USER MOD reduce.3.24.130724 H: found=0, std=0, add=1667, 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: B 44 GLN : amide:sc= 1.78 K(o=2.4,f=-3.4) USER MOD Set 1.2: B 45 GLN : amide:sc= 0.648 K(o=2.4,f=-2.2!) USER MOD Set 2.1: B 34 SER OG : rot 71:sc= 1.14 USER MOD Set 2.2: B 69 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 85 LYS NZ :NH3+ -169:sc= 1.59 (180deg=0.53) USER MOD Set 3.2: B 74 ASN : amide:sc= -0.585 K(o=1,f=-3.5) USER MOD Set 4.1: A 60 MET CE :methyl 173:sc= -0.29 (180deg=-0.293) USER MOD Set 4.2: A 69 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 44 GLN : amide:sc= 1.95 K(o=2.8,f=-2.3) USER MOD Set 5.2: A 45 GLN : amide:sc= 0.867 K(o=2.8,f=-0.42!) USER MOD Set 6.1: A 39 LYS NZ :NH3+ 168:sc= 2.08 (180deg=0.61) USER MOD Set 6.2: A 43 THR OG1 : rot 78:sc= 1.88 USER MOD Single : A 1 MET CE :methyl 173:sc= -0.0019 (180deg=-0.084) USER MOD Single : A 1 MET N :NH3+ -116:sc= 0.248 (180deg=-0.0844) USER MOD Single : A 7 THR OG1 : rot 174:sc= 1.1 USER MOD Single : A 12 SER OG : rot -79:sc= 1.04 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 76:sc= 1.23 USER MOD Single : A 22 THR OG1 : rot -76:sc= 1.23 USER MOD Single : A 26 GLN : amide:sc= 1.37 K(o=1.4,f=-8.3!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 154:sc= 0.784 USER MOD Single : A 34 SER OG : rot 52:sc= 1.23 USER MOD Single : A 36 ASN : amide:sc= 1.1 K(o=1.1,f=-0.13) USER MOD Single : A 48 HIS : no HE2:sc= 0.634 K(o=0.63,f=-3.4!) USER MOD Single : A 51 LYS NZ :NH3+ -152:sc= 1.27 (180deg=1.12) USER MOD Single : A 55 SER OG : rot -126:sc= 1.24 USER MOD Single : A 59 LYS NZ :NH3+ -171:sc= 2.29 (180deg=2.01) USER MOD Single : A 61 LYS NZ :NH3+ 137:sc= 1.16 (180deg=0.966) USER MOD Single : A 62 SER OG : rot -157:sc= 1.25 USER MOD Single : A 67 GLN : amide:sc= 0.323 K(o=0.32,f=-0.21) USER MOD Single : A 72 LYS NZ :NH3+ 160:sc= 2.22 (180deg=1.53) USER MOD Single : A 74 ASN : amide:sc= -0.0275 K(o=-0.028,f=-0.98) USER MOD Single : A 76 TYR OH : rot 161:sc= 0.984 USER MOD Single : A 89 LYS NZ :NH3+ 162:sc= 1.2 (180deg=-0.345!) USER MOD Single : A 90 LYS NZ :NH3+ 160:sc= 0.905 (180deg=0.528!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.045) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -151:sc= -0.566! (180deg=-4.3!) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -117:sc= 1.37 (180deg=0.555) USER MOD Single : B 7 THR OG1 : rot 180:sc= 0 USER MOD Single : B 12 SER OG : rot 70:sc= 1.03 USER MOD Single : B 15 THR OG1 : rot -69:sc= 1.29 USER MOD Single : B 18 THR OG1 : rot 180:sc= 0 USER MOD Single : B 19 THR OG1 : rot 84:sc= 1.23 USER MOD Single : B 22 THR OG1 : rot -80:sc= 0.278 USER MOD Single : B 26 GLN : amide:sc= 1.5 K(o=1.5,f=-12!) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 36 ASN : amide:sc= 1.04 K(o=1,f=-0.8) USER MOD Single : B 39 LYS NZ :NH3+ 158:sc= 2.29 (180deg=1.77) USER MOD Single : B 43 THR OG1 : rot -40:sc= 0.947 USER MOD Single : B 48 HIS : no HD1:sc= -0.187 X(o=-0.19,f=0) USER MOD Single : B 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 55 SER OG : rot -46:sc= 1.25 USER MOD Single : B 59 LYS NZ :NH3+ 149:sc= 2.21 (180deg=0.0515) USER MOD Single : B 60 MET CE :methyl 159:sc= 0 (180deg=-0.318) USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 62 SER OG : rot 180:sc= 0 USER MOD Single : B 67 GLN : amide:sc= 0.922 K(o=0.92,f=-0.093) USER MOD Single : B 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 76 TYR OH : rot 180:sc= 0 USER MOD Single : B 85 LYS NZ :NH3+ -177:sc= 2.3 (180deg=2.2) USER MOD Single : B 89 LYS NZ :NH3+ -169:sc= 2.37 (180deg=2.02) USER MOD Single : B 90 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0694) USER MOD Single : B 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 94 LYS NZ :NH3+ 157:sc= 1.12 (180deg=-0.433) USER MOD Single : B 97 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0195) USER MOD Single : B 98 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0167) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.513 -22.026 -21.360 1.00 4.43 N ATOM 2 CA MET A 1 9.912 -20.770 -22.020 1.00 4.00 C ATOM 3 C MET A 1 10.226 -19.755 -20.923 1.00 3.47 C ATOM 4 O MET A 1 10.051 -20.089 -19.753 1.00 3.44 O ATOM 5 CB MET A 1 8.800 -20.255 -22.950 1.00 4.01 C ATOM 6 CG MET A 1 8.617 -21.111 -24.211 1.00 4.87 C ATOM 7 SD MET A 1 7.181 -20.690 -25.236 1.00 5.43 S ATOM 8 CE MET A 1 7.531 -18.967 -25.658 1.00 7.58 C ATOM 0 H1 MET A 1 10.203 -22.771 -21.584 1.00 4.43 H new ATOM 0 H2 MET A 1 9.481 -21.882 -20.330 1.00 4.43 H new ATOM 0 H3 MET A 1 8.572 -22.313 -21.699 1.00 4.43 H new ATOM 0 HA MET A 1 10.790 -20.934 -22.645 1.00 4.00 H new ATOM 0 HB2 MET A 1 7.860 -20.226 -22.399 1.00 4.01 H new ATOM 0 HB3 MET A 1 9.028 -19.231 -23.245 1.00 4.01 H new ATOM 0 HG2 MET A 1 9.516 -21.025 -24.822 1.00 4.87 H new ATOM 0 HG3 MET A 1 8.534 -22.156 -23.911 1.00 4.87 H new ATOM 0 HE1 MET A 1 6.799 -18.614 -26.385 1.00 7.58 H new ATOM 0 HE2 MET A 1 7.474 -18.353 -24.759 1.00 7.58 H new ATOM 0 HE3 MET A 1 8.531 -18.893 -26.085 1.00 7.58 H new ATOM 20 N ALA A 2 10.670 -18.553 -21.294 1.00 3.77 N ATOM 21 CA ALA A 2 10.700 -17.411 -20.387 1.00 3.60 C ATOM 22 C ALA A 2 9.275 -16.994 -20.029 1.00 3.09 C ATOM 23 O ALA A 2 8.312 -17.540 -20.569 1.00 3.19 O ATOM 24 CB ALA A 2 11.484 -16.271 -21.046 1.00 4.49 C ATOM 0 H ALA A 2 11.018 -18.347 -22.230 1.00 3.77 H new ATOM 0 HA ALA A 2 11.203 -17.677 -19.457 1.00 3.60 H new ATOM 0 HB1 ALA A 2 11.511 -15.413 -20.375 1.00 4.49 H new ATOM 0 HB2 ALA A 2 12.502 -16.602 -21.254 1.00 4.49 H new ATOM 0 HB3 ALA A 2 10.997 -15.986 -21.979 1.00 4.49 H new ATOM 30 N ALA A 3 9.186 -16.025 -19.119 1.00 2.99 N ATOM 31 CA ALA A 3 8.020 -15.545 -18.392 1.00 2.82 C ATOM 32 C ALA A 3 8.038 -16.130 -16.981 1.00 2.22 C ATOM 33 O ALA A 3 7.133 -16.848 -16.559 1.00 2.49 O ATOM 34 CB ALA A 3 6.687 -15.755 -19.124 1.00 3.41 C ATOM 0 H ALA A 3 10.020 -15.504 -18.847 1.00 2.99 H new ATOM 0 HA ALA A 3 8.091 -14.459 -18.325 1.00 2.82 H new ATOM 0 HB1 ALA A 3 5.871 -15.369 -18.512 1.00 3.41 H new ATOM 0 HB2 ALA A 3 6.708 -15.226 -20.077 1.00 3.41 H new ATOM 0 HB3 ALA A 3 6.534 -16.819 -19.303 1.00 3.41 H new ATOM 40 N GLU A 4 9.120 -15.825 -16.267 1.00 2.11 N ATOM 41 CA GLU A 4 9.448 -16.355 -14.962 1.00 2.08 C ATOM 42 C GLU A 4 8.378 -15.964 -13.930 1.00 1.81 C ATOM 43 O GLU A 4 7.944 -14.813 -13.913 1.00 1.72 O ATOM 44 CB GLU A 4 10.847 -15.856 -14.565 1.00 2.83 C ATOM 45 CG GLU A 4 11.950 -16.289 -15.556 1.00 3.68 C ATOM 46 CD GLU A 4 12.171 -15.319 -16.717 1.00 3.93 C ATOM 47 OE1 GLU A 4 11.322 -15.325 -17.640 1.00 4.05 O ATOM 48 OE2 GLU A 4 13.179 -14.587 -16.666 1.00 4.91 O ATOM 0 H GLU A 4 9.821 -15.168 -16.608 1.00 2.11 H new ATOM 0 HA GLU A 4 9.463 -17.444 -14.993 1.00 2.08 H new ATOM 0 HB2 GLU A 4 10.833 -14.768 -14.499 1.00 2.83 H new ATOM 0 HB3 GLU A 4 11.092 -16.232 -13.572 1.00 2.83 H new ATOM 0 HG2 GLU A 4 12.887 -16.404 -15.011 1.00 3.68 H new ATOM 0 HG3 GLU A 4 11.694 -17.268 -15.960 1.00 3.68 H new ATOM 55 N PRO A 5 7.937 -16.900 -13.072 1.00 1.94 N ATOM 56 CA PRO A 5 6.890 -16.646 -12.097 1.00 1.84 C ATOM 57 C PRO A 5 7.409 -15.738 -10.979 1.00 1.55 C ATOM 58 O PRO A 5 8.232 -16.153 -10.165 1.00 1.79 O ATOM 59 CB PRO A 5 6.475 -18.026 -11.579 1.00 2.32 C ATOM 60 CG PRO A 5 7.745 -18.863 -11.739 1.00 2.59 C ATOM 61 CD PRO A 5 8.379 -18.284 -13.004 1.00 2.39 C ATOM 0 HA PRO A 5 6.036 -16.123 -12.528 1.00 1.84 H new ATOM 0 HB2 PRO A 5 6.150 -17.984 -10.539 1.00 2.32 H new ATOM 0 HB3 PRO A 5 5.647 -18.439 -12.155 1.00 2.32 H new ATOM 0 HG2 PRO A 5 8.404 -18.766 -10.876 1.00 2.59 H new ATOM 0 HG3 PRO A 5 7.519 -19.923 -11.850 1.00 2.59 H new ATOM 0 HD2 PRO A 5 9.466 -18.345 -12.959 1.00 2.39 H new ATOM 0 HD3 PRO A 5 8.064 -18.839 -13.888 1.00 2.39 H new ATOM 69 N LEU A 6 6.914 -14.501 -10.939 1.00 1.26 N ATOM 70 CA LEU A 6 7.184 -13.547 -9.873 1.00 1.12 C ATOM 71 C LEU A 6 6.467 -13.993 -8.587 1.00 1.04 C ATOM 72 O LEU A 6 5.528 -14.787 -8.646 1.00 1.08 O ATOM 73 CB LEU A 6 6.706 -12.165 -10.340 1.00 1.05 C ATOM 74 CG LEU A 6 7.418 -11.669 -11.616 1.00 1.11 C ATOM 75 CD1 LEU A 6 6.654 -10.463 -12.172 1.00 1.27 C ATOM 76 CD2 LEU A 6 8.865 -11.256 -11.320 1.00 1.45 C ATOM 0 H LEU A 6 6.301 -14.130 -11.665 1.00 1.26 H new ATOM 0 HA LEU A 6 8.250 -13.497 -9.651 1.00 1.12 H new ATOM 0 HB2 LEU A 6 5.632 -12.203 -10.524 1.00 1.05 H new ATOM 0 HB3 LEU A 6 6.867 -11.443 -9.539 1.00 1.05 H new ATOM 0 HG LEU A 6 7.436 -12.482 -12.342 1.00 1.11 H new ATOM 0 HD11 LEU A 6 7.148 -10.104 -13.075 1.00 1.27 H new ATOM 0 HD12 LEU A 6 5.632 -10.758 -12.411 1.00 1.27 H new ATOM 0 HD13 LEU A 6 6.637 -9.668 -11.427 1.00 1.27 H new ATOM 0 HD21 LEU A 6 9.340 -10.911 -12.238 1.00 1.45 H new ATOM 0 HD22 LEU A 6 8.871 -10.452 -10.585 1.00 1.45 H new ATOM 0 HD23 LEU A 6 9.414 -12.111 -10.926 1.00 1.45 H new ATOM 88 N THR A 7 6.902 -13.509 -7.418 1.00 1.00 N ATOM 89 CA THR A 7 6.268 -13.879 -6.151 1.00 1.00 C ATOM 90 C THR A 7 4.908 -13.186 -6.040 1.00 0.93 C ATOM 91 O THR A 7 4.661 -12.230 -6.769 1.00 1.08 O ATOM 92 CB THR A 7 7.188 -13.559 -4.961 1.00 1.08 C ATOM 93 OG1 THR A 7 6.807 -14.339 -3.849 1.00 1.72 O ATOM 94 CG2 THR A 7 7.148 -12.093 -4.525 1.00 0.94 C ATOM 0 H THR A 7 7.686 -12.864 -7.325 1.00 1.00 H new ATOM 0 HA THR A 7 6.100 -14.956 -6.129 1.00 1.00 H new ATOM 0 HB THR A 7 8.200 -13.782 -5.300 1.00 1.08 H new ATOM 0 HG1 THR A 7 7.450 -14.207 -3.121 1.00 1.72 H new ATOM 0 HG21 THR A 7 7.822 -11.946 -3.681 1.00 0.94 H new ATOM 0 HG22 THR A 7 7.460 -11.458 -5.354 1.00 0.94 H new ATOM 0 HG23 THR A 7 6.133 -11.829 -4.228 1.00 0.94 H new ATOM 102 N GLU A 8 4.038 -13.605 -5.106 1.00 0.97 N ATOM 103 CA GLU A 8 2.709 -13.009 -4.987 1.00 0.99 C ATOM 104 C GLU A 8 2.839 -11.504 -4.766 1.00 0.86 C ATOM 105 O GLU A 8 2.165 -10.711 -5.416 1.00 0.91 O ATOM 106 CB GLU A 8 1.878 -13.648 -3.865 1.00 1.22 C ATOM 107 CG GLU A 8 0.434 -13.111 -3.922 1.00 1.80 C ATOM 108 CD GLU A 8 -0.413 -13.520 -2.724 1.00 2.40 C ATOM 109 OE1 GLU A 8 -0.212 -14.662 -2.257 1.00 2.01 O ATOM 110 OE2 GLU A 8 -1.244 -12.679 -2.312 1.00 4.07 O ATOM 0 H GLU A 8 4.233 -14.346 -4.432 1.00 0.97 H new ATOM 0 HA GLU A 8 2.177 -13.199 -5.919 1.00 0.99 H new ATOM 0 HB2 GLU A 8 1.878 -14.733 -3.971 1.00 1.22 H new ATOM 0 HB3 GLU A 8 2.323 -13.423 -2.896 1.00 1.22 H new ATOM 0 HG2 GLU A 8 0.461 -12.023 -3.983 1.00 1.80 H new ATOM 0 HG3 GLU A 8 -0.043 -13.470 -4.834 1.00 1.80 H new ATOM 117 N LEU A 9 3.716 -11.100 -3.845 1.00 0.76 N ATOM 118 CA LEU A 9 3.936 -9.692 -3.581 1.00 0.73 C ATOM 119 C LEU A 9 4.368 -8.949 -4.853 1.00 0.70 C ATOM 120 O LEU A 9 3.645 -8.049 -5.261 1.00 0.65 O ATOM 121 CB LEU A 9 4.851 -9.487 -2.366 1.00 0.74 C ATOM 122 CG LEU A 9 4.105 -9.843 -1.060 1.00 0.81 C ATOM 123 CD1 LEU A 9 4.451 -11.231 -0.516 1.00 1.39 C ATOM 124 CD2 LEU A 9 4.401 -8.799 0.023 1.00 1.71 C ATOM 0 H LEU A 9 4.280 -11.731 -3.276 1.00 0.76 H new ATOM 0 HA LEU A 9 2.990 -9.231 -3.296 1.00 0.73 H new ATOM 0 HB2 LEU A 9 5.741 -10.109 -2.464 1.00 0.74 H new ATOM 0 HB3 LEU A 9 5.188 -8.451 -2.328 1.00 0.74 H new ATOM 0 HG LEU A 9 3.045 -9.848 -1.315 1.00 0.81 H new ATOM 0 HD11 LEU A 9 3.891 -11.412 0.401 1.00 1.39 H new ATOM 0 HD12 LEU A 9 4.190 -11.987 -1.256 1.00 1.39 H new ATOM 0 HD13 LEU A 9 5.519 -11.283 -0.305 1.00 1.39 H new ATOM 0 HD21 LEU A 9 3.869 -9.062 0.937 1.00 1.71 H new ATOM 0 HD22 LEU A 9 5.473 -8.774 0.221 1.00 1.71 H new ATOM 0 HD23 LEU A 9 4.072 -7.817 -0.318 1.00 1.71 H new ATOM 136 N GLU A 10 5.473 -9.338 -5.506 1.00 0.78 N ATOM 137 CA GLU A 10 5.967 -8.747 -6.754 1.00 0.83 C ATOM 138 C GLU A 10 4.836 -8.648 -7.783 1.00 0.85 C ATOM 139 O GLU A 10 4.535 -7.578 -8.308 1.00 0.83 O ATOM 140 CB GLU A 10 7.099 -9.614 -7.338 1.00 0.85 C ATOM 141 CG GLU A 10 8.456 -9.485 -6.624 1.00 1.29 C ATOM 142 CD GLU A 10 9.444 -10.606 -6.960 1.00 1.38 C ATOM 143 OE1 GLU A 10 8.962 -11.698 -7.349 1.00 2.00 O ATOM 144 OE2 GLU A 10 10.663 -10.352 -6.814 1.00 2.56 O ATOM 0 H GLU A 10 6.065 -10.097 -5.168 1.00 0.78 H new ATOM 0 HA GLU A 10 6.344 -7.749 -6.533 1.00 0.83 H new ATOM 0 HB2 GLU A 10 6.788 -10.658 -7.308 1.00 0.85 H new ATOM 0 HB3 GLU A 10 7.232 -9.351 -8.387 1.00 0.85 H new ATOM 0 HG2 GLU A 10 8.905 -8.527 -6.888 1.00 1.29 H new ATOM 0 HG3 GLU A 10 8.289 -9.472 -5.547 1.00 1.29 H new ATOM 151 N GLU A 11 4.220 -9.793 -8.062 1.00 0.93 N ATOM 152 CA GLU A 11 3.129 -9.965 -9.001 1.00 1.00 C ATOM 153 C GLU A 11 2.000 -8.974 -8.695 1.00 0.89 C ATOM 154 O GLU A 11 1.560 -8.227 -9.567 1.00 0.91 O ATOM 155 CB GLU A 11 2.699 -11.434 -8.886 1.00 1.19 C ATOM 156 CG GLU A 11 1.545 -11.867 -9.785 1.00 1.60 C ATOM 157 CD GLU A 11 1.828 -11.676 -11.269 1.00 2.24 C ATOM 158 OE1 GLU A 11 2.990 -11.915 -11.666 1.00 2.73 O ATOM 159 OE2 GLU A 11 0.868 -11.313 -11.981 1.00 3.23 O ATOM 0 H GLU A 11 4.487 -10.669 -7.612 1.00 0.93 H new ATOM 0 HA GLU A 11 3.423 -9.751 -10.029 1.00 1.00 H new ATOM 0 HB2 GLU A 11 3.561 -12.062 -9.108 1.00 1.19 H new ATOM 0 HB3 GLU A 11 2.420 -11.630 -7.851 1.00 1.19 H new ATOM 0 HG2 GLU A 11 1.323 -12.918 -9.598 1.00 1.60 H new ATOM 0 HG3 GLU A 11 0.653 -11.300 -9.517 1.00 1.60 H new ATOM 166 N SER A 12 1.538 -8.942 -7.445 1.00 0.84 N ATOM 167 CA SER A 12 0.425 -8.097 -7.041 1.00 0.85 C ATOM 168 C SER A 12 0.796 -6.614 -7.122 1.00 0.72 C ATOM 169 O SER A 12 0.017 -5.815 -7.648 1.00 0.79 O ATOM 170 CB SER A 12 -0.112 -8.498 -5.662 1.00 0.91 C ATOM 171 OG SER A 12 0.886 -8.397 -4.671 1.00 1.58 O ATOM 0 H SER A 12 1.928 -9.503 -6.687 1.00 0.84 H new ATOM 0 HA SER A 12 -0.391 -8.254 -7.747 1.00 0.85 H new ATOM 0 HB2 SER A 12 -0.955 -7.859 -5.398 1.00 0.91 H new ATOM 0 HB3 SER A 12 -0.487 -9.521 -5.699 1.00 0.91 H new ATOM 0 HG SER A 12 1.478 -9.176 -4.722 1.00 1.58 H new ATOM 177 N ILE A 13 1.978 -6.217 -6.631 1.00 0.57 N ATOM 178 CA ILE A 13 2.379 -4.825 -6.737 1.00 0.52 C ATOM 179 C ILE A 13 2.507 -4.444 -8.210 1.00 0.55 C ATOM 180 O ILE A 13 2.071 -3.357 -8.578 1.00 0.56 O ATOM 181 CB ILE A 13 3.543 -4.433 -5.804 1.00 0.51 C ATOM 182 CG1 ILE A 13 4.834 -5.240 -5.970 1.00 0.57 C ATOM 183 CG2 ILE A 13 3.020 -4.565 -4.362 1.00 0.54 C ATOM 184 CD1 ILE A 13 5.748 -4.663 -7.038 1.00 0.72 C ATOM 0 H ILE A 13 2.651 -6.829 -6.170 1.00 0.57 H new ATOM 0 HA ILE A 13 1.591 -4.188 -6.335 1.00 0.52 H new ATOM 0 HB ILE A 13 3.838 -3.417 -6.066 1.00 0.51 H new ATOM 0 HG12 ILE A 13 5.365 -5.269 -5.019 1.00 0.57 H new ATOM 0 HG13 ILE A 13 4.585 -6.269 -6.227 1.00 0.57 H new ATOM 0 HG21 ILE A 13 3.811 -4.297 -3.662 1.00 0.54 H new ATOM 0 HG22 ILE A 13 2.169 -3.898 -4.221 1.00 0.54 H new ATOM 0 HG23 ILE A 13 2.708 -5.594 -4.181 1.00 0.54 H new ATOM 0 HD11 ILE A 13 6.648 -5.273 -7.115 1.00 0.72 H new ATOM 0 HD12 ILE A 13 5.230 -4.659 -7.997 1.00 0.72 H new ATOM 0 HD13 ILE A 13 6.023 -3.643 -6.770 1.00 0.72 H new ATOM 196 N GLU A 14 2.984 -5.349 -9.072 1.00 0.60 N ATOM 197 CA GLU A 14 2.948 -5.093 -10.502 1.00 0.63 C ATOM 198 C GLU A 14 1.500 -4.895 -10.961 1.00 0.64 C ATOM 199 O GLU A 14 1.179 -3.832 -11.475 1.00 0.61 O ATOM 200 CB GLU A 14 3.689 -6.164 -11.318 1.00 0.75 C ATOM 201 CG GLU A 14 4.362 -5.525 -12.547 1.00 0.91 C ATOM 202 CD GLU A 14 3.396 -4.740 -13.431 1.00 1.67 C ATOM 203 OE1 GLU A 14 2.457 -5.373 -13.958 1.00 2.14 O ATOM 204 OE2 GLU A 14 3.599 -3.511 -13.546 1.00 2.84 O ATOM 0 H GLU A 14 3.390 -6.246 -8.805 1.00 0.60 H new ATOM 0 HA GLU A 14 3.493 -4.168 -10.693 1.00 0.63 H new ATOM 0 HB2 GLU A 14 4.440 -6.651 -10.696 1.00 0.75 H new ATOM 0 HB3 GLU A 14 2.990 -6.937 -11.638 1.00 0.75 H new ATOM 0 HG2 GLU A 14 5.157 -4.859 -12.211 1.00 0.91 H new ATOM 0 HG3 GLU A 14 4.832 -6.308 -13.142 1.00 0.91 H new ATOM 211 N THR A 15 0.603 -5.867 -10.747 1.00 0.74 N ATOM 212 CA THR A 15 -0.741 -5.804 -11.320 1.00 0.89 C ATOM 213 C THR A 15 -1.462 -4.495 -10.955 1.00 0.85 C ATOM 214 O THR A 15 -2.177 -3.928 -11.783 1.00 0.94 O ATOM 215 CB THR A 15 -1.572 -7.075 -11.053 1.00 1.10 C ATOM 216 OG1 THR A 15 -2.502 -7.251 -12.104 1.00 1.47 O ATOM 217 CG2 THR A 15 -2.366 -7.069 -9.745 1.00 1.05 C ATOM 0 H THR A 15 0.785 -6.699 -10.185 1.00 0.74 H new ATOM 0 HA THR A 15 -0.621 -5.782 -12.403 1.00 0.89 H new ATOM 0 HB THR A 15 -0.842 -7.881 -10.983 1.00 1.10 H new ATOM 0 HG1 THR A 15 -3.032 -8.059 -11.940 1.00 1.47 H new ATOM 0 HG21 THR A 15 -2.916 -8.005 -9.649 1.00 1.05 H new ATOM 0 HG22 THR A 15 -1.681 -6.963 -8.904 1.00 1.05 H new ATOM 0 HG23 THR A 15 -3.067 -6.234 -9.749 1.00 1.05 H new ATOM 225 N VAL A 16 -1.256 -3.977 -9.739 1.00 0.76 N ATOM 226 CA VAL A 16 -1.781 -2.659 -9.396 1.00 0.77 C ATOM 227 C VAL A 16 -0.964 -1.551 -10.078 1.00 0.71 C ATOM 228 O VAL A 16 -1.555 -0.671 -10.696 1.00 0.93 O ATOM 229 CB VAL A 16 -1.984 -2.455 -7.884 1.00 0.77 C ATOM 230 CG1 VAL A 16 -2.865 -3.556 -7.285 1.00 0.84 C ATOM 231 CG2 VAL A 16 -0.684 -2.358 -7.088 1.00 0.67 C ATOM 0 H VAL A 16 -0.740 -4.442 -8.992 1.00 0.76 H new ATOM 0 HA VAL A 16 -2.791 -2.593 -9.800 1.00 0.77 H new ATOM 0 HB VAL A 16 -2.484 -1.490 -7.798 1.00 0.77 H new ATOM 0 HG11 VAL A 16 -2.988 -3.382 -6.216 1.00 0.84 H new ATOM 0 HG12 VAL A 16 -3.841 -3.545 -7.770 1.00 0.84 H new ATOM 0 HG13 VAL A 16 -2.393 -4.526 -7.443 1.00 0.84 H new ATOM 0 HG21 VAL A 16 -0.914 -2.215 -6.032 1.00 0.67 H new ATOM 0 HG22 VAL A 16 -0.111 -3.277 -7.213 1.00 0.67 H new ATOM 0 HG23 VAL A 16 -0.098 -1.513 -7.450 1.00 0.67 H new ATOM 241 N VAL A 17 0.373 -1.593 -10.021 1.00 0.52 N ATOM 242 CA VAL A 17 1.233 -0.615 -10.686 1.00 0.48 C ATOM 243 C VAL A 17 0.854 -0.439 -12.154 1.00 0.53 C ATOM 244 O VAL A 17 0.672 0.692 -12.592 1.00 0.51 O ATOM 245 CB VAL A 17 2.720 -0.958 -10.502 1.00 0.47 C ATOM 246 CG1 VAL A 17 3.637 -0.191 -11.467 1.00 0.50 C ATOM 247 CG2 VAL A 17 3.133 -0.604 -9.071 1.00 0.52 C ATOM 0 H VAL A 17 0.887 -2.310 -9.510 1.00 0.52 H new ATOM 0 HA VAL A 17 1.070 0.350 -10.205 1.00 0.48 H new ATOM 0 HB VAL A 17 2.832 -2.022 -10.711 1.00 0.47 H new ATOM 0 HG11 VAL A 17 4.674 -0.476 -11.288 1.00 0.50 H new ATOM 0 HG12 VAL A 17 3.367 -0.432 -12.495 1.00 0.50 H new ATOM 0 HG13 VAL A 17 3.522 0.881 -11.304 1.00 0.50 H new ATOM 0 HG21 VAL A 17 4.187 -0.843 -8.927 1.00 0.52 H new ATOM 0 HG22 VAL A 17 2.975 0.461 -8.900 1.00 0.52 H new ATOM 0 HG23 VAL A 17 2.531 -1.178 -8.366 1.00 0.52 H new ATOM 257 N THR A 18 0.718 -1.520 -12.918 1.00 0.68 N ATOM 258 CA THR A 18 0.294 -1.430 -14.305 1.00 0.80 C ATOM 259 C THR A 18 -1.095 -0.785 -14.401 1.00 0.84 C ATOM 260 O THR A 18 -1.268 0.125 -15.212 1.00 0.86 O ATOM 261 CB THR A 18 0.431 -2.782 -15.023 1.00 0.99 C ATOM 262 OG1 THR A 18 0.179 -2.635 -16.405 1.00 1.18 O ATOM 263 CG2 THR A 18 -0.498 -3.854 -14.459 1.00 1.03 C ATOM 0 H THR A 18 0.897 -2.471 -12.594 1.00 0.68 H new ATOM 0 HA THR A 18 0.964 -0.764 -14.848 1.00 0.80 H new ATOM 0 HB THR A 18 1.457 -3.112 -14.857 1.00 0.99 H new ATOM 0 HG1 THR A 18 0.272 -3.504 -16.849 1.00 1.18 H new ATOM 0 HG21 THR A 18 -0.354 -4.785 -15.007 1.00 1.03 H new ATOM 0 HG22 THR A 18 -0.271 -4.015 -13.405 1.00 1.03 H new ATOM 0 HG23 THR A 18 -1.533 -3.529 -14.561 1.00 1.03 H new ATOM 271 N THR A 19 -2.065 -1.166 -13.552 1.00 0.89 N ATOM 272 CA THR A 19 -3.371 -0.510 -13.520 1.00 0.99 C ATOM 273 C THR A 19 -3.172 1.005 -13.367 1.00 1.00 C ATOM 274 O THR A 19 -3.667 1.779 -14.184 1.00 1.14 O ATOM 275 CB THR A 19 -4.267 -1.133 -12.427 1.00 1.01 C ATOM 276 OG1 THR A 19 -4.380 -2.522 -12.660 1.00 1.04 O ATOM 277 CG2 THR A 19 -5.699 -0.581 -12.392 1.00 1.09 C ATOM 0 H THR A 19 -1.963 -1.927 -12.880 1.00 0.89 H new ATOM 0 HA THR A 19 -3.901 -0.671 -14.459 1.00 0.99 H new ATOM 0 HB THR A 19 -3.785 -0.888 -11.481 1.00 1.01 H new ATOM 0 HG1 THR A 19 -3.549 -2.967 -12.392 1.00 1.04 H new ATOM 0 HG21 THR A 19 -6.259 -1.072 -11.596 1.00 1.09 H new ATOM 0 HG22 THR A 19 -5.671 0.493 -12.206 1.00 1.09 H new ATOM 0 HG23 THR A 19 -6.186 -0.771 -13.349 1.00 1.09 H new ATOM 285 N PHE A 20 -2.390 1.432 -12.370 1.00 0.89 N ATOM 286 CA PHE A 20 -2.098 2.841 -12.138 1.00 0.88 C ATOM 287 C PHE A 20 -1.482 3.479 -13.385 1.00 0.81 C ATOM 288 O PHE A 20 -1.955 4.500 -13.868 1.00 0.90 O ATOM 289 CB PHE A 20 -1.120 3.025 -10.963 1.00 0.84 C ATOM 290 CG PHE A 20 -1.378 2.264 -9.676 1.00 2.46 C ATOM 291 CD1 PHE A 20 -2.667 1.822 -9.319 1.00 4.44 C ATOM 292 CD2 PHE A 20 -0.309 2.099 -8.773 1.00 3.35 C ATOM 293 CE1 PHE A 20 -2.873 1.191 -8.081 1.00 6.51 C ATOM 294 CE2 PHE A 20 -0.511 1.445 -7.548 1.00 5.47 C ATOM 295 CZ PHE A 20 -1.792 0.989 -7.203 1.00 6.89 C ATOM 0 H PHE A 20 -1.943 0.804 -11.702 1.00 0.89 H new ATOM 0 HA PHE A 20 -3.044 3.327 -11.900 1.00 0.88 H new ATOM 0 HB2 PHE A 20 -0.125 2.752 -11.315 1.00 0.84 H new ATOM 0 HB3 PHE A 20 -1.092 4.087 -10.719 1.00 0.84 H new ATOM 0 HD1 PHE A 20 -3.496 1.968 -9.996 1.00 4.44 H new ATOM 0 HD2 PHE A 20 0.671 2.478 -9.025 1.00 3.35 H new ATOM 0 HE1 PHE A 20 -3.863 0.860 -7.803 1.00 6.51 H new ATOM 0 HE2 PHE A 20 0.318 1.293 -6.872 1.00 5.47 H new ATOM 0 HZ PHE A 20 -1.949 0.482 -6.262 1.00 6.89 H new ATOM 305 N PHE A 21 -0.386 2.895 -13.865 1.00 0.69 N ATOM 306 CA PHE A 21 0.516 3.478 -14.844 1.00 0.77 C ATOM 307 C PHE A 21 -0.166 3.595 -16.199 1.00 1.13 C ATOM 308 O PHE A 21 -0.086 4.641 -16.842 1.00 1.26 O ATOM 309 CB PHE A 21 1.798 2.638 -14.910 1.00 0.99 C ATOM 310 CG PHE A 21 2.915 3.279 -15.707 1.00 1.26 C ATOM 311 CD1 PHE A 21 3.664 4.329 -15.141 1.00 2.46 C ATOM 312 CD2 PHE A 21 3.203 2.838 -17.012 1.00 2.15 C ATOM 313 CE1 PHE A 21 4.709 4.921 -15.871 1.00 2.89 C ATOM 314 CE2 PHE A 21 4.242 3.439 -17.745 1.00 2.65 C ATOM 315 CZ PHE A 21 4.994 4.482 -17.175 1.00 2.51 C ATOM 0 H PHE A 21 -0.094 1.964 -13.567 1.00 0.69 H new ATOM 0 HA PHE A 21 0.787 4.490 -14.542 1.00 0.77 H new ATOM 0 HB2 PHE A 21 2.150 2.451 -13.896 1.00 0.99 H new ATOM 0 HB3 PHE A 21 1.563 1.668 -15.349 1.00 0.99 H new ATOM 0 HD1 PHE A 21 3.435 4.679 -14.145 1.00 2.46 H new ATOM 0 HD2 PHE A 21 2.626 2.038 -17.451 1.00 2.15 H new ATOM 0 HE1 PHE A 21 5.294 5.714 -15.429 1.00 2.89 H new ATOM 0 HE2 PHE A 21 4.463 3.099 -18.746 1.00 2.65 H new ATOM 0 HZ PHE A 21 5.790 4.945 -17.739 1.00 2.51 H new ATOM 325 N THR A 22 -0.874 2.544 -16.622 1.00 1.35 N ATOM 326 CA THR A 22 -1.713 2.635 -17.803 1.00 1.62 C ATOM 327 C THR A 22 -2.699 3.784 -17.606 1.00 1.65 C ATOM 328 O THR A 22 -2.691 4.733 -18.383 1.00 1.89 O ATOM 329 CB THR A 22 -2.421 1.306 -18.104 1.00 1.71 C ATOM 330 OG1 THR A 22 -3.198 0.881 -17.006 1.00 2.11 O ATOM 331 CG2 THR A 22 -1.423 0.209 -18.491 1.00 3.49 C ATOM 0 H THR A 22 -0.879 1.632 -16.165 1.00 1.35 H new ATOM 0 HA THR A 22 -1.094 2.840 -18.677 1.00 1.62 H new ATOM 0 HB THR A 22 -3.081 1.484 -18.953 1.00 1.71 H new ATOM 0 HG1 THR A 22 -2.610 0.520 -16.310 1.00 2.11 H new ATOM 0 HG21 THR A 22 -1.961 -0.716 -18.697 1.00 3.49 H new ATOM 0 HG22 THR A 22 -0.873 0.515 -19.381 1.00 3.49 H new ATOM 0 HG23 THR A 22 -0.724 0.047 -17.671 1.00 3.49 H new ATOM 339 N PHE A 23 -3.509 3.741 -16.545 1.00 1.59 N ATOM 340 CA PHE A 23 -4.513 4.767 -16.278 1.00 1.72 C ATOM 341 C PHE A 23 -3.907 6.179 -16.283 1.00 1.54 C ATOM 342 O PHE A 23 -4.478 7.099 -16.850 1.00 1.73 O ATOM 343 CB PHE A 23 -5.227 4.456 -14.958 1.00 1.85 C ATOM 344 CG PHE A 23 -6.666 4.916 -14.895 1.00 1.58 C ATOM 345 CD1 PHE A 23 -7.668 4.099 -15.453 1.00 2.79 C ATOM 346 CD2 PHE A 23 -7.024 6.050 -14.144 1.00 2.09 C ATOM 347 CE1 PHE A 23 -9.022 4.372 -15.202 1.00 2.91 C ATOM 348 CE2 PHE A 23 -8.379 6.317 -13.889 1.00 2.78 C ATOM 349 CZ PHE A 23 -9.376 5.458 -14.387 1.00 2.56 C ATOM 0 H PHE A 23 -3.485 2.995 -15.850 1.00 1.59 H new ATOM 0 HA PHE A 23 -5.248 4.751 -17.083 1.00 1.72 H new ATOM 0 HB2 PHE A 23 -5.196 3.380 -14.789 1.00 1.85 H new ATOM 0 HB3 PHE A 23 -4.674 4.923 -14.143 1.00 1.85 H new ATOM 0 HD1 PHE A 23 -7.394 3.260 -16.076 1.00 2.79 H new ATOM 0 HD2 PHE A 23 -6.260 6.713 -13.765 1.00 2.09 H new ATOM 0 HE1 PHE A 23 -9.789 3.748 -15.635 1.00 2.91 H new ATOM 0 HE2 PHE A 23 -8.657 7.185 -13.309 1.00 2.78 H new ATOM 0 HZ PHE A 23 -10.413 5.634 -14.142 1.00 2.56 H new ATOM 359 N ALA A 24 -2.718 6.337 -15.703 1.00 1.30 N ATOM 360 CA ALA A 24 -1.945 7.562 -15.546 1.00 1.26 C ATOM 361 C ALA A 24 -1.591 8.211 -16.877 1.00 1.29 C ATOM 362 O ALA A 24 -1.172 9.374 -16.883 1.00 1.31 O ATOM 363 CB ALA A 24 -0.677 7.305 -14.726 1.00 1.04 C ATOM 0 H ALA A 24 -2.231 5.539 -15.296 1.00 1.30 H new ATOM 0 HA ALA A 24 -2.583 8.263 -15.008 1.00 1.26 H new ATOM 0 HB1 ALA A 24 -0.116 8.234 -14.622 1.00 1.04 H new ATOM 0 HB2 ALA A 24 -0.951 6.934 -13.738 1.00 1.04 H new ATOM 0 HB3 ALA A 24 -0.060 6.563 -15.233 1.00 1.04 H new ATOM 369 N ARG A 25 -1.696 7.468 -17.982 1.00 1.32 N ATOM 370 CA ARG A 25 -1.611 8.048 -19.313 1.00 1.33 C ATOM 371 C ARG A 25 -2.699 9.102 -19.540 1.00 1.17 C ATOM 372 O ARG A 25 -2.489 9.985 -20.367 1.00 1.19 O ATOM 373 CB ARG A 25 -1.652 6.948 -20.390 1.00 1.51 C ATOM 374 CG ARG A 25 -3.054 6.369 -20.645 1.00 1.78 C ATOM 375 CD ARG A 25 -3.855 7.047 -21.765 1.00 2.37 C ATOM 376 NE ARG A 25 -5.278 6.691 -21.635 1.00 2.79 N ATOM 377 CZ ARG A 25 -5.916 5.652 -22.193 1.00 3.04 C ATOM 378 NH1 ARG A 25 -5.297 4.856 -23.072 1.00 3.34 N ATOM 379 NH2 ARG A 25 -7.182 5.418 -21.839 1.00 3.80 N ATOM 0 H ARG A 25 -1.841 6.458 -17.974 1.00 1.32 H new ATOM 0 HA ARG A 25 -0.652 8.560 -19.395 1.00 1.33 H new ATOM 0 HB2 ARG A 25 -1.263 7.354 -21.324 1.00 1.51 H new ATOM 0 HB3 ARG A 25 -0.985 6.139 -20.093 1.00 1.51 H new ATOM 0 HG2 ARG A 25 -2.953 5.310 -20.884 1.00 1.78 H new ATOM 0 HG3 ARG A 25 -3.628 6.434 -19.721 1.00 1.78 H new ATOM 0 HD2 ARG A 25 -3.733 8.129 -21.710 1.00 2.37 H new ATOM 0 HD3 ARG A 25 -3.478 6.733 -22.738 1.00 2.37 H new ATOM 0 HE ARG A 25 -5.845 7.307 -21.052 1.00 2.79 H new ATOM 0 HH11 ARG A 25 -4.326 5.035 -23.327 1.00 3.34 H new ATOM 0 HH12 ARG A 25 -5.796 4.070 -23.488 1.00 3.34 H new ATOM 0 HH21 ARG A 25 -7.642 6.023 -21.159 1.00 3.80 H new ATOM 0 HH22 ARG A 25 -7.690 4.634 -22.249 1.00 3.80 H new ATOM 393 N GLN A 26 -3.859 8.971 -18.874 1.00 1.10 N ATOM 394 CA GLN A 26 -5.069 9.738 -19.168 1.00 0.99 C ATOM 395 C GLN A 26 -4.788 11.214 -19.453 1.00 0.98 C ATOM 396 O GLN A 26 -5.074 11.717 -20.537 1.00 1.05 O ATOM 397 CB GLN A 26 -6.054 9.628 -17.991 1.00 0.92 C ATOM 398 CG GLN A 26 -7.407 9.075 -18.392 1.00 1.05 C ATOM 399 CD GLN A 26 -7.380 7.572 -18.650 1.00 1.26 C ATOM 400 OE1 GLN A 26 -7.242 7.137 -19.794 1.00 1.95 O ATOM 401 NE2 GLN A 26 -7.517 6.760 -17.607 1.00 1.80 N ATOM 0 H GLN A 26 -3.978 8.315 -18.102 1.00 1.10 H new ATOM 0 HA GLN A 26 -5.500 9.309 -20.073 1.00 0.99 H new ATOM 0 HB2 GLN A 26 -5.621 8.988 -17.222 1.00 0.92 H new ATOM 0 HB3 GLN A 26 -6.189 10.614 -17.546 1.00 0.92 H new ATOM 0 HG2 GLN A 26 -8.130 9.291 -17.605 1.00 1.05 H new ATOM 0 HG3 GLN A 26 -7.751 9.587 -19.291 1.00 1.05 H new ATOM 0 HE21 GLN A 26 -7.630 7.148 -16.670 1.00 1.80 H new ATOM 0 HE22 GLN A 26 -7.509 5.749 -17.743 1.00 1.80 H new ATOM 410 N GLU A 27 -4.260 11.889 -18.435 1.00 0.97 N ATOM 411 CA GLU A 27 -3.954 13.308 -18.414 1.00 1.02 C ATOM 412 C GLU A 27 -2.473 13.454 -18.061 1.00 0.98 C ATOM 413 O GLU A 27 -1.805 12.453 -17.774 1.00 1.65 O ATOM 414 CB GLU A 27 -4.856 14.018 -17.387 1.00 1.12 C ATOM 415 CG GLU A 27 -6.353 13.763 -17.637 1.00 1.31 C ATOM 416 CD GLU A 27 -7.246 14.376 -16.565 1.00 1.78 C ATOM 417 OE1 GLU A 27 -6.880 14.321 -15.366 1.00 2.12 O ATOM 418 OE2 GLU A 27 -8.326 14.857 -16.965 1.00 2.89 O ATOM 0 H GLU A 27 -4.023 11.430 -17.556 1.00 0.97 H new ATOM 0 HA GLU A 27 -4.143 13.770 -19.383 1.00 1.02 H new ATOM 0 HB2 GLU A 27 -4.596 13.678 -16.384 1.00 1.12 H new ATOM 0 HB3 GLU A 27 -4.664 15.090 -17.420 1.00 1.12 H new ATOM 0 HG2 GLU A 27 -6.629 14.171 -18.609 1.00 1.31 H new ATOM 0 HG3 GLU A 27 -6.531 12.689 -17.680 1.00 1.31 H new ATOM 425 N GLY A 28 -1.983 14.699 -18.043 1.00 1.16 N ATOM 426 CA GLY A 28 -0.613 15.121 -17.746 1.00 1.41 C ATOM 427 C GLY A 28 0.265 14.060 -17.073 1.00 1.17 C ATOM 428 O GLY A 28 -0.123 13.494 -16.045 1.00 1.26 O ATOM 0 H GLY A 28 -2.582 15.498 -18.252 1.00 1.16 H new ATOM 0 HA2 GLY A 28 -0.135 15.429 -18.676 1.00 1.41 H new ATOM 0 HA3 GLY A 28 -0.652 15.999 -17.102 1.00 1.41 H new ATOM 432 N ARG A 29 1.427 13.770 -17.674 1.00 1.08 N ATOM 433 CA ARG A 29 2.410 12.820 -17.159 1.00 1.07 C ATOM 434 C ARG A 29 1.864 11.387 -17.115 1.00 1.17 C ATOM 435 O ARG A 29 1.021 11.059 -16.271 1.00 1.26 O ATOM 436 CB ARG A 29 3.005 13.256 -15.811 1.00 1.33 C ATOM 437 CG ARG A 29 4.346 13.993 -15.921 1.00 1.81 C ATOM 438 CD ARG A 29 4.237 15.377 -16.569 1.00 1.85 C ATOM 439 NE ARG A 29 5.570 15.992 -16.677 1.00 2.54 N ATOM 440 CZ ARG A 29 5.840 17.167 -17.268 1.00 3.21 C ATOM 441 NH1 ARG A 29 4.840 17.910 -17.756 1.00 3.63 N ATOM 442 NH2 ARG A 29 7.106 17.589 -17.373 1.00 4.20 N ATOM 0 H ARG A 29 1.712 14.202 -18.553 1.00 1.08 H new ATOM 0 HA ARG A 29 3.235 12.820 -17.871 1.00 1.07 H new ATOM 0 HB2 ARG A 29 2.289 13.903 -15.303 1.00 1.33 H new ATOM 0 HB3 ARG A 29 3.139 12.374 -15.184 1.00 1.33 H new ATOM 0 HG2 ARG A 29 4.774 14.101 -14.924 1.00 1.81 H new ATOM 0 HG3 ARG A 29 5.039 13.384 -16.501 1.00 1.81 H new ATOM 0 HD2 ARG A 29 3.787 15.290 -17.558 1.00 1.85 H new ATOM 0 HD3 ARG A 29 3.581 16.014 -15.976 1.00 1.85 H new ATOM 0 HE ARG A 29 6.354 15.483 -16.269 1.00 2.54 H new ATOM 0 HH11 ARG A 29 3.877 17.583 -17.678 1.00 3.63 H new ATOM 0 HH12 ARG A 29 5.041 18.803 -18.206 1.00 3.63 H new ATOM 0 HH21 ARG A 29 7.866 17.018 -17.004 1.00 4.20 H new ATOM 0 HH22 ARG A 29 7.310 18.482 -17.822 1.00 4.20 H new ATOM 456 N LYS A 30 2.311 10.540 -18.045 1.00 1.37 N ATOM 457 CA LYS A 30 2.125 9.091 -17.984 1.00 1.56 C ATOM 458 C LYS A 30 2.924 8.476 -16.820 1.00 1.62 C ATOM 459 O LYS A 30 3.799 7.644 -17.035 1.00 1.97 O ATOM 460 CB LYS A 30 2.447 8.455 -19.350 1.00 1.81 C ATOM 461 CG LYS A 30 3.857 8.749 -19.896 1.00 2.00 C ATOM 462 CD LYS A 30 4.102 7.930 -21.170 1.00 2.45 C ATOM 463 CE LYS A 30 5.521 8.182 -21.702 1.00 2.98 C ATOM 464 NZ LYS A 30 5.798 7.419 -22.938 1.00 4.05 N ATOM 0 H LYS A 30 2.820 10.848 -18.874 1.00 1.37 H new ATOM 0 HA LYS A 30 1.078 8.872 -17.773 1.00 1.56 H new ATOM 0 HB2 LYS A 30 2.325 7.375 -19.267 1.00 1.81 H new ATOM 0 HB3 LYS A 30 1.714 8.804 -20.077 1.00 1.81 H new ATOM 0 HG2 LYS A 30 3.959 9.813 -20.111 1.00 2.00 H new ATOM 0 HG3 LYS A 30 4.607 8.502 -19.144 1.00 2.00 H new ATOM 0 HD2 LYS A 30 3.968 6.869 -20.959 1.00 2.45 H new ATOM 0 HD3 LYS A 30 3.368 8.199 -21.930 1.00 2.45 H new ATOM 0 HE2 LYS A 30 5.650 9.247 -21.898 1.00 2.98 H new ATOM 0 HE3 LYS A 30 6.248 7.908 -20.937 1.00 2.98 H new ATOM 0 HZ1 LYS A 30 6.766 7.620 -23.260 1.00 4.05 H new ATOM 0 HZ2 LYS A 30 5.701 6.401 -22.747 1.00 4.05 H new ATOM 0 HZ3 LYS A 30 5.122 7.698 -23.677 1.00 4.05 H new ATOM 478 N ASP A 31 2.623 8.910 -15.593 1.00 1.57 N ATOM 479 CA ASP A 31 3.283 8.496 -14.361 1.00 1.75 C ATOM 480 C ASP A 31 2.387 8.920 -13.201 1.00 1.82 C ATOM 481 O ASP A 31 1.830 8.092 -12.485 1.00 2.43 O ATOM 482 CB ASP A 31 4.675 9.153 -14.239 1.00 1.77 C ATOM 483 CG ASP A 31 5.790 8.123 -14.166 1.00 2.82 C ATOM 484 OD1 ASP A 31 5.808 7.324 -13.205 1.00 3.64 O ATOM 485 OD2 ASP A 31 6.657 8.140 -15.065 1.00 3.71 O ATOM 0 H ASP A 31 1.880 9.589 -15.429 1.00 1.57 H new ATOM 0 HA ASP A 31 3.434 7.417 -14.355 1.00 1.75 H new ATOM 0 HB2 ASP A 31 4.842 9.808 -15.094 1.00 1.77 H new ATOM 0 HB3 ASP A 31 4.702 9.780 -13.348 1.00 1.77 H new ATOM 490 N SER A 32 2.228 10.237 -13.050 1.00 1.39 N ATOM 491 CA SER A 32 1.432 10.867 -12.020 1.00 1.41 C ATOM 492 C SER A 32 -0.030 10.964 -12.447 1.00 1.19 C ATOM 493 O SER A 32 -0.367 10.913 -13.642 1.00 1.27 O ATOM 494 CB SER A 32 2.014 12.261 -11.752 1.00 1.47 C ATOM 495 OG SER A 32 2.507 12.805 -12.956 1.00 1.82 O ATOM 0 H SER A 32 2.673 10.912 -13.672 1.00 1.39 H new ATOM 0 HA SER A 32 1.463 10.269 -11.109 1.00 1.41 H new ATOM 0 HB2 SER A 32 1.247 12.913 -11.334 1.00 1.47 H new ATOM 0 HB3 SER A 32 2.815 12.197 -11.015 1.00 1.47 H new ATOM 0 HG SER A 32 2.494 13.783 -12.902 1.00 1.82 H new ATOM 501 N LEU A 33 -0.899 11.126 -11.448 1.00 1.02 N ATOM 502 CA LEU A 33 -2.317 11.387 -11.645 1.00 0.99 C ATOM 503 C LEU A 33 -2.547 12.896 -11.456 1.00 1.05 C ATOM 504 O LEU A 33 -1.616 13.632 -11.125 1.00 1.70 O ATOM 505 CB LEU A 33 -3.180 10.481 -10.740 1.00 1.09 C ATOM 506 CG LEU A 33 -3.256 8.994 -11.154 1.00 1.11 C ATOM 507 CD1 LEU A 33 -4.050 8.736 -12.439 1.00 2.28 C ATOM 508 CD2 LEU A 33 -1.888 8.308 -11.242 1.00 1.72 C ATOM 0 H LEU A 33 -0.628 11.078 -10.466 1.00 1.02 H new ATOM 0 HA LEU A 33 -2.635 11.130 -12.655 1.00 0.99 H new ATOM 0 HB2 LEU A 33 -2.789 10.536 -9.724 1.00 1.09 H new ATOM 0 HB3 LEU A 33 -4.193 10.884 -10.714 1.00 1.09 H new ATOM 0 HG LEU A 33 -3.810 8.541 -10.332 1.00 1.11 H new ATOM 0 HD11 LEU A 33 -4.053 7.668 -12.656 1.00 2.28 H new ATOM 0 HD12 LEU A 33 -5.075 9.083 -12.309 1.00 2.28 H new ATOM 0 HD13 LEU A 33 -3.587 9.273 -13.267 1.00 2.28 H new ATOM 0 HD21 LEU A 33 -2.021 7.267 -11.538 1.00 1.72 H new ATOM 0 HD22 LEU A 33 -1.272 8.819 -11.981 1.00 1.72 H new ATOM 0 HD23 LEU A 33 -1.397 8.349 -10.270 1.00 1.72 H new ATOM 520 N SER A 34 -3.769 13.367 -11.680 1.00 0.86 N ATOM 521 CA SER A 34 -4.217 14.746 -11.518 1.00 0.92 C ATOM 522 C SER A 34 -5.653 14.672 -11.009 1.00 0.89 C ATOM 523 O SER A 34 -6.139 13.571 -10.777 1.00 0.84 O ATOM 524 CB SER A 34 -4.106 15.541 -12.822 1.00 1.19 C ATOM 525 OG SER A 34 -4.351 16.909 -12.540 1.00 2.12 O ATOM 0 H SER A 34 -4.521 12.757 -12.000 1.00 0.86 H new ATOM 0 HA SER A 34 -3.584 15.280 -10.810 1.00 0.92 H new ATOM 0 HB2 SER A 34 -3.115 15.416 -13.258 1.00 1.19 H new ATOM 0 HB3 SER A 34 -4.825 15.171 -13.553 1.00 1.19 H new ATOM 0 HG SER A 34 -3.772 17.200 -11.805 1.00 2.12 H new ATOM 531 N VAL A 35 -6.306 15.809 -10.770 1.00 1.03 N ATOM 532 CA VAL A 35 -7.646 15.864 -10.183 1.00 1.15 C ATOM 533 C VAL A 35 -8.605 14.885 -10.878 1.00 1.05 C ATOM 534 O VAL A 35 -9.108 13.947 -10.255 1.00 0.99 O ATOM 535 CB VAL A 35 -8.187 17.306 -10.221 1.00 1.51 C ATOM 536 CG1 VAL A 35 -9.598 17.390 -9.621 1.00 1.88 C ATOM 537 CG2 VAL A 35 -7.277 18.259 -9.440 1.00 2.17 C ATOM 0 H VAL A 35 -5.916 16.728 -10.980 1.00 1.03 H new ATOM 0 HA VAL A 35 -7.575 15.554 -9.141 1.00 1.15 H new ATOM 0 HB VAL A 35 -8.217 17.600 -11.270 1.00 1.51 H new ATOM 0 HG11 VAL A 35 -9.950 18.421 -9.663 1.00 1.88 H new ATOM 0 HG12 VAL A 35 -10.274 16.752 -10.190 1.00 1.88 H new ATOM 0 HG13 VAL A 35 -9.573 17.057 -8.583 1.00 1.88 H new ATOM 0 HG21 VAL A 35 -7.684 19.269 -9.485 1.00 2.17 H new ATOM 0 HG22 VAL A 35 -7.219 17.937 -8.400 1.00 2.17 H new ATOM 0 HG23 VAL A 35 -6.279 18.250 -9.879 1.00 2.17 H new ATOM 547 N ASN A 36 -8.875 15.107 -12.166 1.00 1.10 N ATOM 548 CA ASN A 36 -9.832 14.290 -12.900 1.00 1.08 C ATOM 549 C ASN A 36 -9.309 12.861 -13.042 1.00 1.06 C ATOM 550 O ASN A 36 -10.005 11.928 -12.653 1.00 1.09 O ATOM 551 CB ASN A 36 -10.183 14.937 -14.237 1.00 1.19 C ATOM 552 CG ASN A 36 -11.067 14.010 -15.068 1.00 1.28 C ATOM 553 OD1 ASN A 36 -12.121 13.585 -14.607 1.00 1.73 O ATOM 554 ND2 ASN A 36 -10.650 13.690 -16.286 1.00 1.99 N ATOM 0 H ASN A 36 -8.442 15.847 -12.719 1.00 1.10 H new ATOM 0 HA ASN A 36 -10.763 14.230 -12.337 1.00 1.08 H new ATOM 0 HB2 ASN A 36 -10.698 15.882 -14.065 1.00 1.19 H new ATOM 0 HB3 ASN A 36 -9.270 15.167 -14.787 1.00 1.19 H new ATOM 0 HD21 ASN A 36 -11.212 13.072 -16.871 1.00 1.99 H new ATOM 0 HD22 ASN A 36 -9.768 14.062 -16.637 1.00 1.99 H new ATOM 561 N GLU A 37 -8.067 12.688 -13.511 1.00 1.07 N ATOM 562 CA GLU A 37 -7.360 11.408 -13.511 1.00 1.07 C ATOM 563 C GLU A 37 -7.609 10.581 -12.241 1.00 1.02 C ATOM 564 O GLU A 37 -7.927 9.395 -12.299 1.00 1.09 O ATOM 565 CB GLU A 37 -5.850 11.678 -13.667 1.00 1.11 C ATOM 566 CG GLU A 37 -5.382 11.168 -15.022 1.00 0.94 C ATOM 567 CD GLU A 37 -3.901 11.344 -15.286 1.00 0.97 C ATOM 568 OE1 GLU A 37 -3.173 12.167 -14.693 1.00 1.44 O ATOM 569 OE2 GLU A 37 -3.361 10.643 -16.159 1.00 2.19 O ATOM 0 H GLU A 37 -7.518 13.450 -13.908 1.00 1.07 H new ATOM 0 HA GLU A 37 -7.743 10.820 -14.345 1.00 1.07 H new ATOM 0 HB2 GLU A 37 -5.649 12.746 -13.579 1.00 1.11 H new ATOM 0 HB3 GLU A 37 -5.297 11.183 -12.869 1.00 1.11 H new ATOM 0 HG2 GLU A 37 -5.628 10.109 -15.102 1.00 0.94 H new ATOM 0 HG3 GLU A 37 -5.941 11.685 -15.802 1.00 0.94 H new ATOM 576 N PHE A 38 -7.428 11.211 -11.083 1.00 0.95 N ATOM 577 CA PHE A 38 -7.642 10.599 -9.786 1.00 0.93 C ATOM 578 C PHE A 38 -9.122 10.267 -9.627 1.00 0.92 C ATOM 579 O PHE A 38 -9.459 9.125 -9.305 1.00 0.89 O ATOM 580 CB PHE A 38 -7.140 11.538 -8.677 1.00 0.93 C ATOM 581 CG PHE A 38 -7.543 11.164 -7.262 1.00 0.99 C ATOM 582 CD1 PHE A 38 -7.582 9.816 -6.857 1.00 1.98 C ATOM 583 CD2 PHE A 38 -7.980 12.168 -6.376 1.00 2.26 C ATOM 584 CE1 PHE A 38 -8.142 9.471 -5.616 1.00 2.45 C ATOM 585 CE2 PHE A 38 -8.489 11.822 -5.112 1.00 2.78 C ATOM 586 CZ PHE A 38 -8.580 10.473 -4.736 1.00 2.38 C ATOM 0 H PHE A 38 -7.122 12.182 -11.025 1.00 0.95 H new ATOM 0 HA PHE A 38 -7.077 9.670 -9.708 1.00 0.93 H new ATOM 0 HB2 PHE A 38 -6.052 11.578 -8.726 1.00 0.93 H new ATOM 0 HB3 PHE A 38 -7.506 12.543 -8.885 1.00 0.93 H new ATOM 0 HD1 PHE A 38 -7.181 9.047 -7.501 1.00 1.98 H new ATOM 0 HD2 PHE A 38 -7.924 13.206 -6.668 1.00 2.26 H new ATOM 0 HE1 PHE A 38 -8.236 8.432 -5.338 1.00 2.45 H new ATOM 0 HE2 PHE A 38 -8.810 12.595 -4.430 1.00 2.78 H new ATOM 0 HZ PHE A 38 -8.986 10.206 -3.771 1.00 2.38 H new ATOM 596 N LYS A 39 -10.011 11.241 -9.860 1.00 0.96 N ATOM 597 CA LYS A 39 -11.428 11.021 -9.628 1.00 0.95 C ATOM 598 C LYS A 39 -11.916 9.825 -10.444 1.00 0.92 C ATOM 599 O LYS A 39 -12.679 8.999 -9.940 1.00 0.91 O ATOM 600 CB LYS A 39 -12.279 12.269 -9.890 1.00 1.06 C ATOM 601 CG LYS A 39 -13.717 11.912 -9.480 1.00 1.19 C ATOM 602 CD LYS A 39 -14.665 13.109 -9.375 1.00 1.44 C ATOM 603 CE LYS A 39 -15.789 12.788 -8.377 1.00 1.87 C ATOM 604 NZ LYS A 39 -16.520 11.535 -8.674 1.00 3.50 N ATOM 0 H LYS A 39 -9.772 12.171 -10.203 1.00 0.96 H new ATOM 0 HA LYS A 39 -11.552 10.797 -8.568 1.00 0.95 H new ATOM 0 HB2 LYS A 39 -11.911 13.117 -9.313 1.00 1.06 H new ATOM 0 HB3 LYS A 39 -12.235 12.555 -10.941 1.00 1.06 H new ATOM 0 HG2 LYS A 39 -14.123 11.206 -10.205 1.00 1.19 H new ATOM 0 HG3 LYS A 39 -13.690 11.401 -8.518 1.00 1.19 H new ATOM 0 HD2 LYS A 39 -14.117 13.993 -9.049 1.00 1.44 H new ATOM 0 HD3 LYS A 39 -15.088 13.338 -10.353 1.00 1.44 H new ATOM 0 HE2 LYS A 39 -15.363 12.719 -7.376 1.00 1.87 H new ATOM 0 HE3 LYS A 39 -16.498 13.616 -8.366 1.00 1.87 H new ATOM 0 HZ1 LYS A 39 -17.116 11.280 -7.861 1.00 3.50 H new ATOM 0 HZ2 LYS A 39 -17.119 11.673 -9.513 1.00 3.50 H new ATOM 0 HZ3 LYS A 39 -15.839 10.771 -8.857 1.00 3.50 H new ATOM 618 N GLU A 40 -11.475 9.729 -11.692 1.00 0.94 N ATOM 619 CA GLU A 40 -11.750 8.598 -12.551 1.00 0.95 C ATOM 620 C GLU A 40 -11.425 7.273 -11.859 1.00 0.90 C ATOM 621 O GLU A 40 -12.215 6.342 -11.946 1.00 0.89 O ATOM 622 CB GLU A 40 -10.985 8.785 -13.863 1.00 0.97 C ATOM 623 CG GLU A 40 -11.783 9.694 -14.801 1.00 1.15 C ATOM 624 CD GLU A 40 -12.747 8.891 -15.676 1.00 2.31 C ATOM 625 OE1 GLU A 40 -13.189 7.810 -15.216 1.00 3.24 O ATOM 626 OE2 GLU A 40 -13.006 9.355 -16.804 1.00 3.02 O ATOM 0 H GLU A 40 -10.907 10.450 -12.137 1.00 0.94 H new ATOM 0 HA GLU A 40 -12.816 8.553 -12.774 1.00 0.95 H new ATOM 0 HB2 GLU A 40 -10.006 9.221 -13.665 1.00 0.97 H new ATOM 0 HB3 GLU A 40 -10.814 7.818 -14.336 1.00 0.97 H new ATOM 0 HG2 GLU A 40 -12.343 10.422 -14.214 1.00 1.15 H new ATOM 0 HG3 GLU A 40 -11.097 10.256 -15.435 1.00 1.15 H new ATOM 633 N LEU A 41 -10.311 7.155 -11.133 1.00 0.90 N ATOM 634 CA LEU A 41 -9.953 5.870 -10.544 1.00 0.90 C ATOM 635 C LEU A 41 -11.044 5.440 -9.566 1.00 0.89 C ATOM 636 O LEU A 41 -11.525 4.309 -9.609 1.00 0.92 O ATOM 637 CB LEU A 41 -8.600 5.963 -9.828 1.00 0.87 C ATOM 638 CG LEU A 41 -8.088 4.570 -9.406 1.00 0.98 C ATOM 639 CD1 LEU A 41 -7.029 4.076 -10.399 1.00 2.86 C ATOM 640 CD2 LEU A 41 -7.528 4.628 -7.982 1.00 1.77 C ATOM 0 H LEU A 41 -9.658 7.915 -10.944 1.00 0.90 H new ATOM 0 HA LEU A 41 -9.865 5.126 -11.336 1.00 0.90 H new ATOM 0 HB2 LEU A 41 -7.871 6.436 -10.486 1.00 0.87 H new ATOM 0 HB3 LEU A 41 -8.696 6.599 -8.948 1.00 0.87 H new ATOM 0 HG LEU A 41 -8.917 3.862 -9.416 1.00 0.98 H new ATOM 0 HD11 LEU A 41 -6.674 3.092 -10.093 1.00 2.86 H new ATOM 0 HD12 LEU A 41 -7.467 4.010 -11.395 1.00 2.86 H new ATOM 0 HD13 LEU A 41 -6.192 4.775 -10.416 1.00 2.86 H new ATOM 0 HD21 LEU A 41 -7.169 3.641 -7.692 1.00 1.77 H new ATOM 0 HD22 LEU A 41 -6.703 5.340 -7.944 1.00 1.77 H new ATOM 0 HD23 LEU A 41 -8.313 4.945 -7.295 1.00 1.77 H new ATOM 652 N VAL A 42 -11.439 6.372 -8.695 1.00 0.88 N ATOM 653 CA VAL A 42 -12.349 6.089 -7.600 1.00 0.90 C ATOM 654 C VAL A 42 -13.757 5.886 -8.150 1.00 0.95 C ATOM 655 O VAL A 42 -14.462 4.951 -7.786 1.00 1.07 O ATOM 656 CB VAL A 42 -12.276 7.189 -6.523 1.00 0.92 C ATOM 657 CG1 VAL A 42 -10.999 7.035 -5.689 1.00 0.91 C ATOM 658 CG2 VAL A 42 -12.349 8.623 -7.028 1.00 1.01 C ATOM 0 H VAL A 42 -11.132 7.344 -8.736 1.00 0.88 H new ATOM 0 HA VAL A 42 -12.052 5.165 -7.104 1.00 0.90 H new ATOM 0 HB VAL A 42 -13.177 7.033 -5.929 1.00 0.92 H new ATOM 0 HG11 VAL A 42 -10.962 7.819 -4.933 1.00 0.91 H new ATOM 0 HG12 VAL A 42 -10.998 6.060 -5.201 1.00 0.91 H new ATOM 0 HG13 VAL A 42 -10.128 7.116 -6.339 1.00 0.91 H new ATOM 0 HG21 VAL A 42 -12.288 9.310 -6.184 1.00 1.01 H new ATOM 0 HG22 VAL A 42 -11.519 8.811 -7.709 1.00 1.01 H new ATOM 0 HG23 VAL A 42 -13.292 8.776 -7.553 1.00 1.01 H new ATOM 668 N THR A 43 -14.156 6.784 -9.045 1.00 0.91 N ATOM 669 CA THR A 43 -15.473 6.804 -9.647 1.00 0.96 C ATOM 670 C THR A 43 -15.680 5.547 -10.499 1.00 1.01 C ATOM 671 O THR A 43 -16.738 4.926 -10.439 1.00 1.09 O ATOM 672 CB THR A 43 -15.594 8.114 -10.437 1.00 1.01 C ATOM 673 OG1 THR A 43 -15.367 9.209 -9.558 1.00 1.04 O ATOM 674 CG2 THR A 43 -16.965 8.283 -11.094 1.00 1.17 C ATOM 0 H THR A 43 -13.552 7.536 -9.377 1.00 0.91 H new ATOM 0 HA THR A 43 -16.266 6.782 -8.900 1.00 0.96 H new ATOM 0 HB THR A 43 -14.850 8.084 -11.233 1.00 1.01 H new ATOM 0 HG1 THR A 43 -14.405 9.310 -9.403 1.00 1.04 H new ATOM 0 HG21 THR A 43 -16.993 9.227 -11.639 1.00 1.17 H new ATOM 0 HG22 THR A 43 -17.141 7.459 -11.786 1.00 1.17 H new ATOM 0 HG23 THR A 43 -17.739 8.284 -10.326 1.00 1.17 H new ATOM 682 N GLN A 44 -14.679 5.195 -11.308 1.00 1.01 N ATOM 683 CA GLN A 44 -14.751 4.106 -12.267 1.00 1.11 C ATOM 684 C GLN A 44 -14.504 2.755 -11.576 1.00 1.13 C ATOM 685 O GLN A 44 -15.384 1.897 -11.589 1.00 1.07 O ATOM 686 CB GLN A 44 -13.764 4.427 -13.398 1.00 1.32 C ATOM 687 CG GLN A 44 -14.105 3.862 -14.775 1.00 1.91 C ATOM 688 CD GLN A 44 -12.914 4.077 -15.704 1.00 2.17 C ATOM 689 OE1 GLN A 44 -12.313 3.116 -16.175 1.00 2.27 O ATOM 690 NE2 GLN A 44 -12.499 5.319 -15.931 1.00 2.83 N ATOM 0 H GLN A 44 -13.778 5.674 -11.310 1.00 1.01 H new ATOM 0 HA GLN A 44 -15.746 4.013 -12.702 1.00 1.11 H new ATOM 0 HB2 GLN A 44 -13.683 5.511 -13.484 1.00 1.32 H new ATOM 0 HB3 GLN A 44 -12.781 4.055 -13.110 1.00 1.32 H new ATOM 0 HG2 GLN A 44 -14.338 2.800 -14.700 1.00 1.91 H new ATOM 0 HG3 GLN A 44 -14.990 4.355 -15.176 1.00 1.91 H new ATOM 0 HE21 GLN A 44 -13.009 6.108 -15.533 1.00 2.83 H new ATOM 0 HE22 GLN A 44 -11.671 5.483 -16.503 1.00 2.83 H new ATOM 699 N GLN A 45 -13.328 2.559 -10.956 1.00 1.29 N ATOM 700 CA GLN A 45 -12.927 1.285 -10.347 1.00 1.48 C ATOM 701 C GLN A 45 -12.843 1.367 -8.813 1.00 1.55 C ATOM 702 O GLN A 45 -11.819 1.018 -8.227 1.00 2.65 O ATOM 703 CB GLN A 45 -11.599 0.789 -10.961 1.00 1.94 C ATOM 704 CG GLN A 45 -11.773 -0.021 -12.252 1.00 2.21 C ATOM 705 CD GLN A 45 -12.212 0.812 -13.444 1.00 3.46 C ATOM 706 OE1 GLN A 45 -13.327 0.668 -13.931 1.00 4.64 O ATOM 707 NE2 GLN A 45 -11.330 1.668 -13.951 1.00 4.29 N ATOM 0 H GLN A 45 -12.623 3.291 -10.864 1.00 1.29 H new ATOM 0 HA GLN A 45 -13.706 0.556 -10.571 1.00 1.48 H new ATOM 0 HB2 GLN A 45 -10.962 1.649 -11.167 1.00 1.94 H new ATOM 0 HB3 GLN A 45 -11.078 0.175 -10.226 1.00 1.94 H new ATOM 0 HG2 GLN A 45 -10.830 -0.512 -12.492 1.00 2.21 H new ATOM 0 HG3 GLN A 45 -12.508 -0.808 -12.080 1.00 2.21 H new ATOM 0 HE21 GLN A 45 -10.409 1.765 -13.523 1.00 4.29 H new ATOM 0 HE22 GLN A 45 -11.574 2.228 -14.768 1.00 4.29 H new ATOM 716 N LEU A 46 -13.931 1.748 -8.134 1.00 1.39 N ATOM 717 CA LEU A 46 -14.040 1.608 -6.680 1.00 1.33 C ATOM 718 C LEU A 46 -15.527 1.627 -6.273 1.00 1.45 C ATOM 719 O LEU A 46 -16.063 2.666 -5.894 1.00 1.84 O ATOM 720 CB LEU A 46 -13.182 2.682 -5.986 1.00 1.23 C ATOM 721 CG LEU A 46 -12.416 2.155 -4.763 1.00 1.12 C ATOM 722 CD1 LEU A 46 -11.291 1.180 -5.149 1.00 1.46 C ATOM 723 CD2 LEU A 46 -11.763 3.356 -4.080 1.00 1.61 C ATOM 0 H LEU A 46 -14.754 2.159 -8.574 1.00 1.39 H new ATOM 0 HA LEU A 46 -13.643 0.648 -6.349 1.00 1.33 H new ATOM 0 HB2 LEU A 46 -12.470 3.087 -6.705 1.00 1.23 H new ATOM 0 HB3 LEU A 46 -13.825 3.505 -5.675 1.00 1.23 H new ATOM 0 HG LEU A 46 -13.121 1.626 -4.122 1.00 1.12 H new ATOM 0 HD11 LEU A 46 -10.781 0.837 -4.248 1.00 1.46 H new ATOM 0 HD12 LEU A 46 -11.715 0.324 -5.674 1.00 1.46 H new ATOM 0 HD13 LEU A 46 -10.578 1.687 -5.799 1.00 1.46 H new ATOM 0 HD21 LEU A 46 -11.208 3.019 -3.204 1.00 1.61 H new ATOM 0 HD22 LEU A 46 -11.081 3.844 -4.776 1.00 1.61 H new ATOM 0 HD23 LEU A 46 -12.534 4.063 -3.772 1.00 1.61 H new ATOM 735 N PRO A 47 -16.231 0.490 -6.396 1.00 1.34 N ATOM 736 CA PRO A 47 -17.679 0.435 -6.304 1.00 1.65 C ATOM 737 C PRO A 47 -18.167 0.563 -4.863 1.00 1.70 C ATOM 738 O PRO A 47 -19.137 1.291 -4.625 1.00 2.14 O ATOM 739 CB PRO A 47 -18.083 -0.899 -6.937 1.00 1.74 C ATOM 740 CG PRO A 47 -16.868 -1.792 -6.697 1.00 1.47 C ATOM 741 CD PRO A 47 -15.693 -0.814 -6.727 1.00 1.21 C ATOM 0 HA PRO A 47 -18.141 1.273 -6.826 1.00 1.65 H new ATOM 0 HB2 PRO A 47 -18.980 -1.308 -6.472 1.00 1.74 H new ATOM 0 HB3 PRO A 47 -18.297 -0.790 -8.000 1.00 1.74 H new ATOM 0 HG2 PRO A 47 -16.934 -2.311 -5.741 1.00 1.47 H new ATOM 0 HG3 PRO A 47 -16.773 -2.556 -7.468 1.00 1.47 H new ATOM 0 HD2 PRO A 47 -14.925 -1.109 -6.012 1.00 1.21 H new ATOM 0 HD3 PRO A 47 -15.224 -0.801 -7.711 1.00 1.21 H new ATOM 749 N HIS A 48 -17.537 -0.141 -3.908 1.00 1.48 N ATOM 750 CA HIS A 48 -17.895 -0.027 -2.501 1.00 1.51 C ATOM 751 C HIS A 48 -16.796 0.686 -1.727 1.00 1.65 C ATOM 752 O HIS A 48 -16.976 1.843 -1.373 1.00 2.80 O ATOM 753 CB HIS A 48 -18.272 -1.379 -1.874 1.00 1.44 C ATOM 754 CG HIS A 48 -19.071 -1.168 -0.609 1.00 1.77 C ATOM 755 ND1 HIS A 48 -18.577 -0.973 0.667 1.00 2.85 N ATOM 756 CD2 HIS A 48 -20.387 -0.788 -0.594 1.00 2.43 C ATOM 757 CE1 HIS A 48 -19.578 -0.472 1.413 1.00 3.19 C ATOM 758 NE2 HIS A 48 -20.698 -0.329 0.686 1.00 2.77 N ATOM 0 H HIS A 48 -16.776 -0.794 -4.095 1.00 1.48 H new ATOM 0 HA HIS A 48 -18.796 0.583 -2.439 1.00 1.51 H new ATOM 0 HB2 HIS A 48 -18.853 -1.967 -2.585 1.00 1.44 H new ATOM 0 HB3 HIS A 48 -17.369 -1.948 -1.651 1.00 1.44 H new ATOM 0 HD1 HIS A 48 -17.628 -1.172 0.984 1.00 2.85 H new ATOM 0 HD2 HIS A 48 -21.068 -0.836 -1.431 1.00 2.43 H new ATOM 0 HE1 HIS A 48 -19.492 -0.218 2.459 1.00 3.19 H new ATOM 766 N LEU A 49 -15.683 0.007 -1.461 1.00 1.19 N ATOM 767 CA LEU A 49 -14.622 0.355 -0.522 1.00 1.06 C ATOM 768 C LEU A 49 -14.881 1.556 0.414 1.00 1.09 C ATOM 769 O LEU A 49 -15.397 1.378 1.519 1.00 1.47 O ATOM 770 CB LEU A 49 -13.307 0.447 -1.305 1.00 1.02 C ATOM 771 CG LEU A 49 -12.086 -0.025 -0.518 1.00 0.98 C ATOM 772 CD1 LEU A 49 -12.138 -1.513 -0.143 1.00 1.09 C ATOM 773 CD2 LEU A 49 -10.884 0.182 -1.430 1.00 1.16 C ATOM 0 H LEU A 49 -15.485 -0.873 -1.936 1.00 1.19 H new ATOM 0 HA LEU A 49 -14.572 -0.448 0.213 1.00 1.06 H new ATOM 0 HB2 LEU A 49 -13.394 -0.148 -2.214 1.00 1.02 H new ATOM 0 HB3 LEU A 49 -13.151 1.480 -1.614 1.00 1.02 H new ATOM 0 HG LEU A 49 -12.039 0.537 0.415 1.00 0.98 H new ATOM 0 HD11 LEU A 49 -11.240 -1.779 0.414 1.00 1.09 H new ATOM 0 HD12 LEU A 49 -13.017 -1.702 0.473 1.00 1.09 H new ATOM 0 HD13 LEU A 49 -12.194 -2.115 -1.050 1.00 1.09 H new ATOM 0 HD21 LEU A 49 -9.978 -0.140 -0.917 1.00 1.16 H new ATOM 0 HD22 LEU A 49 -11.013 -0.403 -2.340 1.00 1.16 H new ATOM 0 HD23 LEU A 49 -10.800 1.238 -1.687 1.00 1.16 H new ATOM 785 N LEU A 50 -14.485 2.771 0.016 1.00 1.00 N ATOM 786 CA LEU A 50 -14.639 3.990 0.808 1.00 1.29 C ATOM 787 C LEU A 50 -16.058 4.544 0.721 1.00 1.58 C ATOM 788 O LEU A 50 -16.498 5.264 1.615 1.00 3.06 O ATOM 789 CB LEU A 50 -13.670 5.065 0.282 1.00 1.34 C ATOM 790 CG LEU A 50 -12.282 5.024 0.936 1.00 1.33 C ATOM 791 CD1 LEU A 50 -11.298 5.831 0.083 1.00 1.51 C ATOM 792 CD2 LEU A 50 -12.342 5.638 2.343 1.00 1.56 C ATOM 0 H LEU A 50 -14.039 2.934 -0.887 1.00 1.00 H new ATOM 0 HA LEU A 50 -14.423 3.739 1.847 1.00 1.29 H new ATOM 0 HB2 LEU A 50 -13.557 4.943 -0.795 1.00 1.34 H new ATOM 0 HB3 LEU A 50 -14.110 6.049 0.447 1.00 1.34 H new ATOM 0 HG LEU A 50 -11.954 3.987 1.009 1.00 1.33 H new ATOM 0 HD11 LEU A 50 -10.311 5.805 0.544 1.00 1.51 H new ATOM 0 HD12 LEU A 50 -11.244 5.399 -0.916 1.00 1.51 H new ATOM 0 HD13 LEU A 50 -11.639 6.864 0.014 1.00 1.51 H new ATOM 0 HD21 LEU A 50 -11.352 5.604 2.798 1.00 1.56 H new ATOM 0 HD22 LEU A 50 -12.674 6.674 2.274 1.00 1.56 H new ATOM 0 HD23 LEU A 50 -13.043 5.073 2.957 1.00 1.56 H new ATOM 804 N LYS A 51 -16.736 4.267 -0.394 1.00 1.38 N ATOM 805 CA LYS A 51 -17.848 5.038 -0.904 1.00 1.50 C ATOM 806 C LYS A 51 -17.454 6.501 -1.031 1.00 1.70 C ATOM 807 O LYS A 51 -16.269 6.831 -1.022 1.00 2.55 O ATOM 808 CB LYS A 51 -19.116 4.783 -0.065 1.00 1.65 C ATOM 809 CG LYS A 51 -19.832 3.499 -0.482 1.00 3.45 C ATOM 810 CD LYS A 51 -20.282 3.606 -1.948 1.00 5.40 C ATOM 811 CE LYS A 51 -21.326 2.540 -2.298 1.00 6.66 C ATOM 812 NZ LYS A 51 -21.453 2.355 -3.758 1.00 8.54 N ATOM 0 H LYS A 51 -16.509 3.466 -0.983 1.00 1.38 H new ATOM 0 HA LYS A 51 -18.103 4.711 -1.912 1.00 1.50 H new ATOM 0 HB2 LYS A 51 -18.846 4.721 0.989 1.00 1.65 H new ATOM 0 HB3 LYS A 51 -19.796 5.628 -0.171 1.00 1.65 H new ATOM 0 HG2 LYS A 51 -19.167 2.644 -0.358 1.00 3.45 H new ATOM 0 HG3 LYS A 51 -20.695 3.328 0.161 1.00 3.45 H new ATOM 0 HD2 LYS A 51 -20.698 4.597 -2.130 1.00 5.40 H new ATOM 0 HD3 LYS A 51 -19.418 3.498 -2.603 1.00 5.40 H new ATOM 0 HE2 LYS A 51 -21.048 1.593 -1.834 1.00 6.66 H new ATOM 0 HE3 LYS A 51 -22.292 2.827 -1.883 1.00 6.66 H new ATOM 0 HZ1 LYS A 51 -22.415 2.031 -3.984 1.00 8.54 H new ATOM 0 HZ2 LYS A 51 -21.270 3.258 -4.240 1.00 8.54 H new ATOM 0 HZ3 LYS A 51 -20.764 1.646 -4.079 1.00 8.54 H new ATOM 826 N ASP A 52 -18.453 7.366 -1.219 1.00 1.87 N ATOM 827 CA ASP A 52 -18.245 8.794 -1.197 1.00 1.92 C ATOM 828 C ASP A 52 -17.226 9.183 -2.268 1.00 1.81 C ATOM 829 O ASP A 52 -16.259 9.919 -2.087 1.00 1.97 O ATOM 830 CB ASP A 52 -17.929 9.205 0.229 1.00 2.14 C ATOM 831 CG ASP A 52 -17.602 10.683 0.287 1.00 2.84 C ATOM 832 OD1 ASP A 52 -18.283 11.453 -0.433 1.00 3.85 O ATOM 833 OD2 ASP A 52 -16.634 11.002 1.010 1.00 3.47 O ATOM 0 H ASP A 52 -19.419 7.087 -1.389 1.00 1.87 H new ATOM 0 HA ASP A 52 -19.136 9.360 -1.470 1.00 1.92 H new ATOM 0 HB2 ASP A 52 -18.780 8.988 0.875 1.00 2.14 H new ATOM 0 HB3 ASP A 52 -17.087 8.624 0.605 1.00 2.14 H new ATOM 838 N VAL A 53 -17.558 8.693 -3.458 1.00 1.74 N ATOM 839 CA VAL A 53 -17.026 9.121 -4.732 1.00 1.80 C ATOM 840 C VAL A 53 -17.528 10.543 -5.073 1.00 1.85 C ATOM 841 O VAL A 53 -17.159 11.095 -6.113 1.00 2.16 O ATOM 842 CB VAL A 53 -17.399 8.001 -5.734 1.00 1.80 C ATOM 843 CG1 VAL A 53 -18.143 8.451 -6.987 1.00 3.26 C ATOM 844 CG2 VAL A 53 -16.159 7.176 -6.068 1.00 2.67 C ATOM 0 H VAL A 53 -18.244 7.945 -3.557 1.00 1.74 H new ATOM 0 HA VAL A 53 -15.942 9.237 -4.748 1.00 1.80 H new ATOM 0 HB VAL A 53 -18.134 7.380 -5.223 1.00 1.80 H new ATOM 0 HG11 VAL A 53 -18.353 7.586 -7.616 1.00 3.26 H new ATOM 0 HG12 VAL A 53 -19.081 8.928 -6.702 1.00 3.26 H new ATOM 0 HG13 VAL A 53 -17.528 9.161 -7.540 1.00 3.26 H new ATOM 0 HG21 VAL A 53 -16.425 6.389 -6.773 1.00 2.67 H new ATOM 0 HG22 VAL A 53 -15.402 7.821 -6.513 1.00 2.67 H new ATOM 0 HG23 VAL A 53 -15.764 6.728 -5.156 1.00 2.67 H new ATOM 854 N GLY A 54 -18.359 11.139 -4.204 1.00 1.66 N ATOM 855 CA GLY A 54 -18.788 12.524 -4.262 1.00 1.71 C ATOM 856 C GLY A 54 -17.766 13.436 -3.585 1.00 1.59 C ATOM 857 O GLY A 54 -17.139 14.247 -4.268 1.00 1.64 O ATOM 0 H GLY A 54 -18.761 10.638 -3.412 1.00 1.66 H new ATOM 0 HA2 GLY A 54 -18.920 12.826 -5.301 1.00 1.71 H new ATOM 0 HA3 GLY A 54 -19.757 12.630 -3.774 1.00 1.71 H new ATOM 861 N SER A 55 -17.585 13.322 -2.261 1.00 1.58 N ATOM 862 CA SER A 55 -16.698 14.199 -1.501 1.00 1.57 C ATOM 863 C SER A 55 -15.249 13.750 -1.717 1.00 1.39 C ATOM 864 O SER A 55 -14.594 13.189 -0.840 1.00 1.62 O ATOM 865 CB SER A 55 -17.114 14.236 -0.018 1.00 1.73 C ATOM 866 OG SER A 55 -16.740 15.472 0.557 1.00 1.99 O ATOM 0 H SER A 55 -18.052 12.617 -1.691 1.00 1.58 H new ATOM 0 HA SER A 55 -16.779 15.226 -1.857 1.00 1.57 H new ATOM 0 HB2 SER A 55 -18.191 14.096 0.070 1.00 1.73 H new ATOM 0 HB3 SER A 55 -16.641 13.416 0.522 1.00 1.73 H new ATOM 0 HG SER A 55 -16.199 15.310 1.358 1.00 1.99 H new ATOM 872 N LEU A 56 -14.765 13.934 -2.943 1.00 1.27 N ATOM 873 CA LEU A 56 -13.487 13.456 -3.411 1.00 1.22 C ATOM 874 C LEU A 56 -12.356 14.395 -2.974 1.00 1.09 C ATOM 875 O LEU A 56 -11.262 13.935 -2.651 1.00 1.08 O ATOM 876 CB LEU A 56 -13.642 13.269 -4.929 1.00 1.29 C ATOM 877 CG LEU A 56 -12.480 12.606 -5.675 1.00 1.27 C ATOM 878 CD1 LEU A 56 -11.470 13.653 -6.150 1.00 1.17 C ATOM 879 CD2 LEU A 56 -11.816 11.507 -4.854 1.00 1.31 C ATOM 0 H LEU A 56 -15.282 14.443 -3.660 1.00 1.27 H new ATOM 0 HA LEU A 56 -13.197 12.501 -2.972 1.00 1.22 H new ATOM 0 HB2 LEU A 56 -14.539 12.676 -5.106 1.00 1.29 H new ATOM 0 HB3 LEU A 56 -13.814 14.249 -5.374 1.00 1.29 H new ATOM 0 HG LEU A 56 -12.895 12.118 -6.557 1.00 1.27 H new ATOM 0 HD11 LEU A 56 -10.654 13.159 -6.677 1.00 1.17 H new ATOM 0 HD12 LEU A 56 -11.963 14.355 -6.822 1.00 1.17 H new ATOM 0 HD13 LEU A 56 -11.073 14.192 -5.290 1.00 1.17 H new ATOM 0 HD21 LEU A 56 -10.999 11.068 -5.427 1.00 1.31 H new ATOM 0 HD22 LEU A 56 -11.425 11.930 -3.929 1.00 1.31 H new ATOM 0 HD23 LEU A 56 -12.549 10.735 -4.619 1.00 1.31 H new ATOM 891 N ASP A 57 -12.602 15.708 -2.944 1.00 1.10 N ATOM 892 CA ASP A 57 -11.582 16.706 -2.638 1.00 1.15 C ATOM 893 C ASP A 57 -10.874 16.416 -1.306 1.00 1.16 C ATOM 894 O ASP A 57 -9.654 16.504 -1.222 1.00 1.23 O ATOM 895 CB ASP A 57 -12.178 18.120 -2.672 1.00 1.40 C ATOM 896 CG ASP A 57 -12.918 18.450 -1.388 1.00 2.77 C ATOM 897 OD1 ASP A 57 -13.733 17.596 -0.982 1.00 3.62 O ATOM 898 OD2 ASP A 57 -12.584 19.499 -0.795 1.00 3.97 O ATOM 0 H ASP A 57 -13.521 16.107 -3.133 1.00 1.10 H new ATOM 0 HA ASP A 57 -10.818 16.647 -3.413 1.00 1.15 H new ATOM 0 HB2 ASP A 57 -11.381 18.847 -2.830 1.00 1.40 H new ATOM 0 HB3 ASP A 57 -12.860 18.207 -3.518 1.00 1.40 H new ATOM 903 N GLU A 58 -11.616 16.059 -0.261 1.00 1.20 N ATOM 904 CA GLU A 58 -11.041 15.652 1.017 1.00 1.32 C ATOM 905 C GLU A 58 -10.086 14.452 0.862 1.00 1.30 C ATOM 906 O GLU A 58 -8.993 14.466 1.430 1.00 1.44 O ATOM 907 CB GLU A 58 -12.133 15.447 2.080 1.00 1.44 C ATOM 908 CG GLU A 58 -13.396 14.795 1.516 1.00 2.76 C ATOM 909 CD GLU A 58 -14.332 14.314 2.610 1.00 2.90 C ATOM 910 OE1 GLU A 58 -14.008 13.248 3.179 1.00 2.86 O ATOM 911 OE2 GLU A 58 -15.391 14.948 2.786 1.00 3.85 O ATOM 0 H GLU A 58 -12.636 16.044 -0.277 1.00 1.20 H new ATOM 0 HA GLU A 58 -10.417 16.467 1.384 1.00 1.32 H new ATOM 0 HB2 GLU A 58 -11.738 14.827 2.885 1.00 1.44 H new ATOM 0 HB3 GLU A 58 -12.392 16.411 2.518 1.00 1.44 H new ATOM 0 HG2 GLU A 58 -13.919 15.510 0.881 1.00 2.76 H new ATOM 0 HG3 GLU A 58 -13.116 13.953 0.884 1.00 2.76 H new ATOM 918 N LYS A 59 -10.441 13.435 0.062 1.00 1.22 N ATOM 919 CA LYS A 59 -9.490 12.366 -0.235 1.00 1.24 C ATOM 920 C LYS A 59 -8.278 12.962 -0.961 1.00 1.13 C ATOM 921 O LYS A 59 -7.142 12.708 -0.563 1.00 1.17 O ATOM 922 CB LYS A 59 -10.093 11.219 -1.064 1.00 1.30 C ATOM 923 CG LYS A 59 -10.907 10.154 -0.306 1.00 1.71 C ATOM 924 CD LYS A 59 -12.413 10.446 -0.204 1.00 2.40 C ATOM 925 CE LYS A 59 -12.797 10.973 1.186 1.00 2.56 C ATOM 926 NZ LYS A 59 -14.164 11.531 1.234 1.00 3.41 N ATOM 0 H LYS A 59 -11.356 13.335 -0.378 1.00 1.22 H new ATOM 0 HA LYS A 59 -9.193 11.925 0.717 1.00 1.24 H new ATOM 0 HB2 LYS A 59 -10.737 11.656 -1.827 1.00 1.30 H new ATOM 0 HB3 LYS A 59 -9.279 10.715 -1.585 1.00 1.30 H new ATOM 0 HG2 LYS A 59 -10.770 9.192 -0.801 1.00 1.71 H new ATOM 0 HG3 LYS A 59 -10.501 10.055 0.701 1.00 1.71 H new ATOM 0 HD2 LYS A 59 -12.694 11.178 -0.961 1.00 2.40 H new ATOM 0 HD3 LYS A 59 -12.975 9.537 -0.416 1.00 2.40 H new ATOM 0 HE2 LYS A 59 -12.715 10.163 1.911 1.00 2.56 H new ATOM 0 HE3 LYS A 59 -12.086 11.742 1.486 1.00 2.56 H new ATOM 0 HZ1 LYS A 59 -14.313 12.006 2.147 1.00 3.41 H new ATOM 0 HZ2 LYS A 59 -14.286 12.217 0.462 1.00 3.41 H new ATOM 0 HZ3 LYS A 59 -14.857 10.763 1.127 1.00 3.41 H new ATOM 940 N MET A 60 -8.510 13.765 -2.009 1.00 1.05 N ATOM 941 CA MET A 60 -7.435 14.420 -2.750 1.00 0.98 C ATOM 942 C MET A 60 -6.482 15.122 -1.781 1.00 0.99 C ATOM 943 O MET A 60 -5.277 14.979 -1.911 1.00 0.97 O ATOM 944 CB MET A 60 -7.984 15.406 -3.796 1.00 0.98 C ATOM 945 CG MET A 60 -6.875 15.960 -4.703 1.00 0.93 C ATOM 946 SD MET A 60 -7.296 17.507 -5.537 1.00 2.26 S ATOM 947 CE MET A 60 -5.667 17.951 -6.184 1.00 1.80 C ATOM 0 H MET A 60 -9.444 13.975 -2.361 1.00 1.05 H new ATOM 0 HA MET A 60 -6.882 13.653 -3.293 1.00 0.98 H new ATOM 0 HB2 MET A 60 -8.735 14.905 -4.407 1.00 0.98 H new ATOM 0 HB3 MET A 60 -8.484 16.231 -3.289 1.00 0.98 H new ATOM 0 HG2 MET A 60 -5.977 16.117 -4.105 1.00 0.93 H new ATOM 0 HG3 MET A 60 -6.630 15.211 -5.456 1.00 0.93 H new ATOM 0 HE1 MET A 60 -5.759 18.820 -6.835 1.00 1.80 H new ATOM 0 HE2 MET A 60 -4.999 18.187 -5.356 1.00 1.80 H new ATOM 0 HE3 MET A 60 -5.260 17.114 -6.751 1.00 1.80 H new ATOM 957 N LYS A 61 -7.004 15.859 -0.803 1.00 1.12 N ATOM 958 CA LYS A 61 -6.198 16.561 0.184 1.00 1.26 C ATOM 959 C LYS A 61 -5.375 15.578 1.031 1.00 1.33 C ATOM 960 O LYS A 61 -4.221 15.868 1.337 1.00 1.39 O ATOM 961 CB LYS A 61 -7.103 17.474 1.021 1.00 1.50 C ATOM 962 CG LYS A 61 -7.613 18.642 0.159 1.00 1.67 C ATOM 963 CD LYS A 61 -8.880 19.270 0.756 1.00 2.18 C ATOM 964 CE LYS A 61 -9.360 20.441 -0.113 1.00 2.00 C ATOM 965 NZ LYS A 61 -10.705 20.909 0.279 1.00 3.31 N ATOM 0 H LYS A 61 -8.008 15.985 -0.675 1.00 1.12 H new ATOM 0 HA LYS A 61 -5.467 17.194 -0.319 1.00 1.26 H new ATOM 0 HB2 LYS A 61 -7.946 16.905 1.412 1.00 1.50 H new ATOM 0 HB3 LYS A 61 -6.552 17.858 1.879 1.00 1.50 H new ATOM 0 HG2 LYS A 61 -6.835 19.400 0.075 1.00 1.67 H new ATOM 0 HG3 LYS A 61 -7.822 18.287 -0.850 1.00 1.67 H new ATOM 0 HD2 LYS A 61 -9.666 18.518 0.830 1.00 2.18 H new ATOM 0 HD3 LYS A 61 -8.677 19.620 1.768 1.00 2.18 H new ATOM 0 HE2 LYS A 61 -8.652 21.266 -0.032 1.00 2.00 H new ATOM 0 HE3 LYS A 61 -9.374 20.134 -1.159 1.00 2.00 H new ATOM 0 HZ1 LYS A 61 -10.723 21.949 0.286 1.00 3.31 H new ATOM 0 HZ2 LYS A 61 -11.408 20.555 -0.401 1.00 3.31 H new ATOM 0 HZ3 LYS A 61 -10.933 20.553 1.229 1.00 3.31 H new ATOM 979 N SER A 62 -5.930 14.409 1.380 1.00 1.41 N ATOM 980 CA SER A 62 -5.140 13.347 2.011 1.00 1.62 C ATOM 981 C SER A 62 -3.968 12.945 1.107 1.00 1.47 C ATOM 982 O SER A 62 -2.853 12.709 1.577 1.00 1.64 O ATOM 983 CB SER A 62 -5.999 12.119 2.359 1.00 1.91 C ATOM 984 OG SER A 62 -5.299 11.317 3.296 1.00 2.91 O ATOM 0 H SER A 62 -6.913 14.178 1.237 1.00 1.41 H new ATOM 0 HA SER A 62 -4.747 13.743 2.947 1.00 1.62 H new ATOM 0 HB2 SER A 62 -6.956 12.434 2.774 1.00 1.91 H new ATOM 0 HB3 SER A 62 -6.216 11.544 1.459 1.00 1.91 H new ATOM 0 HG SER A 62 -5.627 10.395 3.247 1.00 2.91 H new ATOM 990 N LEU A 63 -4.209 12.859 -0.204 1.00 1.30 N ATOM 991 CA LEU A 63 -3.163 12.528 -1.159 1.00 1.39 C ATOM 992 C LEU A 63 -2.210 13.716 -1.366 1.00 1.27 C ATOM 993 O LEU A 63 -1.102 13.743 -0.824 1.00 1.23 O ATOM 994 CB LEU A 63 -3.769 12.054 -2.488 1.00 1.49 C ATOM 995 CG LEU A 63 -4.787 10.910 -2.401 1.00 1.73 C ATOM 996 CD1 LEU A 63 -5.292 10.601 -3.814 1.00 2.59 C ATOM 997 CD2 LEU A 63 -4.176 9.644 -1.816 1.00 1.25 C ATOM 0 H LEU A 63 -5.125 13.016 -0.624 1.00 1.30 H new ATOM 0 HA LEU A 63 -2.576 11.705 -0.751 1.00 1.39 H new ATOM 0 HB2 LEU A 63 -4.252 12.906 -2.967 1.00 1.49 H new ATOM 0 HB3 LEU A 63 -2.956 11.739 -3.142 1.00 1.49 H new ATOM 0 HG LEU A 63 -5.598 11.227 -1.745 1.00 1.73 H new ATOM 0 HD11 LEU A 63 -6.018 9.789 -3.772 1.00 2.59 H new ATOM 0 HD12 LEU A 63 -5.765 11.489 -4.234 1.00 2.59 H new ATOM 0 HD13 LEU A 63 -4.453 10.305 -4.444 1.00 2.59 H new ATOM 0 HD21 LEU A 63 -4.933 8.861 -1.773 1.00 1.25 H new ATOM 0 HD22 LEU A 63 -3.349 9.315 -2.445 1.00 1.25 H new ATOM 0 HD23 LEU A 63 -3.808 9.848 -0.810 1.00 1.25 H new ATOM 1009 N ASP A 64 -2.638 14.691 -2.170 1.00 1.35 N ATOM 1010 CA ASP A 64 -1.883 15.847 -2.611 1.00 1.40 C ATOM 1011 C ASP A 64 -1.823 16.889 -1.495 1.00 1.81 C ATOM 1012 O ASP A 64 -2.382 17.983 -1.605 1.00 2.14 O ATOM 1013 CB ASP A 64 -2.525 16.421 -3.887 1.00 1.50 C ATOM 1014 CG ASP A 64 -1.692 17.546 -4.477 1.00 1.58 C ATOM 1015 OD1 ASP A 64 -0.477 17.558 -4.179 1.00 1.57 O ATOM 1016 OD2 ASP A 64 -2.220 18.343 -5.277 1.00 2.12 O ATOM 0 H ASP A 64 -3.584 14.686 -2.551 1.00 1.35 H new ATOM 0 HA ASP A 64 -0.860 15.554 -2.845 1.00 1.40 H new ATOM 0 HB2 ASP A 64 -2.640 15.627 -4.625 1.00 1.50 H new ATOM 0 HB3 ASP A 64 -3.525 16.790 -3.657 1.00 1.50 H new ATOM 1021 N VAL A 65 -1.112 16.557 -0.418 1.00 1.93 N ATOM 1022 CA VAL A 65 -0.953 17.426 0.746 1.00 2.43 C ATOM 1023 C VAL A 65 -0.353 18.798 0.404 1.00 2.41 C ATOM 1024 O VAL A 65 -0.516 19.737 1.181 1.00 2.63 O ATOM 1025 CB VAL A 65 -0.149 16.722 1.853 1.00 2.71 C ATOM 1026 CG1 VAL A 65 -0.984 15.597 2.470 1.00 3.15 C ATOM 1027 CG2 VAL A 65 1.198 16.176 1.358 1.00 2.44 C ATOM 0 H VAL A 65 -0.624 15.666 -0.329 1.00 1.93 H new ATOM 0 HA VAL A 65 -1.957 17.625 1.120 1.00 2.43 H new ATOM 0 HB VAL A 65 0.077 17.472 2.610 1.00 2.71 H new ATOM 0 HG11 VAL A 65 -0.408 15.104 3.253 1.00 3.15 H new ATOM 0 HG12 VAL A 65 -1.896 16.013 2.898 1.00 3.15 H new ATOM 0 HG13 VAL A 65 -1.244 14.872 1.699 1.00 3.15 H new ATOM 0 HG21 VAL A 65 1.719 15.691 2.183 1.00 2.44 H new ATOM 0 HG22 VAL A 65 1.027 15.452 0.561 1.00 2.44 H new ATOM 0 HG23 VAL A 65 1.806 16.997 0.978 1.00 2.44 H new ATOM 1037 N ASN A 66 0.313 18.924 -0.748 1.00 2.22 N ATOM 1038 CA ASN A 66 0.889 20.174 -1.251 1.00 2.27 C ATOM 1039 C ASN A 66 -0.059 20.949 -2.176 1.00 2.28 C ATOM 1040 O ASN A 66 0.248 22.093 -2.497 1.00 2.44 O ATOM 1041 CB ASN A 66 2.258 19.934 -1.925 1.00 2.07 C ATOM 1042 CG ASN A 66 2.337 18.618 -2.693 1.00 1.80 C ATOM 1043 OD1 ASN A 66 2.140 18.541 -3.907 1.00 1.84 O ATOM 1044 ND2 ASN A 66 2.598 17.534 -1.972 1.00 2.82 N ATOM 0 H ASN A 66 0.471 18.135 -1.375 1.00 2.22 H new ATOM 0 HA ASN A 66 1.045 20.806 -0.377 1.00 2.27 H new ATOM 0 HB2 ASN A 66 2.467 20.757 -2.608 1.00 2.07 H new ATOM 0 HB3 ASN A 66 3.037 19.948 -1.162 1.00 2.07 H new ATOM 0 HD21 ASN A 66 2.638 16.620 -2.422 1.00 2.82 H new ATOM 0 HD22 ASN A 66 2.759 17.616 -0.968 1.00 2.82 H new ATOM 1051 N GLN A 67 -1.192 20.371 -2.599 1.00 2.21 N ATOM 1052 CA GLN A 67 -2.131 20.996 -3.532 1.00 2.28 C ATOM 1053 C GLN A 67 -1.411 21.562 -4.766 1.00 2.08 C ATOM 1054 O GLN A 67 -1.547 22.743 -5.078 1.00 2.19 O ATOM 1055 CB GLN A 67 -3.005 22.066 -2.849 1.00 2.70 C ATOM 1056 CG GLN A 67 -3.975 21.514 -1.796 1.00 2.34 C ATOM 1057 CD GLN A 67 -3.330 21.402 -0.423 1.00 2.05 C ATOM 1058 OE1 GLN A 67 -3.191 22.393 0.284 1.00 2.45 O ATOM 1059 NE2 GLN A 67 -2.939 20.201 -0.023 1.00 3.28 N ATOM 0 H GLN A 67 -1.483 19.442 -2.296 1.00 2.21 H new ATOM 0 HA GLN A 67 -2.803 20.209 -3.875 1.00 2.28 H new ATOM 0 HB2 GLN A 67 -2.354 22.801 -2.376 1.00 2.70 H new ATOM 0 HB3 GLN A 67 -3.578 22.592 -3.613 1.00 2.70 H new ATOM 0 HG2 GLN A 67 -4.848 22.163 -1.733 1.00 2.34 H new ATOM 0 HG3 GLN A 67 -4.329 20.532 -2.110 1.00 2.34 H new ATOM 0 HE21 GLN A 67 -3.067 19.394 -0.633 1.00 3.28 H new ATOM 0 HE22 GLN A 67 -2.510 20.084 0.895 1.00 3.28 H new ATOM 1068 N ASP A 68 -0.667 20.713 -5.482 1.00 1.87 N ATOM 1069 CA ASP A 68 -0.089 21.060 -6.783 1.00 1.77 C ATOM 1070 C ASP A 68 -1.007 20.579 -7.919 1.00 1.82 C ATOM 1071 O ASP A 68 -0.757 20.913 -9.076 1.00 2.25 O ATOM 1072 CB ASP A 68 1.351 20.516 -6.931 1.00 1.60 C ATOM 1073 CG ASP A 68 1.402 19.005 -6.915 1.00 1.56 C ATOM 1074 OD1 ASP A 68 0.336 18.384 -6.774 1.00 1.51 O ATOM 1075 OD2 ASP A 68 2.470 18.357 -6.810 1.00 1.67 O ATOM 0 H ASP A 68 -0.449 19.765 -5.175 1.00 1.87 H new ATOM 0 HA ASP A 68 -0.016 22.146 -6.847 1.00 1.77 H new ATOM 0 HB2 ASP A 68 1.780 20.881 -7.864 1.00 1.60 H new ATOM 0 HB3 ASP A 68 1.969 20.906 -6.122 1.00 1.60 H new ATOM 1080 N SER A 69 -2.036 19.775 -7.616 1.00 1.68 N ATOM 1081 CA SER A 69 -2.908 19.140 -8.598 1.00 1.70 C ATOM 1082 C SER A 69 -2.144 18.153 -9.488 1.00 1.53 C ATOM 1083 O SER A 69 -2.626 17.784 -10.562 1.00 1.63 O ATOM 1084 CB SER A 69 -3.694 20.183 -9.405 1.00 1.86 C ATOM 1085 OG SER A 69 -4.460 20.987 -8.524 1.00 1.99 O ATOM 0 H SER A 69 -2.286 19.546 -6.654 1.00 1.68 H new ATOM 0 HA SER A 69 -3.643 18.548 -8.053 1.00 1.70 H new ATOM 0 HB2 SER A 69 -3.008 20.806 -9.979 1.00 1.86 H new ATOM 0 HB3 SER A 69 -4.348 19.686 -10.121 1.00 1.86 H new ATOM 0 HG SER A 69 -4.960 21.653 -9.040 1.00 1.99 H new ATOM 1091 N GLU A 70 -0.986 17.691 -9.014 1.00 1.36 N ATOM 1092 CA GLU A 70 -0.176 16.637 -9.588 1.00 1.25 C ATOM 1093 C GLU A 70 -0.012 15.603 -8.477 1.00 1.19 C ATOM 1094 O GLU A 70 0.662 15.857 -7.474 1.00 1.20 O ATOM 1095 CB GLU A 70 1.201 17.188 -10.001 1.00 1.27 C ATOM 1096 CG GLU A 70 1.578 16.981 -11.479 1.00 1.52 C ATOM 1097 CD GLU A 70 2.921 16.273 -11.632 1.00 2.23 C ATOM 1098 OE1 GLU A 70 3.842 16.635 -10.863 1.00 2.88 O ATOM 1099 OE2 GLU A 70 2.998 15.351 -12.469 1.00 3.25 O ATOM 0 H GLU A 70 -0.570 18.073 -8.165 1.00 1.36 H new ATOM 0 HA GLU A 70 -0.637 16.212 -10.479 1.00 1.25 H new ATOM 0 HB2 GLU A 70 1.227 18.256 -9.783 1.00 1.27 H new ATOM 0 HB3 GLU A 70 1.963 16.717 -9.380 1.00 1.27 H new ATOM 0 HG2 GLU A 70 0.802 16.397 -11.973 1.00 1.52 H new ATOM 0 HG3 GLU A 70 1.618 17.947 -11.982 1.00 1.52 H new ATOM 1106 N LEU A 71 -0.617 14.436 -8.642 1.00 1.19 N ATOM 1107 CA LEU A 71 -0.442 13.325 -7.731 1.00 1.14 C ATOM 1108 C LEU A 71 0.823 12.600 -8.188 1.00 1.00 C ATOM 1109 O LEU A 71 0.757 11.764 -9.092 1.00 1.05 O ATOM 1110 CB LEU A 71 -1.675 12.418 -7.795 1.00 1.27 C ATOM 1111 CG LEU A 71 -2.946 12.927 -7.096 1.00 1.38 C ATOM 1112 CD1 LEU A 71 -2.818 12.788 -5.579 1.00 1.40 C ATOM 1113 CD2 LEU A 71 -3.350 14.359 -7.466 1.00 1.43 C ATOM 0 H LEU A 71 -1.247 14.236 -9.419 1.00 1.19 H new ATOM 0 HA LEU A 71 -0.337 13.644 -6.694 1.00 1.14 H new ATOM 0 HB2 LEU A 71 -1.912 12.240 -8.844 1.00 1.27 H new ATOM 0 HB3 LEU A 71 -1.411 11.454 -7.360 1.00 1.27 H new ATOM 0 HG LEU A 71 -3.750 12.290 -7.464 1.00 1.38 H new ATOM 0 HD11 LEU A 71 -3.727 13.154 -5.102 1.00 1.40 H new ATOM 0 HD12 LEU A 71 -2.669 11.739 -5.321 1.00 1.40 H new ATOM 0 HD13 LEU A 71 -1.966 13.372 -5.231 1.00 1.40 H new ATOM 0 HD21 LEU A 71 -4.256 14.632 -6.926 1.00 1.43 H new ATOM 0 HD22 LEU A 71 -2.547 15.045 -7.197 1.00 1.43 H new ATOM 0 HD23 LEU A 71 -3.535 14.419 -8.539 1.00 1.43 H new ATOM 1125 N LYS A 72 1.973 12.953 -7.596 1.00 0.92 N ATOM 1126 CA LYS A 72 3.247 12.270 -7.830 1.00 0.90 C ATOM 1127 C LYS A 72 3.079 10.774 -7.538 1.00 0.86 C ATOM 1128 O LYS A 72 2.217 10.411 -6.753 1.00 0.93 O ATOM 1129 CB LYS A 72 4.342 12.879 -6.931 1.00 1.08 C ATOM 1130 CG LYS A 72 5.490 13.543 -7.702 1.00 1.48 C ATOM 1131 CD LYS A 72 5.097 14.797 -8.507 1.00 2.26 C ATOM 1132 CE LYS A 72 4.405 15.867 -7.646 1.00 3.46 C ATOM 1133 NZ LYS A 72 4.313 17.175 -8.332 1.00 4.23 N ATOM 0 H LYS A 72 2.042 13.728 -6.936 1.00 0.92 H new ATOM 0 HA LYS A 72 3.547 12.397 -8.870 1.00 0.90 H new ATOM 0 HB2 LYS A 72 3.886 13.618 -6.272 1.00 1.08 H new ATOM 0 HB3 LYS A 72 4.752 12.095 -6.295 1.00 1.08 H new ATOM 0 HG2 LYS A 72 6.273 13.815 -6.994 1.00 1.48 H new ATOM 0 HG3 LYS A 72 5.919 12.811 -8.386 1.00 1.48 H new ATOM 0 HD2 LYS A 72 5.990 15.225 -8.962 1.00 2.26 H new ATOM 0 HD3 LYS A 72 4.433 14.507 -9.321 1.00 2.26 H new ATOM 0 HE2 LYS A 72 3.403 15.526 -7.385 1.00 3.46 H new ATOM 0 HE3 LYS A 72 4.954 15.988 -6.712 1.00 3.46 H new ATOM 0 HZ1 LYS A 72 3.570 17.749 -7.886 1.00 4.23 H new ATOM 0 HZ2 LYS A 72 5.224 17.670 -8.258 1.00 4.23 H new ATOM 0 HZ3 LYS A 72 4.080 17.026 -9.335 1.00 4.23 H new ATOM 1147 N PHE A 73 3.904 9.900 -8.125 1.00 0.91 N ATOM 1148 CA PHE A 73 3.719 8.448 -8.036 1.00 0.98 C ATOM 1149 C PHE A 73 3.422 7.968 -6.603 1.00 0.90 C ATOM 1150 O PHE A 73 2.400 7.334 -6.350 1.00 1.03 O ATOM 1151 CB PHE A 73 4.931 7.727 -8.649 1.00 1.07 C ATOM 1152 CG PHE A 73 4.689 6.262 -8.959 1.00 1.67 C ATOM 1153 CD1 PHE A 73 4.694 5.304 -7.927 1.00 2.85 C ATOM 1154 CD2 PHE A 73 4.431 5.857 -10.284 1.00 3.23 C ATOM 1155 CE1 PHE A 73 4.432 3.955 -8.218 1.00 4.44 C ATOM 1156 CE2 PHE A 73 4.216 4.500 -10.577 1.00 4.58 C ATOM 1157 CZ PHE A 73 4.231 3.547 -9.546 1.00 4.98 C ATOM 0 H PHE A 73 4.717 10.179 -8.674 1.00 0.91 H new ATOM 0 HA PHE A 73 2.832 8.190 -8.615 1.00 0.98 H new ATOM 0 HB2 PHE A 73 5.218 8.239 -9.567 1.00 1.07 H new ATOM 0 HB3 PHE A 73 5.774 7.808 -7.962 1.00 1.07 H new ATOM 0 HD1 PHE A 73 4.899 5.607 -6.911 1.00 2.85 H new ATOM 0 HD2 PHE A 73 4.399 6.591 -11.075 1.00 3.23 H new ATOM 0 HE1 PHE A 73 4.385 3.230 -7.419 1.00 4.44 H new ATOM 0 HE2 PHE A 73 4.039 4.190 -11.596 1.00 4.58 H new ATOM 0 HZ PHE A 73 4.088 2.501 -9.774 1.00 4.98 H new ATOM 1167 N ASN A 74 4.297 8.295 -5.645 1.00 0.77 N ATOM 1168 CA ASN A 74 4.089 7.956 -4.233 1.00 0.83 C ATOM 1169 C ASN A 74 2.802 8.589 -3.687 1.00 1.05 C ATOM 1170 O ASN A 74 2.048 7.985 -2.924 1.00 1.38 O ATOM 1171 CB ASN A 74 5.283 8.434 -3.399 1.00 0.88 C ATOM 1172 CG ASN A 74 5.068 8.118 -1.921 1.00 1.17 C ATOM 1173 OD1 ASN A 74 5.332 7.006 -1.479 1.00 1.77 O ATOM 1174 ND2 ASN A 74 4.602 9.089 -1.141 1.00 1.74 N ATOM 0 H ASN A 74 5.165 8.800 -5.826 1.00 0.77 H new ATOM 0 HA ASN A 74 3.996 6.872 -4.162 1.00 0.83 H new ATOM 0 HB2 ASN A 74 6.195 7.952 -3.750 1.00 0.88 H new ATOM 0 HB3 ASN A 74 5.419 9.507 -3.531 1.00 0.88 H new ATOM 0 HD21 ASN A 74 4.455 8.918 -0.146 1.00 1.74 H new ATOM 0 HD22 ASN A 74 4.391 10.005 -1.538 1.00 1.74 H new ATOM 1181 N GLU A 75 2.590 9.848 -4.064 1.00 0.91 N ATOM 1182 CA GLU A 75 1.489 10.693 -3.638 1.00 1.06 C ATOM 1183 C GLU A 75 0.154 10.058 -4.038 1.00 1.17 C ATOM 1184 O GLU A 75 -0.795 10.043 -3.262 1.00 1.49 O ATOM 1185 CB GLU A 75 1.682 12.059 -4.310 1.00 1.13 C ATOM 1186 CG GLU A 75 1.337 13.245 -3.417 1.00 1.79 C ATOM 1187 CD GLU A 75 1.638 14.541 -4.141 1.00 1.40 C ATOM 1188 OE1 GLU A 75 1.720 14.591 -5.385 1.00 2.04 O ATOM 1189 OE2 GLU A 75 1.721 15.611 -3.518 1.00 1.96 O ATOM 0 H GLU A 75 3.218 10.327 -4.709 1.00 0.91 H new ATOM 0 HA GLU A 75 1.475 10.809 -2.554 1.00 1.06 H new ATOM 0 HB2 GLU A 75 2.719 12.150 -4.633 1.00 1.13 H new ATOM 0 HB3 GLU A 75 1.064 12.101 -5.207 1.00 1.13 H new ATOM 0 HG2 GLU A 75 0.283 13.209 -3.141 1.00 1.79 H new ATOM 0 HG3 GLU A 75 1.911 13.194 -2.492 1.00 1.79 H new ATOM 1196 N TYR A 76 0.102 9.526 -5.259 1.00 1.02 N ATOM 1197 CA TYR A 76 -0.997 8.739 -5.774 1.00 1.08 C ATOM 1198 C TYR A 76 -1.087 7.422 -5.009 1.00 1.07 C ATOM 1199 O TYR A 76 -2.164 7.090 -4.512 1.00 1.08 O ATOM 1200 CB TYR A 76 -0.789 8.497 -7.274 1.00 1.08 C ATOM 1201 CG TYR A 76 -1.719 7.443 -7.819 1.00 1.23 C ATOM 1202 CD1 TYR A 76 -3.090 7.728 -7.951 1.00 2.12 C ATOM 1203 CD2 TYR A 76 -1.270 6.114 -7.891 1.00 2.23 C ATOM 1204 CE1 TYR A 76 -3.998 6.694 -8.235 1.00 2.39 C ATOM 1205 CE2 TYR A 76 -2.198 5.076 -8.031 1.00 2.51 C ATOM 1206 CZ TYR A 76 -3.551 5.363 -8.259 1.00 2.05 C ATOM 1207 OH TYR A 76 -4.435 4.346 -8.438 1.00 2.67 O ATOM 0 H TYR A 76 0.857 9.641 -5.935 1.00 1.02 H new ATOM 0 HA TYR A 76 -1.937 9.275 -5.638 1.00 1.08 H new ATOM 0 HB2 TYR A 76 -0.945 9.430 -7.815 1.00 1.08 H new ATOM 0 HB3 TYR A 76 0.243 8.194 -7.451 1.00 1.08 H new ATOM 0 HD1 TYR A 76 -3.445 8.741 -7.834 1.00 2.12 H new ATOM 0 HD2 TYR A 76 -0.214 5.894 -7.839 1.00 2.23 H new ATOM 0 HE1 TYR A 76 -5.035 6.922 -8.434 1.00 2.39 H new ATOM 0 HE2 TYR A 76 -1.870 4.049 -7.963 1.00 2.51 H new ATOM 0 HH TYR A 76 -3.955 3.542 -8.727 1.00 2.67 H new ATOM 1217 N TRP A 77 0.033 6.683 -4.926 1.00 1.08 N ATOM 1218 CA TRP A 77 0.086 5.404 -4.224 1.00 1.07 C ATOM 1219 C TRP A 77 -0.669 5.509 -2.896 1.00 1.08 C ATOM 1220 O TRP A 77 -1.374 4.573 -2.527 1.00 1.07 O ATOM 1221 CB TRP A 77 1.524 4.878 -3.996 1.00 1.04 C ATOM 1222 CG TRP A 77 1.564 3.960 -2.810 1.00 0.98 C ATOM 1223 CD1 TRP A 77 1.584 4.420 -1.540 1.00 1.54 C ATOM 1224 CD2 TRP A 77 1.177 2.555 -2.705 1.00 2.20 C ATOM 1225 NE1 TRP A 77 0.933 3.507 -0.743 1.00 1.87 N ATOM 1226 CE2 TRP A 77 0.707 2.319 -1.387 1.00 2.13 C ATOM 1227 CE3 TRP A 77 1.167 1.450 -3.574 1.00 3.85 C ATOM 1228 CZ2 TRP A 77 0.185 1.085 -0.978 1.00 3.23 C ATOM 1229 CZ3 TRP A 77 0.901 0.157 -3.066 1.00 4.76 C ATOM 1230 CH2 TRP A 77 0.250 -0.001 -1.842 1.00 4.51 C ATOM 0 H TRP A 77 0.921 6.961 -5.345 1.00 1.08 H new ATOM 0 HA TRP A 77 -0.398 4.672 -4.870 1.00 1.07 H new ATOM 0 HB2 TRP A 77 1.870 4.350 -4.884 1.00 1.04 H new ATOM 0 HB3 TRP A 77 2.204 5.716 -3.839 1.00 1.04 H new ATOM 0 HD1 TRP A 77 2.033 5.344 -1.208 1.00 1.54 H new ATOM 0 HE1 TRP A 77 0.650 3.694 0.219 1.00 1.87 H new ATOM 0 HE3 TRP A 77 1.362 1.588 -4.627 1.00 3.85 H new ATOM 0 HZ2 TRP A 77 -0.263 0.979 -0.001 1.00 3.23 H new ATOM 0 HZ3 TRP A 77 1.204 -0.713 -3.629 1.00 4.76 H new ATOM 0 HH2 TRP A 77 -0.194 -0.948 -1.572 1.00 4.51 H new ATOM 1241 N ARG A 78 -0.473 6.620 -2.168 1.00 1.10 N ATOM 1242 CA ARG A 78 -1.018 6.834 -0.827 1.00 1.07 C ATOM 1243 C ARG A 78 -2.417 6.240 -0.692 1.00 0.86 C ATOM 1244 O ARG A 78 -2.644 5.475 0.243 1.00 0.88 O ATOM 1245 CB ARG A 78 -1.132 8.327 -0.497 1.00 1.23 C ATOM 1246 CG ARG A 78 0.166 9.035 -0.101 1.00 1.97 C ATOM 1247 CD ARG A 78 -0.178 10.507 0.168 1.00 2.46 C ATOM 1248 NE ARG A 78 0.941 11.229 0.792 1.00 3.02 N ATOM 1249 CZ ARG A 78 0.848 12.084 1.828 1.00 3.33 C ATOM 1250 NH1 ARG A 78 -0.334 12.443 2.338 1.00 3.32 N ATOM 1251 NH2 ARG A 78 1.966 12.577 2.373 1.00 4.48 N ATOM 0 H ARG A 78 0.080 7.407 -2.506 1.00 1.10 H new ATOM 0 HA ARG A 78 -0.326 6.344 -0.142 1.00 1.07 H new ATOM 0 HB2 ARG A 78 -1.550 8.838 -1.364 1.00 1.23 H new ATOM 0 HB3 ARG A 78 -1.848 8.444 0.317 1.00 1.23 H new ATOM 0 HG2 ARG A 78 0.600 8.574 0.786 1.00 1.97 H new ATOM 0 HG3 ARG A 78 0.906 8.953 -0.897 1.00 1.97 H new ATOM 0 HD2 ARG A 78 -0.446 10.994 -0.770 1.00 2.46 H new ATOM 0 HD3 ARG A 78 -1.052 10.562 0.817 1.00 2.46 H new ATOM 0 HE ARG A 78 1.871 11.068 0.405 1.00 3.02 H new ATOM 0 HH11 ARG A 78 -1.196 12.067 1.942 1.00 3.32 H new ATOM 0 HH12 ARG A 78 -0.374 13.093 3.123 1.00 3.32 H new ATOM 0 HH21 ARG A 78 2.877 12.304 2.003 1.00 4.48 H new ATOM 0 HH22 ARG A 78 1.908 13.225 3.158 1.00 4.48 H new ATOM 1265 N LEU A 79 -3.325 6.551 -1.628 1.00 0.74 N ATOM 1266 CA LEU A 79 -4.696 6.063 -1.614 1.00 0.64 C ATOM 1267 C LEU A 79 -4.740 4.572 -1.306 1.00 0.64 C ATOM 1268 O LEU A 79 -5.488 4.141 -0.442 1.00 0.68 O ATOM 1269 CB LEU A 79 -5.365 6.317 -2.976 1.00 0.64 C ATOM 1270 CG LEU A 79 -6.885 6.080 -2.934 1.00 0.64 C ATOM 1271 CD1 LEU A 79 -7.606 7.283 -2.310 1.00 0.68 C ATOM 1272 CD2 LEU A 79 -7.387 5.817 -4.358 1.00 0.73 C ATOM 0 H LEU A 79 -3.117 7.156 -2.422 1.00 0.74 H new ATOM 0 HA LEU A 79 -5.234 6.602 -0.834 1.00 0.64 H new ATOM 0 HB2 LEU A 79 -5.168 7.342 -3.289 1.00 0.64 H new ATOM 0 HB3 LEU A 79 -4.918 5.663 -3.725 1.00 0.64 H new ATOM 0 HG LEU A 79 -7.101 5.212 -2.311 1.00 0.64 H new ATOM 0 HD11 LEU A 79 -8.679 7.094 -2.290 1.00 0.68 H new ATOM 0 HD12 LEU A 79 -7.246 7.435 -1.293 1.00 0.68 H new ATOM 0 HD13 LEU A 79 -7.406 8.175 -2.903 1.00 0.68 H new ATOM 0 HD21 LEU A 79 -8.464 5.648 -4.339 1.00 0.73 H new ATOM 0 HD22 LEU A 79 -7.166 6.680 -4.987 1.00 0.73 H new ATOM 0 HD23 LEU A 79 -6.888 4.936 -4.763 1.00 0.73 H new ATOM 1284 N ILE A 80 -3.922 3.792 -2.008 1.00 0.70 N ATOM 1285 CA ILE A 80 -3.905 2.335 -1.951 1.00 0.75 C ATOM 1286 C ILE A 80 -3.379 1.896 -0.588 1.00 0.82 C ATOM 1287 O ILE A 80 -3.843 0.914 -0.006 1.00 0.83 O ATOM 1288 CB ILE A 80 -3.116 1.765 -3.147 1.00 0.95 C ATOM 1289 CG1 ILE A 80 -3.798 2.191 -4.463 1.00 1.17 C ATOM 1290 CG2 ILE A 80 -3.076 0.233 -3.115 1.00 1.06 C ATOM 1291 CD1 ILE A 80 -3.110 3.382 -5.129 1.00 1.87 C ATOM 0 H ILE A 80 -3.230 4.171 -2.654 1.00 0.70 H new ATOM 0 HA ILE A 80 -4.912 1.928 -2.045 1.00 0.75 H new ATOM 0 HB ILE A 80 -2.099 2.153 -3.085 1.00 0.95 H new ATOM 0 HG12 ILE A 80 -3.803 1.348 -5.154 1.00 1.17 H new ATOM 0 HG13 ILE A 80 -4.839 2.445 -4.262 1.00 1.17 H new ATOM 0 HG21 ILE A 80 -2.512 -0.134 -3.972 1.00 1.06 H new ATOM 0 HG22 ILE A 80 -2.595 -0.099 -2.195 1.00 1.06 H new ATOM 0 HG23 ILE A 80 -4.093 -0.158 -3.155 1.00 1.06 H new ATOM 0 HD11 ILE A 80 -3.634 3.636 -6.050 1.00 1.87 H new ATOM 0 HD12 ILE A 80 -3.128 4.237 -4.453 1.00 1.87 H new ATOM 0 HD13 ILE A 80 -2.076 3.123 -5.359 1.00 1.87 H new ATOM 1303 N GLY A 81 -2.445 2.672 -0.043 1.00 1.00 N ATOM 1304 CA GLY A 81 -1.973 2.457 1.303 1.00 1.17 C ATOM 1305 C GLY A 81 -3.092 2.663 2.303 1.00 1.17 C ATOM 1306 O GLY A 81 -3.275 1.867 3.224 1.00 1.31 O ATOM 0 H GLY A 81 -2.005 3.456 -0.524 1.00 1.00 H new ATOM 0 HA2 GLY A 81 -1.576 1.446 1.397 1.00 1.17 H new ATOM 0 HA3 GLY A 81 -1.154 3.143 1.520 1.00 1.17 H new ATOM 1310 N GLU A 82 -3.858 3.727 2.096 1.00 1.06 N ATOM 1311 CA GLU A 82 -5.042 3.977 2.885 1.00 1.07 C ATOM 1312 C GLU A 82 -6.022 2.813 2.727 1.00 1.09 C ATOM 1313 O GLU A 82 -6.460 2.273 3.730 1.00 1.28 O ATOM 1314 CB GLU A 82 -5.649 5.347 2.566 1.00 0.92 C ATOM 1315 CG GLU A 82 -4.592 6.459 2.599 1.00 1.03 C ATOM 1316 CD GLU A 82 -4.984 7.600 3.525 1.00 1.53 C ATOM 1317 OE1 GLU A 82 -4.857 7.355 4.747 1.00 1.60 O ATOM 1318 OE2 GLU A 82 -5.384 8.670 3.018 1.00 3.02 O ATOM 0 H GLU A 82 -3.672 4.431 1.381 1.00 1.06 H new ATOM 0 HA GLU A 82 -4.775 4.026 3.941 1.00 1.07 H new ATOM 0 HB2 GLU A 82 -6.115 5.318 1.581 1.00 0.92 H new ATOM 0 HB3 GLU A 82 -6.436 5.572 3.285 1.00 0.92 H new ATOM 0 HG2 GLU A 82 -3.639 6.042 2.923 1.00 1.03 H new ATOM 0 HG3 GLU A 82 -4.444 6.846 1.591 1.00 1.03 H new ATOM 1325 N LEU A 83 -6.334 2.369 1.506 1.00 0.94 N ATOM 1326 CA LEU A 83 -7.269 1.270 1.262 1.00 0.92 C ATOM 1327 C LEU A 83 -6.963 0.039 2.123 1.00 0.92 C ATOM 1328 O LEU A 83 -7.861 -0.523 2.755 1.00 0.95 O ATOM 1329 CB LEU A 83 -7.248 0.842 -0.208 1.00 1.07 C ATOM 1330 CG LEU A 83 -7.664 1.889 -1.252 1.00 0.97 C ATOM 1331 CD1 LEU A 83 -7.844 1.187 -2.605 1.00 1.38 C ATOM 1332 CD2 LEU A 83 -8.842 2.764 -0.811 1.00 2.47 C ATOM 0 H LEU A 83 -5.941 2.766 0.653 1.00 0.94 H new ATOM 0 HA LEU A 83 -8.254 1.653 1.530 1.00 0.92 H new ATOM 0 HB2 LEU A 83 -6.238 0.509 -0.448 1.00 1.07 H new ATOM 0 HB3 LEU A 83 -7.903 -0.022 -0.317 1.00 1.07 H new ATOM 0 HG LEU A 83 -6.867 2.624 -1.363 1.00 0.97 H new ATOM 0 HD11 LEU A 83 -8.140 1.918 -3.358 1.00 1.38 H new ATOM 0 HD12 LEU A 83 -6.904 0.721 -2.901 1.00 1.38 H new ATOM 0 HD13 LEU A 83 -8.616 0.423 -2.518 1.00 1.38 H new ATOM 0 HD21 LEU A 83 -9.079 3.479 -1.599 1.00 2.47 H new ATOM 0 HD22 LEU A 83 -9.711 2.135 -0.619 1.00 2.47 H new ATOM 0 HD23 LEU A 83 -8.575 3.302 0.099 1.00 2.47 H new ATOM 1344 N ALA A 84 -5.691 -0.374 2.144 1.00 0.90 N ATOM 1345 CA ALA A 84 -5.222 -1.498 2.955 1.00 0.97 C ATOM 1346 C ALA A 84 -5.567 -1.325 4.443 1.00 1.01 C ATOM 1347 O ALA A 84 -5.681 -2.302 5.180 1.00 1.22 O ATOM 1348 CB ALA A 84 -3.713 -1.667 2.761 1.00 0.99 C ATOM 0 H ALA A 84 -4.954 0.067 1.594 1.00 0.90 H new ATOM 0 HA ALA A 84 -5.737 -2.398 2.620 1.00 0.97 H new ATOM 0 HB1 ALA A 84 -3.360 -2.504 3.364 1.00 0.99 H new ATOM 0 HB2 ALA A 84 -3.501 -1.862 1.710 1.00 0.99 H new ATOM 0 HB3 ALA A 84 -3.202 -0.755 3.071 1.00 0.99 H new ATOM 1354 N LYS A 85 -5.718 -0.076 4.885 1.00 0.91 N ATOM 1355 CA LYS A 85 -6.268 0.321 6.170 1.00 0.95 C ATOM 1356 C LYS A 85 -7.809 0.297 6.110 1.00 0.92 C ATOM 1357 O LYS A 85 -8.416 -0.424 6.900 1.00 0.95 O ATOM 1358 CB LYS A 85 -5.593 1.653 6.570 1.00 1.11 C ATOM 1359 CG LYS A 85 -6.426 2.759 7.240 1.00 1.37 C ATOM 1360 CD LYS A 85 -5.978 4.156 6.769 1.00 2.35 C ATOM 1361 CE LYS A 85 -4.468 4.381 6.928 1.00 1.56 C ATOM 1362 NZ LYS A 85 -4.031 5.734 6.530 1.00 1.68 N ATOM 0 H LYS A 85 -5.442 0.727 4.320 1.00 0.91 H new ATOM 0 HA LYS A 85 -6.044 -0.376 6.978 1.00 0.95 H new ATOM 0 HB2 LYS A 85 -4.771 1.412 7.243 1.00 1.11 H new ATOM 0 HB3 LYS A 85 -5.152 2.078 5.668 1.00 1.11 H new ATOM 0 HG2 LYS A 85 -7.481 2.615 7.007 1.00 1.37 H new ATOM 0 HG3 LYS A 85 -6.326 2.688 8.323 1.00 1.37 H new ATOM 0 HD2 LYS A 85 -6.252 4.287 5.722 1.00 2.35 H new ATOM 0 HD3 LYS A 85 -6.516 4.916 7.336 1.00 2.35 H new ATOM 0 HE2 LYS A 85 -4.190 4.209 7.968 1.00 1.56 H new ATOM 0 HE3 LYS A 85 -3.933 3.644 6.329 1.00 1.56 H new ATOM 0 HZ1 LYS A 85 -2.993 5.763 6.482 1.00 1.68 H new ATOM 0 HZ2 LYS A 85 -4.427 5.966 5.597 1.00 1.68 H new ATOM 0 HZ3 LYS A 85 -4.365 6.427 7.230 1.00 1.68 H new ATOM 1376 N GLU A 86 -8.451 1.052 5.205 1.00 0.94 N ATOM 1377 CA GLU A 86 -9.904 1.248 5.130 1.00 0.97 C ATOM 1378 C GLU A 86 -10.686 -0.061 5.170 1.00 0.97 C ATOM 1379 O GLU A 86 -11.751 -0.128 5.782 1.00 1.07 O ATOM 1380 CB GLU A 86 -10.315 2.027 3.872 1.00 0.99 C ATOM 1381 CG GLU A 86 -9.635 3.392 3.732 1.00 1.16 C ATOM 1382 CD GLU A 86 -9.778 4.251 4.985 1.00 1.66 C ATOM 1383 OE1 GLU A 86 -10.918 4.693 5.240 1.00 2.04 O ATOM 1384 OE2 GLU A 86 -8.756 4.431 5.681 1.00 2.54 O ATOM 0 H GLU A 86 -7.951 1.562 4.477 1.00 0.94 H new ATOM 0 HA GLU A 86 -10.155 1.828 6.018 1.00 0.97 H new ATOM 0 HB2 GLU A 86 -10.083 1.426 2.993 1.00 0.99 H new ATOM 0 HB3 GLU A 86 -11.395 2.171 3.883 1.00 0.99 H new ATOM 0 HG2 GLU A 86 -8.577 3.246 3.515 1.00 1.16 H new ATOM 0 HG3 GLU A 86 -10.064 3.922 2.882 1.00 1.16 H new ATOM 1391 N ILE A 87 -10.175 -1.101 4.504 1.00 0.93 N ATOM 1392 CA ILE A 87 -10.785 -2.418 4.534 1.00 0.98 C ATOM 1393 C ILE A 87 -11.096 -2.883 5.968 1.00 1.03 C ATOM 1394 O ILE A 87 -12.121 -3.520 6.202 1.00 1.21 O ATOM 1395 CB ILE A 87 -9.871 -3.387 3.771 1.00 0.95 C ATOM 1396 CG1 ILE A 87 -10.617 -4.698 3.507 1.00 1.04 C ATOM 1397 CG2 ILE A 87 -8.551 -3.645 4.511 1.00 1.13 C ATOM 1398 CD1 ILE A 87 -10.030 -5.358 2.268 1.00 1.00 C ATOM 0 H ILE A 87 -9.331 -1.046 3.934 1.00 0.93 H new ATOM 0 HA ILE A 87 -11.756 -2.387 4.040 1.00 0.98 H new ATOM 0 HB ILE A 87 -9.608 -2.924 2.820 1.00 0.95 H new ATOM 0 HG12 ILE A 87 -10.527 -5.362 4.366 1.00 1.04 H new ATOM 0 HG13 ILE A 87 -11.680 -4.505 3.363 1.00 1.04 H new ATOM 0 HG21 ILE A 87 -7.938 -4.336 3.932 1.00 1.13 H new ATOM 0 HG22 ILE A 87 -8.015 -2.704 4.638 1.00 1.13 H new ATOM 0 HG23 ILE A 87 -8.761 -4.078 5.489 1.00 1.13 H new ATOM 0 HD11 ILE A 87 -10.554 -6.293 2.071 1.00 1.00 H new ATOM 0 HD12 ILE A 87 -10.143 -4.692 1.413 1.00 1.00 H new ATOM 0 HD13 ILE A 87 -8.972 -5.563 2.432 1.00 1.00 H new ATOM 1410 N ARG A 88 -10.219 -2.555 6.923 1.00 1.02 N ATOM 1411 CA ARG A 88 -10.353 -2.897 8.332 1.00 1.15 C ATOM 1412 C ARG A 88 -10.923 -1.710 9.120 1.00 1.21 C ATOM 1413 O ARG A 88 -11.816 -1.878 9.951 1.00 1.58 O ATOM 1414 CB ARG A 88 -8.979 -3.345 8.853 1.00 1.45 C ATOM 1415 CG ARG A 88 -9.065 -3.932 10.266 1.00 1.84 C ATOM 1416 CD ARG A 88 -7.752 -4.602 10.699 1.00 1.99 C ATOM 1417 NE ARG A 88 -7.474 -5.823 9.915 1.00 3.19 N ATOM 1418 CZ ARG A 88 -6.827 -6.908 10.374 1.00 4.28 C ATOM 1419 NH1 ARG A 88 -6.337 -6.912 11.611 1.00 4.41 N ATOM 1420 NH2 ARG A 88 -6.680 -7.987 9.596 1.00 5.95 N ATOM 0 H ARG A 88 -9.370 -2.026 6.723 1.00 1.02 H new ATOM 0 HA ARG A 88 -11.058 -3.718 8.464 1.00 1.15 H new ATOM 0 HB2 ARG A 88 -8.560 -4.089 8.176 1.00 1.45 H new ATOM 0 HB3 ARG A 88 -8.297 -2.495 8.854 1.00 1.45 H new ATOM 0 HG2 ARG A 88 -9.316 -3.140 10.972 1.00 1.84 H new ATOM 0 HG3 ARG A 88 -9.873 -4.662 10.305 1.00 1.84 H new ATOM 0 HD2 ARG A 88 -6.928 -3.898 10.580 1.00 1.99 H new ATOM 0 HD3 ARG A 88 -7.805 -4.854 11.758 1.00 1.99 H new ATOM 0 HE ARG A 88 -7.799 -5.844 8.948 1.00 3.19 H new ATOM 0 HH11 ARG A 88 -6.453 -6.093 12.208 1.00 4.41 H new ATOM 0 HH12 ARG A 88 -5.846 -7.734 11.962 1.00 4.41 H new ATOM 0 HH21 ARG A 88 -7.060 -7.989 8.649 1.00 5.95 H new ATOM 0 HH22 ARG A 88 -6.188 -8.808 9.950 1.00 5.95 H new ATOM 1434 N LYS A 89 -10.403 -0.506 8.863 1.00 1.06 N ATOM 1435 CA LYS A 89 -10.816 0.753 9.465 1.00 1.19 C ATOM 1436 C LYS A 89 -12.192 1.162 8.922 1.00 1.58 C ATOM 1437 O LYS A 89 -12.332 2.176 8.242 1.00 2.46 O ATOM 1438 CB LYS A 89 -9.725 1.795 9.154 1.00 1.15 C ATOM 1439 CG LYS A 89 -9.954 3.150 9.831 1.00 1.26 C ATOM 1440 CD LYS A 89 -8.990 4.207 9.276 1.00 1.45 C ATOM 1441 CE LYS A 89 -9.457 5.650 9.522 1.00 2.10 C ATOM 1442 NZ LYS A 89 -10.026 5.866 10.868 1.00 2.86 N ATOM 0 H LYS A 89 -9.643 -0.383 8.194 1.00 1.06 H new ATOM 0 HA LYS A 89 -10.923 0.666 10.546 1.00 1.19 H new ATOM 0 HB2 LYS A 89 -8.759 1.401 9.469 1.00 1.15 H new ATOM 0 HB3 LYS A 89 -9.673 1.942 8.075 1.00 1.15 H new ATOM 0 HG2 LYS A 89 -10.983 3.471 9.672 1.00 1.26 H new ATOM 0 HG3 LYS A 89 -9.813 3.052 10.907 1.00 1.26 H new ATOM 0 HD2 LYS A 89 -8.009 4.068 9.731 1.00 1.45 H new ATOM 0 HD3 LYS A 89 -8.869 4.050 8.204 1.00 1.45 H new ATOM 0 HE2 LYS A 89 -8.613 6.325 9.381 1.00 2.10 H new ATOM 0 HE3 LYS A 89 -10.205 5.914 8.774 1.00 2.10 H new ATOM 0 HZ1 LYS A 89 -10.037 6.884 11.081 1.00 2.86 H new ATOM 0 HZ2 LYS A 89 -10.997 5.496 10.898 1.00 2.86 H new ATOM 0 HZ3 LYS A 89 -9.445 5.371 11.574 1.00 2.86 H new ATOM 1456 N LYS A 90 -13.230 0.378 9.219 1.00 1.97 N ATOM 1457 CA LYS A 90 -14.555 0.648 8.686 1.00 2.60 C ATOM 1458 C LYS A 90 -15.244 1.772 9.465 1.00 2.57 C ATOM 1459 O LYS A 90 -15.869 2.648 8.871 1.00 3.13 O ATOM 1460 CB LYS A 90 -15.389 -0.641 8.653 1.00 3.63 C ATOM 1461 CG LYS A 90 -16.357 -0.622 7.461 1.00 4.65 C ATOM 1462 CD LYS A 90 -15.616 -0.800 6.122 1.00 5.41 C ATOM 1463 CE LYS A 90 -15.842 0.381 5.160 1.00 6.21 C ATOM 1464 NZ LYS A 90 -15.390 0.060 3.790 1.00 7.20 N ATOM 0 H LYS A 90 -13.174 -0.443 9.822 1.00 1.97 H new ATOM 0 HA LYS A 90 -14.457 0.998 7.658 1.00 2.60 H new ATOM 0 HB2 LYS A 90 -14.730 -1.506 8.581 1.00 3.63 H new ATOM 0 HB3 LYS A 90 -15.949 -0.743 9.583 1.00 3.63 H new ATOM 0 HG2 LYS A 90 -17.094 -1.417 7.578 1.00 4.65 H new ATOM 0 HG3 LYS A 90 -16.904 0.321 7.452 1.00 4.65 H new ATOM 0 HD2 LYS A 90 -14.548 -0.909 6.313 1.00 5.41 H new ATOM 0 HD3 LYS A 90 -15.950 -1.721 5.645 1.00 5.41 H new ATOM 0 HE2 LYS A 90 -16.901 0.640 5.143 1.00 6.21 H new ATOM 0 HE3 LYS A 90 -15.305 1.257 5.525 1.00 6.21 H new ATOM 0 HZ1 LYS A 90 -15.846 0.705 3.114 1.00 7.20 H new ATOM 0 HZ2 LYS A 90 -14.357 0.169 3.731 1.00 7.20 H new ATOM 0 HZ3 LYS A 90 -15.648 -0.921 3.560 1.00 7.20 H new ATOM 1478 N LYS A 91 -15.146 1.737 10.801 1.00 2.74 N ATOM 1479 CA LYS A 91 -15.701 2.751 11.691 1.00 3.48 C ATOM 1480 C LYS A 91 -15.029 2.621 13.068 1.00 3.72 C ATOM 1481 O LYS A 91 -15.641 2.244 14.072 1.00 4.41 O ATOM 1482 CB LYS A 91 -17.247 2.668 11.713 1.00 4.53 C ATOM 1483 CG LYS A 91 -17.924 4.044 11.597 1.00 5.66 C ATOM 1484 CD LYS A 91 -17.780 4.641 10.186 1.00 6.22 C ATOM 1485 CE LYS A 91 -18.522 5.980 10.056 1.00 7.43 C ATOM 1486 NZ LYS A 91 -18.361 6.569 8.708 1.00 8.17 N ATOM 0 H LYS A 91 -14.668 0.985 11.298 1.00 2.74 H new ATOM 0 HA LYS A 91 -15.483 3.756 11.330 1.00 3.48 H new ATOM 0 HB2 LYS A 91 -17.583 2.034 10.893 1.00 4.53 H new ATOM 0 HB3 LYS A 91 -17.567 2.189 12.638 1.00 4.53 H new ATOM 0 HG2 LYS A 91 -18.981 3.950 11.844 1.00 5.66 H new ATOM 0 HG3 LYS A 91 -17.486 4.726 12.326 1.00 5.66 H new ATOM 0 HD2 LYS A 91 -16.724 4.787 9.959 1.00 6.22 H new ATOM 0 HD3 LYS A 91 -18.170 3.936 9.451 1.00 6.22 H new ATOM 0 HE2 LYS A 91 -19.582 5.830 10.263 1.00 7.43 H new ATOM 0 HE3 LYS A 91 -18.147 6.678 10.805 1.00 7.43 H new ATOM 0 HZ1 LYS A 91 -18.876 7.471 8.660 1.00 8.17 H new ATOM 0 HZ2 LYS A 91 -17.352 6.736 8.520 1.00 8.17 H new ATOM 0 HZ3 LYS A 91 -18.742 5.914 7.995 1.00 8.17 H new ATOM 1500 N ASP A 92 -13.732 2.928 13.094 1.00 3.90 N ATOM 1501 CA ASP A 92 -12.834 2.811 14.233 1.00 4.72 C ATOM 1502 C ASP A 92 -13.071 3.934 15.244 1.00 5.62 C ATOM 1503 O ASP A 92 -12.192 4.742 15.531 1.00 6.36 O ATOM 1504 CB ASP A 92 -11.381 2.779 13.733 1.00 4.89 C ATOM 1505 CG ASP A 92 -11.008 3.997 12.902 1.00 6.35 C ATOM 1506 OD1 ASP A 92 -11.819 4.389 12.026 1.00 6.87 O ATOM 1507 OD2 ASP A 92 -9.855 4.473 13.001 1.00 7.51 O ATOM 0 H ASP A 92 -13.255 3.287 12.267 1.00 3.90 H new ATOM 0 HA ASP A 92 -13.038 1.878 14.758 1.00 4.72 H new ATOM 0 HB2 ASP A 92 -10.710 2.712 14.589 1.00 4.89 H new ATOM 0 HB3 ASP A 92 -11.228 1.879 13.137 1.00 4.89 H new ATOM 1512 N LEU A 93 -14.269 3.937 15.824 1.00 5.91 N ATOM 1513 CA LEU A 93 -14.589 4.698 17.022 1.00 6.86 C ATOM 1514 C LEU A 93 -15.483 3.863 17.934 1.00 7.24 C ATOM 1515 O LEU A 93 -15.220 3.750 19.126 1.00 8.11 O ATOM 1516 CB LEU A 93 -15.177 6.088 16.710 1.00 7.34 C ATOM 1517 CG LEU A 93 -16.340 6.160 15.699 1.00 7.37 C ATOM 1518 CD1 LEU A 93 -17.228 7.363 16.039 1.00 8.21 C ATOM 1519 CD2 LEU A 93 -15.823 6.337 14.265 1.00 7.59 C ATOM 0 H LEU A 93 -15.058 3.399 15.465 1.00 5.91 H new ATOM 0 HA LEU A 93 -13.661 4.907 17.554 1.00 6.86 H new ATOM 0 HB2 LEU A 93 -15.519 6.526 17.648 1.00 7.34 H new ATOM 0 HB3 LEU A 93 -14.369 6.719 16.339 1.00 7.34 H new ATOM 0 HG LEU A 93 -16.900 5.227 15.762 1.00 7.37 H new ATOM 0 HD11 LEU A 93 -18.052 7.419 15.328 1.00 8.21 H new ATOM 0 HD12 LEU A 93 -17.626 7.248 17.047 1.00 8.21 H new ATOM 0 HD13 LEU A 93 -16.638 8.278 15.984 1.00 8.21 H new ATOM 0 HD21 LEU A 93 -16.667 6.384 13.577 1.00 7.59 H new ATOM 0 HD22 LEU A 93 -15.248 7.260 14.197 1.00 7.59 H new ATOM 0 HD23 LEU A 93 -15.186 5.492 14.001 1.00 7.59 H new ATOM 1531 N LYS A 94 -16.534 3.255 17.375 1.00 6.88 N ATOM 1532 CA LYS A 94 -17.455 2.430 18.141 1.00 7.54 C ATOM 1533 C LYS A 94 -16.946 0.989 18.198 1.00 7.63 C ATOM 1534 O LYS A 94 -16.915 0.409 19.280 1.00 8.44 O ATOM 1535 CB LYS A 94 -18.872 2.558 17.567 1.00 7.76 C ATOM 1536 CG LYS A 94 -19.359 4.010 17.727 1.00 8.45 C ATOM 1537 CD LYS A 94 -20.717 4.269 17.059 1.00 8.61 C ATOM 1538 CE LYS A 94 -21.904 3.560 17.733 1.00 9.49 C ATOM 1539 NZ LYS A 94 -22.124 4.011 19.125 1.00 10.74 N ATOM 0 H LYS A 94 -16.764 3.324 16.384 1.00 6.88 H new ATOM 0 HA LYS A 94 -17.506 2.778 19.173 1.00 7.54 H new ATOM 0 HB2 LYS A 94 -18.877 2.275 16.514 1.00 7.76 H new ATOM 0 HB3 LYS A 94 -19.548 1.877 18.083 1.00 7.76 H new ATOM 0 HG2 LYS A 94 -19.432 4.247 18.788 1.00 8.45 H new ATOM 0 HG3 LYS A 94 -18.617 4.685 17.300 1.00 8.45 H new ATOM 0 HD2 LYS A 94 -20.906 5.342 17.054 1.00 8.61 H new ATOM 0 HD3 LYS A 94 -20.663 3.950 16.018 1.00 8.61 H new ATOM 0 HE2 LYS A 94 -22.807 3.740 17.150 1.00 9.49 H new ATOM 0 HE3 LYS A 94 -21.730 2.484 17.727 1.00 9.49 H new ATOM 0 HZ1 LYS A 94 -23.003 3.592 19.491 1.00 10.74 H new ATOM 0 HZ2 LYS A 94 -21.324 3.711 19.718 1.00 10.74 H new ATOM 0 HZ3 LYS A 94 -22.200 5.048 19.146 1.00 10.74 H new ATOM 1553 N ILE A 95 -16.537 0.421 17.051 1.00 7.38 N ATOM 1554 CA ILE A 95 -15.907 -0.899 16.919 1.00 8.02 C ATOM 1555 C ILE A 95 -16.902 -2.034 17.229 1.00 8.08 C ATOM 1556 O ILE A 95 -17.241 -2.824 16.341 1.00 7.95 O ATOM 1557 CB ILE A 95 -14.588 -0.972 17.725 1.00 9.83 C ATOM 1558 CG1 ILE A 95 -13.619 0.115 17.217 1.00 10.67 C ATOM 1559 CG2 ILE A 95 -13.943 -2.361 17.596 1.00 10.54 C ATOM 1560 CD1 ILE A 95 -12.326 0.216 18.032 1.00 12.45 C ATOM 0 H ILE A 95 -16.642 0.892 16.152 1.00 7.38 H new ATOM 0 HA ILE A 95 -15.622 -1.047 15.877 1.00 8.02 H new ATOM 0 HB ILE A 95 -14.809 -0.801 18.779 1.00 9.83 H new ATOM 0 HG12 ILE A 95 -13.367 -0.092 16.177 1.00 10.67 H new ATOM 0 HG13 ILE A 95 -14.126 1.079 17.236 1.00 10.67 H new ATOM 0 HG21 ILE A 95 -13.017 -2.387 18.171 1.00 10.54 H new ATOM 0 HG22 ILE A 95 -14.629 -3.117 17.977 1.00 10.54 H new ATOM 0 HG23 ILE A 95 -13.725 -2.565 16.548 1.00 10.54 H new ATOM 0 HD11 ILE A 95 -11.694 1.001 17.616 1.00 12.45 H new ATOM 0 HD12 ILE A 95 -12.567 0.454 19.068 1.00 12.45 H new ATOM 0 HD13 ILE A 95 -11.796 -0.735 17.992 1.00 12.45 H new ATOM 1572 N ARG A 96 -17.371 -2.087 18.478 1.00 8.77 N ATOM 1573 CA ARG A 96 -18.622 -2.675 18.947 1.00 9.26 C ATOM 1574 C ARG A 96 -18.601 -4.197 19.087 1.00 9.77 C ATOM 1575 O ARG A 96 -19.096 -4.709 20.087 1.00 10.75 O ATOM 1576 CB ARG A 96 -19.810 -2.156 18.112 1.00 8.97 C ATOM 1577 CG ARG A 96 -21.143 -2.119 18.884 1.00 9.93 C ATOM 1578 CD ARG A 96 -21.940 -3.431 18.889 1.00 10.60 C ATOM 1579 NE ARG A 96 -22.431 -3.777 17.544 1.00 10.52 N ATOM 1580 CZ ARG A 96 -23.242 -4.813 17.271 1.00 11.42 C ATOM 1581 NH1 ARG A 96 -23.591 -5.660 18.246 1.00 12.32 N ATOM 1582 NH2 ARG A 96 -23.704 -4.994 16.028 1.00 11.72 N ATOM 0 H ARG A 96 -16.838 -1.685 19.250 1.00 8.77 H new ATOM 0 HA ARG A 96 -18.756 -2.334 19.974 1.00 9.26 H new ATOM 0 HB2 ARG A 96 -19.580 -1.152 17.754 1.00 8.97 H new ATOM 0 HB3 ARG A 96 -19.928 -2.789 17.232 1.00 8.97 H new ATOM 0 HG2 ARG A 96 -20.937 -1.835 19.916 1.00 9.93 H new ATOM 0 HG3 ARG A 96 -21.769 -1.336 18.457 1.00 9.93 H new ATOM 0 HD2 ARG A 96 -21.310 -4.237 19.265 1.00 10.60 H new ATOM 0 HD3 ARG A 96 -22.784 -3.341 19.572 1.00 10.60 H new ATOM 0 HE ARG A 96 -22.135 -3.189 16.765 1.00 10.52 H new ATOM 0 HH11 ARG A 96 -23.242 -5.518 19.194 1.00 12.32 H new ATOM 0 HH12 ARG A 96 -24.207 -6.447 18.042 1.00 12.32 H new ATOM 0 HH21 ARG A 96 -23.441 -4.345 15.286 1.00 11.72 H new ATOM 0 HH22 ARG A 96 -24.320 -5.781 15.822 1.00 11.72 H new ATOM 1596 N LYS A 97 -18.060 -4.911 18.095 1.00 9.34 N ATOM 1597 CA LYS A 97 -18.343 -6.313 17.795 1.00 9.64 C ATOM 1598 C LYS A 97 -17.475 -6.741 16.607 1.00 9.14 C ATOM 1599 O LYS A 97 -17.445 -6.042 15.592 1.00 8.36 O ATOM 1600 CB LYS A 97 -18.306 -7.265 19.014 1.00 11.00 C ATOM 1601 CG LYS A 97 -17.059 -7.168 19.905 1.00 12.15 C ATOM 1602 CD LYS A 97 -17.015 -8.407 20.816 1.00 13.50 C ATOM 1603 CE LYS A 97 -16.018 -8.272 21.978 1.00 15.10 C ATOM 1604 NZ LYS A 97 -16.513 -7.373 23.043 1.00 15.66 N ATOM 0 H LYS A 97 -17.381 -4.506 17.451 1.00 9.34 H new ATOM 0 HA LYS A 97 -19.390 -6.399 17.504 1.00 9.64 H new ATOM 0 HB2 LYS A 97 -19.184 -7.070 19.629 1.00 11.00 H new ATOM 0 HB3 LYS A 97 -18.391 -8.290 18.653 1.00 11.00 H new ATOM 0 HG2 LYS A 97 -16.159 -7.115 19.293 1.00 12.15 H new ATOM 0 HG3 LYS A 97 -17.091 -6.258 20.504 1.00 12.15 H new ATOM 0 HD2 LYS A 97 -18.011 -8.588 21.220 1.00 13.50 H new ATOM 0 HD3 LYS A 97 -16.750 -9.279 20.219 1.00 13.50 H new ATOM 0 HE2 LYS A 97 -15.821 -9.257 22.400 1.00 15.10 H new ATOM 0 HE3 LYS A 97 -15.070 -7.893 21.597 1.00 15.10 H new ATOM 0 HZ1 LYS A 97 -15.806 -7.314 23.804 1.00 15.66 H new ATOM 0 HZ2 LYS A 97 -16.677 -6.425 22.649 1.00 15.66 H new ATOM 0 HZ3 LYS A 97 -17.404 -7.747 23.427 1.00 15.66 H new ATOM 1618 N LYS A 98 -16.774 -7.867 16.724 1.00 9.90 N ATOM 1619 CA LYS A 98 -16.164 -8.614 15.647 1.00 9.81 C ATOM 1620 C LYS A 98 -16.196 -10.056 16.118 1.00 10.82 C ATOM 1621 O LYS A 98 -16.392 -10.262 17.341 1.00 11.84 O ATOM 1622 CB LYS A 98 -14.713 -8.172 15.378 1.00 10.41 C ATOM 1623 CG LYS A 98 -13.837 -7.799 16.591 1.00 11.69 C ATOM 1624 CD LYS A 98 -13.653 -8.807 17.745 1.00 12.87 C ATOM 1625 CE LYS A 98 -12.988 -10.163 17.421 1.00 13.44 C ATOM 1626 NZ LYS A 98 -13.959 -11.249 17.152 1.00 13.16 N ATOM 1627 OXT LYS A 98 -15.752 -10.928 15.342 1.00 10.99 O ATOM 0 H LYS A 98 -16.612 -8.301 17.633 1.00 9.90 H new ATOM 0 HA LYS A 98 -16.696 -8.458 14.708 1.00 9.81 H new ATOM 0 HB2 LYS A 98 -14.213 -8.976 14.839 1.00 10.41 H new ATOM 0 HB3 LYS A 98 -14.744 -7.311 14.710 1.00 10.41 H new ATOM 0 HG2 LYS A 98 -12.845 -7.554 16.212 1.00 11.69 H new ATOM 0 HG3 LYS A 98 -14.248 -6.885 17.020 1.00 11.69 H new ATOM 0 HD2 LYS A 98 -13.062 -8.322 18.522 1.00 12.87 H new ATOM 0 HD3 LYS A 98 -14.635 -9.010 18.172 1.00 12.87 H new ATOM 0 HE2 LYS A 98 -12.340 -10.043 16.553 1.00 13.44 H new ATOM 0 HE3 LYS A 98 -12.351 -10.455 18.256 1.00 13.44 H new ATOM 0 HZ1 LYS A 98 -13.542 -12.162 17.423 1.00 13.16 H new ATOM 0 HZ2 LYS A 98 -14.824 -11.086 17.705 1.00 13.16 H new ATOM 0 HZ3 LYS A 98 -14.193 -11.262 16.139 1.00 13.16 H new TER 1641 LYS A 98 ATOM 1642 N MET B 1 -16.975 -4.194 13.744 1.00 4.36 N ATOM 1643 CA MET B 1 -16.065 -4.646 12.671 1.00 3.87 C ATOM 1644 C MET B 1 -16.950 -5.082 11.501 1.00 4.14 C ATOM 1645 O MET B 1 -18.097 -4.640 11.494 1.00 5.25 O ATOM 1646 CB MET B 1 -15.074 -3.548 12.253 1.00 4.21 C ATOM 1647 CG MET B 1 -14.161 -3.092 13.402 1.00 4.67 C ATOM 1648 SD MET B 1 -13.294 -4.398 14.315 1.00 4.86 S ATOM 1649 CE MET B 1 -12.169 -5.018 13.045 1.00 6.02 C ATOM 0 H1 MET B 1 -16.814 -3.184 13.933 1.00 4.36 H new ATOM 0 H2 MET B 1 -17.961 -4.337 13.446 1.00 4.36 H new ATOM 0 H3 MET B 1 -16.791 -4.742 14.609 1.00 4.36 H new ATOM 0 HA MET B 1 -15.447 -5.473 13.020 1.00 3.87 H new ATOM 0 HB2 MET B 1 -14.459 -3.915 11.432 1.00 4.21 H new ATOM 0 HB3 MET B 1 -15.630 -2.690 11.876 1.00 4.21 H new ATOM 0 HG2 MET B 1 -13.416 -2.408 12.995 1.00 4.67 H new ATOM 0 HG3 MET B 1 -14.763 -2.523 14.110 1.00 4.67 H new ATOM 0 HE1 MET B 1 -11.567 -5.828 13.456 1.00 6.02 H new ATOM 0 HE2 MET B 1 -12.746 -5.389 12.198 1.00 6.02 H new ATOM 0 HE3 MET B 1 -11.515 -4.212 12.713 1.00 6.02 H new ATOM 1661 N ALA B 2 -16.449 -5.950 10.605 1.00 3.76 N ATOM 1662 CA ALA B 2 -17.199 -6.794 9.659 1.00 4.20 C ATOM 1663 C ALA B 2 -16.996 -6.466 8.168 1.00 3.47 C ATOM 1664 O ALA B 2 -17.898 -5.956 7.515 1.00 3.91 O ATOM 1665 CB ALA B 2 -18.687 -6.944 10.012 1.00 5.72 C ATOM 0 H ALA B 2 -15.442 -6.090 10.517 1.00 3.76 H new ATOM 0 HA ALA B 2 -16.735 -7.771 9.795 1.00 4.20 H new ATOM 0 HB1 ALA B 2 -19.174 -7.578 9.272 1.00 5.72 H new ATOM 0 HB2 ALA B 2 -18.783 -7.398 10.998 1.00 5.72 H new ATOM 0 HB3 ALA B 2 -19.161 -5.962 10.017 1.00 5.72 H new ATOM 1671 N ALA B 3 -15.823 -6.837 7.639 1.00 3.23 N ATOM 1672 CA ALA B 3 -15.631 -7.463 6.324 1.00 3.04 C ATOM 1673 C ALA B 3 -16.669 -7.158 5.225 1.00 2.68 C ATOM 1674 O ALA B 3 -17.709 -7.811 5.173 1.00 3.07 O ATOM 1675 CB ALA B 3 -15.500 -8.978 6.523 1.00 3.86 C ATOM 0 H ALA B 3 -14.943 -6.703 8.138 1.00 3.23 H new ATOM 0 HA ALA B 3 -14.724 -7.004 5.930 1.00 3.04 H new ATOM 0 HB1 ALA B 3 -15.357 -9.461 5.556 1.00 3.86 H new ATOM 0 HB2 ALA B 3 -14.644 -9.188 7.164 1.00 3.86 H new ATOM 0 HB3 ALA B 3 -16.406 -9.363 6.990 1.00 3.86 H new ATOM 1681 N GLU B 4 -16.346 -6.252 4.294 1.00 2.94 N ATOM 1682 CA GLU B 4 -17.116 -6.030 3.067 1.00 3.44 C ATOM 1683 C GLU B 4 -16.577 -6.906 1.919 1.00 2.56 C ATOM 1684 O GLU B 4 -15.388 -7.218 1.916 1.00 2.00 O ATOM 1685 CB GLU B 4 -17.020 -4.548 2.683 1.00 4.81 C ATOM 1686 CG GLU B 4 -17.768 -3.670 3.693 1.00 6.46 C ATOM 1687 CD GLU B 4 -17.563 -2.187 3.446 1.00 8.11 C ATOM 1688 OE1 GLU B 4 -16.806 -1.815 2.517 1.00 8.75 O ATOM 1689 OE2 GLU B 4 -18.083 -1.388 4.246 1.00 9.07 O ATOM 0 H GLU B 4 -15.531 -5.645 4.374 1.00 2.94 H new ATOM 0 HA GLU B 4 -18.157 -6.303 3.242 1.00 3.44 H new ATOM 0 HB2 GLU B 4 -15.973 -4.247 2.639 1.00 4.81 H new ATOM 0 HB3 GLU B 4 -17.437 -4.399 1.687 1.00 4.81 H new ATOM 0 HG2 GLU B 4 -18.833 -3.898 3.647 1.00 6.46 H new ATOM 0 HG3 GLU B 4 -17.432 -3.916 4.700 1.00 6.46 H new ATOM 1696 N PRO B 5 -17.420 -7.292 0.941 1.00 2.73 N ATOM 1697 CA PRO B 5 -16.994 -7.976 -0.279 1.00 2.27 C ATOM 1698 C PRO B 5 -16.306 -6.991 -1.236 1.00 1.72 C ATOM 1699 O PRO B 5 -16.435 -5.781 -1.061 1.00 2.24 O ATOM 1700 CB PRO B 5 -18.280 -8.542 -0.884 1.00 2.94 C ATOM 1701 CG PRO B 5 -19.327 -7.507 -0.471 1.00 3.60 C ATOM 1702 CD PRO B 5 -18.858 -7.072 0.919 1.00 3.63 C ATOM 0 HA PRO B 5 -16.266 -8.763 -0.083 1.00 2.27 H new ATOM 0 HB2 PRO B 5 -18.210 -8.638 -1.968 1.00 2.94 H new ATOM 0 HB3 PRO B 5 -18.511 -9.532 -0.491 1.00 2.94 H new ATOM 0 HG2 PRO B 5 -19.360 -6.668 -1.166 1.00 3.60 H new ATOM 0 HG3 PRO B 5 -20.328 -7.936 -0.442 1.00 3.60 H new ATOM 0 HD2 PRO B 5 -19.096 -6.024 1.101 1.00 3.63 H new ATOM 0 HD3 PRO B 5 -19.354 -7.651 1.698 1.00 3.63 H new ATOM 1710 N LEU B 6 -15.557 -7.511 -2.222 1.00 1.17 N ATOM 1711 CA LEU B 6 -14.515 -6.767 -2.927 1.00 1.20 C ATOM 1712 C LEU B 6 -14.519 -7.073 -4.440 1.00 1.16 C ATOM 1713 O LEU B 6 -14.910 -8.165 -4.848 1.00 1.59 O ATOM 1714 CB LEU B 6 -13.162 -7.162 -2.313 1.00 1.86 C ATOM 1715 CG LEU B 6 -13.078 -7.059 -0.777 1.00 1.71 C ATOM 1716 CD1 LEU B 6 -11.745 -7.647 -0.324 1.00 2.53 C ATOM 1717 CD2 LEU B 6 -13.179 -5.628 -0.230 1.00 2.44 C ATOM 0 H LEU B 6 -15.664 -8.470 -2.551 1.00 1.17 H new ATOM 0 HA LEU B 6 -14.697 -5.698 -2.818 1.00 1.20 H new ATOM 0 HB2 LEU B 6 -12.935 -8.188 -2.604 1.00 1.86 H new ATOM 0 HB3 LEU B 6 -12.387 -6.529 -2.746 1.00 1.86 H new ATOM 0 HG LEU B 6 -13.936 -7.606 -0.386 1.00 1.71 H new ATOM 0 HD11 LEU B 6 -11.669 -7.582 0.761 1.00 2.53 H new ATOM 0 HD12 LEU B 6 -11.685 -8.691 -0.630 1.00 2.53 H new ATOM 0 HD13 LEU B 6 -10.927 -7.088 -0.779 1.00 2.53 H new ATOM 0 HD21 LEU B 6 -13.111 -5.649 0.858 1.00 2.44 H new ATOM 0 HD22 LEU B 6 -12.365 -5.026 -0.633 1.00 2.44 H new ATOM 0 HD23 LEU B 6 -14.133 -5.192 -0.525 1.00 2.44 H new ATOM 1729 N THR B 7 -14.103 -6.099 -5.262 1.00 1.08 N ATOM 1730 CA THR B 7 -14.137 -6.096 -6.724 1.00 1.15 C ATOM 1731 C THR B 7 -12.871 -6.644 -7.407 1.00 1.35 C ATOM 1732 O THR B 7 -12.953 -7.643 -8.116 1.00 2.60 O ATOM 1733 CB THR B 7 -14.518 -4.678 -7.206 1.00 1.23 C ATOM 1734 OG1 THR B 7 -14.895 -4.680 -8.566 1.00 1.51 O ATOM 1735 CG2 THR B 7 -13.418 -3.623 -7.018 1.00 1.44 C ATOM 0 H THR B 7 -13.707 -5.234 -4.893 1.00 1.08 H new ATOM 0 HA THR B 7 -14.900 -6.809 -7.035 1.00 1.15 H new ATOM 0 HB THR B 7 -15.356 -4.398 -6.568 1.00 1.23 H new ATOM 0 HG1 THR B 7 -15.132 -3.770 -8.841 1.00 1.51 H new ATOM 0 HG21 THR B 7 -13.772 -2.659 -7.383 1.00 1.44 H new ATOM 0 HG22 THR B 7 -13.169 -3.541 -5.960 1.00 1.44 H new ATOM 0 HG23 THR B 7 -12.530 -3.919 -7.577 1.00 1.44 H new ATOM 1743 N GLU B 8 -11.726 -5.956 -7.279 1.00 1.07 N ATOM 1744 CA GLU B 8 -10.566 -6.136 -8.147 1.00 0.86 C ATOM 1745 C GLU B 8 -9.380 -5.374 -7.546 1.00 0.80 C ATOM 1746 O GLU B 8 -8.510 -5.974 -6.921 1.00 0.87 O ATOM 1747 CB GLU B 8 -10.898 -5.662 -9.571 1.00 0.94 C ATOM 1748 CG GLU B 8 -9.729 -5.919 -10.524 1.00 1.14 C ATOM 1749 CD GLU B 8 -9.997 -5.298 -11.888 1.00 1.52 C ATOM 1750 OE1 GLU B 8 -10.122 -4.053 -11.915 1.00 1.87 O ATOM 1751 OE2 GLU B 8 -10.077 -6.070 -12.866 1.00 2.18 O ATOM 0 H GLU B 8 -11.584 -5.250 -6.557 1.00 1.07 H new ATOM 0 HA GLU B 8 -10.297 -7.190 -8.215 1.00 0.86 H new ATOM 0 HB2 GLU B 8 -11.786 -6.180 -9.932 1.00 0.94 H new ATOM 0 HB3 GLU B 8 -11.133 -4.598 -9.558 1.00 0.94 H new ATOM 0 HG2 GLU B 8 -8.813 -5.503 -10.104 1.00 1.14 H new ATOM 0 HG3 GLU B 8 -9.572 -6.992 -10.633 1.00 1.14 H new ATOM 1758 N LEU B 9 -9.346 -4.042 -7.661 1.00 0.77 N ATOM 1759 CA LEU B 9 -8.418 -3.256 -6.852 1.00 0.74 C ATOM 1760 C LEU B 9 -8.655 -3.543 -5.365 1.00 0.70 C ATOM 1761 O LEU B 9 -7.705 -3.813 -4.632 1.00 0.69 O ATOM 1762 CB LEU B 9 -8.498 -1.758 -7.198 1.00 0.84 C ATOM 1763 CG LEU B 9 -7.500 -1.439 -8.327 1.00 0.89 C ATOM 1764 CD1 LEU B 9 -7.846 -0.139 -9.059 1.00 1.13 C ATOM 1765 CD2 LEU B 9 -6.075 -1.292 -7.771 1.00 1.04 C ATOM 0 H LEU B 9 -9.936 -3.499 -8.291 1.00 0.77 H new ATOM 0 HA LEU B 9 -7.396 -3.557 -7.084 1.00 0.74 H new ATOM 0 HB2 LEU B 9 -9.510 -1.499 -7.509 1.00 0.84 H new ATOM 0 HB3 LEU B 9 -8.271 -1.157 -6.317 1.00 0.84 H new ATOM 0 HG LEU B 9 -7.561 -2.274 -9.025 1.00 0.89 H new ATOM 0 HD11 LEU B 9 -7.113 0.042 -9.845 1.00 1.13 H new ATOM 0 HD12 LEU B 9 -8.839 -0.223 -9.501 1.00 1.13 H new ATOM 0 HD13 LEU B 9 -7.832 0.691 -8.353 1.00 1.13 H new ATOM 0 HD21 LEU B 9 -5.388 -1.067 -8.586 1.00 1.04 H new ATOM 0 HD22 LEU B 9 -6.051 -0.482 -7.042 1.00 1.04 H new ATOM 0 HD23 LEU B 9 -5.774 -2.223 -7.290 1.00 1.04 H new ATOM 1777 N GLU B 10 -9.926 -3.557 -4.947 1.00 0.73 N ATOM 1778 CA GLU B 10 -10.342 -4.000 -3.622 1.00 0.75 C ATOM 1779 C GLU B 10 -9.740 -5.393 -3.293 1.00 0.85 C ATOM 1780 O GLU B 10 -9.135 -5.580 -2.238 1.00 1.23 O ATOM 1781 CB GLU B 10 -11.879 -3.981 -3.535 1.00 0.86 C ATOM 1782 CG GLU B 10 -12.562 -2.619 -3.825 1.00 1.81 C ATOM 1783 CD GLU B 10 -14.099 -2.681 -3.782 1.00 2.38 C ATOM 1784 OE1 GLU B 10 -14.620 -3.714 -4.241 1.00 3.13 O ATOM 1785 OE2 GLU B 10 -14.748 -1.701 -3.349 1.00 3.09 O ATOM 0 H GLU B 10 -10.703 -3.255 -5.534 1.00 0.73 H new ATOM 0 HA GLU B 10 -9.958 -3.315 -2.866 1.00 0.75 H new ATOM 0 HB2 GLU B 10 -12.271 -4.718 -4.236 1.00 0.86 H new ATOM 0 HB3 GLU B 10 -12.170 -4.305 -2.536 1.00 0.86 H new ATOM 0 HG2 GLU B 10 -12.215 -1.886 -3.097 1.00 1.81 H new ATOM 0 HG3 GLU B 10 -12.248 -2.266 -4.807 1.00 1.81 H new ATOM 1792 N GLU B 11 -9.855 -6.367 -4.207 1.00 0.75 N ATOM 1793 CA GLU B 11 -9.257 -7.694 -4.032 1.00 0.75 C ATOM 1794 C GLU B 11 -7.740 -7.586 -3.838 1.00 0.73 C ATOM 1795 O GLU B 11 -7.158 -8.231 -2.970 1.00 0.82 O ATOM 1796 CB GLU B 11 -9.542 -8.588 -5.249 1.00 0.89 C ATOM 1797 CG GLU B 11 -11.031 -8.846 -5.512 1.00 1.50 C ATOM 1798 CD GLU B 11 -11.517 -10.077 -4.755 1.00 2.60 C ATOM 1799 OE1 GLU B 11 -11.568 -9.991 -3.511 1.00 3.64 O ATOM 1800 OE2 GLU B 11 -11.788 -11.093 -5.430 1.00 3.29 O ATOM 0 H GLU B 11 -10.363 -6.256 -5.084 1.00 0.75 H new ATOM 0 HA GLU B 11 -9.705 -8.140 -3.144 1.00 0.75 H new ATOM 0 HB2 GLU B 11 -9.104 -8.126 -6.134 1.00 0.89 H new ATOM 0 HB3 GLU B 11 -9.040 -9.545 -5.107 1.00 0.89 H new ATOM 0 HG2 GLU B 11 -11.613 -7.976 -5.209 1.00 1.50 H new ATOM 0 HG3 GLU B 11 -11.196 -8.984 -6.581 1.00 1.50 H new ATOM 1807 N SER B 12 -7.084 -6.777 -4.672 1.00 0.69 N ATOM 1808 CA SER B 12 -5.643 -6.595 -4.670 1.00 0.72 C ATOM 1809 C SER B 12 -5.167 -6.055 -3.321 1.00 0.70 C ATOM 1810 O SER B 12 -4.211 -6.577 -2.750 1.00 0.76 O ATOM 1811 CB SER B 12 -5.219 -5.675 -5.818 1.00 0.81 C ATOM 1812 OG SER B 12 -5.720 -6.147 -7.055 1.00 1.70 O ATOM 0 H SER B 12 -7.558 -6.219 -5.383 1.00 0.69 H new ATOM 0 HA SER B 12 -5.170 -7.565 -4.823 1.00 0.72 H new ATOM 0 HB2 SER B 12 -5.585 -4.665 -5.634 1.00 0.81 H new ATOM 0 HB3 SER B 12 -4.131 -5.617 -5.860 1.00 0.81 H new ATOM 0 HG SER B 12 -6.693 -6.030 -7.080 1.00 1.70 H new ATOM 1818 N ILE B 13 -5.825 -5.017 -2.795 1.00 0.73 N ATOM 1819 CA ILE B 13 -5.492 -4.534 -1.457 1.00 0.80 C ATOM 1820 C ILE B 13 -5.743 -5.633 -0.416 1.00 0.85 C ATOM 1821 O ILE B 13 -4.964 -5.756 0.528 1.00 0.95 O ATOM 1822 CB ILE B 13 -6.076 -3.130 -1.154 1.00 0.83 C ATOM 1823 CG1 ILE B 13 -7.585 -2.965 -1.344 1.00 0.76 C ATOM 1824 CG2 ILE B 13 -5.365 -2.141 -2.083 1.00 0.90 C ATOM 1825 CD1 ILE B 13 -8.383 -3.424 -0.127 1.00 0.78 C ATOM 0 H ILE B 13 -6.574 -4.507 -3.264 1.00 0.73 H new ATOM 0 HA ILE B 13 -4.422 -4.337 -1.398 1.00 0.80 H new ATOM 0 HB ILE B 13 -5.909 -2.955 -0.091 1.00 0.83 H new ATOM 0 HG12 ILE B 13 -7.810 -1.918 -1.547 1.00 0.76 H new ATOM 0 HG13 ILE B 13 -7.902 -3.535 -2.218 1.00 0.76 H new ATOM 0 HG21 ILE B 13 -5.746 -1.136 -1.904 1.00 0.90 H new ATOM 0 HG22 ILE B 13 -4.293 -2.163 -1.886 1.00 0.90 H new ATOM 0 HG23 ILE B 13 -5.549 -2.419 -3.121 1.00 0.90 H new ATOM 0 HD11 ILE B 13 -9.447 -3.285 -0.316 1.00 0.78 H new ATOM 0 HD12 ILE B 13 -8.183 -4.479 0.063 1.00 0.78 H new ATOM 0 HD13 ILE B 13 -8.089 -2.837 0.743 1.00 0.78 H new ATOM 1837 N GLU B 14 -6.751 -6.492 -0.618 1.00 0.82 N ATOM 1838 CA GLU B 14 -6.927 -7.649 0.251 1.00 0.90 C ATOM 1839 C GLU B 14 -5.719 -8.588 0.183 1.00 0.96 C ATOM 1840 O GLU B 14 -5.095 -8.823 1.209 1.00 1.04 O ATOM 1841 CB GLU B 14 -8.238 -8.396 -0.031 1.00 0.98 C ATOM 1842 CG GLU B 14 -8.861 -8.911 1.278 1.00 1.10 C ATOM 1843 CD GLU B 14 -7.934 -9.837 2.054 1.00 1.82 C ATOM 1844 OE1 GLU B 14 -7.656 -10.933 1.526 1.00 2.58 O ATOM 1845 OE2 GLU B 14 -7.501 -9.426 3.154 1.00 2.64 O ATOM 0 H GLU B 14 -7.442 -6.406 -1.363 1.00 0.82 H new ATOM 0 HA GLU B 14 -6.996 -7.270 1.271 1.00 0.90 H new ATOM 0 HB2 GLU B 14 -8.939 -7.732 -0.537 1.00 0.98 H new ATOM 0 HB3 GLU B 14 -8.049 -9.233 -0.704 1.00 0.98 H new ATOM 0 HG2 GLU B 14 -9.126 -8.061 1.907 1.00 1.10 H new ATOM 0 HG3 GLU B 14 -9.786 -9.440 1.050 1.00 1.10 H new ATOM 1852 N THR B 15 -5.367 -9.122 -0.994 1.00 0.92 N ATOM 1853 CA THR B 15 -4.389 -10.211 -1.106 1.00 0.93 C ATOM 1854 C THR B 15 -3.087 -9.884 -0.346 1.00 0.92 C ATOM 1855 O THR B 15 -2.533 -10.716 0.375 1.00 0.96 O ATOM 1856 CB THR B 15 -4.209 -10.668 -2.568 1.00 0.93 C ATOM 1857 OG1 THR B 15 -3.783 -12.016 -2.637 1.00 1.18 O ATOM 1858 CG2 THR B 15 -3.296 -9.794 -3.431 1.00 0.97 C ATOM 0 H THR B 15 -5.749 -8.814 -1.888 1.00 0.92 H new ATOM 0 HA THR B 15 -4.783 -11.091 -0.599 1.00 0.93 H new ATOM 0 HB THR B 15 -5.206 -10.560 -2.996 1.00 0.93 H new ATOM 0 HG1 THR B 15 -2.862 -12.085 -2.308 1.00 1.18 H new ATOM 0 HG21 THR B 15 -3.242 -10.208 -4.438 1.00 0.97 H new ATOM 0 HG22 THR B 15 -3.698 -8.782 -3.476 1.00 0.97 H new ATOM 0 HG23 THR B 15 -2.297 -9.769 -2.995 1.00 0.97 H new ATOM 1866 N VAL B 16 -2.639 -8.629 -0.430 1.00 0.90 N ATOM 1867 CA VAL B 16 -1.485 -8.159 0.329 1.00 0.89 C ATOM 1868 C VAL B 16 -1.800 -8.035 1.829 1.00 0.89 C ATOM 1869 O VAL B 16 -0.985 -8.450 2.656 1.00 0.90 O ATOM 1870 CB VAL B 16 -0.886 -6.876 -0.279 1.00 0.86 C ATOM 1871 CG1 VAL B 16 -0.426 -7.131 -1.721 1.00 0.94 C ATOM 1872 CG2 VAL B 16 -1.846 -5.682 -0.260 1.00 0.81 C ATOM 0 H VAL B 16 -3.065 -7.917 -1.023 1.00 0.90 H new ATOM 0 HA VAL B 16 -0.706 -8.917 0.251 1.00 0.89 H new ATOM 0 HB VAL B 16 -0.037 -6.616 0.353 1.00 0.86 H new ATOM 0 HG11 VAL B 16 -0.005 -6.215 -2.136 1.00 0.94 H new ATOM 0 HG12 VAL B 16 0.332 -7.914 -1.728 1.00 0.94 H new ATOM 0 HG13 VAL B 16 -1.278 -7.445 -2.324 1.00 0.94 H new ATOM 0 HG21 VAL B 16 -1.357 -4.815 -0.703 1.00 0.81 H new ATOM 0 HG22 VAL B 16 -2.741 -5.926 -0.832 1.00 0.81 H new ATOM 0 HG23 VAL B 16 -2.124 -5.455 0.769 1.00 0.81 H new ATOM 1882 N VAL B 17 -2.966 -7.484 2.196 1.00 0.91 N ATOM 1883 CA VAL B 17 -3.419 -7.430 3.584 1.00 0.92 C ATOM 1884 C VAL B 17 -3.413 -8.828 4.199 1.00 0.95 C ATOM 1885 O VAL B 17 -2.730 -9.048 5.198 1.00 1.10 O ATOM 1886 CB VAL B 17 -4.775 -6.707 3.717 1.00 0.94 C ATOM 1887 CG1 VAL B 17 -5.430 -6.941 5.086 1.00 0.97 C ATOM 1888 CG2 VAL B 17 -4.570 -5.196 3.551 1.00 0.95 C ATOM 0 H VAL B 17 -3.619 -7.064 1.534 1.00 0.91 H new ATOM 0 HA VAL B 17 -2.715 -6.828 4.158 1.00 0.92 H new ATOM 0 HB VAL B 17 -5.426 -7.111 2.942 1.00 0.94 H new ATOM 0 HG11 VAL B 17 -6.382 -6.411 5.129 1.00 0.97 H new ATOM 0 HG12 VAL B 17 -5.602 -8.008 5.230 1.00 0.97 H new ATOM 0 HG13 VAL B 17 -4.772 -6.570 5.872 1.00 0.97 H new ATOM 0 HG21 VAL B 17 -5.529 -4.686 3.645 1.00 0.95 H new ATOM 0 HG22 VAL B 17 -3.889 -4.834 4.322 1.00 0.95 H new ATOM 0 HG23 VAL B 17 -4.146 -4.992 2.568 1.00 0.95 H new ATOM 1898 N THR B 18 -4.148 -9.780 3.622 1.00 0.88 N ATOM 1899 CA THR B 18 -4.170 -11.144 4.129 1.00 0.93 C ATOM 1900 C THR B 18 -2.752 -11.720 4.185 1.00 0.93 C ATOM 1901 O THR B 18 -2.371 -12.248 5.227 1.00 0.99 O ATOM 1902 CB THR B 18 -5.181 -12.025 3.381 1.00 1.03 C ATOM 1903 OG1 THR B 18 -5.285 -13.293 3.995 1.00 1.06 O ATOM 1904 CG2 THR B 18 -4.834 -12.212 1.908 1.00 1.17 C ATOM 0 H THR B 18 -4.735 -9.627 2.802 1.00 0.88 H new ATOM 0 HA THR B 18 -4.533 -11.128 5.157 1.00 0.93 H new ATOM 0 HB THR B 18 -6.135 -11.501 3.433 1.00 1.03 H new ATOM 0 HG1 THR B 18 -5.934 -13.841 3.506 1.00 1.06 H new ATOM 0 HG21 THR B 18 -5.586 -12.844 1.434 1.00 1.17 H new ATOM 0 HG22 THR B 18 -4.812 -11.241 1.413 1.00 1.17 H new ATOM 0 HG23 THR B 18 -3.856 -12.685 1.822 1.00 1.17 H new ATOM 1912 N THR B 19 -1.938 -11.584 3.127 1.00 0.92 N ATOM 1913 CA THR B 19 -0.592 -12.135 3.147 1.00 0.97 C ATOM 1914 C THR B 19 0.239 -11.565 4.299 1.00 1.08 C ATOM 1915 O THR B 19 0.914 -12.325 4.988 1.00 1.30 O ATOM 1916 CB THR B 19 0.078 -11.971 1.778 1.00 1.04 C ATOM 1917 OG1 THR B 19 -0.694 -12.680 0.836 1.00 1.02 O ATOM 1918 CG2 THR B 19 1.481 -12.586 1.759 1.00 1.11 C ATOM 0 H THR B 19 -2.191 -11.103 2.264 1.00 0.92 H new ATOM 0 HA THR B 19 -0.660 -13.206 3.339 1.00 0.97 H new ATOM 0 HB THR B 19 0.151 -10.907 1.555 1.00 1.04 H new ATOM 0 HG1 THR B 19 -1.440 -12.120 0.536 1.00 1.02 H new ATOM 0 HG21 THR B 19 1.924 -12.450 0.773 1.00 1.11 H new ATOM 0 HG22 THR B 19 2.104 -12.095 2.507 1.00 1.11 H new ATOM 0 HG23 THR B 19 1.415 -13.651 1.984 1.00 1.11 H new ATOM 1926 N PHE B 20 0.205 -10.251 4.555 1.00 1.01 N ATOM 1927 CA PHE B 20 0.923 -9.764 5.728 1.00 1.26 C ATOM 1928 C PHE B 20 0.273 -10.303 7.005 1.00 1.18 C ATOM 1929 O PHE B 20 0.972 -10.751 7.911 1.00 1.20 O ATOM 1930 CB PHE B 20 1.154 -8.245 5.711 1.00 1.72 C ATOM 1931 CG PHE B 20 0.045 -7.331 6.206 1.00 1.66 C ATOM 1932 CD1 PHE B 20 -0.188 -7.206 7.591 1.00 2.26 C ATOM 1933 CD2 PHE B 20 -0.497 -6.374 5.330 1.00 3.13 C ATOM 1934 CE1 PHE B 20 -0.883 -6.096 8.097 1.00 3.17 C ATOM 1935 CE2 PHE B 20 -1.231 -5.285 5.833 1.00 4.17 C ATOM 1936 CZ PHE B 20 -1.391 -5.125 7.219 1.00 3.91 C ATOM 0 H PHE B 20 -0.282 -9.547 4.001 1.00 1.01 H new ATOM 0 HA PHE B 20 1.937 -10.164 5.703 1.00 1.26 H new ATOM 0 HB2 PHE B 20 2.042 -8.039 6.308 1.00 1.72 H new ATOM 0 HB3 PHE B 20 1.386 -7.958 4.685 1.00 1.72 H new ATOM 0 HD1 PHE B 20 0.170 -7.969 8.267 1.00 2.26 H new ATOM 0 HD2 PHE B 20 -0.349 -6.476 4.265 1.00 3.13 H new ATOM 0 HE1 PHE B 20 -1.027 -5.989 9.162 1.00 3.17 H new ATOM 0 HE2 PHE B 20 -1.672 -4.571 5.153 1.00 4.17 H new ATOM 0 HZ PHE B 20 -1.903 -4.258 7.608 1.00 3.91 H new ATOM 1946 N PHE B 21 -1.058 -10.280 7.082 1.00 1.14 N ATOM 1947 CA PHE B 21 -1.815 -10.658 8.269 1.00 1.14 C ATOM 1948 C PHE B 21 -1.505 -12.097 8.710 1.00 1.06 C ATOM 1949 O PHE B 21 -1.240 -12.354 9.885 1.00 1.06 O ATOM 1950 CB PHE B 21 -3.313 -10.421 8.017 1.00 1.29 C ATOM 1951 CG PHE B 21 -4.244 -10.555 9.213 1.00 1.28 C ATOM 1952 CD1 PHE B 21 -3.918 -9.973 10.453 1.00 2.61 C ATOM 1953 CD2 PHE B 21 -5.491 -11.190 9.054 1.00 1.95 C ATOM 1954 CE1 PHE B 21 -4.802 -10.085 11.539 1.00 2.90 C ATOM 1955 CE2 PHE B 21 -6.388 -11.274 10.134 1.00 2.10 C ATOM 1956 CZ PHE B 21 -6.042 -10.724 11.380 1.00 1.98 C ATOM 0 H PHE B 21 -1.650 -9.991 6.303 1.00 1.14 H new ATOM 0 HA PHE B 21 -1.509 -10.027 9.103 1.00 1.14 H new ATOM 0 HB2 PHE B 21 -3.433 -9.419 7.605 1.00 1.29 H new ATOM 0 HB3 PHE B 21 -3.643 -11.122 7.251 1.00 1.29 H new ATOM 0 HD1 PHE B 21 -2.986 -9.439 10.569 1.00 2.61 H new ATOM 0 HD2 PHE B 21 -5.760 -11.615 8.098 1.00 1.95 H new ATOM 0 HE1 PHE B 21 -4.527 -9.678 12.501 1.00 2.90 H new ATOM 0 HE2 PHE B 21 -7.343 -11.761 10.006 1.00 2.10 H new ATOM 0 HZ PHE B 21 -6.727 -10.793 12.212 1.00 1.98 H new ATOM 1966 N THR B 22 -1.494 -13.046 7.771 1.00 1.08 N ATOM 1967 CA THR B 22 -1.192 -14.444 8.054 1.00 1.14 C ATOM 1968 C THR B 22 0.233 -14.617 8.595 1.00 1.13 C ATOM 1969 O THR B 22 0.499 -15.569 9.327 1.00 1.40 O ATOM 1970 CB THR B 22 -1.427 -15.286 6.795 1.00 1.30 C ATOM 1971 OG1 THR B 22 -0.736 -14.700 5.715 1.00 2.24 O ATOM 1972 CG2 THR B 22 -2.921 -15.372 6.461 1.00 1.77 C ATOM 0 H THR B 22 -1.696 -12.861 6.788 1.00 1.08 H new ATOM 0 HA THR B 22 -1.864 -14.795 8.837 1.00 1.14 H new ATOM 0 HB THR B 22 -1.059 -16.296 6.976 1.00 1.30 H new ATOM 0 HG1 THR B 22 -1.259 -13.951 5.360 1.00 2.24 H new ATOM 0 HG21 THR B 22 -3.059 -15.975 5.564 1.00 1.77 H new ATOM 0 HG22 THR B 22 -3.454 -15.832 7.293 1.00 1.77 H new ATOM 0 HG23 THR B 22 -3.314 -14.370 6.289 1.00 1.77 H new ATOM 1980 N PHE B 23 1.145 -13.697 8.272 1.00 0.97 N ATOM 1981 CA PHE B 23 2.458 -13.654 8.899 1.00 1.00 C ATOM 1982 C PHE B 23 2.377 -12.971 10.264 1.00 0.92 C ATOM 1983 O PHE B 23 2.881 -13.491 11.251 1.00 1.03 O ATOM 1984 CB PHE B 23 3.489 -13.034 7.949 1.00 1.16 C ATOM 1985 CG PHE B 23 4.056 -14.102 7.037 1.00 1.44 C ATOM 1986 CD1 PHE B 23 3.249 -14.621 6.007 1.00 2.59 C ATOM 1987 CD2 PHE B 23 5.149 -14.855 7.502 1.00 2.42 C ATOM 1988 CE1 PHE B 23 3.498 -15.902 5.487 1.00 3.41 C ATOM 1989 CE2 PHE B 23 5.394 -16.138 6.991 1.00 3.19 C ATOM 1990 CZ PHE B 23 4.566 -16.666 5.984 1.00 3.37 C ATOM 0 H PHE B 23 0.992 -12.969 7.574 1.00 0.97 H new ATOM 0 HA PHE B 23 2.807 -14.668 9.093 1.00 1.00 H new ATOM 0 HB2 PHE B 23 3.023 -12.247 7.356 1.00 1.16 H new ATOM 0 HB3 PHE B 23 4.291 -12.569 8.522 1.00 1.16 H new ATOM 0 HD1 PHE B 23 2.434 -14.031 5.614 1.00 2.59 H new ATOM 0 HD2 PHE B 23 5.803 -14.443 8.256 1.00 2.42 H new ATOM 0 HE1 PHE B 23 2.868 -16.299 4.705 1.00 3.41 H new ATOM 0 HE2 PHE B 23 6.220 -16.721 7.371 1.00 3.19 H new ATOM 0 HZ PHE B 23 4.751 -17.656 5.594 1.00 3.37 H new ATOM 2000 N ALA B 24 1.692 -11.836 10.333 1.00 0.83 N ATOM 2001 CA ALA B 24 1.500 -10.982 11.491 1.00 0.81 C ATOM 2002 C ALA B 24 0.871 -11.735 12.655 1.00 0.89 C ATOM 2003 O ALA B 24 1.098 -11.358 13.813 1.00 0.94 O ATOM 2004 CB ALA B 24 0.621 -9.799 11.081 1.00 0.91 C ATOM 0 H ALA B 24 1.219 -11.462 9.511 1.00 0.83 H new ATOM 0 HA ALA B 24 2.473 -10.630 11.834 1.00 0.81 H new ATOM 0 HB1 ALA B 24 0.466 -9.146 11.940 1.00 0.91 H new ATOM 0 HB2 ALA B 24 1.112 -9.240 10.284 1.00 0.91 H new ATOM 0 HB3 ALA B 24 -0.342 -10.167 10.727 1.00 0.91 H new ATOM 2010 N ARG B 25 0.129 -12.807 12.349 1.00 0.98 N ATOM 2011 CA ARG B 25 -0.400 -13.754 13.318 1.00 1.17 C ATOM 2012 C ARG B 25 0.667 -14.142 14.346 1.00 1.18 C ATOM 2013 O ARG B 25 0.329 -14.383 15.502 1.00 1.41 O ATOM 2014 CB ARG B 25 -1.046 -14.977 12.629 1.00 1.35 C ATOM 2015 CG ARG B 25 -0.049 -16.110 12.386 1.00 1.63 C ATOM 2016 CD ARG B 25 -0.598 -17.311 11.612 1.00 2.31 C ATOM 2017 NE ARG B 25 0.510 -18.250 11.377 1.00 2.78 N ATOM 2018 CZ ARG B 25 0.620 -19.158 10.399 1.00 3.69 C ATOM 2019 NH1 ARG B 25 -0.423 -19.440 9.614 1.00 4.42 N ATOM 2020 NH2 ARG B 25 1.796 -19.769 10.233 1.00 4.28 N ATOM 0 H ARG B 25 -0.123 -13.039 11.388 1.00 0.98 H new ATOM 0 HA ARG B 25 -1.202 -13.262 13.869 1.00 1.17 H new ATOM 0 HB2 ARG B 25 -1.866 -15.346 13.246 1.00 1.35 H new ATOM 0 HB3 ARG B 25 -1.477 -14.667 11.677 1.00 1.35 H new ATOM 0 HG2 ARG B 25 0.806 -15.709 11.842 1.00 1.63 H new ATOM 0 HG3 ARG B 25 0.321 -16.459 13.350 1.00 1.63 H new ATOM 0 HD2 ARG B 25 -1.394 -17.796 12.177 1.00 2.31 H new ATOM 0 HD3 ARG B 25 -1.030 -16.988 10.665 1.00 2.31 H new ATOM 0 HE ARG B 25 1.286 -18.204 12.037 1.00 2.78 H new ATOM 0 HH11 ARG B 25 -1.313 -18.962 9.757 1.00 4.42 H new ATOM 0 HH12 ARG B 25 -0.330 -20.133 8.872 1.00 4.42 H new ATOM 0 HH21 ARG B 25 2.581 -19.539 10.843 1.00 4.28 H new ATOM 0 HH22 ARG B 25 1.910 -20.465 9.496 1.00 4.28 H new ATOM 2034 N GLN B 26 1.924 -14.277 13.900 1.00 1.07 N ATOM 2035 CA GLN B 26 2.763 -15.338 14.441 1.00 1.21 C ATOM 2036 C GLN B 26 3.044 -15.294 15.950 1.00 1.34 C ATOM 2037 O GLN B 26 2.596 -16.198 16.653 1.00 1.55 O ATOM 2038 CB GLN B 26 4.097 -15.302 13.680 1.00 1.20 C ATOM 2039 CG GLN B 26 4.554 -16.612 13.065 1.00 1.50 C ATOM 2040 CD GLN B 26 3.587 -17.137 12.000 1.00 1.84 C ATOM 2041 OE1 GLN B 26 3.183 -18.300 12.014 1.00 2.08 O ATOM 2042 NE2 GLN B 26 3.149 -16.283 11.081 1.00 2.68 N ATOM 0 H GLN B 26 2.363 -13.687 13.194 1.00 1.07 H new ATOM 0 HA GLN B 26 2.200 -16.261 14.304 1.00 1.21 H new ATOM 0 HB2 GLN B 26 4.018 -14.560 12.886 1.00 1.20 H new ATOM 0 HB3 GLN B 26 4.872 -14.956 14.364 1.00 1.20 H new ATOM 0 HG2 GLN B 26 5.539 -16.474 12.619 1.00 1.50 H new ATOM 0 HG3 GLN B 26 4.662 -17.359 13.851 1.00 1.50 H new ATOM 0 HE21 GLN B 26 3.488 -15.321 11.076 1.00 2.68 H new ATOM 0 HE22 GLN B 26 2.474 -16.589 10.381 1.00 2.68 H new ATOM 2051 N GLU B 27 3.837 -14.330 16.438 1.00 1.30 N ATOM 2052 CA GLU B 27 4.340 -14.448 17.805 1.00 1.42 C ATOM 2053 C GLU B 27 3.455 -13.758 18.840 1.00 1.35 C ATOM 2054 O GLU B 27 2.694 -14.386 19.572 1.00 1.49 O ATOM 2055 CB GLU B 27 5.774 -13.908 17.839 1.00 1.61 C ATOM 2056 CG GLU B 27 6.728 -14.746 16.975 1.00 2.08 C ATOM 2057 CD GLU B 27 8.147 -14.210 17.089 1.00 2.70 C ATOM 2058 OE1 GLU B 27 8.281 -12.976 17.239 1.00 2.90 O ATOM 2059 OE2 GLU B 27 9.079 -15.041 17.027 1.00 3.59 O ATOM 0 H GLU B 27 4.132 -13.496 15.930 1.00 1.30 H new ATOM 0 HA GLU B 27 4.326 -15.501 18.085 1.00 1.42 H new ATOM 0 HB2 GLU B 27 5.781 -12.876 17.489 1.00 1.61 H new ATOM 0 HB3 GLU B 27 6.133 -13.898 18.868 1.00 1.61 H new ATOM 0 HG2 GLU B 27 6.698 -15.788 17.293 1.00 2.08 H new ATOM 0 HG3 GLU B 27 6.405 -14.721 15.934 1.00 2.08 H new ATOM 2066 N GLY B 28 3.529 -12.426 18.847 1.00 1.57 N ATOM 2067 CA GLY B 28 2.602 -11.518 19.488 1.00 1.77 C ATOM 2068 C GLY B 28 1.494 -11.168 18.514 1.00 1.33 C ATOM 2069 O GLY B 28 1.775 -11.077 17.318 1.00 1.32 O ATOM 0 H GLY B 28 4.286 -11.932 18.375 1.00 1.57 H new ATOM 0 HA2 GLY B 28 2.184 -11.978 20.383 1.00 1.77 H new ATOM 0 HA3 GLY B 28 3.121 -10.614 19.807 1.00 1.77 H new ATOM 2073 N ARG B 29 0.308 -10.831 19.033 1.00 1.39 N ATOM 2074 CA ARG B 29 -0.620 -9.861 18.453 1.00 1.33 C ATOM 2075 C ARG B 29 -0.787 -9.989 16.933 1.00 1.16 C ATOM 2076 O ARG B 29 0.056 -9.543 16.139 1.00 1.03 O ATOM 2077 CB ARG B 29 -0.168 -8.458 18.867 1.00 1.40 C ATOM 2078 CG ARG B 29 -1.308 -7.436 18.941 1.00 2.05 C ATOM 2079 CD ARG B 29 -0.675 -6.094 19.319 1.00 2.01 C ATOM 2080 NE ARG B 29 -1.659 -5.102 19.769 1.00 2.77 N ATOM 2081 CZ ARG B 29 -1.320 -3.952 20.376 1.00 3.28 C ATOM 2082 NH1 ARG B 29 -0.035 -3.595 20.485 1.00 3.82 N ATOM 2083 NH2 ARG B 29 -2.276 -3.161 20.879 1.00 4.05 N ATOM 0 H ARG B 29 -0.042 -11.242 19.899 1.00 1.39 H new ATOM 0 HA ARG B 29 -1.616 -10.067 18.845 1.00 1.33 H new ATOM 0 HB2 ARG B 29 0.319 -8.516 19.841 1.00 1.40 H new ATOM 0 HB3 ARG B 29 0.580 -8.103 18.157 1.00 1.40 H new ATOM 0 HG2 ARG B 29 -1.825 -7.364 17.984 1.00 2.05 H new ATOM 0 HG3 ARG B 29 -2.049 -7.736 19.682 1.00 2.05 H new ATOM 0 HD2 ARG B 29 0.058 -6.254 20.109 1.00 2.01 H new ATOM 0 HD3 ARG B 29 -0.135 -5.698 18.459 1.00 2.01 H new ATOM 0 HE ARG B 29 -2.648 -5.295 19.613 1.00 2.77 H new ATOM 0 HH11 ARG B 29 0.696 -4.197 20.106 1.00 3.82 H new ATOM 0 HH12 ARG B 29 0.214 -2.720 20.947 1.00 3.82 H new ATOM 0 HH21 ARG B 29 -3.256 -3.432 20.800 1.00 4.05 H new ATOM 0 HH22 ARG B 29 -2.024 -2.287 21.341 1.00 4.05 H new ATOM 2097 N LYS B 30 -1.882 -10.623 16.515 1.00 1.26 N ATOM 2098 CA LYS B 30 -2.039 -11.016 15.128 1.00 1.23 C ATOM 2099 C LYS B 30 -2.032 -9.854 14.134 1.00 1.31 C ATOM 2100 O LYS B 30 -1.718 -10.054 12.967 1.00 2.30 O ATOM 2101 CB LYS B 30 -3.214 -11.986 14.941 1.00 1.44 C ATOM 2102 CG LYS B 30 -4.582 -11.481 15.416 1.00 1.69 C ATOM 2103 CD LYS B 30 -5.580 -12.633 15.232 1.00 1.98 C ATOM 2104 CE LYS B 30 -6.969 -12.290 15.784 1.00 2.56 C ATOM 2105 NZ LYS B 30 -7.884 -13.450 15.708 1.00 3.41 N ATOM 0 H LYS B 30 -2.666 -10.871 17.118 1.00 1.26 H new ATOM 0 HA LYS B 30 -1.135 -11.569 14.872 1.00 1.23 H new ATOM 0 HB2 LYS B 30 -3.288 -12.236 13.883 1.00 1.44 H new ATOM 0 HB3 LYS B 30 -2.985 -12.910 15.472 1.00 1.44 H new ATOM 0 HG2 LYS B 30 -4.537 -11.174 16.461 1.00 1.69 H new ATOM 0 HG3 LYS B 30 -4.891 -10.609 14.840 1.00 1.69 H new ATOM 0 HD2 LYS B 30 -5.662 -12.875 14.172 1.00 1.98 H new ATOM 0 HD3 LYS B 30 -5.201 -13.523 15.734 1.00 1.98 H new ATOM 0 HE2 LYS B 30 -6.879 -11.963 16.820 1.00 2.56 H new ATOM 0 HE3 LYS B 30 -7.389 -11.456 15.222 1.00 2.56 H new ATOM 0 HZ1 LYS B 30 -8.814 -13.184 16.089 1.00 3.41 H new ATOM 0 HZ2 LYS B 30 -7.988 -13.746 14.716 1.00 3.41 H new ATOM 0 HZ3 LYS B 30 -7.494 -14.237 16.265 1.00 3.41 H new ATOM 2119 N ASP B 31 -2.341 -8.641 14.590 1.00 1.33 N ATOM 2120 CA ASP B 31 -2.305 -7.458 13.743 1.00 1.41 C ATOM 2121 C ASP B 31 -0.880 -6.946 13.512 1.00 1.38 C ATOM 2122 O ASP B 31 -0.635 -6.273 12.514 1.00 1.48 O ATOM 2123 CB ASP B 31 -3.214 -6.368 14.333 1.00 1.71 C ATOM 2124 CG ASP B 31 -4.656 -6.545 13.879 1.00 3.00 C ATOM 2125 OD1 ASP B 31 -5.098 -7.712 13.758 1.00 4.09 O ATOM 2126 OD2 ASP B 31 -5.296 -5.525 13.535 1.00 3.91 O ATOM 0 H ASP B 31 -2.622 -8.455 15.553 1.00 1.33 H new ATOM 0 HA ASP B 31 -2.684 -7.736 12.760 1.00 1.41 H new ATOM 0 HB2 ASP B 31 -3.166 -6.402 15.421 1.00 1.71 H new ATOM 0 HB3 ASP B 31 -2.853 -5.386 14.028 1.00 1.71 H new ATOM 2131 N SER B 32 0.061 -7.220 14.423 1.00 1.41 N ATOM 2132 CA SER B 32 1.395 -6.634 14.349 1.00 1.38 C ATOM 2133 C SER B 32 2.286 -7.435 13.415 1.00 1.45 C ATOM 2134 O SER B 32 2.276 -8.662 13.521 1.00 1.61 O ATOM 2135 CB SER B 32 2.042 -6.624 15.738 1.00 1.78 C ATOM 2136 OG SER B 32 2.288 -7.922 16.269 1.00 2.70 O ATOM 0 H SER B 32 -0.081 -7.844 15.217 1.00 1.41 H new ATOM 0 HA SER B 32 1.291 -5.617 13.971 1.00 1.38 H new ATOM 0 HB2 SER B 32 2.985 -6.079 15.685 1.00 1.78 H new ATOM 0 HB3 SER B 32 1.396 -6.077 16.425 1.00 1.78 H new ATOM 2142 N LEU B 33 3.141 -6.773 12.634 1.00 1.40 N ATOM 2143 CA LEU B 33 4.408 -7.378 12.244 1.00 1.31 C ATOM 2144 C LEU B 33 5.437 -6.910 13.274 1.00 1.23 C ATOM 2145 O LEU B 33 5.701 -5.710 13.352 1.00 1.48 O ATOM 2146 CB LEU B 33 4.865 -6.949 10.839 1.00 1.20 C ATOM 2147 CG LEU B 33 3.997 -7.348 9.639 1.00 1.40 C ATOM 2148 CD1 LEU B 33 3.883 -8.864 9.471 1.00 2.09 C ATOM 2149 CD2 LEU B 33 2.623 -6.672 9.668 1.00 1.97 C ATOM 0 H LEU B 33 2.981 -5.835 12.266 1.00 1.40 H new ATOM 0 HA LEU B 33 4.299 -8.462 12.214 1.00 1.31 H new ATOM 0 HB2 LEU B 33 4.957 -5.863 10.836 1.00 1.20 H new ATOM 0 HB3 LEU B 33 5.864 -7.354 10.676 1.00 1.20 H new ATOM 0 HG LEU B 33 4.516 -6.978 8.755 1.00 1.40 H new ATOM 0 HD11 LEU B 33 3.258 -9.088 8.607 1.00 2.09 H new ATOM 0 HD12 LEU B 33 4.875 -9.289 9.321 1.00 2.09 H new ATOM 0 HD13 LEU B 33 3.435 -9.296 10.365 1.00 2.09 H new ATOM 0 HD21 LEU B 33 2.045 -6.985 8.799 1.00 1.97 H new ATOM 0 HD22 LEU B 33 2.095 -6.959 10.577 1.00 1.97 H new ATOM 0 HD23 LEU B 33 2.750 -5.590 9.649 1.00 1.97 H new ATOM 2161 N SER B 34 6.000 -7.828 14.064 1.00 1.27 N ATOM 2162 CA SER B 34 7.245 -7.596 14.794 1.00 1.18 C ATOM 2163 C SER B 34 8.413 -8.241 14.040 1.00 1.22 C ATOM 2164 O SER B 34 8.230 -8.863 12.992 1.00 1.55 O ATOM 2165 CB SER B 34 7.151 -8.092 16.239 1.00 1.37 C ATOM 2166 OG SER B 34 8.251 -7.573 16.965 1.00 2.16 O ATOM 0 H SER B 34 5.602 -8.755 14.214 1.00 1.27 H new ATOM 0 HA SER B 34 7.424 -6.522 14.850 1.00 1.18 H new ATOM 0 HB2 SER B 34 6.213 -7.769 16.690 1.00 1.37 H new ATOM 0 HB3 SER B 34 7.159 -9.182 16.267 1.00 1.37 H new ATOM 0 HG SER B 34 8.135 -6.608 17.090 1.00 2.16 H new ATOM 2172 N VAL B 35 9.639 -8.090 14.536 1.00 1.11 N ATOM 2173 CA VAL B 35 10.820 -8.552 13.809 1.00 1.16 C ATOM 2174 C VAL B 35 11.108 -10.030 14.091 1.00 1.20 C ATOM 2175 O VAL B 35 12.257 -10.429 14.252 1.00 2.08 O ATOM 2176 CB VAL B 35 12.000 -7.623 14.162 1.00 1.40 C ATOM 2177 CG1 VAL B 35 12.466 -7.704 15.624 1.00 1.64 C ATOM 2178 CG2 VAL B 35 13.189 -7.740 13.197 1.00 2.55 C ATOM 0 H VAL B 35 9.841 -7.653 15.435 1.00 1.11 H new ATOM 0 HA VAL B 35 10.649 -8.497 12.734 1.00 1.16 H new ATOM 0 HB VAL B 35 11.574 -6.628 14.034 1.00 1.40 H new ATOM 0 HG11 VAL B 35 13.298 -7.017 15.779 1.00 1.64 H new ATOM 0 HG12 VAL B 35 11.642 -7.431 16.284 1.00 1.64 H new ATOM 0 HG13 VAL B 35 12.788 -8.721 15.847 1.00 1.64 H new ATOM 0 HG21 VAL B 35 13.979 -7.057 13.509 1.00 2.55 H new ATOM 0 HG22 VAL B 35 13.567 -8.762 13.208 1.00 2.55 H new ATOM 0 HG23 VAL B 35 12.865 -7.484 12.188 1.00 2.55 H new ATOM 2188 N ASN B 36 10.083 -10.871 13.941 1.00 1.42 N ATOM 2189 CA ASN B 36 10.222 -12.253 13.501 1.00 1.40 C ATOM 2190 C ASN B 36 8.857 -12.705 12.975 1.00 1.39 C ATOM 2191 O ASN B 36 8.309 -13.735 13.353 1.00 1.74 O ATOM 2192 CB ASN B 36 10.746 -13.115 14.649 1.00 1.75 C ATOM 2193 CG ASN B 36 11.070 -14.529 14.175 1.00 2.05 C ATOM 2194 OD1 ASN B 36 11.688 -14.704 13.127 1.00 2.54 O ATOM 2195 ND2 ASN B 36 10.675 -15.548 14.927 1.00 2.40 N ATOM 0 H ASN B 36 9.117 -10.602 14.126 1.00 1.42 H new ATOM 0 HA ASN B 36 10.951 -12.354 12.697 1.00 1.40 H new ATOM 0 HB2 ASN B 36 11.640 -12.657 15.072 1.00 1.75 H new ATOM 0 HB3 ASN B 36 10.002 -13.157 15.445 1.00 1.75 H new ATOM 0 HD21 ASN B 36 10.883 -16.504 14.640 1.00 2.40 H new ATOM 0 HD22 ASN B 36 10.164 -15.375 15.792 1.00 2.40 H new ATOM 2202 N GLU B 37 8.362 -11.886 12.051 1.00 1.24 N ATOM 2203 CA GLU B 37 7.061 -11.890 11.393 1.00 1.24 C ATOM 2204 C GLU B 37 7.295 -11.058 10.142 1.00 1.19 C ATOM 2205 O GLU B 37 7.116 -11.509 9.014 1.00 1.27 O ATOM 2206 CB GLU B 37 5.993 -11.188 12.257 1.00 1.26 C ATOM 2207 CG GLU B 37 5.395 -12.088 13.333 1.00 0.89 C ATOM 2208 CD GLU B 37 4.543 -11.335 14.352 1.00 0.91 C ATOM 2209 OE1 GLU B 37 4.497 -10.085 14.375 1.00 1.38 O ATOM 2210 OE2 GLU B 37 3.737 -11.942 15.087 1.00 1.63 O ATOM 0 H GLU B 37 8.932 -11.113 11.706 1.00 1.24 H new ATOM 0 HA GLU B 37 6.704 -12.902 11.203 1.00 1.24 H new ATOM 0 HB2 GLU B 37 6.438 -10.314 12.732 1.00 1.26 H new ATOM 0 HB3 GLU B 37 5.193 -10.827 11.610 1.00 1.26 H new ATOM 0 HG2 GLU B 37 4.784 -12.855 12.856 1.00 0.89 H new ATOM 0 HG3 GLU B 37 6.202 -12.602 13.855 1.00 0.89 H new ATOM 2217 N PHE B 38 7.783 -9.836 10.375 1.00 1.09 N ATOM 2218 CA PHE B 38 8.287 -8.986 9.322 1.00 0.95 C ATOM 2219 C PHE B 38 9.445 -9.687 8.604 1.00 0.85 C ATOM 2220 O PHE B 38 9.443 -9.772 7.379 1.00 0.77 O ATOM 2221 CB PHE B 38 8.713 -7.634 9.913 1.00 0.95 C ATOM 2222 CG PHE B 38 8.521 -6.464 8.967 1.00 0.90 C ATOM 2223 CD1 PHE B 38 9.028 -6.511 7.655 1.00 1.74 C ATOM 2224 CD2 PHE B 38 7.748 -5.361 9.373 1.00 2.00 C ATOM 2225 CE1 PHE B 38 8.721 -5.492 6.742 1.00 1.79 C ATOM 2226 CE2 PHE B 38 7.442 -4.341 8.456 1.00 2.21 C ATOM 2227 CZ PHE B 38 7.898 -4.426 7.135 1.00 1.36 C ATOM 0 H PHE B 38 7.835 -9.419 11.304 1.00 1.09 H new ATOM 0 HA PHE B 38 7.506 -8.797 8.585 1.00 0.95 H new ATOM 0 HB2 PHE B 38 8.143 -7.450 10.823 1.00 0.95 H new ATOM 0 HB3 PHE B 38 9.763 -7.688 10.200 1.00 0.95 H new ATOM 0 HD1 PHE B 38 9.656 -7.335 7.350 1.00 1.74 H new ATOM 0 HD2 PHE B 38 7.390 -5.298 10.390 1.00 2.00 H new ATOM 0 HE1 PHE B 38 9.117 -5.528 5.738 1.00 1.79 H new ATOM 0 HE2 PHE B 38 6.855 -3.491 8.770 1.00 2.21 H new ATOM 0 HZ PHE B 38 7.616 -3.670 6.417 1.00 1.36 H new ATOM 2237 N LYS B 39 10.441 -10.194 9.347 1.00 0.93 N ATOM 2238 CA LYS B 39 11.651 -10.698 8.707 1.00 0.84 C ATOM 2239 C LYS B 39 11.299 -11.877 7.808 1.00 0.77 C ATOM 2240 O LYS B 39 11.658 -11.885 6.634 1.00 0.75 O ATOM 2241 CB LYS B 39 12.784 -10.992 9.701 1.00 0.96 C ATOM 2242 CG LYS B 39 14.089 -11.180 8.902 1.00 0.92 C ATOM 2243 CD LYS B 39 15.347 -11.342 9.775 1.00 1.25 C ATOM 2244 CE LYS B 39 15.617 -10.150 10.714 1.00 2.49 C ATOM 2245 NZ LYS B 39 17.057 -9.828 10.821 1.00 2.81 N ATOM 0 H LYS B 39 10.429 -10.262 10.365 1.00 0.93 H new ATOM 0 HA LYS B 39 12.062 -9.910 8.076 1.00 0.84 H new ATOM 0 HB2 LYS B 39 12.888 -10.172 10.412 1.00 0.96 H new ATOM 0 HB3 LYS B 39 12.560 -11.889 10.279 1.00 0.96 H new ATOM 0 HG2 LYS B 39 13.988 -12.058 8.264 1.00 0.92 H new ATOM 0 HG3 LYS B 39 14.225 -10.322 8.244 1.00 0.92 H new ATOM 0 HD2 LYS B 39 15.247 -12.247 10.374 1.00 1.25 H new ATOM 0 HD3 LYS B 39 16.211 -11.483 9.126 1.00 1.25 H new ATOM 0 HE2 LYS B 39 15.079 -9.275 10.349 1.00 2.49 H new ATOM 0 HE3 LYS B 39 15.224 -10.376 11.705 1.00 2.49 H new ATOM 0 HZ1 LYS B 39 17.170 -8.843 11.134 1.00 2.81 H new ATOM 0 HZ2 LYS B 39 17.505 -10.464 11.511 1.00 2.81 H new ATOM 0 HZ3 LYS B 39 17.510 -9.950 9.893 1.00 2.81 H new ATOM 2259 N GLU B 40 10.514 -12.812 8.343 1.00 0.82 N ATOM 2260 CA GLU B 40 9.880 -13.859 7.564 1.00 0.84 C ATOM 2261 C GLU B 40 9.359 -13.342 6.223 1.00 0.72 C ATOM 2262 O GLU B 40 9.642 -13.941 5.195 1.00 0.73 O ATOM 2263 CB GLU B 40 8.735 -14.475 8.377 1.00 1.01 C ATOM 2264 CG GLU B 40 9.224 -15.692 9.164 1.00 1.74 C ATOM 2265 CD GLU B 40 8.923 -16.972 8.383 1.00 3.08 C ATOM 2266 OE1 GLU B 40 9.527 -17.145 7.299 1.00 4.26 O ATOM 2267 OE2 GLU B 40 8.027 -17.716 8.832 1.00 3.77 O ATOM 0 H GLU B 40 10.302 -12.859 9.340 1.00 0.82 H new ATOM 0 HA GLU B 40 10.631 -14.618 7.345 1.00 0.84 H new ATOM 0 HB2 GLU B 40 8.328 -13.732 9.063 1.00 1.01 H new ATOM 0 HB3 GLU B 40 7.925 -14.769 7.709 1.00 1.01 H new ATOM 0 HG2 GLU B 40 10.295 -15.611 9.347 1.00 1.74 H new ATOM 0 HG3 GLU B 40 8.736 -15.726 10.138 1.00 1.74 H new ATOM 2274 N LEU B 41 8.631 -12.224 6.205 1.00 0.72 N ATOM 2275 CA LEU B 41 7.979 -11.763 4.993 1.00 0.69 C ATOM 2276 C LEU B 41 9.038 -11.548 3.912 1.00 0.64 C ATOM 2277 O LEU B 41 8.919 -12.044 2.792 1.00 0.65 O ATOM 2278 CB LEU B 41 7.210 -10.465 5.283 1.00 0.71 C ATOM 2279 CG LEU B 41 6.166 -10.167 4.197 1.00 0.74 C ATOM 2280 CD1 LEU B 41 4.799 -10.724 4.612 1.00 1.95 C ATOM 2281 CD2 LEU B 41 6.060 -8.657 3.974 1.00 1.58 C ATOM 0 H LEU B 41 8.482 -11.627 7.018 1.00 0.72 H new ATOM 0 HA LEU B 41 7.265 -12.507 4.640 1.00 0.69 H new ATOM 0 HB2 LEU B 41 6.715 -10.544 6.251 1.00 0.71 H new ATOM 0 HB3 LEU B 41 7.912 -9.634 5.351 1.00 0.71 H new ATOM 0 HG LEU B 41 6.479 -10.646 3.269 1.00 0.74 H new ATOM 0 HD11 LEU B 41 4.066 -10.507 3.835 1.00 1.95 H new ATOM 0 HD12 LEU B 41 4.872 -11.803 4.750 1.00 1.95 H new ATOM 0 HD13 LEU B 41 4.485 -10.259 5.546 1.00 1.95 H new ATOM 0 HD21 LEU B 41 5.317 -8.454 3.202 1.00 1.58 H new ATOM 0 HD22 LEU B 41 5.759 -8.172 4.903 1.00 1.58 H new ATOM 0 HD23 LEU B 41 7.028 -8.267 3.658 1.00 1.58 H new ATOM 2293 N VAL B 42 10.101 -10.829 4.278 1.00 0.61 N ATOM 2294 CA VAL B 42 11.128 -10.423 3.340 1.00 0.57 C ATOM 2295 C VAL B 42 12.001 -11.618 2.976 1.00 0.55 C ATOM 2296 O VAL B 42 12.150 -11.945 1.801 1.00 0.64 O ATOM 2297 CB VAL B 42 11.914 -9.208 3.859 1.00 0.57 C ATOM 2298 CG1 VAL B 42 11.086 -7.917 3.719 1.00 0.61 C ATOM 2299 CG2 VAL B 42 12.426 -9.306 5.285 1.00 0.59 C ATOM 0 H VAL B 42 10.266 -10.516 5.235 1.00 0.61 H new ATOM 0 HA VAL B 42 10.663 -10.083 2.415 1.00 0.57 H new ATOM 0 HB VAL B 42 12.799 -9.187 3.224 1.00 0.57 H new ATOM 0 HG11 VAL B 42 11.664 -7.072 4.093 1.00 0.61 H new ATOM 0 HG12 VAL B 42 10.842 -7.754 2.669 1.00 0.61 H new ATOM 0 HG13 VAL B 42 10.166 -8.011 4.295 1.00 0.61 H new ATOM 0 HG21 VAL B 42 12.964 -8.394 5.542 1.00 0.59 H new ATOM 0 HG22 VAL B 42 11.584 -9.435 5.966 1.00 0.59 H new ATOM 0 HG23 VAL B 42 13.097 -10.160 5.373 1.00 0.59 H new ATOM 2309 N THR B 43 12.557 -12.278 3.989 1.00 0.56 N ATOM 2310 CA THR B 43 13.416 -13.436 3.844 1.00 0.67 C ATOM 2311 C THR B 43 12.742 -14.511 2.991 1.00 0.77 C ATOM 2312 O THR B 43 13.374 -15.091 2.111 1.00 0.91 O ATOM 2313 CB THR B 43 13.745 -13.926 5.258 1.00 0.72 C ATOM 2314 OG1 THR B 43 14.332 -12.871 5.997 1.00 0.73 O ATOM 2315 CG2 THR B 43 14.707 -15.117 5.260 1.00 0.97 C ATOM 0 H THR B 43 12.413 -12.008 4.962 1.00 0.56 H new ATOM 0 HA THR B 43 14.338 -13.184 3.320 1.00 0.67 H new ATOM 0 HB THR B 43 12.808 -14.251 5.710 1.00 0.72 H new ATOM 0 HG1 THR B 43 14.943 -12.368 5.420 1.00 0.73 H new ATOM 0 HG21 THR B 43 14.905 -15.423 6.287 1.00 0.97 H new ATOM 0 HG22 THR B 43 14.259 -15.947 4.714 1.00 0.97 H new ATOM 0 HG23 THR B 43 15.642 -14.830 4.780 1.00 0.97 H new ATOM 2323 N GLN B 44 11.470 -14.796 3.272 1.00 0.75 N ATOM 2324 CA GLN B 44 10.745 -15.876 2.636 1.00 0.85 C ATOM 2325 C GLN B 44 10.230 -15.458 1.253 1.00 0.98 C ATOM 2326 O GLN B 44 10.558 -16.089 0.252 1.00 1.10 O ATOM 2327 CB GLN B 44 9.603 -16.277 3.580 1.00 0.85 C ATOM 2328 CG GLN B 44 8.943 -17.610 3.245 1.00 0.98 C ATOM 2329 CD GLN B 44 7.672 -17.751 4.071 1.00 1.09 C ATOM 2330 OE1 GLN B 44 6.572 -17.718 3.522 1.00 1.91 O ATOM 2331 NE2 GLN B 44 7.783 -17.845 5.390 1.00 1.44 N ATOM 0 H GLN B 44 10.918 -14.275 3.953 1.00 0.75 H new ATOM 0 HA GLN B 44 11.399 -16.731 2.464 1.00 0.85 H new ATOM 0 HB2 GLN B 44 9.990 -16.323 4.598 1.00 0.85 H new ATOM 0 HB3 GLN B 44 8.843 -15.496 3.563 1.00 0.85 H new ATOM 0 HG2 GLN B 44 8.709 -17.658 2.182 1.00 0.98 H new ATOM 0 HG3 GLN B 44 9.625 -18.433 3.459 1.00 0.98 H new ATOM 0 HE21 GLN B 44 8.706 -17.871 5.824 1.00 1.44 H new ATOM 0 HE22 GLN B 44 6.945 -17.892 5.970 1.00 1.44 H new ATOM 2340 N GLN B 45 9.353 -14.448 1.206 1.00 1.00 N ATOM 2341 CA GLN B 45 8.528 -14.194 0.028 1.00 1.13 C ATOM 2342 C GLN B 45 9.187 -13.363 -1.075 1.00 1.10 C ATOM 2343 O GLN B 45 8.940 -13.650 -2.243 1.00 1.22 O ATOM 2344 CB GLN B 45 7.165 -13.631 0.441 1.00 1.23 C ATOM 2345 CG GLN B 45 6.357 -14.688 1.219 1.00 1.72 C ATOM 2346 CD GLN B 45 5.740 -14.143 2.501 1.00 2.21 C ATOM 2347 OE1 GLN B 45 5.290 -13.003 2.550 1.00 3.09 O ATOM 2348 NE2 GLN B 45 5.707 -14.956 3.551 1.00 3.47 N ATOM 0 H GLN B 45 9.199 -13.794 1.974 1.00 1.00 H new ATOM 0 HA GLN B 45 8.389 -15.168 -0.442 1.00 1.13 H new ATOM 0 HB2 GLN B 45 7.304 -12.744 1.059 1.00 1.23 H new ATOM 0 HB3 GLN B 45 6.610 -13.320 -0.444 1.00 1.23 H new ATOM 0 HG2 GLN B 45 5.565 -15.076 0.578 1.00 1.72 H new ATOM 0 HG3 GLN B 45 7.008 -15.527 1.464 1.00 1.72 H new ATOM 0 HE21 GLN B 45 6.090 -15.899 3.478 1.00 3.47 H new ATOM 0 HE22 GLN B 45 5.299 -14.638 4.430 1.00 3.47 H new ATOM 2357 N LEU B 46 9.915 -12.292 -0.726 1.00 0.99 N ATOM 2358 CA LEU B 46 10.151 -11.146 -1.622 1.00 0.90 C ATOM 2359 C LEU B 46 10.514 -11.501 -3.070 1.00 1.16 C ATOM 2360 O LEU B 46 9.908 -10.936 -3.971 1.00 1.49 O ATOM 2361 CB LEU B 46 11.085 -10.107 -0.986 1.00 1.19 C ATOM 2362 CG LEU B 46 10.347 -8.961 -0.261 1.00 1.04 C ATOM 2363 CD1 LEU B 46 10.031 -7.812 -1.219 1.00 1.97 C ATOM 2364 CD2 LEU B 46 9.039 -9.356 0.446 1.00 1.53 C ATOM 0 H LEU B 46 10.358 -12.194 0.187 1.00 0.99 H new ATOM 0 HA LEU B 46 9.175 -10.673 -1.734 1.00 0.90 H new ATOM 0 HB2 LEU B 46 11.741 -10.610 -0.276 1.00 1.19 H new ATOM 0 HB3 LEU B 46 11.721 -9.682 -1.762 1.00 1.19 H new ATOM 0 HG LEU B 46 11.052 -8.660 0.514 1.00 1.04 H new ATOM 0 HD11 LEU B 46 9.511 -7.020 -0.679 1.00 1.97 H new ATOM 0 HD12 LEU B 46 10.959 -7.419 -1.635 1.00 1.97 H new ATOM 0 HD13 LEU B 46 9.397 -8.176 -2.027 1.00 1.97 H new ATOM 0 HD21 LEU B 46 8.603 -8.478 0.922 1.00 1.53 H new ATOM 0 HD22 LEU B 46 8.337 -9.758 -0.285 1.00 1.53 H new ATOM 0 HD23 LEU B 46 9.248 -10.112 1.202 1.00 1.53 H new ATOM 2376 N PRO B 47 11.429 -12.440 -3.337 1.00 1.48 N ATOM 2377 CA PRO B 47 12.696 -12.605 -2.654 1.00 1.27 C ATOM 2378 C PRO B 47 13.697 -11.554 -3.168 1.00 1.07 C ATOM 2379 O PRO B 47 14.607 -11.162 -2.447 1.00 1.34 O ATOM 2380 CB PRO B 47 13.144 -14.013 -3.053 1.00 1.62 C ATOM 2381 CG PRO B 47 12.631 -14.153 -4.490 1.00 2.16 C ATOM 2382 CD PRO B 47 11.344 -13.322 -4.493 1.00 2.31 C ATOM 0 HA PRO B 47 12.627 -12.480 -1.573 1.00 1.27 H new ATOM 0 HB2 PRO B 47 14.227 -14.120 -3.001 1.00 1.62 H new ATOM 0 HB3 PRO B 47 12.716 -14.772 -2.398 1.00 1.62 H new ATOM 0 HG2 PRO B 47 13.354 -13.775 -5.213 1.00 2.16 H new ATOM 0 HG3 PRO B 47 12.437 -15.194 -4.747 1.00 2.16 H new ATOM 0 HD2 PRO B 47 11.253 -12.748 -5.415 1.00 2.31 H new ATOM 0 HD3 PRO B 47 10.466 -13.964 -4.429 1.00 2.31 H new ATOM 2390 N HIS B 48 13.548 -11.131 -4.432 1.00 1.13 N ATOM 2391 CA HIS B 48 14.515 -10.330 -5.169 1.00 1.22 C ATOM 2392 C HIS B 48 14.264 -8.840 -4.952 1.00 1.30 C ATOM 2393 O HIS B 48 15.196 -8.087 -4.680 1.00 2.06 O ATOM 2394 CB HIS B 48 14.398 -10.697 -6.658 1.00 1.42 C ATOM 2395 CG HIS B 48 15.372 -9.981 -7.560 1.00 1.68 C ATOM 2396 ND1 HIS B 48 16.506 -10.528 -8.117 1.00 2.49 N ATOM 2397 CD2 HIS B 48 15.247 -8.705 -8.049 1.00 2.48 C ATOM 2398 CE1 HIS B 48 17.056 -9.595 -8.913 1.00 2.43 C ATOM 2399 NE2 HIS B 48 16.329 -8.467 -8.902 1.00 2.35 N ATOM 0 H HIS B 48 12.717 -11.350 -4.982 1.00 1.13 H new ATOM 0 HA HIS B 48 15.524 -10.539 -4.812 1.00 1.22 H new ATOM 0 HB2 HIS B 48 14.545 -11.772 -6.766 1.00 1.42 H new ATOM 0 HB3 HIS B 48 13.384 -10.479 -6.994 1.00 1.42 H new ATOM 0 HD2 HIS B 48 14.455 -8.009 -7.817 1.00 2.48 H new ATOM 0 HE1 HIS B 48 17.962 -9.734 -9.485 1.00 2.43 H new ATOM 0 HE2 HIS B 48 16.526 -7.607 -9.414 1.00 2.35 H new ATOM 2407 N LEU B 49 13.004 -8.430 -5.131 1.00 1.01 N ATOM 2408 CA LEU B 49 12.529 -7.050 -5.167 1.00 0.99 C ATOM 2409 C LEU B 49 13.294 -6.105 -4.228 1.00 0.98 C ATOM 2410 O LEU B 49 13.892 -5.134 -4.688 1.00 1.20 O ATOM 2411 CB LEU B 49 11.031 -7.087 -4.860 1.00 0.91 C ATOM 2412 CG LEU B 49 10.320 -5.778 -5.206 1.00 0.92 C ATOM 2413 CD1 LEU B 49 9.867 -5.762 -6.665 1.00 0.74 C ATOM 2414 CD2 LEU B 49 9.070 -5.676 -4.353 1.00 1.13 C ATOM 0 H LEU B 49 12.244 -9.098 -5.262 1.00 1.01 H new ATOM 0 HA LEU B 49 12.713 -6.631 -6.156 1.00 0.99 H new ATOM 0 HB2 LEU B 49 10.571 -7.903 -5.418 1.00 0.91 H new ATOM 0 HB3 LEU B 49 10.887 -7.304 -3.801 1.00 0.91 H new ATOM 0 HG LEU B 49 11.013 -4.955 -5.030 1.00 0.92 H new ATOM 0 HD11 LEU B 49 9.365 -4.819 -6.880 1.00 0.74 H new ATOM 0 HD12 LEU B 49 10.734 -5.868 -7.316 1.00 0.74 H new ATOM 0 HD13 LEU B 49 9.178 -6.588 -6.841 1.00 0.74 H new ATOM 0 HD21 LEU B 49 8.547 -4.748 -4.584 1.00 1.13 H new ATOM 0 HD22 LEU B 49 8.417 -6.523 -4.562 1.00 1.13 H new ATOM 0 HD23 LEU B 49 9.347 -5.683 -3.299 1.00 1.13 H new ATOM 2426 N LEU B 50 13.277 -6.377 -2.919 1.00 0.88 N ATOM 2427 CA LEU B 50 14.094 -5.656 -1.952 1.00 0.95 C ATOM 2428 C LEU B 50 15.361 -6.460 -1.706 1.00 1.05 C ATOM 2429 O LEU B 50 15.306 -7.518 -1.085 1.00 1.46 O ATOM 2430 CB LEU B 50 13.348 -5.449 -0.626 1.00 1.07 C ATOM 2431 CG LEU B 50 12.271 -4.359 -0.705 1.00 0.73 C ATOM 2432 CD1 LEU B 50 11.369 -4.439 0.531 1.00 1.09 C ATOM 2433 CD2 LEU B 50 12.869 -2.947 -0.795 1.00 0.97 C ATOM 0 H LEU B 50 12.694 -7.105 -2.505 1.00 0.88 H new ATOM 0 HA LEU B 50 14.331 -4.670 -2.353 1.00 0.95 H new ATOM 0 HB2 LEU B 50 12.884 -6.389 -0.327 1.00 1.07 H new ATOM 0 HB3 LEU B 50 14.066 -5.186 0.151 1.00 1.07 H new ATOM 0 HG LEU B 50 11.699 -4.537 -1.615 1.00 0.73 H new ATOM 0 HD11 LEU B 50 10.604 -3.664 0.474 1.00 1.09 H new ATOM 0 HD12 LEU B 50 10.892 -5.418 0.570 1.00 1.09 H new ATOM 0 HD13 LEU B 50 11.969 -4.292 1.429 1.00 1.09 H new ATOM 0 HD21 LEU B 50 12.064 -2.214 -0.849 1.00 0.97 H new ATOM 0 HD22 LEU B 50 13.478 -2.753 0.088 1.00 0.97 H new ATOM 0 HD23 LEU B 50 13.489 -2.871 -1.688 1.00 0.97 H new ATOM 2445 N LYS B 51 16.507 -5.939 -2.145 1.00 1.33 N ATOM 2446 CA LYS B 51 17.777 -6.474 -1.686 1.00 1.52 C ATOM 2447 C LYS B 51 17.921 -6.234 -0.179 1.00 1.36 C ATOM 2448 O LYS B 51 17.334 -5.296 0.361 1.00 2.00 O ATOM 2449 CB LYS B 51 18.958 -5.890 -2.471 1.00 2.22 C ATOM 2450 CG LYS B 51 19.076 -4.362 -2.359 1.00 2.63 C ATOM 2451 CD LYS B 51 20.539 -3.912 -2.457 1.00 3.63 C ATOM 2452 CE LYS B 51 21.174 -4.285 -3.806 1.00 3.94 C ATOM 2453 NZ LYS B 51 22.586 -3.860 -3.888 1.00 5.52 N ATOM 0 H LYS B 51 16.577 -5.164 -2.804 1.00 1.33 H new ATOM 0 HA LYS B 51 17.789 -7.548 -1.870 1.00 1.52 H new ATOM 0 HB2 LYS B 51 19.882 -6.345 -2.113 1.00 2.22 H new ATOM 0 HB3 LYS B 51 18.855 -6.162 -3.521 1.00 2.22 H new ATOM 0 HG2 LYS B 51 18.494 -3.890 -3.150 1.00 2.63 H new ATOM 0 HG3 LYS B 51 18.653 -4.030 -1.411 1.00 2.63 H new ATOM 0 HD2 LYS B 51 20.595 -2.832 -2.318 1.00 3.63 H new ATOM 0 HD3 LYS B 51 21.112 -4.368 -1.650 1.00 3.63 H new ATOM 0 HE2 LYS B 51 21.111 -5.363 -3.951 1.00 3.94 H new ATOM 0 HE3 LYS B 51 20.608 -3.821 -4.614 1.00 3.94 H new ATOM 0 HZ1 LYS B 51 22.977 -4.130 -4.813 1.00 5.52 H new ATOM 0 HZ2 LYS B 51 22.645 -2.828 -3.776 1.00 5.52 H new ATOM 0 HZ3 LYS B 51 23.132 -4.322 -3.133 1.00 5.52 H new ATOM 2467 N ASP B 52 18.718 -7.082 0.471 1.00 1.29 N ATOM 2468 CA ASP B 52 18.823 -7.200 1.915 1.00 1.55 C ATOM 2469 C ASP B 52 17.477 -7.603 2.495 1.00 1.44 C ATOM 2470 O ASP B 52 16.709 -6.794 3.013 1.00 1.94 O ATOM 2471 CB ASP B 52 19.416 -5.990 2.644 1.00 2.26 C ATOM 2472 CG ASP B 52 19.352 -6.263 4.145 1.00 3.58 C ATOM 2473 OD1 ASP B 52 19.496 -7.449 4.523 1.00 4.60 O ATOM 2474 OD2 ASP B 52 19.089 -5.301 4.897 1.00 4.16 O ATOM 0 H ASP B 52 19.332 -7.731 -0.021 1.00 1.29 H new ATOM 0 HA ASP B 52 19.560 -7.983 2.092 1.00 1.55 H new ATOM 0 HB2 ASP B 52 20.447 -5.824 2.331 1.00 2.26 H new ATOM 0 HB3 ASP B 52 18.859 -5.086 2.397 1.00 2.26 H new ATOM 2479 N VAL B 53 17.247 -8.909 2.443 1.00 1.25 N ATOM 2480 CA VAL B 53 16.189 -9.562 3.176 1.00 1.54 C ATOM 2481 C VAL B 53 16.751 -10.147 4.481 1.00 2.21 C ATOM 2482 O VAL B 53 16.167 -11.078 5.034 1.00 2.90 O ATOM 2483 CB VAL B 53 15.549 -10.613 2.256 1.00 1.62 C ATOM 2484 CG1 VAL B 53 14.990 -9.973 0.979 1.00 1.79 C ATOM 2485 CG2 VAL B 53 16.493 -11.763 1.873 1.00 2.04 C ATOM 0 H VAL B 53 17.805 -9.549 1.878 1.00 1.25 H new ATOM 0 HA VAL B 53 15.408 -8.861 3.471 1.00 1.54 H new ATOM 0 HB VAL B 53 14.738 -11.042 2.844 1.00 1.62 H new ATOM 0 HG11 VAL B 53 14.544 -10.744 0.351 1.00 1.79 H new ATOM 0 HG12 VAL B 53 14.231 -9.237 1.243 1.00 1.79 H new ATOM 0 HG13 VAL B 53 15.797 -9.483 0.435 1.00 1.79 H new ATOM 0 HG21 VAL B 53 15.968 -12.463 1.223 1.00 2.04 H new ATOM 0 HG22 VAL B 53 17.361 -11.362 1.349 1.00 2.04 H new ATOM 0 HG23 VAL B 53 16.820 -12.281 2.775 1.00 2.04 H new ATOM 2495 N GLY B 54 17.891 -9.629 4.967 1.00 2.41 N ATOM 2496 CA GLY B 54 18.600 -10.141 6.126 1.00 3.22 C ATOM 2497 C GLY B 54 18.494 -9.144 7.271 1.00 3.20 C ATOM 2498 O GLY B 54 17.845 -9.424 8.281 1.00 3.67 O ATOM 0 H GLY B 54 18.348 -8.821 4.545 1.00 2.41 H new ATOM 0 HA2 GLY B 54 18.181 -11.101 6.427 1.00 3.22 H new ATOM 0 HA3 GLY B 54 19.647 -10.314 5.877 1.00 3.22 H new ATOM 2502 N SER B 55 19.093 -7.962 7.116 1.00 2.83 N ATOM 2503 CA SER B 55 19.101 -6.910 8.126 1.00 2.95 C ATOM 2504 C SER B 55 17.788 -6.119 8.063 1.00 2.38 C ATOM 2505 O SER B 55 17.770 -4.888 8.077 1.00 2.39 O ATOM 2506 CB SER B 55 20.339 -6.015 7.951 1.00 3.35 C ATOM 2507 OG SER B 55 20.813 -5.558 9.207 1.00 4.49 O ATOM 0 H SER B 55 19.596 -7.707 6.266 1.00 2.83 H new ATOM 0 HA SER B 55 19.167 -7.352 9.120 1.00 2.95 H new ATOM 0 HB2 SER B 55 21.126 -6.571 7.441 1.00 3.35 H new ATOM 0 HB3 SER B 55 20.090 -5.162 7.319 1.00 3.35 H new ATOM 0 HG SER B 55 20.058 -5.240 9.745 1.00 4.49 H new ATOM 2513 N LEU B 56 16.660 -6.831 7.988 1.00 2.05 N ATOM 2514 CA LEU B 56 15.337 -6.252 7.915 1.00 1.59 C ATOM 2515 C LEU B 56 15.129 -5.308 9.092 1.00 1.70 C ATOM 2516 O LEU B 56 14.610 -4.216 8.907 1.00 1.29 O ATOM 2517 CB LEU B 56 14.332 -7.407 7.868 1.00 1.73 C ATOM 2518 CG LEU B 56 12.851 -7.013 7.861 1.00 1.60 C ATOM 2519 CD1 LEU B 56 12.310 -6.843 9.279 1.00 1.87 C ATOM 2520 CD2 LEU B 56 12.575 -5.820 6.950 1.00 1.12 C ATOM 0 H LEU B 56 16.653 -7.851 7.977 1.00 2.05 H new ATOM 0 HA LEU B 56 15.199 -5.647 7.019 1.00 1.59 H new ATOM 0 HB2 LEU B 56 14.533 -8.001 6.976 1.00 1.73 H new ATOM 0 HB3 LEU B 56 14.511 -8.053 8.728 1.00 1.73 H new ATOM 0 HG LEU B 56 12.290 -7.839 7.424 1.00 1.60 H new ATOM 0 HD11 LEU B 56 11.257 -6.564 9.236 1.00 1.87 H new ATOM 0 HD12 LEU B 56 12.414 -7.782 9.823 1.00 1.87 H new ATOM 0 HD13 LEU B 56 12.872 -6.062 9.792 1.00 1.87 H new ATOM 0 HD21 LEU B 56 11.512 -5.579 6.978 1.00 1.12 H new ATOM 0 HD22 LEU B 56 13.152 -4.960 7.291 1.00 1.12 H new ATOM 0 HD23 LEU B 56 12.863 -6.068 5.929 1.00 1.12 H new ATOM 2532 N ASP B 57 15.568 -5.718 10.283 1.00 2.35 N ATOM 2533 CA ASP B 57 15.759 -4.886 11.469 1.00 2.41 C ATOM 2534 C ASP B 57 16.019 -3.409 11.150 1.00 2.22 C ATOM 2535 O ASP B 57 15.330 -2.552 11.697 1.00 2.09 O ATOM 2536 CB ASP B 57 16.889 -5.476 12.326 1.00 2.84 C ATOM 2537 CG ASP B 57 17.942 -6.152 11.466 1.00 3.07 C ATOM 2538 OD1 ASP B 57 18.861 -5.448 11.004 1.00 2.85 O ATOM 2539 OD2 ASP B 57 17.707 -7.349 11.175 1.00 4.37 O ATOM 0 H ASP B 57 15.813 -6.693 10.454 1.00 2.35 H new ATOM 0 HA ASP B 57 14.823 -4.898 12.027 1.00 2.41 H new ATOM 0 HB2 ASP B 57 17.352 -4.684 12.915 1.00 2.84 H new ATOM 0 HB3 ASP B 57 16.475 -6.197 13.030 1.00 2.84 H new ATOM 2544 N GLU B 58 16.975 -3.095 10.271 1.00 2.28 N ATOM 2545 CA GLU B 58 17.218 -1.724 9.826 1.00 2.25 C ATOM 2546 C GLU B 58 15.929 -1.065 9.304 1.00 1.84 C ATOM 2547 O GLU B 58 15.518 -0.001 9.772 1.00 1.88 O ATOM 2548 CB GLU B 58 18.315 -1.743 8.752 1.00 2.45 C ATOM 2549 CG GLU B 58 18.549 -0.376 8.097 1.00 2.48 C ATOM 2550 CD GLU B 58 19.582 -0.471 6.981 1.00 2.76 C ATOM 2551 OE1 GLU B 58 19.330 -1.277 6.057 1.00 3.28 O ATOM 2552 OE2 GLU B 58 20.591 0.257 7.065 1.00 3.23 O ATOM 0 H GLU B 58 17.599 -3.783 9.850 1.00 2.28 H new ATOM 0 HA GLU B 58 17.551 -1.123 10.672 1.00 2.25 H new ATOM 0 HB2 GLU B 58 19.247 -2.087 9.201 1.00 2.45 H new ATOM 0 HB3 GLU B 58 18.047 -2.466 7.982 1.00 2.45 H new ATOM 0 HG2 GLU B 58 17.609 0.004 7.695 1.00 2.48 H new ATOM 0 HG3 GLU B 58 18.886 0.338 8.849 1.00 2.48 H new ATOM 2559 N LYS B 59 15.298 -1.699 8.312 1.00 1.48 N ATOM 2560 CA LYS B 59 14.088 -1.192 7.682 1.00 1.12 C ATOM 2561 C LYS B 59 12.995 -1.106 8.746 1.00 1.02 C ATOM 2562 O LYS B 59 12.404 -0.052 8.941 1.00 1.02 O ATOM 2563 CB LYS B 59 13.637 -2.084 6.503 1.00 0.91 C ATOM 2564 CG LYS B 59 14.231 -1.739 5.125 1.00 1.19 C ATOM 2565 CD LYS B 59 15.320 -2.709 4.633 1.00 2.05 C ATOM 2566 CE LYS B 59 16.548 -2.642 5.558 1.00 3.43 C ATOM 2567 NZ LYS B 59 17.818 -3.055 4.928 1.00 4.61 N ATOM 0 H LYS B 59 15.620 -2.586 7.924 1.00 1.48 H new ATOM 0 HA LYS B 59 14.288 -0.205 7.266 1.00 1.12 H new ATOM 0 HB2 LYS B 59 13.893 -3.117 6.738 1.00 0.91 H new ATOM 0 HB3 LYS B 59 12.551 -2.033 6.431 1.00 0.91 H new ATOM 0 HG2 LYS B 59 13.425 -1.718 4.392 1.00 1.19 H new ATOM 0 HG3 LYS B 59 14.651 -0.734 5.167 1.00 1.19 H new ATOM 0 HD2 LYS B 59 14.928 -3.726 4.610 1.00 2.05 H new ATOM 0 HD3 LYS B 59 15.609 -2.456 3.613 1.00 2.05 H new ATOM 0 HE2 LYS B 59 16.655 -1.621 5.924 1.00 3.43 H new ATOM 0 HE3 LYS B 59 16.366 -3.275 6.427 1.00 3.43 H new ATOM 0 HZ1 LYS B 59 18.605 -2.527 5.356 1.00 4.61 H new ATOM 0 HZ2 LYS B 59 17.963 -4.074 5.076 1.00 4.61 H new ATOM 0 HZ3 LYS B 59 17.781 -2.855 3.908 1.00 4.61 H new ATOM 2581 N MET B 60 12.744 -2.214 9.442 1.00 1.16 N ATOM 2582 CA MET B 60 11.721 -2.351 10.469 1.00 1.36 C ATOM 2583 C MET B 60 11.821 -1.225 11.495 1.00 1.57 C ATOM 2584 O MET B 60 10.845 -0.519 11.734 1.00 1.44 O ATOM 2585 CB MET B 60 11.826 -3.758 11.067 1.00 1.89 C ATOM 2586 CG MET B 60 10.903 -4.020 12.258 1.00 2.14 C ATOM 2587 SD MET B 60 11.577 -3.524 13.865 1.00 2.23 S ATOM 2588 CE MET B 60 10.203 -3.969 14.947 1.00 3.06 C ATOM 0 H MET B 60 13.272 -3.075 9.297 1.00 1.16 H new ATOM 0 HA MET B 60 10.723 -2.248 10.043 1.00 1.36 H new ATOM 0 HB2 MET B 60 11.605 -4.486 10.287 1.00 1.89 H new ATOM 0 HB3 MET B 60 12.856 -3.929 11.379 1.00 1.89 H new ATOM 0 HG2 MET B 60 9.964 -3.491 12.095 1.00 2.14 H new ATOM 0 HG3 MET B 60 10.669 -5.084 12.291 1.00 2.14 H new ATOM 0 HE1 MET B 60 10.567 -4.085 15.968 1.00 3.06 H new ATOM 0 HE2 MET B 60 9.448 -3.184 14.917 1.00 3.06 H new ATOM 0 HE3 MET B 60 9.764 -4.908 14.610 1.00 3.06 H new ATOM 2598 N LYS B 61 13.004 -1.028 12.073 1.00 1.99 N ATOM 2599 CA LYS B 61 13.239 -0.014 13.089 1.00 2.41 C ATOM 2600 C LYS B 61 12.965 1.394 12.543 1.00 2.29 C ATOM 2601 O LYS B 61 12.563 2.280 13.299 1.00 2.45 O ATOM 2602 CB LYS B 61 14.671 -0.185 13.608 1.00 2.98 C ATOM 2603 CG LYS B 61 14.958 0.623 14.878 1.00 2.99 C ATOM 2604 CD LYS B 61 16.421 0.479 15.328 1.00 3.07 C ATOM 2605 CE LYS B 61 16.807 -0.983 15.609 1.00 3.46 C ATOM 2606 NZ LYS B 61 18.164 -1.102 16.183 1.00 3.94 N ATOM 0 H LYS B 61 13.833 -1.576 11.844 1.00 1.99 H new ATOM 0 HA LYS B 61 12.547 -0.140 13.922 1.00 2.41 H new ATOM 0 HB2 LYS B 61 14.853 -1.241 13.809 1.00 2.98 H new ATOM 0 HB3 LYS B 61 15.371 0.117 12.828 1.00 2.98 H new ATOM 0 HG2 LYS B 61 14.735 1.675 14.698 1.00 2.99 H new ATOM 0 HG3 LYS B 61 14.297 0.290 15.678 1.00 2.99 H new ATOM 0 HD2 LYS B 61 17.077 0.883 14.557 1.00 3.07 H new ATOM 0 HD3 LYS B 61 16.582 1.074 16.227 1.00 3.07 H new ATOM 0 HE2 LYS B 61 16.084 -1.422 16.296 1.00 3.46 H new ATOM 0 HE3 LYS B 61 16.755 -1.555 14.683 1.00 3.46 H new ATOM 0 HZ1 LYS B 61 18.381 -2.104 16.356 1.00 3.94 H new ATOM 0 HZ2 LYS B 61 18.858 -0.707 15.517 1.00 3.94 H new ATOM 0 HZ3 LYS B 61 18.208 -0.578 17.080 1.00 3.94 H new ATOM 2620 N SER B 62 13.187 1.605 11.240 1.00 2.13 N ATOM 2621 CA SER B 62 12.836 2.851 10.576 1.00 2.22 C ATOM 2622 C SER B 62 11.309 2.954 10.434 1.00 1.98 C ATOM 2623 O SER B 62 10.706 3.919 10.891 1.00 2.63 O ATOM 2624 CB SER B 62 13.566 2.940 9.227 1.00 2.24 C ATOM 2625 OG SER B 62 13.520 4.261 8.722 1.00 2.44 O ATOM 0 H SER B 62 13.614 0.914 10.624 1.00 2.13 H new ATOM 0 HA SER B 62 13.159 3.703 11.175 1.00 2.22 H new ATOM 0 HB2 SER B 62 14.603 2.627 9.347 1.00 2.24 H new ATOM 0 HB3 SER B 62 13.107 2.256 8.513 1.00 2.24 H new ATOM 0 HG SER B 62 13.991 4.300 7.864 1.00 2.44 H new ATOM 2631 N LEU B 63 10.680 1.948 9.818 1.00 1.18 N ATOM 2632 CA LEU B 63 9.242 1.866 9.575 1.00 0.94 C ATOM 2633 C LEU B 63 8.441 2.096 10.864 1.00 0.98 C ATOM 2634 O LEU B 63 7.456 2.831 10.865 1.00 0.99 O ATOM 2635 CB LEU B 63 8.911 0.483 8.993 1.00 0.73 C ATOM 2636 CG LEU B 63 9.441 0.206 7.576 1.00 0.92 C ATOM 2637 CD1 LEU B 63 9.483 -1.310 7.362 1.00 1.04 C ATOM 2638 CD2 LEU B 63 8.493 0.767 6.520 1.00 1.51 C ATOM 0 H LEU B 63 11.183 1.136 9.461 1.00 1.18 H new ATOM 0 HA LEU B 63 8.964 2.648 8.868 1.00 0.94 H new ATOM 0 HB2 LEU B 63 9.310 -0.277 9.664 1.00 0.73 H new ATOM 0 HB3 LEU B 63 7.828 0.364 8.985 1.00 0.73 H new ATOM 0 HG LEU B 63 10.423 0.669 7.482 1.00 0.92 H new ATOM 0 HD11 LEU B 63 9.857 -1.526 6.361 1.00 1.04 H new ATOM 0 HD12 LEU B 63 10.143 -1.764 8.102 1.00 1.04 H new ATOM 0 HD13 LEU B 63 8.479 -1.721 7.471 1.00 1.04 H new ATOM 0 HD21 LEU B 63 8.890 0.558 5.527 1.00 1.51 H new ATOM 0 HD22 LEU B 63 7.514 0.300 6.625 1.00 1.51 H new ATOM 0 HD23 LEU B 63 8.397 1.845 6.653 1.00 1.51 H new ATOM 2650 N ASP B 64 8.875 1.474 11.964 1.00 1.09 N ATOM 2651 CA ASP B 64 8.234 1.419 13.278 1.00 1.21 C ATOM 2652 C ASP B 64 7.774 2.743 13.917 1.00 1.38 C ATOM 2653 O ASP B 64 7.225 2.689 15.018 1.00 1.52 O ATOM 2654 CB ASP B 64 9.007 0.516 14.257 1.00 1.32 C ATOM 2655 CG ASP B 64 8.139 0.046 15.423 1.00 1.48 C ATOM 2656 OD1 ASP B 64 6.908 -0.073 15.240 1.00 1.57 O ATOM 2657 OD2 ASP B 64 8.688 -0.168 16.520 1.00 1.88 O ATOM 0 H ASP B 64 9.753 0.955 11.956 1.00 1.09 H new ATOM 0 HA ASP B 64 7.275 0.954 13.050 1.00 1.21 H new ATOM 0 HB2 ASP B 64 9.392 -0.352 13.721 1.00 1.32 H new ATOM 0 HB3 ASP B 64 9.869 1.059 14.645 1.00 1.32 H new ATOM 2662 N VAL B 65 8.123 3.912 13.350 1.00 1.43 N ATOM 2663 CA VAL B 65 8.665 5.161 13.915 1.00 1.58 C ATOM 2664 C VAL B 65 8.242 5.588 15.330 1.00 1.73 C ATOM 2665 O VAL B 65 8.964 6.356 15.959 1.00 1.86 O ATOM 2666 CB VAL B 65 8.306 6.332 12.970 1.00 1.72 C ATOM 2667 CG1 VAL B 65 9.008 6.253 11.612 1.00 1.56 C ATOM 2668 CG2 VAL B 65 6.792 6.450 12.736 1.00 2.24 C ATOM 0 H VAL B 65 8.015 4.015 12.341 1.00 1.43 H new ATOM 0 HA VAL B 65 9.727 4.933 14.005 1.00 1.58 H new ATOM 0 HB VAL B 65 8.664 7.220 13.490 1.00 1.72 H new ATOM 0 HG11 VAL B 65 8.712 7.104 10.999 1.00 1.56 H new ATOM 0 HG12 VAL B 65 10.088 6.270 11.759 1.00 1.56 H new ATOM 0 HG13 VAL B 65 8.725 5.328 11.109 1.00 1.56 H new ATOM 0 HG21 VAL B 65 6.591 7.286 12.066 1.00 2.24 H new ATOM 0 HG22 VAL B 65 6.420 5.529 12.287 1.00 2.24 H new ATOM 0 HG23 VAL B 65 6.289 6.619 13.688 1.00 2.24 H new ATOM 2678 N ASN B 66 7.128 5.093 15.865 1.00 1.78 N ATOM 2679 CA ASN B 66 6.920 5.045 17.311 1.00 1.98 C ATOM 2680 C ASN B 66 8.144 4.410 17.985 1.00 1.83 C ATOM 2681 O ASN B 66 8.547 4.831 19.065 1.00 1.99 O ATOM 2682 CB ASN B 66 5.684 4.209 17.693 1.00 2.24 C ATOM 2683 CG ASN B 66 4.600 4.129 16.625 1.00 1.90 C ATOM 2684 OD1 ASN B 66 4.386 3.070 16.038 1.00 2.26 O ATOM 2685 ND2 ASN B 66 3.926 5.239 16.338 1.00 2.46 N ATOM 0 H ASN B 66 6.353 4.718 15.317 1.00 1.78 H new ATOM 0 HA ASN B 66 6.767 6.071 17.647 1.00 1.98 H new ATOM 0 HB2 ASN B 66 6.010 3.197 17.934 1.00 2.24 H new ATOM 0 HB3 ASN B 66 5.248 4.628 18.600 1.00 2.24 H new ATOM 0 HD21 ASN B 66 3.208 5.227 15.613 1.00 2.46 H new ATOM 0 HD22 ASN B 66 4.127 6.102 16.843 1.00 2.46 H new ATOM 2692 N GLN B 67 8.691 3.367 17.347 1.00 1.67 N ATOM 2693 CA GLN B 67 9.733 2.499 17.878 1.00 1.80 C ATOM 2694 C GLN B 67 9.202 1.787 19.124 1.00 1.82 C ATOM 2695 O GLN B 67 9.685 1.982 20.237 1.00 1.96 O ATOM 2696 CB GLN B 67 11.078 3.229 18.009 1.00 2.08 C ATOM 2697 CG GLN B 67 11.480 3.750 16.618 1.00 2.30 C ATOM 2698 CD GLN B 67 12.944 4.158 16.514 1.00 2.13 C ATOM 2699 OE1 GLN B 67 13.540 4.649 17.466 1.00 2.55 O ATOM 2700 NE2 GLN B 67 13.547 3.959 15.344 1.00 3.02 N ATOM 0 H GLN B 67 8.402 3.099 16.406 1.00 1.67 H new ATOM 0 HA GLN B 67 9.978 1.703 17.175 1.00 1.80 H new ATOM 0 HB2 GLN B 67 10.995 4.055 18.715 1.00 2.08 H new ATOM 0 HB3 GLN B 67 11.841 2.554 18.397 1.00 2.08 H new ATOM 0 HG2 GLN B 67 11.274 2.977 15.877 1.00 2.30 H new ATOM 0 HG3 GLN B 67 10.855 4.607 16.367 1.00 2.30 H new ATOM 0 HE21 GLN B 67 13.029 3.549 14.567 1.00 3.02 H new ATOM 0 HE22 GLN B 67 14.527 4.217 15.225 1.00 3.02 H new ATOM 2709 N ASP B 68 8.169 0.970 18.889 1.00 1.82 N ATOM 2710 CA ASP B 68 7.384 0.227 19.874 1.00 1.85 C ATOM 2711 C ASP B 68 7.500 -1.298 19.700 1.00 2.02 C ATOM 2712 O ASP B 68 7.031 -2.031 20.568 1.00 2.70 O ATOM 2713 CB ASP B 68 5.912 0.680 19.828 1.00 1.73 C ATOM 2714 CG ASP B 68 5.247 0.429 18.488 1.00 1.60 C ATOM 2715 OD1 ASP B 68 5.655 -0.468 17.730 1.00 1.75 O ATOM 2716 OD2 ASP B 68 4.402 1.222 18.027 1.00 1.71 O ATOM 0 H ASP B 68 7.839 0.801 17.939 1.00 1.82 H new ATOM 0 HA ASP B 68 7.797 0.454 20.857 1.00 1.85 H new ATOM 0 HB2 ASP B 68 5.354 0.158 20.606 1.00 1.73 H new ATOM 0 HB3 ASP B 68 5.860 1.744 20.058 1.00 1.73 H new ATOM 2721 N SER B 69 8.123 -1.782 18.617 1.00 1.76 N ATOM 2722 CA SER B 69 8.362 -3.185 18.293 1.00 1.81 C ATOM 2723 C SER B 69 7.255 -3.804 17.428 1.00 1.55 C ATOM 2724 O SER B 69 7.422 -4.935 16.967 1.00 1.61 O ATOM 2725 CB SER B 69 8.672 -4.034 19.541 1.00 2.37 C ATOM 2726 OG SER B 69 9.437 -5.176 19.202 1.00 3.53 O ATOM 0 H SER B 69 8.496 -1.159 17.901 1.00 1.76 H new ATOM 0 HA SER B 69 9.261 -3.194 17.677 1.00 1.81 H new ATOM 0 HB2 SER B 69 9.215 -3.431 20.269 1.00 2.37 H new ATOM 0 HB3 SER B 69 7.741 -4.344 20.015 1.00 2.37 H new ATOM 0 HG SER B 69 9.622 -5.698 20.011 1.00 3.53 H new ATOM 2732 N GLU B 70 6.144 -3.097 17.184 1.00 1.50 N ATOM 2733 CA GLU B 70 4.998 -3.622 16.453 1.00 1.49 C ATOM 2734 C GLU B 70 4.578 -2.661 15.344 1.00 1.38 C ATOM 2735 O GLU B 70 4.191 -1.520 15.610 1.00 1.43 O ATOM 2736 CB GLU B 70 3.834 -3.865 17.420 1.00 1.82 C ATOM 2737 CG GLU B 70 4.133 -5.038 18.365 1.00 1.94 C ATOM 2738 CD GLU B 70 2.850 -5.657 18.892 1.00 2.85 C ATOM 2739 OE1 GLU B 70 2.035 -4.898 19.462 1.00 2.91 O ATOM 2740 OE2 GLU B 70 2.656 -6.866 18.635 1.00 4.42 O ATOM 0 H GLU B 70 6.021 -2.133 17.495 1.00 1.50 H new ATOM 0 HA GLU B 70 5.280 -4.568 15.991 1.00 1.49 H new ATOM 0 HB2 GLU B 70 3.648 -2.963 18.003 1.00 1.82 H new ATOM 0 HB3 GLU B 70 2.925 -4.072 16.855 1.00 1.82 H new ATOM 0 HG2 GLU B 70 4.715 -5.794 17.838 1.00 1.94 H new ATOM 0 HG3 GLU B 70 4.742 -4.691 19.199 1.00 1.94 H new ATOM 2747 N LEU B 71 4.617 -3.122 14.093 1.00 1.37 N ATOM 2748 CA LEU B 71 4.178 -2.335 12.952 1.00 1.32 C ATOM 2749 C LEU B 71 2.658 -2.488 12.840 1.00 1.34 C ATOM 2750 O LEU B 71 2.172 -3.551 12.451 1.00 1.37 O ATOM 2751 CB LEU B 71 4.897 -2.819 11.685 1.00 1.34 C ATOM 2752 CG LEU B 71 6.391 -2.458 11.584 1.00 1.33 C ATOM 2753 CD1 LEU B 71 6.568 -1.071 10.973 1.00 1.39 C ATOM 2754 CD2 LEU B 71 7.193 -2.554 12.885 1.00 1.40 C ATOM 0 H LEU B 71 4.955 -4.053 13.848 1.00 1.37 H new ATOM 0 HA LEU B 71 4.423 -1.280 13.077 1.00 1.32 H new ATOM 0 HB2 LEU B 71 4.800 -3.903 11.626 1.00 1.34 H new ATOM 0 HB3 LEU B 71 4.383 -2.405 10.817 1.00 1.34 H new ATOM 0 HG LEU B 71 6.807 -3.229 10.935 1.00 1.33 H new ATOM 0 HD11 LEU B 71 7.630 -0.834 10.910 1.00 1.39 H new ATOM 0 HD12 LEU B 71 6.133 -1.055 9.974 1.00 1.39 H new ATOM 0 HD13 LEU B 71 6.068 -0.331 11.598 1.00 1.39 H new ATOM 0 HD21 LEU B 71 8.230 -2.278 12.694 1.00 1.40 H new ATOM 0 HD22 LEU B 71 6.767 -1.877 13.626 1.00 1.40 H new ATOM 0 HD23 LEU B 71 7.153 -3.576 13.262 1.00 1.40 H new ATOM 2766 N LYS B 72 1.916 -1.442 13.221 1.00 1.37 N ATOM 2767 CA LYS B 72 0.458 -1.408 13.291 1.00 1.43 C ATOM 2768 C LYS B 72 -0.152 -1.083 11.916 1.00 1.41 C ATOM 2769 O LYS B 72 0.564 -0.698 10.986 1.00 1.37 O ATOM 2770 CB LYS B 72 0.127 -0.326 14.334 1.00 1.48 C ATOM 2771 CG LYS B 72 -1.344 -0.131 14.725 1.00 2.31 C ATOM 2772 CD LYS B 72 -1.454 0.697 16.017 1.00 2.63 C ATOM 2773 CE LYS B 72 -0.749 2.063 15.907 1.00 2.59 C ATOM 2774 NZ LYS B 72 -0.911 2.881 17.127 1.00 3.55 N ATOM 0 H LYS B 72 2.339 -0.557 13.501 1.00 1.37 H new ATOM 0 HA LYS B 72 0.039 -2.373 13.576 1.00 1.43 H new ATOM 0 HB2 LYS B 72 0.687 -0.554 15.241 1.00 1.48 H new ATOM 0 HB3 LYS B 72 0.502 0.626 13.959 1.00 1.48 H new ATOM 0 HG2 LYS B 72 -1.877 0.371 13.918 1.00 2.31 H new ATOM 0 HG3 LYS B 72 -1.820 -1.101 14.866 1.00 2.31 H new ATOM 0 HD2 LYS B 72 -2.506 0.853 16.256 1.00 2.63 H new ATOM 0 HD3 LYS B 72 -1.020 0.134 16.843 1.00 2.63 H new ATOM 0 HE2 LYS B 72 0.313 1.906 15.716 1.00 2.59 H new ATOM 0 HE3 LYS B 72 -1.150 2.608 15.052 1.00 2.59 H new ATOM 0 HZ1 LYS B 72 -0.420 3.789 17.004 1.00 3.55 H new ATOM 0 HZ2 LYS B 72 -1.922 3.055 17.297 1.00 3.55 H new ATOM 0 HZ3 LYS B 72 -0.505 2.375 17.940 1.00 3.55 H new ATOM 2788 N PHE B 73 -1.490 -1.118 11.805 1.00 1.50 N ATOM 2789 CA PHE B 73 -2.212 -0.809 10.565 1.00 1.58 C ATOM 2790 C PHE B 73 -2.364 0.715 10.390 1.00 1.54 C ATOM 2791 O PHE B 73 -3.451 1.227 10.136 1.00 1.71 O ATOM 2792 CB PHE B 73 -3.602 -1.487 10.567 1.00 1.86 C ATOM 2793 CG PHE B 73 -3.662 -2.932 10.101 1.00 1.73 C ATOM 2794 CD1 PHE B 73 -3.219 -3.973 10.937 1.00 2.58 C ATOM 2795 CD2 PHE B 73 -4.301 -3.246 8.882 1.00 3.00 C ATOM 2796 CE1 PHE B 73 -3.383 -5.312 10.541 1.00 3.94 C ATOM 2797 CE2 PHE B 73 -4.481 -4.585 8.498 1.00 4.12 C ATOM 2798 CZ PHE B 73 -4.000 -5.620 9.317 1.00 4.47 C ATOM 0 H PHE B 73 -2.104 -1.364 12.581 1.00 1.50 H new ATOM 0 HA PHE B 73 -1.634 -1.198 9.727 1.00 1.58 H new ATOM 0 HB2 PHE B 73 -4.001 -1.440 11.580 1.00 1.86 H new ATOM 0 HB3 PHE B 73 -4.267 -0.899 9.935 1.00 1.86 H new ATOM 0 HD1 PHE B 73 -2.753 -3.743 11.884 1.00 2.58 H new ATOM 0 HD2 PHE B 73 -4.654 -2.452 8.241 1.00 3.00 H new ATOM 0 HE1 PHE B 73 -3.033 -6.108 11.181 1.00 3.94 H new ATOM 0 HE2 PHE B 73 -4.989 -4.819 7.574 1.00 4.12 H new ATOM 0 HZ PHE B 73 -4.104 -6.649 9.007 1.00 4.47 H new ATOM 2808 N ASN B 74 -1.232 1.421 10.391 1.00 1.47 N ATOM 2809 CA ASN B 74 -0.738 2.070 9.173 1.00 1.30 C ATOM 2810 C ASN B 74 0.704 2.571 9.385 1.00 1.20 C ATOM 2811 O ASN B 74 1.116 3.604 8.860 1.00 1.40 O ATOM 2812 CB ASN B 74 -1.773 3.175 8.833 1.00 1.42 C ATOM 2813 CG ASN B 74 -1.329 4.473 8.154 1.00 1.84 C ATOM 2814 OD1 ASN B 74 -1.486 4.653 6.950 1.00 2.20 O ATOM 2815 ND2 ASN B 74 -0.885 5.457 8.933 1.00 2.67 N ATOM 0 H ASN B 74 -0.644 1.558 11.213 1.00 1.47 H new ATOM 0 HA ASN B 74 -0.660 1.394 8.321 1.00 1.30 H new ATOM 0 HB2 ASN B 74 -2.531 2.721 8.194 1.00 1.42 H new ATOM 0 HB3 ASN B 74 -2.266 3.452 9.765 1.00 1.42 H new ATOM 0 HD21 ASN B 74 -0.672 6.370 8.530 1.00 2.67 H new ATOM 0 HD22 ASN B 74 -0.758 5.298 9.932 1.00 2.67 H new ATOM 2822 N GLU B 75 1.561 1.730 9.965 1.00 1.13 N ATOM 2823 CA GLU B 75 2.999 1.708 9.810 1.00 1.08 C ATOM 2824 C GLU B 75 3.327 0.778 8.653 1.00 1.04 C ATOM 2825 O GLU B 75 3.873 1.189 7.633 1.00 1.00 O ATOM 2826 CB GLU B 75 3.638 1.243 11.119 1.00 1.17 C ATOM 2827 CG GLU B 75 3.041 1.952 12.339 1.00 1.50 C ATOM 2828 CD GLU B 75 3.705 1.423 13.585 1.00 1.35 C ATOM 2829 OE1 GLU B 75 4.930 1.548 13.735 1.00 1.58 O ATOM 2830 OE2 GLU B 75 3.051 0.801 14.446 1.00 2.21 O ATOM 0 H GLU B 75 1.236 0.999 10.598 1.00 1.13 H new ATOM 0 HA GLU B 75 3.395 2.699 9.588 1.00 1.08 H new ATOM 0 HB2 GLU B 75 3.503 0.167 11.225 1.00 1.17 H new ATOM 0 HB3 GLU B 75 4.712 1.428 11.083 1.00 1.17 H new ATOM 0 HG2 GLU B 75 3.191 3.029 12.260 1.00 1.50 H new ATOM 0 HG3 GLU B 75 1.965 1.783 12.384 1.00 1.50 H new ATOM 2837 N TYR B 76 2.939 -0.493 8.830 1.00 1.11 N ATOM 2838 CA TYR B 76 3.327 -1.590 7.957 1.00 1.09 C ATOM 2839 C TYR B 76 3.061 -1.254 6.501 1.00 1.05 C ATOM 2840 O TYR B 76 3.876 -1.598 5.644 1.00 1.03 O ATOM 2841 CB TYR B 76 2.581 -2.876 8.343 1.00 1.18 C ATOM 2842 CG TYR B 76 2.839 -4.005 7.364 1.00 1.14 C ATOM 2843 CD1 TYR B 76 4.083 -4.658 7.387 1.00 1.83 C ATOM 2844 CD2 TYR B 76 1.989 -4.170 6.254 1.00 2.48 C ATOM 2845 CE1 TYR B 76 4.495 -5.437 6.291 1.00 2.67 C ATOM 2846 CE2 TYR B 76 2.421 -4.911 5.141 1.00 3.02 C ATOM 2847 CZ TYR B 76 3.676 -5.535 5.157 1.00 2.85 C ATOM 2848 OH TYR B 76 4.107 -6.221 4.063 1.00 3.92 O ATOM 0 H TYR B 76 2.336 -0.784 9.600 1.00 1.11 H new ATOM 0 HA TYR B 76 4.398 -1.750 8.082 1.00 1.09 H new ATOM 0 HB2 TYR B 76 2.888 -3.186 9.342 1.00 1.18 H new ATOM 0 HB3 TYR B 76 1.511 -2.674 8.387 1.00 1.18 H new ATOM 0 HD1 TYR B 76 4.725 -4.561 8.250 1.00 1.83 H new ATOM 0 HD2 TYR B 76 1.004 -3.727 6.258 1.00 2.48 H new ATOM 0 HE1 TYR B 76 5.440 -5.959 6.323 1.00 2.67 H new ATOM 0 HE2 TYR B 76 1.785 -5.000 4.272 1.00 3.02 H new ATOM 0 HH TYR B 76 3.418 -6.192 3.367 1.00 3.92 H new ATOM 2858 N TRP B 77 1.938 -0.564 6.250 1.00 1.07 N ATOM 2859 CA TRP B 77 1.569 -0.118 4.921 1.00 1.06 C ATOM 2860 C TRP B 77 2.822 0.356 4.160 1.00 0.85 C ATOM 2861 O TRP B 77 3.022 -0.057 3.017 1.00 0.78 O ATOM 2862 CB TRP B 77 0.458 0.967 4.957 1.00 1.18 C ATOM 2863 CG TRP B 77 0.412 1.735 3.669 1.00 1.17 C ATOM 2864 CD1 TRP B 77 0.632 1.131 2.485 1.00 1.63 C ATOM 2865 CD2 TRP B 77 0.639 3.153 3.394 1.00 2.16 C ATOM 2866 NE1 TRP B 77 1.419 1.974 1.734 1.00 1.80 N ATOM 2867 CE2 TRP B 77 1.513 3.229 2.279 1.00 2.07 C ATOM 2868 CE3 TRP B 77 0.098 4.381 3.825 1.00 3.75 C ATOM 2869 CZ2 TRP B 77 2.081 4.430 1.834 1.00 3.21 C ATOM 2870 CZ3 TRP B 77 0.330 5.533 3.044 1.00 4.62 C ATOM 2871 CH2 TRP B 77 1.484 5.622 2.252 1.00 4.32 C ATOM 0 H TRP B 77 1.266 -0.305 6.973 1.00 1.07 H new ATOM 0 HA TRP B 77 1.142 -0.963 4.381 1.00 1.06 H new ATOM 0 HB2 TRP B 77 -0.508 0.497 5.138 1.00 1.18 H new ATOM 0 HB3 TRP B 77 0.640 1.651 5.786 1.00 1.18 H new ATOM 0 HD1 TRP B 77 0.260 0.164 2.181 1.00 1.63 H new ATOM 0 HE1 TRP B 77 1.881 1.696 0.868 1.00 1.80 H new ATOM 0 HE3 TRP B 77 -0.482 4.439 4.734 1.00 3.75 H new ATOM 0 HZ2 TRP B 77 2.949 4.434 1.191 1.00 3.21 H new ATOM 0 HZ3 TRP B 77 -0.381 6.346 3.056 1.00 4.62 H new ATOM 0 HH2 TRP B 77 1.898 6.580 1.974 1.00 4.32 H new ATOM 2882 N ARG B 78 3.664 1.197 4.778 1.00 0.79 N ATOM 2883 CA ARG B 78 4.828 1.760 4.105 1.00 0.69 C ATOM 2884 C ARG B 78 5.573 0.737 3.245 1.00 0.64 C ATOM 2885 O ARG B 78 5.968 1.085 2.141 1.00 0.65 O ATOM 2886 CB ARG B 78 5.798 2.402 5.098 1.00 0.70 C ATOM 2887 CG ARG B 78 5.272 3.593 5.910 1.00 0.97 C ATOM 2888 CD ARG B 78 4.571 4.716 5.123 1.00 2.43 C ATOM 2889 NE ARG B 78 3.815 5.578 6.047 1.00 3.55 N ATOM 2890 CZ ARG B 78 2.773 5.134 6.771 1.00 5.13 C ATOM 2891 NH1 ARG B 78 2.170 3.990 6.444 1.00 6.09 N ATOM 2892 NH2 ARG B 78 2.352 5.782 7.860 1.00 6.39 N ATOM 0 H ARG B 78 3.554 1.499 5.746 1.00 0.79 H new ATOM 0 HA ARG B 78 4.437 2.530 3.440 1.00 0.69 H new ATOM 0 HB2 ARG B 78 6.126 1.633 5.797 1.00 0.70 H new ATOM 0 HB3 ARG B 78 6.680 2.730 4.547 1.00 0.70 H new ATOM 0 HG2 ARG B 78 4.573 3.214 6.655 1.00 0.97 H new ATOM 0 HG3 ARG B 78 6.110 4.031 6.452 1.00 0.97 H new ATOM 0 HD2 ARG B 78 5.309 5.308 4.581 1.00 2.43 H new ATOM 0 HD3 ARG B 78 3.899 4.287 4.380 1.00 2.43 H new ATOM 0 HE ARG B 78 4.094 6.554 6.142 1.00 3.55 H new ATOM 0 HH11 ARG B 78 2.499 3.451 5.643 1.00 6.09 H new ATOM 0 HH12 ARG B 78 1.380 3.655 6.995 1.00 6.09 H new ATOM 0 HH21 ARG B 78 2.824 6.635 8.160 1.00 6.39 H new ATOM 0 HH22 ARG B 78 1.559 5.424 8.392 1.00 6.39 H new ATOM 2906 N LEU B 79 5.723 -0.520 3.677 1.00 0.68 N ATOM 2907 CA LEU B 79 6.382 -1.512 2.839 1.00 0.72 C ATOM 2908 C LEU B 79 5.710 -1.629 1.458 1.00 0.79 C ATOM 2909 O LEU B 79 6.399 -1.574 0.448 1.00 0.85 O ATOM 2910 CB LEU B 79 6.470 -2.862 3.565 1.00 0.79 C ATOM 2911 CG LEU B 79 7.649 -3.717 3.059 1.00 0.72 C ATOM 2912 CD1 LEU B 79 9.001 -3.280 3.650 1.00 0.73 C ATOM 2913 CD2 LEU B 79 7.376 -5.194 3.362 1.00 0.85 C ATOM 0 H LEU B 79 5.403 -0.864 4.582 1.00 0.68 H new ATOM 0 HA LEU B 79 7.402 -1.176 2.653 1.00 0.72 H new ATOM 0 HB2 LEU B 79 6.580 -2.691 4.636 1.00 0.79 H new ATOM 0 HB3 LEU B 79 5.538 -3.410 3.424 1.00 0.79 H new ATOM 0 HG LEU B 79 7.725 -3.569 1.982 1.00 0.72 H new ATOM 0 HD11 LEU B 79 9.793 -3.918 3.258 1.00 0.73 H new ATOM 0 HD12 LEU B 79 9.200 -2.244 3.376 1.00 0.73 H new ATOM 0 HD13 LEU B 79 8.969 -3.368 4.736 1.00 0.73 H new ATOM 0 HD21 LEU B 79 8.209 -5.799 3.004 1.00 0.85 H new ATOM 0 HD22 LEU B 79 7.264 -5.330 4.438 1.00 0.85 H new ATOM 0 HD23 LEU B 79 6.460 -5.505 2.860 1.00 0.85 H new ATOM 2925 N ILE B 80 4.377 -1.737 1.377 1.00 0.88 N ATOM 2926 CA ILE B 80 3.651 -1.810 0.121 1.00 1.08 C ATOM 2927 C ILE B 80 3.726 -0.442 -0.571 1.00 1.25 C ATOM 2928 O ILE B 80 3.829 -0.364 -1.795 1.00 1.45 O ATOM 2929 CB ILE B 80 2.187 -2.256 0.339 1.00 1.18 C ATOM 2930 CG1 ILE B 80 1.972 -3.150 1.580 1.00 1.38 C ATOM 2931 CG2 ILE B 80 1.728 -2.998 -0.926 1.00 1.41 C ATOM 2932 CD1 ILE B 80 0.503 -3.548 1.757 1.00 1.75 C ATOM 0 H ILE B 80 3.773 -1.776 2.198 1.00 0.88 H new ATOM 0 HA ILE B 80 4.111 -2.563 -0.519 1.00 1.08 H new ATOM 0 HB ILE B 80 1.596 -1.359 0.525 1.00 1.18 H new ATOM 0 HG12 ILE B 80 2.582 -4.049 1.489 1.00 1.38 H new ATOM 0 HG13 ILE B 80 2.314 -2.622 2.470 1.00 1.38 H new ATOM 0 HG21 ILE B 80 0.696 -3.326 -0.801 1.00 1.41 H new ATOM 0 HG22 ILE B 80 1.795 -2.330 -1.784 1.00 1.41 H new ATOM 0 HG23 ILE B 80 2.367 -3.866 -1.091 1.00 1.41 H new ATOM 0 HD11 ILE B 80 0.400 -4.176 2.642 1.00 1.75 H new ATOM 0 HD12 ILE B 80 -0.105 -2.651 1.876 1.00 1.75 H new ATOM 0 HD13 ILE B 80 0.167 -4.100 0.879 1.00 1.75 H new ATOM 2944 N GLY B 81 3.715 0.625 0.247 1.00 1.29 N ATOM 2945 CA GLY B 81 4.008 2.003 -0.134 1.00 1.53 C ATOM 2946 C GLY B 81 5.186 2.044 -1.082 1.00 1.46 C ATOM 2947 O GLY B 81 5.154 2.631 -2.164 1.00 1.76 O ATOM 0 H GLY B 81 3.490 0.537 1.238 1.00 1.29 H new ATOM 0 HA2 GLY B 81 3.135 2.450 -0.608 1.00 1.53 H new ATOM 0 HA3 GLY B 81 4.226 2.595 0.755 1.00 1.53 H new ATOM 2951 N GLU B 82 6.231 1.391 -0.603 1.00 1.14 N ATOM 2952 CA GLU B 82 7.516 1.321 -1.228 1.00 1.13 C ATOM 2953 C GLU B 82 7.446 0.333 -2.390 1.00 1.22 C ATOM 2954 O GLU B 82 7.623 0.768 -3.513 1.00 1.37 O ATOM 2955 CB GLU B 82 8.557 1.019 -0.148 1.00 0.99 C ATOM 2956 CG GLU B 82 8.522 2.100 0.957 1.00 0.93 C ATOM 2957 CD GLU B 82 9.578 3.176 0.761 1.00 1.35 C ATOM 2958 OE1 GLU B 82 10.695 2.994 1.286 1.00 1.86 O ATOM 2959 OE2 GLU B 82 9.240 4.170 0.078 1.00 2.71 O ATOM 0 H GLU B 82 6.192 0.874 0.276 1.00 1.14 H new ATOM 0 HA GLU B 82 7.828 2.263 -1.680 1.00 1.13 H new ATOM 0 HB2 GLU B 82 8.363 0.039 0.288 1.00 0.99 H new ATOM 0 HB3 GLU B 82 9.551 0.979 -0.594 1.00 0.99 H new ATOM 0 HG2 GLU B 82 7.536 2.564 0.974 1.00 0.93 H new ATOM 0 HG3 GLU B 82 8.668 1.626 1.928 1.00 0.93 H new ATOM 2966 N LEU B 83 7.124 -0.950 -2.180 1.00 1.17 N ATOM 2967 CA LEU B 83 7.173 -2.010 -3.200 1.00 1.20 C ATOM 2968 C LEU B 83 6.731 -1.517 -4.591 1.00 1.13 C ATOM 2969 O LEU B 83 7.477 -1.603 -5.569 1.00 1.14 O ATOM 2970 CB LEU B 83 6.215 -3.149 -2.790 1.00 1.71 C ATOM 2971 CG LEU B 83 6.795 -4.368 -2.059 1.00 0.69 C ATOM 2972 CD1 LEU B 83 7.620 -4.056 -0.815 1.00 2.13 C ATOM 2973 CD2 LEU B 83 5.685 -5.360 -1.694 1.00 1.86 C ATOM 0 H LEU B 83 6.813 -1.291 -1.270 1.00 1.17 H new ATOM 0 HA LEU B 83 8.209 -2.343 -3.261 1.00 1.20 H new ATOM 0 HB2 LEU B 83 5.442 -2.718 -2.154 1.00 1.71 H new ATOM 0 HB3 LEU B 83 5.722 -3.508 -3.693 1.00 1.71 H new ATOM 0 HG LEU B 83 7.491 -4.804 -2.776 1.00 0.69 H new ATOM 0 HD11 LEU B 83 7.982 -4.986 -0.376 1.00 2.13 H new ATOM 0 HD12 LEU B 83 8.469 -3.430 -1.089 1.00 2.13 H new ATOM 0 HD13 LEU B 83 7.000 -3.529 -0.090 1.00 2.13 H new ATOM 0 HD21 LEU B 83 6.118 -6.216 -1.177 1.00 1.86 H new ATOM 0 HD22 LEU B 83 4.960 -4.871 -1.043 1.00 1.86 H new ATOM 0 HD23 LEU B 83 5.187 -5.699 -2.602 1.00 1.86 H new ATOM 2985 N ALA B 84 5.496 -1.010 -4.661 1.00 1.17 N ATOM 2986 CA ALA B 84 4.861 -0.556 -5.894 1.00 1.19 C ATOM 2987 C ALA B 84 5.609 0.606 -6.549 1.00 1.25 C ATOM 2988 O ALA B 84 5.544 0.801 -7.759 1.00 1.61 O ATOM 2989 CB ALA B 84 3.434 -0.135 -5.559 1.00 1.23 C ATOM 0 H ALA B 84 4.899 -0.903 -3.841 1.00 1.17 H new ATOM 0 HA ALA B 84 4.874 -1.375 -6.613 1.00 1.19 H new ATOM 0 HB1 ALA B 84 2.934 0.210 -6.464 1.00 1.23 H new ATOM 0 HB2 ALA B 84 2.891 -0.985 -5.146 1.00 1.23 H new ATOM 0 HB3 ALA B 84 3.455 0.672 -4.827 1.00 1.23 H new ATOM 2995 N LYS B 85 6.294 1.413 -5.748 1.00 1.01 N ATOM 2996 CA LYS B 85 7.179 2.453 -6.224 1.00 1.06 C ATOM 2997 C LYS B 85 8.530 1.852 -6.624 1.00 1.02 C ATOM 2998 O LYS B 85 8.985 2.094 -7.737 1.00 1.02 O ATOM 2999 CB LYS B 85 7.241 3.525 -5.137 1.00 1.25 C ATOM 3000 CG LYS B 85 8.312 4.588 -5.368 1.00 1.28 C ATOM 3001 CD LYS B 85 8.020 5.802 -4.493 1.00 1.80 C ATOM 3002 CE LYS B 85 7.776 5.420 -3.030 1.00 0.90 C ATOM 3003 NZ LYS B 85 8.897 4.656 -2.430 1.00 1.29 N ATOM 0 H LYS B 85 6.245 1.357 -4.731 1.00 1.01 H new ATOM 0 HA LYS B 85 6.816 2.931 -7.134 1.00 1.06 H new ATOM 0 HB2 LYS B 85 6.269 4.013 -5.068 1.00 1.25 H new ATOM 0 HB3 LYS B 85 7.424 3.043 -4.177 1.00 1.25 H new ATOM 0 HG2 LYS B 85 9.297 4.185 -5.132 1.00 1.28 H new ATOM 0 HG3 LYS B 85 8.330 4.879 -6.418 1.00 1.28 H new ATOM 0 HD2 LYS B 85 8.857 6.498 -4.550 1.00 1.80 H new ATOM 0 HD3 LYS B 85 7.145 6.324 -4.880 1.00 1.80 H new ATOM 0 HE2 LYS B 85 7.610 6.326 -2.448 1.00 0.90 H new ATOM 0 HE3 LYS B 85 6.864 4.827 -2.964 1.00 0.90 H new ATOM 0 HZ1 LYS B 85 8.650 4.384 -1.457 1.00 1.29 H new ATOM 0 HZ2 LYS B 85 9.075 3.801 -2.994 1.00 1.29 H new ATOM 0 HZ3 LYS B 85 9.753 5.247 -2.418 1.00 1.29 H new ATOM 3017 N GLU B 86 9.172 1.070 -5.756 1.00 1.07 N ATOM 3018 CA GLU B 86 10.488 0.492 -5.990 1.00 1.12 C ATOM 3019 C GLU B 86 10.562 -0.239 -7.325 1.00 1.11 C ATOM 3020 O GLU B 86 11.523 -0.039 -8.062 1.00 1.36 O ATOM 3021 CB GLU B 86 10.906 -0.426 -4.833 1.00 1.17 C ATOM 3022 CG GLU B 86 10.848 0.256 -3.453 1.00 1.35 C ATOM 3023 CD GLU B 86 11.088 1.770 -3.475 1.00 2.38 C ATOM 3024 OE1 GLU B 86 12.246 2.171 -3.712 1.00 2.60 O ATOM 3025 OE2 GLU B 86 10.098 2.520 -3.295 1.00 3.52 O ATOM 0 H GLU B 86 8.779 0.817 -4.850 1.00 1.07 H new ATOM 0 HA GLU B 86 11.196 1.319 -6.037 1.00 1.12 H new ATOM 0 HB2 GLU B 86 10.258 -1.302 -4.823 1.00 1.17 H new ATOM 0 HB3 GLU B 86 11.921 -0.782 -5.011 1.00 1.17 H new ATOM 0 HG2 GLU B 86 9.872 0.063 -3.009 1.00 1.35 H new ATOM 0 HG3 GLU B 86 11.591 -0.206 -2.803 1.00 1.35 H new ATOM 3032 N ILE B 87 9.555 -1.048 -7.677 1.00 0.89 N ATOM 3033 CA ILE B 87 9.542 -1.682 -8.986 1.00 0.86 C ATOM 3034 C ILE B 87 9.717 -0.652 -10.121 1.00 1.02 C ATOM 3035 O ILE B 87 10.381 -0.925 -11.119 1.00 1.20 O ATOM 3036 CB ILE B 87 8.269 -2.542 -9.122 1.00 0.71 C ATOM 3037 CG1 ILE B 87 8.470 -3.596 -10.220 1.00 0.82 C ATOM 3038 CG2 ILE B 87 7.020 -1.702 -9.399 1.00 0.84 C ATOM 3039 CD1 ILE B 87 7.523 -4.767 -9.992 1.00 0.71 C ATOM 0 H ILE B 87 8.757 -1.271 -7.082 1.00 0.89 H new ATOM 0 HA ILE B 87 10.400 -2.348 -9.079 1.00 0.86 H new ATOM 0 HB ILE B 87 8.103 -3.039 -8.166 1.00 0.71 H new ATOM 0 HG12 ILE B 87 8.287 -3.154 -11.199 1.00 0.82 H new ATOM 0 HG13 ILE B 87 9.502 -3.946 -10.216 1.00 0.82 H new ATOM 0 HG21 ILE B 87 6.153 -2.357 -9.486 1.00 0.84 H new ATOM 0 HG22 ILE B 87 6.864 -1.000 -8.579 1.00 0.84 H new ATOM 0 HG23 ILE B 87 7.152 -1.150 -10.329 1.00 0.84 H new ATOM 0 HD11 ILE B 87 7.670 -5.512 -10.774 1.00 0.71 H new ATOM 0 HD12 ILE B 87 7.727 -5.216 -9.020 1.00 0.71 H new ATOM 0 HD13 ILE B 87 6.493 -4.412 -10.018 1.00 0.71 H new ATOM 3051 N ARG B 88 9.099 0.526 -9.973 1.00 1.11 N ATOM 3052 CA ARG B 88 9.128 1.630 -10.924 1.00 1.53 C ATOM 3053 C ARG B 88 10.367 2.537 -10.790 1.00 1.79 C ATOM 3054 O ARG B 88 10.753 3.182 -11.768 1.00 2.52 O ATOM 3055 CB ARG B 88 7.800 2.400 -10.795 1.00 1.73 C ATOM 3056 CG ARG B 88 7.541 3.370 -11.954 1.00 2.16 C ATOM 3057 CD ARG B 88 7.937 4.811 -11.606 1.00 2.22 C ATOM 3058 NE ARG B 88 7.907 5.672 -12.798 1.00 2.68 N ATOM 3059 CZ ARG B 88 8.852 5.702 -13.751 1.00 2.77 C ATOM 3060 NH1 ARG B 88 9.938 4.925 -13.657 1.00 3.18 N ATOM 3061 NH2 ARG B 88 8.719 6.506 -14.808 1.00 3.54 N ATOM 0 H ARG B 88 8.541 0.739 -9.146 1.00 1.11 H new ATOM 0 HA ARG B 88 9.224 1.225 -11.932 1.00 1.53 H new ATOM 0 HB2 ARG B 88 6.979 1.686 -10.739 1.00 1.73 H new ATOM 0 HB3 ARG B 88 7.802 2.958 -9.858 1.00 1.73 H new ATOM 0 HG2 ARG B 88 8.101 3.043 -12.830 1.00 2.16 H new ATOM 0 HG3 ARG B 88 6.485 3.340 -12.221 1.00 2.16 H new ATOM 0 HD2 ARG B 88 7.257 5.206 -10.851 1.00 2.22 H new ATOM 0 HD3 ARG B 88 8.936 4.822 -11.171 1.00 2.22 H new ATOM 0 HE ARG B 88 7.106 6.294 -12.909 1.00 2.68 H new ATOM 0 HH11 ARG B 88 10.053 4.303 -12.856 1.00 3.18 H new ATOM 0 HH12 ARG B 88 10.651 4.954 -14.386 1.00 3.18 H new ATOM 0 HH21 ARG B 88 7.896 7.102 -14.895 1.00 3.54 H new ATOM 0 HH22 ARG B 88 9.440 6.524 -15.529 1.00 3.54 H new ATOM 3075 N LYS B 89 10.920 2.683 -9.581 1.00 1.35 N ATOM 3076 CA LYS B 89 11.861 3.738 -9.190 1.00 1.69 C ATOM 3077 C LYS B 89 13.319 3.258 -9.251 1.00 2.08 C ATOM 3078 O LYS B 89 13.589 2.076 -9.057 1.00 2.36 O ATOM 3079 CB LYS B 89 11.454 4.204 -7.788 1.00 1.45 C ATOM 3080 CG LYS B 89 12.110 5.522 -7.377 1.00 2.16 C ATOM 3081 CD LYS B 89 11.435 6.023 -6.095 1.00 2.38 C ATOM 3082 CE LYS B 89 12.066 7.314 -5.570 1.00 3.51 C ATOM 3083 NZ LYS B 89 11.810 8.472 -6.451 1.00 4.79 N ATOM 0 H LYS B 89 10.715 2.041 -8.815 1.00 1.35 H new ATOM 0 HA LYS B 89 11.813 4.573 -9.889 1.00 1.69 H new ATOM 0 HB2 LYS B 89 10.371 4.318 -7.750 1.00 1.45 H new ATOM 0 HB3 LYS B 89 11.719 3.433 -7.065 1.00 1.45 H new ATOM 0 HG2 LYS B 89 13.178 5.378 -7.211 1.00 2.16 H new ATOM 0 HG3 LYS B 89 12.007 6.260 -8.172 1.00 2.16 H new ATOM 0 HD2 LYS B 89 10.376 6.192 -6.288 1.00 2.38 H new ATOM 0 HD3 LYS B 89 11.501 5.252 -5.328 1.00 2.38 H new ATOM 0 HE2 LYS B 89 11.675 7.526 -4.575 1.00 3.51 H new ATOM 0 HE3 LYS B 89 13.142 7.172 -5.466 1.00 3.51 H new ATOM 0 HZ1 LYS B 89 12.406 9.271 -6.156 1.00 4.79 H new ATOM 0 HZ2 LYS B 89 12.035 8.217 -7.434 1.00 4.79 H new ATOM 0 HZ3 LYS B 89 10.808 8.744 -6.384 1.00 4.79 H new ATOM 3097 N LYS B 90 14.266 4.149 -9.583 1.00 2.69 N ATOM 3098 CA LYS B 90 15.668 3.771 -9.734 1.00 3.17 C ATOM 3099 C LYS B 90 16.419 3.770 -8.399 1.00 2.81 C ATOM 3100 O LYS B 90 16.992 2.758 -8.003 1.00 2.93 O ATOM 3101 CB LYS B 90 16.348 4.633 -10.816 1.00 3.96 C ATOM 3102 CG LYS B 90 16.977 3.757 -11.910 1.00 4.29 C ATOM 3103 CD LYS B 90 18.184 2.958 -11.385 1.00 3.51 C ATOM 3104 CE LYS B 90 18.568 1.797 -12.314 1.00 4.19 C ATOM 3105 NZ LYS B 90 17.581 0.695 -12.270 1.00 4.90 N ATOM 0 H LYS B 90 14.079 5.138 -9.751 1.00 2.69 H new ATOM 0 HA LYS B 90 15.705 2.738 -10.079 1.00 3.17 H new ATOM 0 HB2 LYS B 90 15.616 5.306 -11.262 1.00 3.96 H new ATOM 0 HB3 LYS B 90 17.117 5.256 -10.359 1.00 3.96 H new ATOM 0 HG2 LYS B 90 16.227 3.068 -12.299 1.00 4.29 H new ATOM 0 HG3 LYS B 90 17.293 4.387 -12.742 1.00 4.29 H new ATOM 0 HD2 LYS B 90 19.037 3.627 -11.272 1.00 3.51 H new ATOM 0 HD3 LYS B 90 17.953 2.566 -10.395 1.00 3.51 H new ATOM 0 HE2 LYS B 90 18.653 2.165 -13.336 1.00 4.19 H new ATOM 0 HE3 LYS B 90 19.549 1.416 -12.030 1.00 4.19 H new ATOM 0 HZ1 LYS B 90 17.960 -0.131 -12.775 1.00 4.90 H new ATOM 0 HZ2 LYS B 90 17.391 0.438 -11.280 1.00 4.90 H new ATOM 0 HZ3 LYS B 90 16.697 1.002 -12.724 1.00 4.90 H new ATOM 3119 N LYS B 91 16.473 4.940 -7.757 1.00 2.61 N ATOM 3120 CA LYS B 91 17.235 5.201 -6.522 1.00 2.41 C ATOM 3121 C LYS B 91 16.861 6.551 -5.897 1.00 2.19 C ATOM 3122 O LYS B 91 17.495 7.035 -4.960 1.00 2.29 O ATOM 3123 CB LYS B 91 18.747 5.182 -6.826 1.00 3.18 C ATOM 3124 CG LYS B 91 19.139 6.225 -7.889 1.00 4.83 C ATOM 3125 CD LYS B 91 20.657 6.440 -7.925 1.00 5.78 C ATOM 3126 CE LYS B 91 21.009 7.508 -8.974 1.00 7.56 C ATOM 3127 NZ LYS B 91 22.452 7.830 -8.989 1.00 8.51 N ATOM 0 H LYS B 91 15.972 5.763 -8.090 1.00 2.61 H new ATOM 0 HA LYS B 91 16.985 4.416 -5.809 1.00 2.41 H new ATOM 0 HB2 LYS B 91 19.303 5.374 -5.908 1.00 3.18 H new ATOM 0 HB3 LYS B 91 19.034 4.189 -7.171 1.00 3.18 H new ATOM 0 HG2 LYS B 91 18.793 5.897 -8.869 1.00 4.83 H new ATOM 0 HG3 LYS B 91 18.641 7.170 -7.675 1.00 4.83 H new ATOM 0 HD2 LYS B 91 21.012 6.751 -6.943 1.00 5.78 H new ATOM 0 HD3 LYS B 91 21.160 5.503 -8.164 1.00 5.78 H new ATOM 0 HE2 LYS B 91 20.708 7.157 -9.961 1.00 7.56 H new ATOM 0 HE3 LYS B 91 20.439 8.415 -8.771 1.00 7.56 H new ATOM 0 HZ1 LYS B 91 22.639 8.554 -9.712 1.00 8.51 H new ATOM 0 HZ2 LYS B 91 22.737 8.191 -8.056 1.00 8.51 H new ATOM 0 HZ3 LYS B 91 22.997 6.972 -9.210 1.00 8.51 H new ATOM 3141 N ASP B 92 15.881 7.214 -6.493 1.00 2.25 N ATOM 3142 CA ASP B 92 15.786 8.656 -6.586 1.00 2.54 C ATOM 3143 C ASP B 92 14.939 9.156 -5.417 1.00 2.68 C ATOM 3144 O ASP B 92 13.914 9.811 -5.605 1.00 3.58 O ATOM 3145 CB ASP B 92 15.270 9.007 -8.004 1.00 2.92 C ATOM 3146 CG ASP B 92 14.255 8.014 -8.582 1.00 3.37 C ATOM 3147 OD1 ASP B 92 14.630 6.827 -8.767 1.00 3.88 O ATOM 3148 OD2 ASP B 92 13.082 8.416 -8.714 1.00 4.42 O ATOM 0 H ASP B 92 15.099 6.738 -6.943 1.00 2.25 H new ATOM 0 HA ASP B 92 16.742 9.170 -6.486 1.00 2.54 H new ATOM 0 HB2 ASP B 92 14.813 9.996 -7.975 1.00 2.92 H new ATOM 0 HB3 ASP B 92 16.122 9.069 -8.681 1.00 2.92 H new ATOM 3153 N LEU B 93 15.337 8.753 -4.205 1.00 2.18 N ATOM 3154 CA LEU B 93 14.573 8.893 -2.985 1.00 2.46 C ATOM 3155 C LEU B 93 15.183 10.007 -2.125 1.00 2.40 C ATOM 3156 O LEU B 93 14.582 11.072 -2.006 1.00 2.86 O ATOM 3157 CB LEU B 93 14.543 7.510 -2.315 1.00 2.85 C ATOM 3158 CG LEU B 93 13.950 7.521 -0.907 1.00 3.62 C ATOM 3159 CD1 LEU B 93 12.509 8.044 -0.873 1.00 4.85 C ATOM 3160 CD2 LEU B 93 14.002 6.111 -0.308 1.00 4.47 C ATOM 0 H LEU B 93 16.240 8.303 -4.054 1.00 2.18 H new ATOM 0 HA LEU B 93 13.542 9.200 -3.159 1.00 2.46 H new ATOM 0 HB2 LEU B 93 13.965 6.827 -2.938 1.00 2.85 H new ATOM 0 HB3 LEU B 93 15.559 7.117 -2.269 1.00 2.85 H new ATOM 0 HG LEU B 93 14.555 8.206 -0.313 1.00 3.62 H new ATOM 0 HD11 LEU B 93 12.140 8.029 0.153 1.00 4.85 H new ATOM 0 HD12 LEU B 93 12.484 9.065 -1.253 1.00 4.85 H new ATOM 0 HD13 LEU B 93 11.877 7.410 -1.495 1.00 4.85 H new ATOM 0 HD21 LEU B 93 13.578 6.126 0.696 1.00 4.47 H new ATOM 0 HD22 LEU B 93 13.428 5.428 -0.934 1.00 4.47 H new ATOM 0 HD23 LEU B 93 15.038 5.774 -0.259 1.00 4.47 H new ATOM 3172 N LYS B 94 16.359 9.782 -1.524 1.00 2.27 N ATOM 3173 CA LYS B 94 17.043 10.779 -0.698 1.00 2.55 C ATOM 3174 C LYS B 94 18.457 10.309 -0.358 1.00 3.00 C ATOM 3175 O LYS B 94 18.742 9.117 -0.431 1.00 3.70 O ATOM 3176 CB LYS B 94 16.261 11.080 0.600 1.00 3.17 C ATOM 3177 CG LYS B 94 16.188 9.879 1.561 1.00 3.81 C ATOM 3178 CD LYS B 94 14.871 9.816 2.354 1.00 5.33 C ATOM 3179 CE LYS B 94 14.802 10.713 3.600 1.00 6.90 C ATOM 3180 NZ LYS B 94 15.134 12.126 3.331 1.00 7.52 N ATOM 0 H LYS B 94 16.863 8.898 -1.599 1.00 2.27 H new ATOM 0 HA LYS B 94 17.099 11.701 -1.277 1.00 2.55 H new ATOM 0 HB2 LYS B 94 16.732 11.919 1.113 1.00 3.17 H new ATOM 0 HB3 LYS B 94 15.249 11.392 0.342 1.00 3.17 H new ATOM 0 HG2 LYS B 94 16.305 8.958 0.990 1.00 3.81 H new ATOM 0 HG3 LYS B 94 17.023 9.930 2.260 1.00 3.81 H new ATOM 0 HD2 LYS B 94 14.053 10.088 1.687 1.00 5.33 H new ATOM 0 HD3 LYS B 94 14.702 8.784 2.662 1.00 5.33 H new ATOM 0 HE2 LYS B 94 13.798 10.658 4.021 1.00 6.90 H new ATOM 0 HE3 LYS B 94 15.486 10.325 4.355 1.00 6.90 H new ATOM 0 HZ1 LYS B 94 14.710 12.728 4.065 1.00 7.52 H new ATOM 0 HZ2 LYS B 94 16.167 12.247 3.337 1.00 7.52 H new ATOM 0 HZ3 LYS B 94 14.759 12.400 2.400 1.00 7.52 H new ATOM 3194 N ILE B 95 19.304 11.247 0.078 1.00 3.91 N ATOM 3195 CA ILE B 95 20.594 10.977 0.708 1.00 5.37 C ATOM 3196 C ILE B 95 20.839 12.063 1.769 1.00 5.55 C ATOM 3197 O ILE B 95 21.886 12.711 1.836 1.00 6.62 O ATOM 3198 CB ILE B 95 21.692 10.810 -0.365 1.00 7.10 C ATOM 3199 CG1 ILE B 95 23.062 10.373 0.188 1.00 8.54 C ATOM 3200 CG2 ILE B 95 21.864 12.060 -1.242 1.00 7.97 C ATOM 3201 CD1 ILE B 95 22.996 9.092 1.025 1.00 9.16 C ATOM 0 H ILE B 95 19.102 12.244 -0.002 1.00 3.91 H new ATOM 0 HA ILE B 95 20.610 10.025 1.238 1.00 5.37 H new ATOM 0 HB ILE B 95 21.320 9.993 -0.984 1.00 7.10 H new ATOM 0 HG12 ILE B 95 23.750 10.221 -0.644 1.00 8.54 H new ATOM 0 HG13 ILE B 95 23.473 11.177 0.798 1.00 8.54 H new ATOM 0 HG21 ILE B 95 22.649 11.883 -1.977 1.00 7.97 H new ATOM 0 HG22 ILE B 95 20.927 12.276 -1.756 1.00 7.97 H new ATOM 0 HG23 ILE B 95 22.138 12.909 -0.616 1.00 7.97 H new ATOM 0 HD11 ILE B 95 23.994 8.840 1.384 1.00 9.16 H new ATOM 0 HD12 ILE B 95 22.333 9.247 1.876 1.00 9.16 H new ATOM 0 HD13 ILE B 95 22.614 8.276 0.412 1.00 9.16 H new ATOM 3213 N ARG B 96 19.817 12.286 2.603 1.00 4.78 N ATOM 3214 CA ARG B 96 19.871 13.227 3.707 1.00 4.95 C ATOM 3215 C ARG B 96 18.679 12.994 4.634 1.00 4.48 C ATOM 3216 O ARG B 96 17.613 12.572 4.173 1.00 4.13 O ATOM 3217 CB ARG B 96 19.863 14.676 3.182 1.00 5.02 C ATOM 3218 CG ARG B 96 20.463 15.693 4.168 1.00 5.71 C ATOM 3219 CD ARG B 96 21.971 15.491 4.390 1.00 6.34 C ATOM 3220 NE ARG B 96 22.709 15.471 3.114 1.00 6.91 N ATOM 3221 CZ ARG B 96 23.186 16.558 2.480 1.00 7.72 C ATOM 3222 NH1 ARG B 96 22.949 17.780 2.974 1.00 7.89 N ATOM 3223 NH2 ARG B 96 23.890 16.421 1.352 1.00 8.85 N ATOM 0 H ARG B 96 18.920 11.807 2.521 1.00 4.78 H new ATOM 0 HA ARG B 96 20.795 13.070 4.263 1.00 4.95 H new ATOM 0 HB2 ARG B 96 20.421 14.717 2.246 1.00 5.02 H new ATOM 0 HB3 ARG B 96 18.837 14.965 2.955 1.00 5.02 H new ATOM 0 HG2 ARG B 96 20.288 16.702 3.794 1.00 5.71 H new ATOM 0 HG3 ARG B 96 19.946 15.613 5.124 1.00 5.71 H new ATOM 0 HD2 ARG B 96 22.357 16.291 5.022 1.00 6.34 H new ATOM 0 HD3 ARG B 96 22.139 14.555 4.923 1.00 6.34 H new ATOM 0 HE ARG B 96 22.871 14.563 2.678 1.00 6.91 H new ATOM 0 HH11 ARG B 96 22.407 17.887 3.831 1.00 7.89 H new ATOM 0 HH12 ARG B 96 23.311 18.604 2.493 1.00 7.89 H new ATOM 0 HH21 ARG B 96 24.066 15.492 0.971 1.00 8.85 H new ATOM 0 HH22 ARG B 96 24.251 17.246 0.873 1.00 8.85 H new ATOM 3237 N LYS B 97 18.872 13.328 5.910 1.00 5.09 N ATOM 3238 CA LYS B 97 17.914 13.367 7.002 1.00 5.23 C ATOM 3239 C LYS B 97 18.707 13.878 8.203 1.00 6.17 C ATOM 3240 O LYS B 97 19.860 13.490 8.379 1.00 7.29 O ATOM 3241 CB LYS B 97 17.275 11.993 7.284 1.00 6.17 C ATOM 3242 CG LYS B 97 16.344 12.019 8.515 1.00 6.78 C ATOM 3243 CD LYS B 97 17.034 11.453 9.771 1.00 8.30 C ATOM 3244 CE LYS B 97 16.366 11.856 11.097 1.00 9.01 C ATOM 3245 NZ LYS B 97 14.897 11.719 11.092 1.00 8.78 N ATOM 0 H LYS B 97 19.800 13.605 6.231 1.00 5.09 H new ATOM 0 HA LYS B 97 17.069 14.012 6.761 1.00 5.23 H new ATOM 0 HB2 LYS B 97 16.708 11.673 6.410 1.00 6.17 H new ATOM 0 HB3 LYS B 97 18.061 11.255 7.442 1.00 6.17 H new ATOM 0 HG2 LYS B 97 16.025 13.043 8.707 1.00 6.78 H new ATOM 0 HG3 LYS B 97 15.445 11.440 8.303 1.00 6.78 H new ATOM 0 HD2 LYS B 97 17.051 10.365 9.702 1.00 8.30 H new ATOM 0 HD3 LYS B 97 18.071 11.788 9.784 1.00 8.30 H new ATOM 0 HE2 LYS B 97 16.776 11.243 11.900 1.00 9.01 H new ATOM 0 HE3 LYS B 97 16.624 12.891 11.323 1.00 9.01 H new ATOM 0 HZ1 LYS B 97 14.527 11.910 12.045 1.00 8.78 H new ATOM 0 HZ2 LYS B 97 14.487 12.398 10.419 1.00 8.78 H new ATOM 0 HZ3 LYS B 97 14.639 10.752 10.808 1.00 8.78 H new ATOM 3259 N LYS B 98 18.112 14.782 8.975 1.00 5.95 N ATOM 3260 CA LYS B 98 18.575 15.225 10.271 1.00 6.91 C ATOM 3261 C LYS B 98 17.294 15.345 11.099 1.00 6.71 C ATOM 3262 O LYS B 98 16.213 15.216 10.472 1.00 6.09 O ATOM 3263 CB LYS B 98 19.368 16.537 10.121 1.00 7.22 C ATOM 3264 CG LYS B 98 19.806 17.118 11.472 1.00 8.37 C ATOM 3265 CD LYS B 98 18.808 18.179 11.972 1.00 8.00 C ATOM 3266 CE LYS B 98 18.764 18.263 13.502 1.00 8.83 C ATOM 3267 NZ LYS B 98 20.085 18.547 14.095 1.00 10.07 N ATOM 3268 OXT LYS B 98 17.409 15.482 12.335 1.00 7.61 O ATOM 0 H LYS B 98 17.249 15.245 8.692 1.00 5.95 H new ATOM 0 HA LYS B 98 19.273 14.547 10.763 1.00 6.91 H new ATOM 0 HB2 LYS B 98 20.249 16.357 9.504 1.00 7.22 H new ATOM 0 HB3 LYS B 98 18.755 17.270 9.596 1.00 7.22 H new ATOM 0 HG2 LYS B 98 19.887 16.317 12.206 1.00 8.37 H new ATOM 0 HG3 LYS B 98 20.796 17.563 11.375 1.00 8.37 H new ATOM 0 HD2 LYS B 98 19.082 19.152 11.565 1.00 8.00 H new ATOM 0 HD3 LYS B 98 17.813 17.944 11.595 1.00 8.00 H new ATOM 0 HE2 LYS B 98 18.062 19.042 13.799 1.00 8.83 H new ATOM 0 HE3 LYS B 98 18.385 17.323 13.903 1.00 8.83 H new ATOM 0 HZ1 LYS B 98 19.986 18.660 15.124 1.00 10.07 H new ATOM 0 HZ2 LYS B 98 20.733 17.758 13.894 1.00 10.07 H new ATOM 0 HZ3 LYS B 98 20.468 19.423 13.686 1.00 10.07 H new TER 3282 LYS B 98 HETATM 3283 CA CA A 197 -1.258 11.435 -15.738 1.00 1.15 CA HETATM 3284 CA CA A 198 1.241 16.866 -5.389 1.00 1.28 CA HETATM 3285 CA CA B 199 2.362 -10.114 15.319 1.00 0.97 CA HETATM 3286 CA CA B 200 4.929 0.688 15.844 1.00 1.47 CA