1.00 3.61 C ATOM 3174 C LYS B 94 15.598 9.090 1.818 1.00 3.23 C ATOM 3175 O LYS B 94 16.241 10.065 2.201 1.00 3.80 O ATOM 3176 CB LYS B 94 17.808 7.743 1.603 1.00 4.19 C ATOM 3177 CG LYS B 94 18.351 6.454 2.234 1.00 5.14 C ATOM 3178 CD LYS B 94 18.070 5.173 1.437 1.00 6.02 C ATOM 3179 CE LYS B 94 18.888 4.028 2.054 1.00 7.63 C ATOM 3180 NZ LYS B 94 18.438 2.692 1.618 1.00 8.83 N ATOM 0 H LYS B 94 16.035 6.200 0.133 1.00 3.14 H new ATOM 0 HA LYS B 94 15.889 7.095 2.270 1.00 3.61 H new ATOM 0 HB2 LYS B 94 18.244 7.869 0.612 1.00 4.19 H new ATOM 0 HB3 LYS B 94 18.125 8.597 2.202 1.00 4.19 H new ATOM 0 HG2 LYS B 94 19.429 6.556 2.361 1.00 5.14 H new ATOM 0 HG3 LYS B 94 17.921 6.346 3.230 1.00 5.14 H new ATOM 0 HD2 LYS B 94 17.006 4.936 1.463 1.00 6.02 H new ATOM 0 HD3 LYS B 94 18.340 5.311 0.390 1.00 6.02 H new ATOM 0 HE2 LYS B 94 19.937 4.156 1.788 1.00 7.63 H new ATOM 0 HE3 LYS B 94 18.825 4.089 3.140 1.00 7.63 H new ATOM 0 HZ1 LYS B 94 18.971 1.961 2.132 1.00 8.83 H new ATOM 0 HZ2 LYS B 94 17.423 2.585 1.818 1.00 8.83 H new ATOM 0 HZ3 LYS B 94 18.602 2.587 0.597 1.00 8.83 H new ATOM 3194 N ILE B 95 14.267 9.123 1.702 1.00 3.88 N ATOM 3195 CA ILE B 95 13.476 10.310 1.990 1.00 4.59 C ATOM 3196 C ILE B 95 13.367 10.487 3.508 1.00 4.96 C ATOM 3197 O ILE B 95 12.722 9.689 4.183 1.00 6.26 O ATOM 3198 CB ILE B 95 12.119 10.249 1.254 1.00 6.18 C ATOM 3199 CG1 ILE B 95 11.366 11.578 1.441 1.00 7.45 C ATOM 3200 CG2 ILE B 95 11.237 9.054 1.656 1.00 7.54 C ATOM 3201 CD1 ILE B 95 10.120 11.682 0.557 1.00 8.73 C ATOM 0 H ILE B 95 13.711 8.321 1.404 1.00 3.88 H new ATOM 0 HA ILE B 95 13.967 11.205 1.607 1.00 4.59 H new ATOM 0 HB ILE B 95 12.345 10.094 0.199 1.00 6.18 H new ATOM 0 HG12 ILE B 95 11.074 11.681 2.486 1.00 7.45 H new ATOM 0 HG13 ILE B 95 12.037 12.406 1.214 1.00 7.45 H new ATOM 0 HG21 ILE B 95 10.304 9.085 1.094 1.00 7.54 H new ATOM 0 HG22 ILE B 95 11.762 8.124 1.436 1.00 7.54 H new ATOM 0 HG23 ILE B 95 11.020 9.105 2.723 1.00 7.54 H new ATOM 0 HD11 ILE B 95 9.629 12.640 0.731 1.00 8.73 H new ATOM 0 HD12 ILE B 95 10.410 11.608 -0.491 1.00 8.73 H new ATOM 0 HD13 ILE B 95 9.432 10.872 0.801 1.00 8.73 H new ATOM 3213 N ARG B 96 14.026 11.512 4.057 1.00 4.13 N ATOM 3214 CA ARG B 96 14.055 11.769 5.490 1.00 4.50 C ATOM 3215 C ARG B 96 14.339 13.253 5.736 1.00 3.73 C ATOM 3216 O ARG B 96 15.490 13.687 5.696 1.00 3.79 O ATOM 3217 CB ARG B 96 15.089 10.841 6.151 1.00 5.40 C ATOM 3218 CG ARG B 96 15.333 11.174 7.633 1.00 6.54 C ATOM 3219 CD ARG B 96 16.752 11.718 7.856 1.00 6.38 C ATOM 3220 NE ARG B 96 16.837 12.530 9.082 1.00 7.04 N ATOM 3221 CZ ARG B 96 16.762 13.873 9.140 1.00 7.01 C ATOM 3222 NH1 ARG B 96 16.503 14.594 8.042 1.00 6.54 N ATOM 3223 NH2 ARG B 96 16.948 14.493 10.310 1.00 7.92 N ATOM 0 H ARG B 96 14.557 12.189 3.510 1.00 4.13 H new ATOM 0 HA ARG B 96 13.089 11.550 5.944 1.00 4.50 H new ATOM 0 HB2 ARG B 96 14.749 9.809 6.067 1.00 5.40 H new ATOM 0 HB3 ARG B 96 16.032 10.911 5.608 1.00 5.40 H new ATOM 0 HG2 ARG B 96 14.602 11.910 7.968 1.00 6.54 H new ATOM 0 HG3 ARG B 96 15.185 10.280 8.238 1.00 6.54 H new ATOM 0 HD2 ARG B 96 17.454 10.887 7.920 1.00 6.38 H new ATOM 0 HD3 ARG B 96 17.050 12.321 6.998 1.00 6.38 H new ATOM 0 HE ARG B 96 16.964 12.032 9.963 1.00 7.04 H new ATOM 0 HH11 ARG B 96 16.360 14.126 7.147 1.00 6.54 H new ATOM 0 HH12 ARG B 96 16.449 15.611 8.101 1.00 6.54 H new ATOM 0 HH21 ARG B 96 17.145 13.949 11.150 1.00 7.92 H new ATOM 0 HH22 ARG B 96 16.893 15.510 10.363 1.00 7.92 H new ATOM 3237 N LYS B 97 13.301 14.021 6.073 1.00 3.91 N ATOM 3238 CA LYS B 97 13.345 15.467 6.238 1.00 3.58 C ATOM 3239 C LYS B 97 11.961 15.900 6.721 1.00 4.38 C ATOM 3240 O LYS B 97 10.949 15.440 6.198 1.00 5.46 O ATOM 3241 CB LYS B 97 13.721 16.144 4.900 1.00 3.94 C ATOM 3242 CG LYS B 97 13.342 17.630 4.765 1.00 4.81 C ATOM 3243 CD LYS B 97 14.043 18.552 5.778 1.00 5.47 C ATOM 3244 CE LYS B 97 13.338 19.919 5.841 1.00 6.44 C ATOM 3245 NZ LYS B 97 13.656 20.657 7.082 1.00 6.79 N ATOM 0 H LYS B 97 12.373 13.633 6.244 1.00 3.91 H new ATOM 0 HA LYS B 97 14.103 15.764 6.963 1.00 3.58 H new ATOM 0 HB2 LYS B 97 14.798 16.050 4.758 1.00 3.94 H new ATOM 0 HB3 LYS B 97 13.243 15.593 4.090 1.00 3.94 H new ATOM 0 HG2 LYS B 97 13.584 17.965 3.757 1.00 4.81 H new ATOM 0 HG3 LYS B 97 12.263 17.731 4.884 1.00 4.81 H new ATOM 0 HD2 LYS B 97 14.039 18.088 6.764 1.00 5.47 H new ATOM 0 HD3 LYS B 97 15.087 18.687 5.494 1.00 5.47 H new ATOM 0 HE2 LYS B 97 13.633 20.518 4.979 1.00 6.44 H new ATOM 0 HE3 LYS B 97 12.260 19.773 5.774 1.00 6.44 H new ATOM 0 HZ1 LYS B 97 13.001 21.458 7.187 1.00 6.79 H new ATOM 0 HZ2 LYS B 97 13.559 20.021 7.899 1.00 6.79 H new ATOM 0 HZ3 LYS B 97 14.632 21.012 7.034 1.00 6.79 H new ATOM 3259 N LYS B 98 11.944 16.773 7.727 1.00 4.34 N ATOM 3260 CA LYS B 98 10.814 17.525 8.224 1.00 5.10 C ATOM 3261 C LYS B 98 11.431 18.876 8.599 1.00 4.64 C ATOM 3262 O LYS B 98 12.672 18.901 8.775 1.00 4.27 O ATOM 3263 CB LYS B 98 10.184 16.771 9.410 1.00 6.12 C ATOM 3264 CG LYS B 98 9.052 17.553 10.091 1.00 7.01 C ATOM 3265 CD LYS B 98 9.588 18.429 11.240 1.00 6.76 C ATOM 3266 CE LYS B 98 8.781 19.716 11.455 1.00 6.84 C ATOM 3267 NZ LYS B 98 8.805 20.586 10.259 1.00 6.83 N ATOM 3268 OXT LYS B 98 10.697 19.887 8.649 1.00 5.47 O ATOM 0 H LYS B 98 12.793 16.983 8.252 1.00 4.34 H new ATOM 0 HA LYS B 98 9.996 17.660 7.516 1.00 5.10 H new ATOM 0 HB2 LYS B 98 9.796 15.814 9.059 1.00 6.12 H new ATOM 0 HB3 LYS B 98 10.958 16.551 10.145 1.00 6.12 H new ATOM 0 HG2 LYS B 98 8.548 18.181 9.356 1.00 7.01 H new ATOM 0 HG3 LYS B 98 8.308 16.857 10.478 1.00 7.01 H new ATOM 0 HD2 LYS B 98 9.583 17.848 12.162 1.00 6.76 H new ATOM 0 HD3 LYS B 98 10.626 18.690 11.034 1.00 6.76 H new ATOM 0 HE2 LYS B 98 7.749 19.462 11.699 1.00 6.84 H new ATOM 0 HE3 LYS B 98 9.185 20.260 12.308 1.00 6.84 H new ATOM 0 HZ1 LYS B 98 9.194 21.516 10.514 1.00 6.83 H new ATOM 0 HZ2 LYS B 98 9.400 20.151 9.525 1.00 6.83 H new ATOM 0 HZ3 LYS B 98 7.838 20.703 9.896 1.00 6.83 H new TER 3282 LYS B 98 HETATM 3283 CA CA A 197 -1.829 12.035 -14.997 1.00 0.85 CA HETATM 3284 CA CA A 198 2.069 16.896 -5.464 1.00 1.19 CA HETATM 3285 CA CA B 199 3.411 -10.473 15.136 1.00 1.20 CA HETATM 3286 CA CA B 200 5.687 0.533 16.131 1.00 1.23 CA