USER MOD reduce.3.24.130724 H: found=0, std=0, add=1235, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1235 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 43 ASN : amide:sc= 0.619 K(o=0.69,f=-0.5) USER MOD Set 1.2: A 113 ASN : amide:sc= 0.0688 K(o=0.69,f=-2.2!) USER MOD Set 2.1: A 99 THR OG1 : rot 49:sc= 1 USER MOD Set 2.2: A 103 GLN : amide:sc= 0.573 K(o=1.6,f=-1.5) USER MOD Set 3.1: A 91 SER OG : rot -151:sc= 0.373 USER MOD Set 3.2: A 94 ASN : amide:sc= 0.101 K(o=0.47,f=-3.3!) USER MOD Set 4.1: A 67 LYS NZ :NH3+ -144:sc= -0.555 (180deg=0) USER MOD Set 4.2: A 84 GLN : amide:sc= -0.62 K(o=-1.2,f=-7.8!) USER MOD Set 5.1: A 31 ASN : amide:sc= 0.644 K(o=1.4,f=-1.1) USER MOD Set 5.2: A 34 THR OG1 : rot 101:sc= 0.724 USER MOD Set 6.1: A 26 GLN : amide:sc= 0.101 X(o=0.079,f=-0.12) USER MOD Set 6.2: A 36 GLN : amide:sc= -0.022 K(o=0.079,f=-4.6!) USER MOD Single : A 4 SER OG : rot 180:sc= -1.64 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0545) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 CYS SG : rot -27:sc= 0.00294 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0.404 K(o=0.4,f=-2.8!) USER MOD Single : A 24 ASN : amide:sc= 0.493 X(o=0.49,f=-0.0028) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 0.521 K(o=0.52,f=0) USER MOD Single : A 61 TYR OH : rot 148:sc= 0.741 USER MOD Single : A 64 LYS NZ :NH3+ -112:sc= 1.17 (180deg=-0.624) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0813 USER MOD Single : A 71 LYS NZ :NH3+ 164:sc= 0.988 (180deg=0.611) USER MOD Single : A 72 THR OG1 : rot 10:sc= -0.0168 USER MOD Single : A 73 LYS NZ :NH3+ 148:sc= 0.833 (180deg=-0.102!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= -1.11 K(o=-1.1,f=-2.4!) USER MOD Single : A 78 ASN : amide:sc= -2.84 X(o=-2.8,f=-3.2) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -170:sc= 0.795 (180deg=0.572) USER MOD Single : A 101 THR OG1 : rot 173:sc= 1.49 USER MOD Single : A 106 GLN : amide:sc= -0.329 K(o=-0.33,f=-0.95) USER MOD Single : A 107 SER OG : rot 120:sc= 0 USER MOD Single : A 116 GLN : amide:sc= -0.487 K(o=-0.49,f=-1.2) USER MOD Single : A 119 HIS : no HE2:sc= 0.257 K(o=0.26,f=-1.7) USER MOD Single : A 129 TYR OH : rot 180:sc= 0.0386 USER MOD Single : A 130 SER OG : rot -23:sc= 0.0301 USER MOD Single : A 131 LYS NZ :NH3+ 144:sc= 1.12 (180deg=-1.54) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 LYS NZ :NH3+ -141:sc= 1.19 (180deg=-0.916) USER MOD Single : A 137 CYS SG : rot 180:sc= 0 USER MOD Single : A 138 LYS NZ :NH3+ -126:sc= 1.07 (180deg=-1.02!) USER MOD Single : A 139 ASN : amide:sc= -0.321 K(o=-0.32,f=-1.9!) USER MOD Single : A 144 THR OG1 : rot 87:sc= 0.473 USER MOD Single : A 145 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0645) USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 1.08 (180deg=1.08) USER MOD Single : A 147 TYR OH : rot 180:sc= 0 USER MOD Single : A 150 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.158) USER MOD ----------------------------------------------------------------- ATOM 30 N ALA A 3 -19.206 -0.670 7.894 1.00 0.49 N ATOM 31 CA ALA A 3 -18.171 -0.430 6.902 1.00 0.42 C ATOM 32 C ALA A 3 -18.227 -1.494 5.813 1.00 0.30 C ATOM 33 O ALA A 3 -18.185 -1.156 4.642 1.00 0.31 O ATOM 34 CB ALA A 3 -16.788 -0.423 7.548 1.00 0.60 C ATOM 0 HA ALA A 3 -18.350 0.549 6.457 1.00 0.42 H new ATOM 0 HB1 ALA A 3 -16.031 -0.242 6.785 1.00 0.60 H new ATOM 0 HB2 ALA A 3 -16.742 0.365 8.300 1.00 0.60 H new ATOM 0 HB3 ALA A 3 -16.602 -1.387 8.021 1.00 0.60 H new ATOM 40 N SER A 4 -18.349 -2.770 6.183 1.00 0.30 N ATOM 41 CA SER A 4 -18.348 -3.913 5.277 1.00 0.28 C ATOM 42 C SER A 4 -19.288 -3.710 4.099 1.00 0.28 C ATOM 43 O SER A 4 -19.011 -4.143 2.989 1.00 0.42 O ATOM 44 CB SER A 4 -18.822 -5.155 6.029 1.00 0.34 C ATOM 45 OG SER A 4 -18.126 -5.364 7.232 1.00 1.94 O ATOM 0 H SER A 4 -18.455 -3.043 7.160 1.00 0.30 H new ATOM 0 HA SER A 4 -17.330 -4.027 4.906 1.00 0.28 H new ATOM 0 HB2 SER A 4 -19.887 -5.060 6.243 1.00 0.34 H new ATOM 0 HB3 SER A 4 -18.702 -6.029 5.389 1.00 0.34 H new ATOM 0 HG SER A 4 -18.469 -6.169 7.673 1.00 1.94 H new ATOM 51 N ARG A 5 -20.439 -3.095 4.348 1.00 0.29 N ATOM 52 CA ARG A 5 -21.464 -2.887 3.337 1.00 0.39 C ATOM 53 C ARG A 5 -20.945 -1.966 2.251 1.00 0.41 C ATOM 54 O ARG A 5 -21.181 -2.191 1.067 1.00 0.63 O ATOM 55 CB ARG A 5 -22.693 -2.294 4.038 1.00 0.53 C ATOM 56 CG ARG A 5 -23.194 -3.233 5.150 1.00 0.87 C ATOM 57 CD ARG A 5 -24.354 -4.093 4.646 1.00 1.73 C ATOM 58 NE ARG A 5 -24.582 -5.258 5.516 1.00 2.27 N ATOM 59 CZ ARG A 5 -23.859 -6.389 5.507 1.00 3.60 C ATOM 60 NH1 ARG A 5 -24.167 -7.388 6.335 1.00 4.08 N ATOM 61 NH2 ARG A 5 -22.826 -6.522 4.673 1.00 5.00 N ATOM 0 H ARG A 5 -20.687 -2.725 5.265 1.00 0.29 H new ATOM 0 HA ARG A 5 -21.736 -3.827 2.856 1.00 0.39 H new ATOM 0 HB2 ARG A 5 -22.441 -1.322 4.462 1.00 0.53 H new ATOM 0 HB3 ARG A 5 -23.488 -2.128 3.310 1.00 0.53 H new ATOM 0 HG2 ARG A 5 -22.379 -3.873 5.487 1.00 0.87 H new ATOM 0 HG3 ARG A 5 -23.516 -2.647 6.011 1.00 0.87 H new ATOM 0 HD2 ARG A 5 -25.261 -3.490 4.599 1.00 1.73 H new ATOM 0 HD3 ARG A 5 -24.143 -4.431 3.632 1.00 1.73 H new ATOM 0 HE ARG A 5 -25.353 -5.201 6.181 1.00 2.27 H new ATOM 0 HH11 ARG A 5 -24.954 -7.294 6.977 1.00 4.08 H new ATOM 0 HH12 ARG A 5 -23.616 -8.246 6.326 1.00 4.08 H new ATOM 0 HH21 ARG A 5 -22.582 -5.762 4.038 1.00 5.00 H new ATOM 0 HH22 ARG A 5 -22.280 -7.384 4.671 1.00 5.00 H new ATOM 75 N ARG A 6 -20.235 -0.924 2.669 1.00 0.29 N ATOM 76 CA ARG A 6 -19.616 0.015 1.756 1.00 0.35 C ATOM 77 C ARG A 6 -18.479 -0.708 1.042 1.00 0.46 C ATOM 78 O ARG A 6 -18.464 -0.792 -0.177 1.00 0.77 O ATOM 79 CB ARG A 6 -19.153 1.252 2.540 1.00 0.37 C ATOM 80 CG ARG A 6 -20.313 1.885 3.326 1.00 0.40 C ATOM 81 CD ARG A 6 -21.287 2.649 2.425 1.00 1.91 C ATOM 82 NE ARG A 6 -20.714 3.935 1.996 1.00 2.07 N ATOM 83 CZ ARG A 6 -21.374 4.893 1.335 1.00 2.55 C ATOM 84 NH1 ARG A 6 -20.808 6.087 1.149 1.00 2.92 N ATOM 85 NH2 ARG A 6 -22.601 4.660 0.868 1.00 3.25 N ATOM 0 H ARG A 6 -20.075 -0.711 3.654 1.00 0.29 H new ATOM 0 HA ARG A 6 -20.314 0.372 0.999 1.00 0.35 H new ATOM 0 HB2 ARG A 6 -18.356 0.971 3.228 1.00 0.37 H new ATOM 0 HB3 ARG A 6 -18.735 1.986 1.851 1.00 0.37 H new ATOM 0 HG2 ARG A 6 -20.854 1.104 3.860 1.00 0.40 H new ATOM 0 HG3 ARG A 6 -19.910 2.564 4.077 1.00 0.40 H new ATOM 0 HD2 ARG A 6 -21.528 2.045 1.550 1.00 1.91 H new ATOM 0 HD3 ARG A 6 -22.221 2.824 2.959 1.00 1.91 H new ATOM 0 HE ARG A 6 -19.735 4.110 2.221 1.00 2.07 H new ATOM 0 HH11 ARG A 6 -19.872 6.270 1.511 1.00 2.92 H new ATOM 0 HH12 ARG A 6 -21.311 6.817 0.645 1.00 2.92 H new ATOM 0 HH21 ARG A 6 -23.038 3.750 1.014 1.00 3.25 H new ATOM 0 HH22 ARG A 6 -23.102 5.392 0.364 1.00 3.25 H new ATOM 99 N LEU A 7 -17.580 -1.309 1.814 1.00 0.33 N ATOM 100 CA LEU A 7 -16.319 -1.904 1.400 1.00 0.32 C ATOM 101 C LEU A 7 -16.527 -3.002 0.371 1.00 0.30 C ATOM 102 O LEU A 7 -15.715 -3.135 -0.529 1.00 0.34 O ATOM 103 CB LEU A 7 -15.589 -2.479 2.623 1.00 0.29 C ATOM 104 CG LEU A 7 -15.113 -1.398 3.603 1.00 0.32 C ATOM 105 CD1 LEU A 7 -14.738 -2.050 4.933 1.00 0.35 C ATOM 106 CD2 LEU A 7 -13.893 -0.651 3.077 1.00 0.42 C ATOM 0 H LEU A 7 -17.727 -1.398 2.819 1.00 0.33 H new ATOM 0 HA LEU A 7 -15.717 -1.120 0.940 1.00 0.32 H new ATOM 0 HB2 LEU A 7 -16.254 -3.167 3.145 1.00 0.29 H new ATOM 0 HB3 LEU A 7 -14.730 -3.059 2.286 1.00 0.29 H new ATOM 0 HG LEU A 7 -15.929 -0.687 3.729 1.00 0.32 H new ATOM 0 HD11 LEU A 7 -14.399 -1.284 5.631 1.00 0.35 H new ATOM 0 HD12 LEU A 7 -15.608 -2.559 5.347 1.00 0.35 H new ATOM 0 HD13 LEU A 7 -13.938 -2.773 4.771 1.00 0.35 H new ATOM 0 HD21 LEU A 7 -13.589 0.105 3.801 1.00 0.42 H new ATOM 0 HD22 LEU A 7 -13.075 -1.354 2.921 1.00 0.42 H new ATOM 0 HD23 LEU A 7 -14.141 -0.169 2.132 1.00 0.42 H new ATOM 118 N MET A 8 -17.583 -3.799 0.500 1.00 0.32 N ATOM 119 CA MET A 8 -17.930 -4.839 -0.457 1.00 0.39 C ATOM 120 C MET A 8 -18.218 -4.199 -1.806 1.00 0.44 C ATOM 121 O MET A 8 -17.632 -4.586 -2.815 1.00 0.47 O ATOM 122 CB MET A 8 -19.153 -5.601 0.074 1.00 0.41 C ATOM 123 CG MET A 8 -19.615 -6.737 -0.843 1.00 0.60 C ATOM 124 SD MET A 8 -18.781 -8.316 -0.553 1.00 2.35 S ATOM 125 CE MET A 8 -19.742 -9.351 -1.689 1.00 2.15 C ATOM 0 H MET A 8 -18.231 -3.738 1.286 1.00 0.32 H new ATOM 0 HA MET A 8 -17.107 -5.543 -0.585 1.00 0.39 H new ATOM 0 HB2 MET A 8 -18.916 -6.011 1.056 1.00 0.41 H new ATOM 0 HB3 MET A 8 -19.976 -4.899 0.212 1.00 0.41 H new ATOM 0 HG2 MET A 8 -20.688 -6.878 -0.715 1.00 0.60 H new ATOM 0 HG3 MET A 8 -19.454 -6.440 -1.879 1.00 0.60 H new ATOM 0 HE1 MET A 8 -19.371 -10.375 -1.650 1.00 2.15 H new ATOM 0 HE2 MET A 8 -20.792 -9.334 -1.397 1.00 2.15 H new ATOM 0 HE3 MET A 8 -19.642 -8.967 -2.704 1.00 2.15 H new ATOM 135 N LYS A 9 -19.129 -3.219 -1.827 1.00 0.47 N ATOM 136 CA LYS A 9 -19.480 -2.554 -3.080 1.00 0.52 C ATOM 137 C LYS A 9 -18.231 -1.937 -3.697 1.00 0.57 C ATOM 138 O LYS A 9 -17.952 -2.122 -4.874 1.00 0.66 O ATOM 139 CB LYS A 9 -20.545 -1.471 -2.855 1.00 0.47 C ATOM 140 CG LYS A 9 -21.955 -1.933 -3.232 1.00 1.97 C ATOM 141 CD LYS A 9 -22.485 -3.074 -2.356 1.00 2.56 C ATOM 142 CE LYS A 9 -23.983 -2.881 -2.089 1.00 3.07 C ATOM 143 NZ LYS A 9 -24.778 -2.803 -3.335 1.00 4.10 N ATOM 0 H LYS A 9 -19.627 -2.876 -1.005 1.00 0.47 H new ATOM 0 HA LYS A 9 -19.896 -3.298 -3.760 1.00 0.52 H new ATOM 0 HB2 LYS A 9 -20.535 -1.171 -1.807 1.00 0.47 H new ATOM 0 HB3 LYS A 9 -20.288 -0.589 -3.442 1.00 0.47 H new ATOM 0 HG2 LYS A 9 -22.637 -1.085 -3.161 1.00 1.97 H new ATOM 0 HG3 LYS A 9 -21.956 -2.256 -4.273 1.00 1.97 H new ATOM 0 HD2 LYS A 9 -22.316 -4.031 -2.850 1.00 2.56 H new ATOM 0 HD3 LYS A 9 -21.940 -3.102 -1.412 1.00 2.56 H new ATOM 0 HE2 LYS A 9 -24.349 -3.708 -1.480 1.00 3.07 H new ATOM 0 HE3 LYS A 9 -24.131 -1.969 -1.511 1.00 3.07 H new ATOM 0 HZ1 LYS A 9 -25.791 -2.809 -3.101 1.00 4.10 H new ATOM 0 HZ2 LYS A 9 -24.545 -1.925 -3.841 1.00 4.10 H new ATOM 0 HZ3 LYS A 9 -24.557 -3.620 -3.939 1.00 4.10 H new ATOM 157 N GLU A 10 -17.490 -1.187 -2.893 1.00 0.52 N ATOM 158 CA GLU A 10 -16.345 -0.423 -3.335 1.00 0.56 C ATOM 159 C GLU A 10 -15.238 -1.345 -3.819 1.00 0.42 C ATOM 160 O GLU A 10 -14.574 -1.021 -4.787 1.00 0.44 O ATOM 161 CB GLU A 10 -15.880 0.499 -2.208 1.00 0.62 C ATOM 162 CG GLU A 10 -16.957 1.571 -2.017 1.00 1.02 C ATOM 163 CD GLU A 10 -16.560 2.623 -0.993 1.00 1.31 C ATOM 164 OE1 GLU A 10 -15.900 3.594 -1.418 1.00 1.81 O ATOM 165 OE2 GLU A 10 -17.017 2.541 0.169 1.00 2.51 O ATOM 0 H GLU A 10 -17.677 -1.095 -1.895 1.00 0.52 H new ATOM 0 HA GLU A 10 -16.627 0.200 -4.184 1.00 0.56 H new ATOM 0 HB2 GLU A 10 -15.733 -0.065 -1.287 1.00 0.62 H new ATOM 0 HB3 GLU A 10 -14.923 0.957 -2.458 1.00 0.62 H new ATOM 0 HG2 GLU A 10 -17.155 2.056 -2.973 1.00 1.02 H new ATOM 0 HG3 GLU A 10 -17.886 1.095 -1.702 1.00 1.02 H new ATOM 172 N LEU A 11 -15.028 -2.496 -3.189 1.00 0.35 N ATOM 173 CA LEU A 11 -14.009 -3.444 -3.610 1.00 0.29 C ATOM 174 C LEU A 11 -14.351 -3.987 -4.981 1.00 0.34 C ATOM 175 O LEU A 11 -13.488 -4.058 -5.856 1.00 0.32 O ATOM 176 CB LEU A 11 -13.902 -4.583 -2.599 1.00 0.25 C ATOM 177 CG LEU A 11 -12.701 -5.481 -2.918 1.00 0.21 C ATOM 178 CD1 LEU A 11 -12.191 -6.054 -1.605 1.00 0.29 C ATOM 179 CD2 LEU A 11 -13.051 -6.639 -3.860 1.00 0.28 C ATOM 0 H LEU A 11 -15.561 -2.796 -2.372 1.00 0.35 H new ATOM 0 HA LEU A 11 -13.046 -2.935 -3.662 1.00 0.29 H new ATOM 0 HB2 LEU A 11 -13.800 -4.175 -1.594 1.00 0.25 H new ATOM 0 HB3 LEU A 11 -14.818 -5.174 -2.612 1.00 0.25 H new ATOM 0 HG LEU A 11 -11.951 -4.875 -3.425 1.00 0.21 H new ATOM 0 HD11 LEU A 11 -11.334 -6.699 -1.798 1.00 0.29 H new ATOM 0 HD12 LEU A 11 -11.891 -5.240 -0.945 1.00 0.29 H new ATOM 0 HD13 LEU A 11 -12.982 -6.634 -1.129 1.00 0.29 H new ATOM 0 HD21 LEU A 11 -12.160 -7.238 -4.047 1.00 0.28 H new ATOM 0 HD22 LEU A 11 -13.817 -7.263 -3.400 1.00 0.28 H new ATOM 0 HD23 LEU A 11 -13.425 -6.241 -4.803 1.00 0.28 H new ATOM 191 N GLU A 12 -15.611 -4.378 -5.163 1.00 0.41 N ATOM 192 CA GLU A 12 -16.088 -4.828 -6.462 1.00 0.46 C ATOM 193 C GLU A 12 -15.806 -3.752 -7.512 1.00 0.46 C ATOM 194 O GLU A 12 -15.229 -4.045 -8.561 1.00 0.49 O ATOM 195 CB GLU A 12 -17.571 -5.204 -6.372 1.00 0.49 C ATOM 196 CG GLU A 12 -18.075 -5.761 -7.707 1.00 0.56 C ATOM 197 CD GLU A 12 -19.485 -6.336 -7.568 1.00 0.82 C ATOM 198 OE1 GLU A 12 -20.447 -5.582 -7.832 1.00 1.78 O ATOM 199 OE2 GLU A 12 -19.573 -7.533 -7.220 1.00 1.85 O ATOM 0 H GLU A 12 -16.316 -4.391 -4.426 1.00 0.41 H new ATOM 0 HA GLU A 12 -15.555 -5.727 -6.772 1.00 0.46 H new ATOM 0 HB2 GLU A 12 -17.715 -5.945 -5.586 1.00 0.49 H new ATOM 0 HB3 GLU A 12 -18.156 -4.327 -6.095 1.00 0.49 H new ATOM 0 HG2 GLU A 12 -18.074 -4.971 -8.458 1.00 0.56 H new ATOM 0 HG3 GLU A 12 -17.396 -6.537 -8.060 1.00 0.56 H new ATOM 206 N GLU A 13 -16.161 -2.502 -7.206 1.00 0.46 N ATOM 207 CA GLU A 13 -15.895 -1.340 -8.043 1.00 0.49 C ATOM 208 C GLU A 13 -14.402 -1.154 -8.296 1.00 0.42 C ATOM 209 O GLU A 13 -14.031 -0.771 -9.395 1.00 0.38 O ATOM 210 CB GLU A 13 -16.491 -0.067 -7.421 1.00 0.54 C ATOM 211 CG GLU A 13 -17.837 0.273 -8.068 1.00 0.76 C ATOM 212 CD GLU A 13 -18.479 1.507 -7.425 1.00 1.77 C ATOM 213 OE1 GLU A 13 -17.786 2.546 -7.351 1.00 2.46 O ATOM 214 OE2 GLU A 13 -19.658 1.399 -7.017 1.00 3.16 O ATOM 0 H GLU A 13 -16.655 -2.269 -6.345 1.00 0.46 H new ATOM 0 HA GLU A 13 -16.377 -1.520 -9.004 1.00 0.49 H new ATOM 0 HB2 GLU A 13 -16.623 -0.208 -6.348 1.00 0.54 H new ATOM 0 HB3 GLU A 13 -15.799 0.765 -7.551 1.00 0.54 H new ATOM 0 HG2 GLU A 13 -17.694 0.451 -9.134 1.00 0.76 H new ATOM 0 HG3 GLU A 13 -18.511 -0.578 -7.975 1.00 0.76 H new ATOM 221 N ILE A 14 -13.536 -1.402 -7.312 1.00 0.42 N ATOM 222 CA ILE A 14 -12.101 -1.200 -7.442 1.00 0.34 C ATOM 223 C ILE A 14 -11.577 -2.178 -8.487 1.00 0.32 C ATOM 224 O ILE A 14 -10.936 -1.771 -9.458 1.00 0.31 O ATOM 225 CB ILE A 14 -11.401 -1.315 -6.067 1.00 0.27 C ATOM 226 CG1 ILE A 14 -11.577 0.012 -5.301 1.00 0.31 C ATOM 227 CG2 ILE A 14 -9.889 -1.515 -6.241 1.00 0.23 C ATOM 228 CD1 ILE A 14 -10.884 -0.003 -3.934 1.00 0.24 C ATOM 0 H ILE A 14 -13.818 -1.752 -6.396 1.00 0.42 H new ATOM 0 HA ILE A 14 -11.877 -0.191 -7.787 1.00 0.34 H new ATOM 0 HB ILE A 14 -11.840 -2.160 -5.536 1.00 0.27 H new ATOM 0 HG12 ILE A 14 -11.175 0.829 -5.900 1.00 0.31 H new ATOM 0 HG13 ILE A 14 -12.640 0.210 -5.164 1.00 0.31 H new ATOM 0 HG21 ILE A 14 -9.417 -1.593 -5.262 1.00 0.23 H new ATOM 0 HG22 ILE A 14 -9.706 -2.429 -6.806 1.00 0.23 H new ATOM 0 HG23 ILE A 14 -9.469 -0.665 -6.779 1.00 0.23 H new ATOM 0 HD11 ILE A 14 -11.039 0.955 -3.437 1.00 0.24 H new ATOM 0 HD12 ILE A 14 -11.304 -0.802 -3.322 1.00 0.24 H new ATOM 0 HD13 ILE A 14 -9.816 -0.173 -4.069 1.00 0.24 H new ATOM 240 N ARG A 15 -11.858 -3.475 -8.320 1.00 0.33 N ATOM 241 CA ARG A 15 -11.450 -4.477 -9.298 1.00 0.35 C ATOM 242 C ARG A 15 -11.946 -4.072 -10.686 1.00 0.33 C ATOM 243 O ARG A 15 -11.161 -4.050 -11.634 1.00 0.34 O ATOM 244 CB ARG A 15 -11.956 -5.873 -8.895 1.00 0.41 C ATOM 245 CG ARG A 15 -10.963 -6.581 -7.955 1.00 0.87 C ATOM 246 CD ARG A 15 -10.505 -7.940 -8.506 1.00 1.28 C ATOM 247 NE ARG A 15 -11.347 -9.048 -8.028 1.00 1.30 N ATOM 248 CZ ARG A 15 -11.526 -10.223 -8.647 1.00 1.23 C ATOM 249 NH1 ARG A 15 -12.220 -11.190 -8.043 1.00 2.52 N ATOM 250 NH2 ARG A 15 -11.015 -10.438 -9.860 1.00 2.50 N ATOM 0 H ARG A 15 -12.365 -3.850 -7.518 1.00 0.33 H new ATOM 0 HA ARG A 15 -10.362 -4.529 -9.327 1.00 0.35 H new ATOM 0 HB2 ARG A 15 -12.924 -5.783 -8.402 1.00 0.41 H new ATOM 0 HB3 ARG A 15 -12.108 -6.478 -9.789 1.00 0.41 H new ATOM 0 HG2 ARG A 15 -10.093 -5.942 -7.801 1.00 0.87 H new ATOM 0 HG3 ARG A 15 -11.429 -6.725 -6.980 1.00 0.87 H new ATOM 0 HD2 ARG A 15 -10.527 -7.914 -9.595 1.00 1.28 H new ATOM 0 HD3 ARG A 15 -9.471 -8.119 -8.212 1.00 1.28 H new ATOM 0 HE ARG A 15 -11.839 -8.909 -7.145 1.00 1.30 H new ATOM 0 HH11 ARG A 15 -12.611 -11.033 -7.114 1.00 2.52 H new ATOM 0 HH12 ARG A 15 -12.359 -12.086 -8.510 1.00 2.52 H new ATOM 0 HH21 ARG A 15 -10.482 -9.704 -10.326 1.00 2.50 H new ATOM 0 HH22 ARG A 15 -11.158 -11.336 -10.322 1.00 2.50 H new ATOM 264 N LYS A 16 -13.237 -3.739 -10.793 1.00 0.34 N ATOM 265 CA LYS A 16 -13.870 -3.299 -12.037 1.00 0.34 C ATOM 266 C LYS A 16 -13.183 -2.067 -12.624 1.00 0.35 C ATOM 267 O LYS A 16 -13.101 -1.946 -13.842 1.00 0.37 O ATOM 268 CB LYS A 16 -15.363 -3.000 -11.805 1.00 0.34 C ATOM 269 CG LYS A 16 -16.295 -4.069 -12.385 1.00 0.62 C ATOM 270 CD LYS A 16 -16.098 -5.460 -11.775 1.00 0.90 C ATOM 271 CE LYS A 16 -17.219 -6.361 -12.304 1.00 1.17 C ATOM 272 NZ LYS A 16 -17.066 -7.765 -11.869 1.00 2.11 N ATOM 0 H LYS A 16 -13.881 -3.769 -10.002 1.00 0.34 H new ATOM 0 HA LYS A 16 -13.769 -4.113 -12.754 1.00 0.34 H new ATOM 0 HB2 LYS A 16 -15.546 -2.911 -10.734 1.00 0.34 H new ATOM 0 HB3 LYS A 16 -15.606 -2.036 -12.251 1.00 0.34 H new ATOM 0 HG2 LYS A 16 -17.328 -3.758 -12.231 1.00 0.62 H new ATOM 0 HG3 LYS A 16 -16.137 -4.129 -13.462 1.00 0.62 H new ATOM 0 HD2 LYS A 16 -15.122 -5.863 -12.047 1.00 0.90 H new ATOM 0 HD3 LYS A 16 -16.129 -5.409 -10.687 1.00 0.90 H new ATOM 0 HE2 LYS A 16 -18.181 -5.980 -11.960 1.00 1.17 H new ATOM 0 HE3 LYS A 16 -17.231 -6.320 -13.393 1.00 1.17 H new ATOM 0 HZ1 LYS A 16 -17.848 -8.334 -12.252 1.00 2.11 H new ATOM 0 HZ2 LYS A 16 -16.161 -8.140 -12.218 1.00 2.11 H new ATOM 0 HZ3 LYS A 16 -17.081 -7.810 -10.830 1.00 2.11 H new ATOM 286 N CYS A 17 -12.724 -1.143 -11.781 1.00 0.35 N ATOM 287 CA CYS A 17 -12.182 0.138 -12.202 1.00 0.39 C ATOM 288 C CYS A 17 -10.921 -0.096 -13.020 1.00 0.35 C ATOM 289 O CYS A 17 -10.630 0.658 -13.946 1.00 0.44 O ATOM 290 CB CYS A 17 -11.881 1.002 -10.969 1.00 0.43 C ATOM 291 SG CYS A 17 -11.401 2.679 -11.473 1.00 0.72 S ATOM 0 H CYS A 17 -12.721 -1.271 -10.769 1.00 0.35 H new ATOM 0 HA CYS A 17 -12.909 0.665 -12.821 1.00 0.39 H new ATOM 0 HB2 CYS A 17 -12.759 1.046 -10.325 1.00 0.43 H new ATOM 0 HB3 CYS A 17 -11.080 0.548 -10.385 1.00 0.43 H new ATOM 0 HG CYS A 17 -10.863 2.639 -12.656 1.00 0.72 H new ATOM 297 N GLY A 18 -10.153 -1.124 -12.661 1.00 0.27 N ATOM 298 CA GLY A 18 -8.990 -1.519 -13.422 1.00 0.30 C ATOM 299 C GLY A 18 -7.886 -1.917 -12.467 1.00 0.30 C ATOM 300 O GLY A 18 -6.982 -1.127 -12.208 1.00 0.32 O ATOM 0 H GLY A 18 -10.327 -1.698 -11.836 1.00 0.27 H new ATOM 0 HA2 GLY A 18 -9.236 -2.352 -14.080 1.00 0.30 H new ATOM 0 HA3 GLY A 18 -8.660 -0.697 -14.058 1.00 0.30 H new ATOM 304 N MET A 19 -7.962 -3.142 -11.947 1.00 0.31 N ATOM 305 CA MET A 19 -6.916 -3.717 -11.111 1.00 0.32 C ATOM 306 C MET A 19 -5.589 -3.832 -11.881 1.00 0.34 C ATOM 307 O MET A 19 -5.271 -4.871 -12.452 1.00 0.38 O ATOM 308 CB MET A 19 -7.408 -5.049 -10.517 1.00 0.37 C ATOM 309 CG MET A 19 -7.949 -6.044 -11.547 1.00 0.67 C ATOM 310 SD MET A 19 -8.037 -7.748 -10.932 1.00 1.25 S ATOM 311 CE MET A 19 -7.958 -8.611 -12.522 1.00 1.89 C ATOM 0 H MET A 19 -8.756 -3.764 -12.097 1.00 0.31 H new ATOM 0 HA MET A 19 -6.703 -3.053 -10.273 1.00 0.32 H new ATOM 0 HB2 MET A 19 -6.585 -5.517 -9.977 1.00 0.37 H new ATOM 0 HB3 MET A 19 -8.190 -4.840 -9.788 1.00 0.37 H new ATOM 0 HG2 MET A 19 -8.944 -5.727 -11.858 1.00 0.67 H new ATOM 0 HG3 MET A 19 -7.315 -6.018 -12.433 1.00 0.67 H new ATOM 0 HE1 MET A 19 -7.999 -9.687 -12.354 1.00 1.89 H new ATOM 0 HE2 MET A 19 -8.801 -8.308 -13.143 1.00 1.89 H new ATOM 0 HE3 MET A 19 -7.026 -8.358 -13.027 1.00 1.89 H new ATOM 321 N LYS A 20 -4.820 -2.741 -11.954 1.00 0.34 N ATOM 322 CA LYS A 20 -3.498 -2.699 -12.575 1.00 0.33 C ATOM 323 C LYS A 20 -2.416 -2.548 -11.524 1.00 0.35 C ATOM 324 O LYS A 20 -1.792 -3.532 -11.146 1.00 0.42 O ATOM 325 CB LYS A 20 -3.463 -1.657 -13.703 1.00 0.33 C ATOM 326 CG LYS A 20 -3.758 -2.403 -15.009 1.00 1.30 C ATOM 327 CD LYS A 20 -4.262 -1.494 -16.138 1.00 1.78 C ATOM 328 CE LYS A 20 -3.148 -0.629 -16.736 1.00 1.66 C ATOM 329 NZ LYS A 20 -3.647 0.186 -17.866 1.00 2.51 N ATOM 0 H LYS A 20 -5.110 -1.841 -11.572 1.00 0.34 H new ATOM 0 HA LYS A 20 -3.284 -3.650 -13.062 1.00 0.33 H new ATOM 0 HB2 LYS A 20 -4.203 -0.875 -13.529 1.00 0.33 H new ATOM 0 HB3 LYS A 20 -2.489 -1.170 -13.748 1.00 0.33 H new ATOM 0 HG2 LYS A 20 -2.852 -2.910 -15.340 1.00 1.30 H new ATOM 0 HG3 LYS A 20 -4.503 -3.175 -14.816 1.00 1.30 H new ATOM 0 HD2 LYS A 20 -4.703 -2.107 -16.924 1.00 1.78 H new ATOM 0 HD3 LYS A 20 -5.053 -0.849 -15.755 1.00 1.78 H new ATOM 0 HE2 LYS A 20 -2.740 0.025 -15.966 1.00 1.66 H new ATOM 0 HE3 LYS A 20 -2.333 -1.267 -17.077 1.00 1.66 H new ATOM 0 HZ1 LYS A 20 -2.870 0.761 -18.250 1.00 2.51 H new ATOM 0 HZ2 LYS A 20 -4.014 -0.441 -18.610 1.00 2.51 H new ATOM 0 HZ3 LYS A 20 -4.408 0.812 -17.533 1.00 2.51 H new ATOM 343 N ASN A 21 -2.224 -1.331 -11.007 1.00 0.39 N ATOM 344 CA ASN A 21 -1.247 -1.119 -9.941 1.00 0.33 C ATOM 345 C ASN A 21 -1.671 -1.813 -8.645 1.00 0.27 C ATOM 346 O ASN A 21 -0.908 -1.865 -7.688 1.00 0.23 O ATOM 347 CB ASN A 21 -1.035 0.368 -9.648 1.00 0.39 C ATOM 348 CG ASN A 21 0.066 1.007 -10.494 1.00 0.74 C ATOM 349 OD1 ASN A 21 1.094 1.418 -9.968 1.00 2.42 O ATOM 350 ND2 ASN A 21 -0.123 1.131 -11.799 1.00 1.12 N ATOM 0 H ASN A 21 -2.723 -0.493 -11.304 1.00 0.39 H new ATOM 0 HA ASN A 21 -0.312 -1.551 -10.299 1.00 0.33 H new ATOM 0 HB2 ASN A 21 -1.970 0.901 -9.821 1.00 0.39 H new ATOM 0 HB3 ASN A 21 -0.789 0.491 -8.593 1.00 0.39 H new ATOM 0 HD21 ASN A 21 0.591 1.573 -12.378 1.00 1.12 H new ATOM 0 HD22 ASN A 21 -0.983 0.785 -12.225 1.00 1.12 H new ATOM 357 N PHE A 22 -2.890 -2.335 -8.584 1.00 0.33 N ATOM 358 CA PHE A 22 -3.406 -3.079 -7.461 1.00 0.26 C ATOM 359 C PHE A 22 -4.015 -4.334 -8.063 1.00 0.36 C ATOM 360 O PHE A 22 -4.846 -4.232 -8.960 1.00 0.62 O ATOM 361 CB PHE A 22 -4.417 -2.211 -6.703 1.00 0.18 C ATOM 362 CG PHE A 22 -5.431 -1.477 -7.562 1.00 0.19 C ATOM 363 CD1 PHE A 22 -6.696 -2.038 -7.814 1.00 0.17 C ATOM 364 CD2 PHE A 22 -5.098 -0.228 -8.119 1.00 0.30 C ATOM 365 CE1 PHE A 22 -7.609 -1.357 -8.639 1.00 0.24 C ATOM 366 CE2 PHE A 22 -6.012 0.452 -8.938 1.00 0.38 C ATOM 367 CZ PHE A 22 -7.270 -0.115 -9.201 1.00 0.34 C ATOM 0 H PHE A 22 -3.563 -2.244 -9.345 1.00 0.33 H new ATOM 0 HA PHE A 22 -2.648 -3.355 -6.728 1.00 0.26 H new ATOM 0 HB2 PHE A 22 -4.956 -2.845 -5.999 1.00 0.18 H new ATOM 0 HB3 PHE A 22 -3.868 -1.476 -6.114 1.00 0.18 H new ATOM 0 HD1 PHE A 22 -6.965 -2.988 -7.376 1.00 0.17 H new ATOM 0 HD2 PHE A 22 -4.132 0.210 -7.915 1.00 0.30 H new ATOM 0 HE1 PHE A 22 -8.577 -1.792 -8.842 1.00 0.24 H new ATOM 0 HE2 PHE A 22 -5.749 1.409 -9.365 1.00 0.38 H new ATOM 0 HZ PHE A 22 -7.975 0.403 -9.834 1.00 0.34 H new ATOM 377 N ARG A 23 -3.572 -5.512 -7.622 1.00 0.23 N ATOM 378 CA ARG A 23 -4.107 -6.791 -8.070 1.00 0.26 C ATOM 379 C ARG A 23 -4.080 -7.746 -6.888 1.00 0.25 C ATOM 380 O ARG A 23 -3.694 -7.367 -5.785 1.00 0.25 O ATOM 381 CB ARG A 23 -3.297 -7.360 -9.253 1.00 0.36 C ATOM 382 CG ARG A 23 -3.666 -6.712 -10.591 1.00 0.91 C ATOM 383 CD ARG A 23 -3.253 -7.623 -11.753 1.00 1.38 C ATOM 384 NE ARG A 23 -3.556 -7.018 -13.055 1.00 2.54 N ATOM 385 CZ ARG A 23 -3.638 -7.683 -14.215 1.00 3.09 C ATOM 386 NH1 ARG A 23 -3.745 -7.035 -15.370 1.00 4.44 N ATOM 387 NH2 ARG A 23 -3.605 -9.007 -14.232 1.00 2.65 N ATOM 0 H ARG A 23 -2.823 -5.602 -6.936 1.00 0.23 H new ATOM 0 HA ARG A 23 -5.128 -6.657 -8.427 1.00 0.26 H new ATOM 0 HB2 ARG A 23 -2.234 -7.212 -9.064 1.00 0.36 H new ATOM 0 HB3 ARG A 23 -3.463 -8.435 -9.317 1.00 0.36 H new ATOM 0 HG2 ARG A 23 -4.739 -6.526 -10.629 1.00 0.91 H new ATOM 0 HG3 ARG A 23 -3.171 -5.745 -10.684 1.00 0.91 H new ATOM 0 HD2 ARG A 23 -2.185 -7.832 -11.689 1.00 1.38 H new ATOM 0 HD3 ARG A 23 -3.770 -8.579 -11.667 1.00 1.38 H new ATOM 0 HE ARG A 23 -3.717 -6.011 -13.079 1.00 2.54 H new ATOM 0 HH11 ARG A 23 -3.766 -6.015 -15.383 1.00 4.44 H new ATOM 0 HH12 ARG A 23 -3.806 -7.557 -16.244 1.00 4.44 H new ATOM 0 HH21 ARG A 23 -3.517 -9.526 -13.358 1.00 2.65 H new ATOM 0 HH22 ARG A 23 -3.668 -9.507 -15.119 1.00 2.65 H new ATOM 401 N ASN A 24 -4.522 -8.988 -7.100 1.00 0.27 N ATOM 402 CA ASN A 24 -4.711 -9.943 -6.020 1.00 0.25 C ATOM 403 C ASN A 24 -5.565 -9.301 -4.923 1.00 0.26 C ATOM 404 O ASN A 24 -5.328 -9.532 -3.747 1.00 0.34 O ATOM 405 CB ASN A 24 -3.337 -10.418 -5.511 1.00 0.29 C ATOM 406 CG ASN A 24 -3.373 -11.790 -4.853 1.00 0.40 C ATOM 407 OD1 ASN A 24 -2.934 -12.768 -5.439 1.00 1.39 O ATOM 408 ND2 ASN A 24 -3.862 -11.895 -3.628 1.00 1.29 N ATOM 0 H ASN A 24 -4.756 -9.353 -8.023 1.00 0.27 H new ATOM 0 HA ASN A 24 -5.245 -10.826 -6.370 1.00 0.25 H new ATOM 0 HB2 ASN A 24 -2.638 -10.443 -6.347 1.00 0.29 H new ATOM 0 HB3 ASN A 24 -2.952 -9.691 -4.796 1.00 0.29 H new ATOM 0 HD21 ASN A 24 -3.876 -12.801 -3.160 1.00 1.29 H new ATOM 0 HD22 ASN A 24 -4.225 -11.070 -3.151 1.00 1.29 H new ATOM 415 N ILE A 25 -6.546 -8.471 -5.289 1.00 0.22 N ATOM 416 CA ILE A 25 -7.502 -7.966 -4.317 1.00 0.20 C ATOM 417 C ILE A 25 -8.271 -9.191 -3.829 1.00 0.22 C ATOM 418 O ILE A 25 -8.900 -9.878 -4.634 1.00 0.22 O ATOM 419 CB ILE A 25 -8.402 -6.880 -4.959 1.00 0.18 C ATOM 420 CG1 ILE A 25 -7.883 -5.476 -4.597 1.00 0.21 C ATOM 421 CG2 ILE A 25 -9.867 -6.988 -4.520 1.00 0.24 C ATOM 422 CD1 ILE A 25 -8.699 -4.354 -5.225 1.00 0.21 C ATOM 0 H ILE A 25 -6.693 -8.141 -6.243 1.00 0.22 H new ATOM 0 HA ILE A 25 -7.029 -7.468 -3.471 1.00 0.20 H new ATOM 0 HB ILE A 25 -8.359 -7.042 -6.036 1.00 0.18 H new ATOM 0 HG12 ILE A 25 -7.893 -5.361 -3.513 1.00 0.21 H new ATOM 0 HG13 ILE A 25 -6.845 -5.385 -4.918 1.00 0.21 H new ATOM 0 HG21 ILE A 25 -10.450 -6.202 -5.001 1.00 0.24 H new ATOM 0 HG22 ILE A 25 -10.263 -7.962 -4.809 1.00 0.24 H new ATOM 0 HG23 ILE A 25 -9.932 -6.877 -3.438 1.00 0.24 H new ATOM 0 HD11 ILE A 25 -8.281 -3.391 -4.930 1.00 0.21 H new ATOM 0 HD12 ILE A 25 -8.669 -4.446 -6.311 1.00 0.21 H new ATOM 0 HD13 ILE A 25 -9.732 -4.421 -4.884 1.00 0.21 H new ATOM 434 N GLN A 26 -8.216 -9.472 -2.528 1.00 0.25 N ATOM 435 CA GLN A 26 -9.016 -10.512 -1.910 1.00 0.28 C ATOM 436 C GLN A 26 -9.574 -9.952 -0.611 1.00 0.30 C ATOM 437 O GLN A 26 -9.045 -8.987 -0.053 1.00 0.30 O ATOM 438 CB GLN A 26 -8.215 -11.797 -1.655 1.00 0.35 C ATOM 439 CG GLN A 26 -7.148 -12.046 -2.720 1.00 0.35 C ATOM 440 CD GLN A 26 -6.585 -13.459 -2.659 1.00 0.47 C ATOM 441 OE1 GLN A 26 -6.671 -14.210 -3.620 1.00 1.77 O ATOM 442 NE2 GLN A 26 -5.970 -13.851 -1.548 1.00 1.53 N ATOM 0 H GLN A 26 -7.609 -8.977 -1.874 1.00 0.25 H new ATOM 0 HA GLN A 26 -9.821 -10.795 -2.588 1.00 0.28 H new ATOM 0 HB2 GLN A 26 -7.739 -11.736 -0.676 1.00 0.35 H new ATOM 0 HB3 GLN A 26 -8.898 -12.646 -1.625 1.00 0.35 H new ATOM 0 HG2 GLN A 26 -7.576 -11.871 -3.707 1.00 0.35 H new ATOM 0 HG3 GLN A 26 -6.337 -11.329 -2.592 1.00 0.35 H new ATOM 0 HE21 GLN A 26 -5.903 -13.217 -0.751 1.00 1.53 H new ATOM 0 HE22 GLN A 26 -5.565 -14.785 -1.492 1.00 1.53 H new ATOM 451 N VAL A 27 -10.649 -10.567 -0.139 1.00 0.35 N ATOM 452 CA VAL A 27 -11.368 -10.142 1.039 1.00 0.36 C ATOM 453 C VAL A 27 -11.786 -11.436 1.733 1.00 0.48 C ATOM 454 O VAL A 27 -12.079 -12.417 1.048 1.00 0.66 O ATOM 455 CB VAL A 27 -12.518 -9.230 0.572 1.00 0.37 C ATOM 456 CG1 VAL A 27 -13.719 -9.992 -0.002 1.00 0.57 C ATOM 457 CG2 VAL A 27 -12.982 -8.305 1.690 1.00 0.40 C ATOM 0 H VAL A 27 -11.050 -11.395 -0.580 1.00 0.35 H new ATOM 0 HA VAL A 27 -10.803 -9.548 1.757 1.00 0.36 H new ATOM 0 HB VAL A 27 -12.099 -8.638 -0.242 1.00 0.37 H new ATOM 0 HG11 VAL A 27 -14.487 -9.282 -0.309 1.00 0.57 H new ATOM 0 HG12 VAL A 27 -13.400 -10.577 -0.865 1.00 0.57 H new ATOM 0 HG13 VAL A 27 -14.124 -10.659 0.759 1.00 0.57 H new ATOM 0 HG21 VAL A 27 -13.794 -7.675 1.327 1.00 0.40 H new ATOM 0 HG22 VAL A 27 -13.333 -8.900 2.533 1.00 0.40 H new ATOM 0 HG23 VAL A 27 -12.151 -7.677 2.011 1.00 0.40 H new ATOM 467 N ASP A 28 -11.725 -11.494 3.062 1.00 0.42 N ATOM 468 CA ASP A 28 -12.163 -12.693 3.769 1.00 0.50 C ATOM 469 C ASP A 28 -13.691 -12.699 3.842 1.00 0.49 C ATOM 470 O ASP A 28 -14.318 -11.673 3.596 1.00 0.45 O ATOM 471 CB ASP A 28 -11.521 -12.724 5.153 1.00 0.54 C ATOM 472 CG ASP A 28 -11.683 -14.096 5.791 1.00 0.70 C ATOM 473 OD1 ASP A 28 -12.669 -14.266 6.542 1.00 1.06 O ATOM 474 OD2 ASP A 28 -10.844 -14.966 5.485 1.00 1.49 O ATOM 0 H ASP A 28 -11.384 -10.741 3.660 1.00 0.42 H new ATOM 0 HA ASP A 28 -11.850 -13.592 3.239 1.00 0.50 H new ATOM 0 HB2 ASP A 28 -10.462 -12.477 5.074 1.00 0.54 H new ATOM 0 HB3 ASP A 28 -11.978 -11.966 5.789 1.00 0.54 H new ATOM 479 N GLU A 29 -14.306 -13.834 4.169 1.00 0.60 N ATOM 480 CA GLU A 29 -15.752 -13.907 4.359 1.00 0.65 C ATOM 481 C GLU A 29 -16.105 -13.317 5.721 1.00 0.61 C ATOM 482 O GLU A 29 -16.954 -12.435 5.843 1.00 0.63 O ATOM 483 CB GLU A 29 -16.202 -15.375 4.294 1.00 0.88 C ATOM 484 CG GLU A 29 -16.336 -15.887 2.855 1.00 1.71 C ATOM 485 CD GLU A 29 -17.666 -15.471 2.221 1.00 2.50 C ATOM 486 OE1 GLU A 29 -18.340 -16.365 1.662 1.00 2.87 O ATOM 487 OE2 GLU A 29 -18.001 -14.269 2.312 1.00 4.02 O ATOM 0 H GLU A 29 -13.821 -14.720 4.308 1.00 0.60 H new ATOM 0 HA GLU A 29 -16.259 -13.343 3.576 1.00 0.65 H new ATOM 0 HB2 GLU A 29 -15.485 -15.995 4.831 1.00 0.88 H new ATOM 0 HB3 GLU A 29 -17.159 -15.481 4.804 1.00 0.88 H new ATOM 0 HG2 GLU A 29 -15.512 -15.502 2.255 1.00 1.71 H new ATOM 0 HG3 GLU A 29 -16.255 -16.974 2.848 1.00 1.71 H new ATOM 494 N ALA A 30 -15.463 -13.830 6.769 1.00 0.60 N ATOM 495 CA ALA A 30 -15.721 -13.386 8.126 1.00 0.61 C ATOM 496 C ALA A 30 -15.040 -12.039 8.332 1.00 0.49 C ATOM 497 O ALA A 30 -15.666 -11.048 8.703 1.00 0.51 O ATOM 498 CB ALA A 30 -15.194 -14.427 9.121 1.00 0.70 C ATOM 0 H ALA A 30 -14.755 -14.560 6.696 1.00 0.60 H new ATOM 0 HA ALA A 30 -16.792 -13.275 8.293 1.00 0.61 H new ATOM 0 HB1 ALA A 30 -15.390 -14.089 10.139 1.00 0.70 H new ATOM 0 HB2 ALA A 30 -15.696 -15.379 8.952 1.00 0.70 H new ATOM 0 HB3 ALA A 30 -14.120 -14.553 8.981 1.00 0.70 H new ATOM 504 N ASN A 31 -13.735 -11.997 8.084 1.00 0.45 N ATOM 505 CA ASN A 31 -12.929 -10.808 8.292 1.00 0.41 C ATOM 506 C ASN A 31 -12.963 -9.929 7.039 1.00 0.33 C ATOM 507 O ASN A 31 -11.925 -9.440 6.607 1.00 0.34 O ATOM 508 CB ASN A 31 -11.501 -11.247 8.649 1.00 0.48 C ATOM 509 CG ASN A 31 -10.721 -10.150 9.363 1.00 1.36 C ATOM 510 OD1 ASN A 31 -11.106 -8.983 9.375 1.00 2.29 O ATOM 511 ND2 ASN A 31 -9.621 -10.523 10.004 1.00 1.94 N ATOM 0 H ASN A 31 -13.207 -12.795 7.731 1.00 0.45 H new ATOM 0 HA ASN A 31 -13.325 -10.210 9.113 1.00 0.41 H new ATOM 0 HB2 ASN A 31 -11.543 -12.132 9.284 1.00 0.48 H new ATOM 0 HB3 ASN A 31 -10.973 -11.532 7.739 1.00 0.48 H new ATOM 0 HD21 ASN A 31 -9.074 -9.835 10.522 1.00 1.94 H new ATOM 0 HD22 ASN A 31 -9.322 -11.498 9.979 1.00 1.94 H new ATOM 518 N LEU A 32 -14.137 -9.732 6.423 1.00 0.31 N ATOM 519 CA LEU A 32 -14.229 -9.029 5.140 1.00 0.31 C ATOM 520 C LEU A 32 -13.836 -7.557 5.268 1.00 0.30 C ATOM 521 O LEU A 32 -13.489 -6.892 4.298 1.00 0.31 O ATOM 522 CB LEU A 32 -15.612 -9.242 4.485 1.00 0.39 C ATOM 523 CG LEU A 32 -16.708 -8.183 4.705 1.00 0.42 C ATOM 524 CD1 LEU A 32 -16.523 -6.930 3.833 1.00 0.56 C ATOM 525 CD2 LEU A 32 -18.053 -8.809 4.320 1.00 0.49 C ATOM 0 H LEU A 32 -15.033 -10.049 6.793 1.00 0.31 H new ATOM 0 HA LEU A 32 -13.498 -9.468 4.460 1.00 0.31 H new ATOM 0 HB2 LEU A 32 -15.457 -9.338 3.410 1.00 0.39 H new ATOM 0 HB3 LEU A 32 -16.001 -10.197 4.838 1.00 0.39 H new ATOM 0 HG LEU A 32 -16.659 -7.877 5.750 1.00 0.42 H new ATOM 0 HD11 LEU A 32 -17.328 -6.223 4.036 1.00 0.56 H new ATOM 0 HD12 LEU A 32 -15.565 -6.465 4.064 1.00 0.56 H new ATOM 0 HD13 LEU A 32 -16.545 -7.213 2.781 1.00 0.56 H new ATOM 0 HD21 LEU A 32 -18.849 -8.079 4.466 1.00 0.49 H new ATOM 0 HD22 LEU A 32 -18.027 -9.112 3.273 1.00 0.49 H new ATOM 0 HD23 LEU A 32 -18.241 -9.681 4.946 1.00 0.49 H new ATOM 537 N LEU A 33 -13.897 -7.038 6.491 1.00 0.31 N ATOM 538 CA LEU A 33 -13.418 -5.712 6.837 1.00 0.33 C ATOM 539 C LEU A 33 -11.934 -5.556 6.517 1.00 0.37 C ATOM 540 O LEU A 33 -11.489 -4.472 6.149 1.00 0.68 O ATOM 541 CB LEU A 33 -13.675 -5.496 8.329 1.00 0.38 C ATOM 542 CG LEU A 33 -15.172 -5.331 8.615 1.00 0.39 C ATOM 543 CD1 LEU A 33 -15.395 -5.302 10.119 1.00 0.40 C ATOM 544 CD2 LEU A 33 -15.727 -4.042 8.008 1.00 0.48 C ATOM 0 H LEU A 33 -14.291 -7.543 7.285 1.00 0.31 H new ATOM 0 HA LEU A 33 -13.948 -4.964 6.248 1.00 0.33 H new ATOM 0 HB2 LEU A 33 -13.285 -6.343 8.894 1.00 0.38 H new ATOM 0 HB3 LEU A 33 -13.137 -4.611 8.669 1.00 0.38 H new ATOM 0 HG LEU A 33 -15.694 -6.174 8.162 1.00 0.39 H new ATOM 0 HD11 LEU A 33 -16.459 -5.185 10.327 1.00 0.40 H new ATOM 0 HD12 LEU A 33 -15.040 -6.235 10.557 1.00 0.40 H new ATOM 0 HD13 LEU A 33 -14.846 -4.466 10.552 1.00 0.40 H new ATOM 0 HD21 LEU A 33 -16.791 -3.962 8.233 1.00 0.48 H new ATOM 0 HD22 LEU A 33 -15.202 -3.185 8.430 1.00 0.48 H new ATOM 0 HD23 LEU A 33 -15.585 -4.058 6.927 1.00 0.48 H new ATOM 556 N THR A 34 -11.147 -6.618 6.672 1.00 0.28 N ATOM 557 CA THR A 34 -9.743 -6.567 6.325 1.00 0.27 C ATOM 558 C THR A 34 -9.541 -7.023 4.885 1.00 0.26 C ATOM 559 O THR A 34 -10.188 -7.944 4.390 1.00 0.30 O ATOM 560 CB THR A 34 -8.932 -7.406 7.315 1.00 0.31 C ATOM 561 OG1 THR A 34 -9.197 -6.955 8.626 1.00 0.41 O ATOM 562 CG2 THR A 34 -7.436 -7.242 7.064 1.00 0.32 C ATOM 0 H THR A 34 -11.463 -7.517 7.035 1.00 0.28 H new ATOM 0 HA THR A 34 -9.385 -5.540 6.393 1.00 0.27 H new ATOM 0 HB THR A 34 -9.214 -8.451 7.189 1.00 0.31 H new ATOM 0 HG1 THR A 34 -9.841 -7.557 9.055 1.00 0.41 H new ATOM 0 HG21 THR A 34 -6.879 -7.847 7.779 1.00 0.32 H new ATOM 0 HG22 THR A 34 -7.199 -7.567 6.051 1.00 0.32 H new ATOM 0 HG23 THR A 34 -7.160 -6.194 7.182 1.00 0.32 H new ATOM 570 N TRP A 35 -8.619 -6.344 4.213 1.00 0.22 N ATOM 571 CA TRP A 35 -8.338 -6.514 2.801 1.00 0.19 C ATOM 572 C TRP A 35 -6.933 -7.062 2.671 1.00 0.20 C ATOM 573 O TRP A 35 -6.043 -6.657 3.417 1.00 0.28 O ATOM 574 CB TRP A 35 -8.378 -5.156 2.105 1.00 0.18 C ATOM 575 CG TRP A 35 -9.706 -4.488 2.001 1.00 0.18 C ATOM 576 CD1 TRP A 35 -10.601 -4.340 2.998 1.00 0.22 C ATOM 577 CD2 TRP A 35 -10.285 -3.820 0.846 1.00 0.18 C ATOM 578 NE1 TRP A 35 -11.717 -3.692 2.532 1.00 0.22 N ATOM 579 CE2 TRP A 35 -11.578 -3.334 1.202 1.00 0.20 C ATOM 580 CE3 TRP A 35 -9.827 -3.558 -0.463 1.00 0.21 C ATOM 581 CZ2 TRP A 35 -12.384 -2.636 0.288 1.00 0.22 C ATOM 582 CZ3 TRP A 35 -10.624 -2.857 -1.382 1.00 0.23 C ATOM 583 CH2 TRP A 35 -11.901 -2.400 -1.012 1.00 0.23 C ATOM 0 H TRP A 35 -8.030 -5.638 4.654 1.00 0.22 H new ATOM 0 HA TRP A 35 -9.073 -7.183 2.353 1.00 0.19 H new ATOM 0 HB2 TRP A 35 -7.701 -4.484 2.634 1.00 0.18 H new ATOM 0 HB3 TRP A 35 -7.981 -5.280 1.097 1.00 0.18 H new ATOM 0 HD1 TRP A 35 -10.460 -4.681 4.013 1.00 0.22 H new ATOM 0 HE1 TRP A 35 -12.545 -3.498 3.095 1.00 0.22 H new ATOM 0 HE3 TRP A 35 -8.848 -3.902 -0.762 1.00 0.21 H new ATOM 0 HZ2 TRP A 35 -13.363 -2.285 0.580 1.00 0.22 H new ATOM 0 HZ3 TRP A 35 -10.254 -2.668 -2.379 1.00 0.23 H new ATOM 0 HH2 TRP A 35 -12.512 -1.867 -1.726 1.00 0.23 H new ATOM 594 N GLN A 36 -6.702 -7.929 1.694 1.00 0.18 N ATOM 595 CA GLN A 36 -5.396 -8.520 1.489 1.00 0.23 C ATOM 596 C GLN A 36 -5.137 -8.599 -0.005 1.00 0.30 C ATOM 597 O GLN A 36 -5.911 -9.214 -0.735 1.00 0.63 O ATOM 598 CB GLN A 36 -5.341 -9.913 2.141 1.00 0.30 C ATOM 599 CG GLN A 36 -6.653 -10.698 1.949 1.00 0.41 C ATOM 600 CD GLN A 36 -6.477 -12.213 1.912 1.00 0.74 C ATOM 601 OE1 GLN A 36 -5.493 -12.731 1.383 1.00 1.53 O ATOM 602 NE2 GLN A 36 -7.458 -12.953 2.411 1.00 1.15 N ATOM 0 H GLN A 36 -7.411 -8.237 1.029 1.00 0.18 H new ATOM 0 HA GLN A 36 -4.622 -7.909 1.955 1.00 0.23 H new ATOM 0 HB2 GLN A 36 -4.514 -10.480 1.713 1.00 0.30 H new ATOM 0 HB3 GLN A 36 -5.136 -9.806 3.206 1.00 0.30 H new ATOM 0 HG2 GLN A 36 -7.337 -10.443 2.758 1.00 0.41 H new ATOM 0 HG3 GLN A 36 -7.123 -10.376 1.020 1.00 0.41 H new ATOM 0 HE21 GLN A 36 -8.265 -12.505 2.845 1.00 1.15 H new ATOM 0 HE22 GLN A 36 -7.406 -13.970 2.361 1.00 1.15 H new ATOM 611 N GLY A 37 -4.039 -8.010 -0.472 1.00 0.18 N ATOM 612 CA GLY A 37 -3.664 -8.172 -1.862 1.00 0.18 C ATOM 613 C GLY A 37 -2.238 -7.728 -2.083 1.00 0.18 C ATOM 614 O GLY A 37 -1.430 -7.771 -1.154 1.00 0.28 O ATOM 0 H GLY A 37 -3.409 -7.430 0.082 1.00 0.18 H new ATOM 0 HA2 GLY A 37 -3.775 -9.216 -2.155 1.00 0.18 H new ATOM 0 HA3 GLY A 37 -4.334 -7.590 -2.495 1.00 0.18 H new ATOM 618 N LEU A 38 -1.920 -7.316 -3.307 1.00 0.17 N ATOM 619 CA LEU A 38 -0.626 -6.742 -3.613 1.00 0.18 C ATOM 620 C LEU A 38 -0.831 -5.504 -4.463 1.00 0.19 C ATOM 621 O LEU A 38 -1.889 -5.302 -5.060 1.00 0.23 O ATOM 622 CB LEU A 38 0.312 -7.782 -4.256 1.00 0.20 C ATOM 623 CG LEU A 38 -0.117 -8.351 -5.624 1.00 0.22 C ATOM 624 CD1 LEU A 38 0.136 -7.391 -6.792 1.00 0.29 C ATOM 625 CD2 LEU A 38 0.685 -9.623 -5.906 1.00 0.24 C ATOM 0 H LEU A 38 -2.552 -7.373 -4.106 1.00 0.17 H new ATOM 0 HA LEU A 38 -0.123 -6.437 -2.695 1.00 0.18 H new ATOM 0 HB2 LEU A 38 1.296 -7.328 -4.370 1.00 0.20 H new ATOM 0 HB3 LEU A 38 0.424 -8.615 -3.561 1.00 0.20 H new ATOM 0 HG LEU A 38 -1.190 -8.533 -5.558 1.00 0.22 H new ATOM 0 HD11 LEU A 38 -0.189 -7.856 -7.722 1.00 0.29 H new ATOM 0 HD12 LEU A 38 -0.423 -6.469 -6.633 1.00 0.29 H new ATOM 0 HD13 LEU A 38 1.200 -7.164 -6.853 1.00 0.29 H new ATOM 0 HD21 LEU A 38 0.389 -10.033 -6.871 1.00 0.24 H new ATOM 0 HD22 LEU A 38 1.749 -9.386 -5.923 1.00 0.24 H new ATOM 0 HD23 LEU A 38 0.489 -10.357 -5.124 1.00 0.24 H new ATOM 637 N ILE A 39 0.202 -4.679 -4.531 1.00 0.18 N ATOM 638 CA ILE A 39 0.232 -3.540 -5.415 1.00 0.16 C ATOM 639 C ILE A 39 1.440 -3.750 -6.312 1.00 0.16 C ATOM 640 O ILE A 39 2.545 -3.995 -5.826 1.00 0.22 O ATOM 641 CB ILE A 39 0.186 -2.217 -4.624 1.00 0.18 C ATOM 642 CG1 ILE A 39 1.182 -2.200 -3.450 1.00 0.20 C ATOM 643 CG2 ILE A 39 -1.246 -2.037 -4.094 1.00 0.20 C ATOM 644 CD1 ILE A 39 1.098 -0.917 -2.624 1.00 0.23 C ATOM 0 H ILE A 39 1.045 -4.788 -3.968 1.00 0.18 H new ATOM 0 HA ILE A 39 -0.650 -3.457 -6.050 1.00 0.16 H new ATOM 0 HB ILE A 39 0.471 -1.401 -5.288 1.00 0.18 H new ATOM 0 HG12 ILE A 39 0.990 -3.057 -2.804 1.00 0.20 H new ATOM 0 HG13 ILE A 39 2.195 -2.313 -3.837 1.00 0.20 H new ATOM 0 HG21 ILE A 39 -1.311 -1.107 -3.529 1.00 0.20 H new ATOM 0 HG22 ILE A 39 -1.942 -2.001 -4.932 1.00 0.20 H new ATOM 0 HG23 ILE A 39 -1.502 -2.875 -3.445 1.00 0.20 H new ATOM 0 HD11 ILE A 39 1.822 -0.960 -1.810 1.00 0.23 H new ATOM 0 HD12 ILE A 39 1.318 -0.060 -3.260 1.00 0.23 H new ATOM 0 HD13 ILE A 39 0.094 -0.815 -2.211 1.00 0.23 H new ATOM 656 N VAL A 40 1.178 -3.779 -7.618 1.00 0.21 N ATOM 657 CA VAL A 40 2.157 -3.862 -8.680 1.00 0.21 C ATOM 658 C VAL A 40 2.610 -2.424 -8.906 1.00 0.26 C ATOM 659 O VAL A 40 1.819 -1.621 -9.393 1.00 0.38 O ATOM 660 CB VAL A 40 1.488 -4.416 -9.958 1.00 0.20 C ATOM 661 CG1 VAL A 40 2.528 -4.722 -11.037 1.00 0.28 C ATOM 662 CG2 VAL A 40 0.693 -5.701 -9.701 1.00 0.28 C ATOM 0 H VAL A 40 0.223 -3.743 -7.974 1.00 0.21 H new ATOM 0 HA VAL A 40 2.990 -4.520 -8.433 1.00 0.21 H new ATOM 0 HB VAL A 40 0.805 -3.634 -10.291 1.00 0.20 H new ATOM 0 HG11 VAL A 40 2.028 -5.110 -11.924 1.00 0.28 H new ATOM 0 HG12 VAL A 40 3.066 -3.809 -11.293 1.00 0.28 H new ATOM 0 HG13 VAL A 40 3.232 -5.465 -10.663 1.00 0.28 H new ATOM 0 HG21 VAL A 40 0.245 -6.044 -10.634 1.00 0.28 H new ATOM 0 HG22 VAL A 40 1.361 -6.471 -9.314 1.00 0.28 H new ATOM 0 HG23 VAL A 40 -0.093 -5.503 -8.972 1.00 0.28 H new ATOM 672 N PRO A 41 3.824 -2.040 -8.511 1.00 0.35 N ATOM 673 CA PRO A 41 4.289 -0.697 -8.778 1.00 0.42 C ATOM 674 C PRO A 41 4.714 -0.570 -10.242 1.00 0.33 C ATOM 675 O PRO A 41 4.733 -1.556 -10.974 1.00 0.35 O ATOM 676 CB PRO A 41 5.448 -0.500 -7.812 1.00 0.64 C ATOM 677 CG PRO A 41 6.008 -1.903 -7.562 1.00 0.56 C ATOM 678 CD PRO A 41 4.830 -2.840 -7.833 1.00 0.49 C ATOM 0 HA PRO A 41 3.524 0.066 -8.632 1.00 0.42 H new ATOM 0 HB2 PRO A 41 6.207 0.157 -8.237 1.00 0.64 H new ATOM 0 HB3 PRO A 41 5.112 -0.039 -6.883 1.00 0.64 H new ATOM 0 HG2 PRO A 41 6.847 -2.119 -8.223 1.00 0.56 H new ATOM 0 HG3 PRO A 41 6.372 -2.009 -6.540 1.00 0.56 H new ATOM 0 HD2 PRO A 41 5.138 -3.684 -8.451 1.00 0.49 H new ATOM 0 HD3 PRO A 41 4.438 -3.252 -6.903 1.00 0.49 H new ATOM 686 N ASP A 42 5.091 0.645 -10.643 1.00 0.38 N ATOM 687 CA ASP A 42 5.604 0.942 -11.980 1.00 0.38 C ATOM 688 C ASP A 42 7.044 1.439 -11.861 1.00 0.33 C ATOM 689 O ASP A 42 7.935 0.930 -12.533 1.00 0.33 O ATOM 690 CB ASP A 42 4.745 2.010 -12.675 1.00 0.51 C ATOM 691 CG ASP A 42 3.435 1.473 -13.254 1.00 0.73 C ATOM 692 OD1 ASP A 42 3.501 0.507 -14.042 1.00 1.15 O ATOM 693 OD2 ASP A 42 2.379 2.070 -12.941 1.00 1.54 O ATOM 0 H ASP A 42 5.047 1.464 -10.037 1.00 0.38 H new ATOM 0 HA ASP A 42 5.568 0.033 -12.580 1.00 0.38 H new ATOM 0 HB2 ASP A 42 4.517 2.801 -11.960 1.00 0.51 H new ATOM 0 HB3 ASP A 42 5.326 2.464 -13.478 1.00 0.51 H new ATOM 698 N ASN A 43 7.271 2.463 -11.027 1.00 0.33 N ATOM 699 CA ASN A 43 8.582 3.102 -10.890 1.00 0.30 C ATOM 700 C ASN A 43 9.643 2.145 -10.339 1.00 0.28 C ATOM 701 O ASN A 43 10.650 1.909 -11.003 1.00 0.30 O ATOM 702 CB ASN A 43 8.500 4.386 -10.046 1.00 0.33 C ATOM 703 CG ASN A 43 9.018 5.591 -10.814 1.00 0.49 C ATOM 704 OD1 ASN A 43 10.220 5.744 -11.000 1.00 0.62 O ATOM 705 ND2 ASN A 43 8.128 6.454 -11.283 1.00 0.68 N ATOM 0 H ASN A 43 6.551 2.869 -10.430 1.00 0.33 H new ATOM 0 HA ASN A 43 8.897 3.382 -11.895 1.00 0.30 H new ATOM 0 HB2 ASN A 43 7.467 4.561 -9.747 1.00 0.33 H new ATOM 0 HB3 ASN A 43 9.080 4.259 -9.132 1.00 0.33 H new ATOM 0 HD21 ASN A 43 8.438 7.269 -11.813 1.00 0.68 H new ATOM 0 HD22 ASN A 43 7.133 6.303 -11.114 1.00 0.68 H new ATOM 712 N PRO A 44 9.492 1.618 -9.112 1.00 0.26 N ATOM 713 CA PRO A 44 10.440 0.654 -8.585 1.00 0.24 C ATOM 714 C PRO A 44 10.267 -0.686 -9.308 1.00 0.26 C ATOM 715 O PRO A 44 9.212 -0.965 -9.877 1.00 0.33 O ATOM 716 CB PRO A 44 10.117 0.548 -7.093 1.00 0.26 C ATOM 717 CG PRO A 44 8.613 0.775 -7.088 1.00 0.26 C ATOM 718 CD PRO A 44 8.436 1.863 -8.148 1.00 0.29 C ATOM 0 HA PRO A 44 11.478 0.951 -8.734 1.00 0.24 H new ATOM 0 HB2 PRO A 44 10.386 -0.426 -6.684 1.00 0.26 H new ATOM 0 HB3 PRO A 44 10.646 1.298 -6.505 1.00 0.26 H new ATOM 0 HG2 PRO A 44 8.065 -0.132 -7.343 1.00 0.26 H new ATOM 0 HG3 PRO A 44 8.255 1.099 -6.111 1.00 0.26 H new ATOM 0 HD2 PRO A 44 7.453 1.804 -8.615 1.00 0.29 H new ATOM 0 HD3 PRO A 44 8.522 2.858 -7.711 1.00 0.29 H new ATOM 726 N PRO A 45 11.293 -1.541 -9.250 1.00 0.25 N ATOM 727 CA PRO A 45 11.373 -2.788 -9.991 1.00 0.32 C ATOM 728 C PRO A 45 10.242 -3.750 -9.635 1.00 0.43 C ATOM 729 O PRO A 45 10.301 -4.444 -8.617 1.00 0.84 O ATOM 730 CB PRO A 45 12.753 -3.366 -9.697 1.00 0.36 C ATOM 731 CG PRO A 45 13.155 -2.671 -8.405 1.00 0.29 C ATOM 732 CD PRO A 45 12.522 -1.299 -8.534 1.00 0.26 C ATOM 0 HA PRO A 45 11.248 -2.616 -11.060 1.00 0.32 H new ATOM 0 HB2 PRO A 45 12.719 -4.449 -9.577 1.00 0.36 H new ATOM 0 HB3 PRO A 45 13.457 -3.156 -10.502 1.00 0.36 H new ATOM 0 HG2 PRO A 45 12.784 -3.204 -7.530 1.00 0.29 H new ATOM 0 HG3 PRO A 45 14.238 -2.606 -8.304 1.00 0.29 H new ATOM 0 HD2 PRO A 45 12.333 -0.855 -7.557 1.00 0.26 H new ATOM 0 HD3 PRO A 45 13.170 -0.611 -9.077 1.00 0.26 H new ATOM 740 N TYR A 46 9.242 -3.811 -10.517 1.00 0.29 N ATOM 741 CA TYR A 46 8.088 -4.692 -10.402 1.00 0.34 C ATOM 742 C TYR A 46 8.253 -5.941 -11.271 1.00 0.40 C ATOM 743 O TYR A 46 7.559 -6.935 -11.086 1.00 0.75 O ATOM 744 CB TYR A 46 6.812 -3.938 -10.782 1.00 0.36 C ATOM 745 CG TYR A 46 6.730 -3.552 -12.241 1.00 0.39 C ATOM 746 CD1 TYR A 46 6.070 -4.397 -13.152 1.00 1.48 C ATOM 747 CD2 TYR A 46 7.322 -2.355 -12.686 1.00 1.64 C ATOM 748 CE1 TYR A 46 6.015 -4.056 -14.514 1.00 1.58 C ATOM 749 CE2 TYR A 46 7.280 -2.013 -14.047 1.00 1.84 C ATOM 750 CZ TYR A 46 6.631 -2.869 -14.968 1.00 1.07 C ATOM 751 OH TYR A 46 6.592 -2.559 -16.294 1.00 1.44 O ATOM 0 H TYR A 46 9.216 -3.229 -11.355 1.00 0.29 H new ATOM 0 HA TYR A 46 8.011 -5.018 -9.365 1.00 0.34 H new ATOM 0 HB2 TYR A 46 5.950 -4.557 -10.533 1.00 0.36 H new ATOM 0 HB3 TYR A 46 6.743 -3.035 -10.175 1.00 0.36 H new ATOM 0 HD1 TYR A 46 5.606 -5.308 -12.804 1.00 1.48 H new ATOM 0 HD2 TYR A 46 7.809 -1.699 -11.980 1.00 1.64 H new ATOM 0 HE1 TYR A 46 5.502 -4.701 -15.213 1.00 1.58 H new ATOM 0 HE2 TYR A 46 7.742 -1.099 -14.390 1.00 1.84 H new ATOM 0 HH TYR A 46 7.059 -1.711 -16.446 1.00 1.44 H new ATOM 761 N ASP A 47 9.191 -5.938 -12.221 1.00 0.37 N ATOM 762 CA ASP A 47 9.429 -7.097 -13.077 1.00 0.39 C ATOM 763 C ASP A 47 9.739 -8.324 -12.220 1.00 0.42 C ATOM 764 O ASP A 47 9.302 -9.436 -12.523 1.00 0.61 O ATOM 765 CB ASP A 47 10.596 -6.830 -14.039 1.00 0.40 C ATOM 766 CG ASP A 47 10.381 -5.592 -14.899 1.00 1.46 C ATOM 767 OD1 ASP A 47 10.203 -5.767 -16.122 1.00 2.26 O ATOM 768 OD2 ASP A 47 10.440 -4.495 -14.297 1.00 2.83 O ATOM 0 H ASP A 47 9.799 -5.142 -12.415 1.00 0.37 H new ATOM 0 HA ASP A 47 8.529 -7.282 -13.663 1.00 0.39 H new ATOM 0 HB2 ASP A 47 11.515 -6.712 -13.464 1.00 0.40 H new ATOM 0 HB3 ASP A 47 10.733 -7.697 -14.686 1.00 0.40 H new ATOM 773 N LYS A 48 10.513 -8.109 -11.148 1.00 0.33 N ATOM 774 CA LYS A 48 10.981 -9.166 -10.259 1.00 0.31 C ATOM 775 C LYS A 48 9.927 -9.553 -9.219 1.00 0.26 C ATOM 776 O LYS A 48 10.081 -10.598 -8.594 1.00 0.31 O ATOM 777 CB LYS A 48 12.305 -8.764 -9.573 1.00 0.37 C ATOM 778 CG LYS A 48 13.497 -8.698 -10.542 1.00 0.49 C ATOM 779 CD LYS A 48 13.631 -7.310 -11.172 1.00 1.01 C ATOM 780 CE LYS A 48 14.886 -7.174 -12.036 1.00 1.13 C ATOM 781 NZ LYS A 48 14.820 -7.939 -13.297 1.00 1.96 N ATOM 0 H LYS A 48 10.833 -7.180 -10.875 1.00 0.33 H new ATOM 0 HA LYS A 48 11.164 -10.045 -10.876 1.00 0.31 H new ATOM 0 HB2 LYS A 48 12.179 -7.792 -9.097 1.00 0.37 H new ATOM 0 HB3 LYS A 48 12.528 -9.480 -8.782 1.00 0.37 H new ATOM 0 HG2 LYS A 48 14.415 -8.947 -10.009 1.00 0.49 H new ATOM 0 HG3 LYS A 48 13.371 -9.444 -11.326 1.00 0.49 H new ATOM 0 HD2 LYS A 48 12.751 -7.105 -11.782 1.00 1.01 H new ATOM 0 HD3 LYS A 48 13.654 -6.558 -10.383 1.00 1.01 H new ATOM 0 HE2 LYS A 48 15.046 -6.121 -12.267 1.00 1.13 H new ATOM 0 HE3 LYS A 48 15.750 -7.509 -11.462 1.00 1.13 H new ATOM 0 HZ1 LYS A 48 15.701 -7.802 -13.832 1.00 1.96 H new ATOM 0 HZ2 LYS A 48 14.698 -8.950 -13.084 1.00 1.96 H new ATOM 0 HZ3 LYS A 48 14.015 -7.605 -13.864 1.00 1.96 H new ATOM 795 N GLY A 49 8.893 -8.740 -8.982 1.00 0.24 N ATOM 796 CA GLY A 49 7.949 -8.991 -7.900 1.00 0.25 C ATOM 797 C GLY A 49 7.108 -7.750 -7.601 1.00 0.25 C ATOM 798 O GLY A 49 6.976 -6.872 -8.442 1.00 0.34 O ATOM 0 H GLY A 49 8.692 -7.902 -9.528 1.00 0.24 H new ATOM 0 HA2 GLY A 49 7.295 -9.820 -8.169 1.00 0.25 H new ATOM 0 HA3 GLY A 49 8.491 -9.291 -7.003 1.00 0.25 H new ATOM 802 N ALA A 50 6.495 -7.671 -6.423 1.00 0.26 N ATOM 803 CA ALA A 50 5.538 -6.634 -6.071 1.00 0.27 C ATOM 804 C ALA A 50 5.521 -6.489 -4.551 1.00 0.24 C ATOM 805 O ALA A 50 6.329 -7.105 -3.858 1.00 0.27 O ATOM 806 CB ALA A 50 4.159 -7.038 -6.609 1.00 0.32 C ATOM 0 H ALA A 50 6.656 -8.343 -5.672 1.00 0.26 H new ATOM 0 HA ALA A 50 5.812 -5.674 -6.509 1.00 0.27 H new ATOM 0 HB1 ALA A 50 3.429 -6.270 -6.353 1.00 0.32 H new ATOM 0 HB2 ALA A 50 4.208 -7.145 -7.693 1.00 0.32 H new ATOM 0 HB3 ALA A 50 3.858 -7.987 -6.164 1.00 0.32 H new ATOM 812 N PHE A 51 4.582 -5.708 -4.016 1.00 0.30 N ATOM 813 CA PHE A 51 4.469 -5.501 -2.582 1.00 0.29 C ATOM 814 C PHE A 51 3.157 -6.095 -2.096 1.00 0.22 C ATOM 815 O PHE A 51 2.091 -5.569 -2.409 1.00 0.27 O ATOM 816 CB PHE A 51 4.583 -3.999 -2.284 1.00 0.43 C ATOM 817 CG PHE A 51 6.027 -3.555 -2.204 1.00 0.60 C ATOM 818 CD1 PHE A 51 6.628 -2.773 -3.211 1.00 1.28 C ATOM 819 CD2 PHE A 51 6.805 -4.022 -1.136 1.00 2.17 C ATOM 820 CE1 PHE A 51 8.006 -2.491 -3.159 1.00 1.17 C ATOM 821 CE2 PHE A 51 8.171 -3.730 -1.083 1.00 2.66 C ATOM 822 CZ PHE A 51 8.783 -2.974 -2.092 1.00 1.58 C ATOM 0 H PHE A 51 3.885 -5.206 -4.566 1.00 0.30 H new ATOM 0 HA PHE A 51 5.274 -6.005 -2.047 1.00 0.29 H new ATOM 0 HB2 PHE A 51 4.070 -3.433 -3.062 1.00 0.43 H new ATOM 0 HB3 PHE A 51 4.080 -3.775 -1.343 1.00 0.43 H new ATOM 0 HD1 PHE A 51 6.030 -2.389 -4.024 1.00 1.28 H new ATOM 0 HD2 PHE A 51 6.348 -4.609 -0.353 1.00 2.17 H new ATOM 0 HE1 PHE A 51 8.466 -1.903 -3.939 1.00 1.17 H new ATOM 0 HE2 PHE A 51 8.762 -4.091 -0.254 1.00 2.66 H new ATOM 0 HZ PHE A 51 9.842 -2.765 -2.050 1.00 1.58 H new ATOM 832 N ARG A 52 3.211 -7.195 -1.334 1.00 0.28 N ATOM 833 CA ARG A 52 2.003 -7.697 -0.690 1.00 0.27 C ATOM 834 C ARG A 52 1.684 -6.793 0.493 1.00 0.24 C ATOM 835 O ARG A 52 2.543 -6.626 1.365 1.00 0.30 O ATOM 836 CB ARG A 52 2.127 -9.164 -0.236 1.00 0.32 C ATOM 837 CG ARG A 52 0.741 -9.802 -0.330 1.00 0.63 C ATOM 838 CD ARG A 52 0.627 -11.189 0.303 1.00 0.49 C ATOM 839 NE ARG A 52 -0.758 -11.666 0.152 1.00 1.16 N ATOM 840 CZ ARG A 52 -1.497 -12.319 1.056 1.00 1.42 C ATOM 841 NH1 ARG A 52 -2.800 -12.476 0.832 1.00 2.12 N ATOM 842 NH2 ARG A 52 -0.947 -12.757 2.187 1.00 2.31 N ATOM 0 H ARG A 52 4.056 -7.738 -1.155 1.00 0.28 H new ATOM 0 HA ARG A 52 1.193 -7.681 -1.419 1.00 0.27 H new ATOM 0 HB2 ARG A 52 2.837 -9.700 -0.866 1.00 0.32 H new ATOM 0 HB3 ARG A 52 2.503 -9.217 0.786 1.00 0.32 H new ATOM 0 HG2 ARG A 52 0.019 -9.140 0.148 1.00 0.63 H new ATOM 0 HG3 ARG A 52 0.461 -9.874 -1.381 1.00 0.63 H new ATOM 0 HD2 ARG A 52 1.319 -11.881 -0.177 1.00 0.49 H new ATOM 0 HD3 ARG A 52 0.899 -11.146 1.358 1.00 0.49 H new ATOM 0 HE ARG A 52 -1.205 -11.477 -0.745 1.00 1.16 H new ATOM 0 HH11 ARG A 52 -3.220 -12.101 -0.018 1.00 2.12 H new ATOM 0 HH12 ARG A 52 -3.378 -12.971 1.511 1.00 2.12 H new ATOM 0 HH21 ARG A 52 0.044 -12.595 2.368 1.00 2.31 H new ATOM 0 HH22 ARG A 52 -1.516 -13.254 2.872 1.00 2.31 H new ATOM 856 N ILE A 53 0.460 -6.263 0.554 1.00 0.19 N ATOM 857 CA ILE A 53 0.022 -5.361 1.607 1.00 0.19 C ATOM 858 C ILE A 53 -1.353 -5.776 2.118 1.00 0.20 C ATOM 859 O ILE A 53 -2.078 -6.522 1.455 1.00 0.24 O ATOM 860 CB ILE A 53 0.049 -3.895 1.134 1.00 0.22 C ATOM 861 CG1 ILE A 53 -1.044 -3.532 0.112 1.00 0.19 C ATOM 862 CG2 ILE A 53 1.421 -3.581 0.530 1.00 0.27 C ATOM 863 CD1 ILE A 53 -1.284 -2.020 0.112 1.00 0.26 C ATOM 0 H ILE A 53 -0.262 -6.455 -0.141 1.00 0.19 H new ATOM 0 HA ILE A 53 0.721 -5.432 2.441 1.00 0.19 H new ATOM 0 HB ILE A 53 -0.150 -3.292 2.020 1.00 0.22 H new ATOM 0 HG12 ILE A 53 -0.745 -3.860 -0.883 1.00 0.19 H new ATOM 0 HG13 ILE A 53 -1.969 -4.055 0.356 1.00 0.19 H new ATOM 0 HG21 ILE A 53 1.442 -2.544 0.195 1.00 0.27 H new ATOM 0 HG22 ILE A 53 2.194 -3.735 1.283 1.00 0.27 H new ATOM 0 HG23 ILE A 53 1.605 -4.240 -0.318 1.00 0.27 H new ATOM 0 HD11 ILE A 53 -2.059 -1.775 -0.614 1.00 0.26 H new ATOM 0 HD12 ILE A 53 -1.603 -1.702 1.105 1.00 0.26 H new ATOM 0 HD13 ILE A 53 -0.361 -1.505 -0.154 1.00 0.26 H new ATOM 875 N GLU A 54 -1.695 -5.341 3.323 1.00 0.22 N ATOM 876 CA GLU A 54 -2.947 -5.660 3.980 1.00 0.28 C ATOM 877 C GLU A 54 -3.509 -4.344 4.493 1.00 0.39 C ATOM 878 O GLU A 54 -2.743 -3.530 5.006 1.00 0.54 O ATOM 879 CB GLU A 54 -2.655 -6.635 5.122 1.00 0.34 C ATOM 880 CG GLU A 54 -3.932 -7.190 5.751 1.00 0.49 C ATOM 881 CD GLU A 54 -3.581 -8.108 6.914 1.00 0.74 C ATOM 882 OE1 GLU A 54 -2.972 -9.162 6.619 1.00 0.99 O ATOM 883 OE2 GLU A 54 -3.908 -7.731 8.063 1.00 1.72 O ATOM 0 H GLU A 54 -1.090 -4.740 3.883 1.00 0.22 H new ATOM 0 HA GLU A 54 -3.669 -6.133 3.315 1.00 0.28 H new ATOM 0 HB2 GLU A 54 -2.049 -7.460 4.747 1.00 0.34 H new ATOM 0 HB3 GLU A 54 -2.066 -6.129 5.887 1.00 0.34 H new ATOM 0 HG2 GLU A 54 -4.561 -6.371 6.100 1.00 0.49 H new ATOM 0 HG3 GLU A 54 -4.507 -7.738 5.005 1.00 0.49 H new ATOM 890 N ILE A 55 -4.814 -4.117 4.338 1.00 0.31 N ATOM 891 CA ILE A 55 -5.457 -2.893 4.784 1.00 0.30 C ATOM 892 C ILE A 55 -6.509 -3.292 5.803 1.00 0.29 C ATOM 893 O ILE A 55 -7.509 -3.924 5.465 1.00 0.47 O ATOM 894 CB ILE A 55 -6.091 -2.094 3.627 1.00 0.31 C ATOM 895 CG1 ILE A 55 -5.227 -2.069 2.349 1.00 0.35 C ATOM 896 CG2 ILE A 55 -6.342 -0.665 4.130 1.00 0.32 C ATOM 897 CD1 ILE A 55 -5.635 -3.156 1.354 1.00 0.58 C ATOM 0 H ILE A 55 -5.451 -4.781 3.898 1.00 0.31 H new ATOM 0 HA ILE A 55 -4.710 -2.230 5.220 1.00 0.30 H new ATOM 0 HB ILE A 55 -7.020 -2.587 3.340 1.00 0.31 H new ATOM 0 HG12 ILE A 55 -5.314 -1.092 1.873 1.00 0.35 H new ATOM 0 HG13 ILE A 55 -4.179 -2.200 2.618 1.00 0.35 H new ATOM 0 HG21 ILE A 55 -6.791 -0.072 3.333 1.00 0.32 H new ATOM 0 HG22 ILE A 55 -7.017 -0.694 4.985 1.00 0.32 H new ATOM 0 HG23 ILE A 55 -5.396 -0.213 4.429 1.00 0.32 H new ATOM 0 HD11 ILE A 55 -4.999 -3.098 0.471 1.00 0.58 H new ATOM 0 HD12 ILE A 55 -5.523 -4.135 1.819 1.00 0.58 H new ATOM 0 HD13 ILE A 55 -6.675 -3.010 1.062 1.00 0.58 H new ATOM 909 N ASN A 56 -6.286 -2.953 7.064 1.00 0.32 N ATOM 910 CA ASN A 56 -7.227 -3.282 8.113 1.00 0.29 C ATOM 911 C ASN A 56 -8.280 -2.182 8.118 1.00 0.32 C ATOM 912 O ASN A 56 -7.990 -1.054 8.524 1.00 0.38 O ATOM 913 CB ASN A 56 -6.489 -3.378 9.456 1.00 0.34 C ATOM 914 CG ASN A 56 -5.252 -4.262 9.352 1.00 0.41 C ATOM 915 OD1 ASN A 56 -4.136 -3.759 9.411 1.00 1.29 O ATOM 916 ND2 ASN A 56 -5.436 -5.561 9.149 1.00 0.89 N ATOM 0 H ASN A 56 -5.458 -2.449 7.382 1.00 0.32 H new ATOM 0 HA ASN A 56 -7.705 -4.247 7.946 1.00 0.29 H new ATOM 0 HB2 ASN A 56 -6.198 -2.380 9.784 1.00 0.34 H new ATOM 0 HB3 ASN A 56 -7.162 -3.779 10.214 1.00 0.34 H new ATOM 0 HD21 ASN A 56 -4.632 -6.178 9.036 1.00 0.89 H new ATOM 0 HD22 ASN A 56 -6.381 -5.942 9.106 1.00 0.89 H new ATOM 923 N PHE A 57 -9.491 -2.497 7.650 1.00 0.34 N ATOM 924 CA PHE A 57 -10.538 -1.505 7.430 1.00 0.47 C ATOM 925 C PHE A 57 -11.757 -1.852 8.290 1.00 0.56 C ATOM 926 O PHE A 57 -12.748 -2.385 7.799 1.00 0.72 O ATOM 927 CB PHE A 57 -10.847 -1.419 5.925 1.00 0.60 C ATOM 928 CG PHE A 57 -10.908 -0.008 5.387 1.00 0.56 C ATOM 929 CD1 PHE A 57 -9.850 0.489 4.609 1.00 1.71 C ATOM 930 CD2 PHE A 57 -12.034 0.798 5.625 1.00 1.89 C ATOM 931 CE1 PHE A 57 -9.925 1.772 4.042 1.00 1.56 C ATOM 932 CE2 PHE A 57 -12.112 2.081 5.053 1.00 2.17 C ATOM 933 CZ PHE A 57 -11.057 2.571 4.270 1.00 0.98 C ATOM 0 H PHE A 57 -9.770 -3.449 7.414 1.00 0.34 H new ATOM 0 HA PHE A 57 -10.212 -0.512 7.740 1.00 0.47 H new ATOM 0 HB2 PHE A 57 -10.085 -1.973 5.376 1.00 0.60 H new ATOM 0 HB3 PHE A 57 -11.800 -1.911 5.732 1.00 0.60 H new ATOM 0 HD1 PHE A 57 -8.973 -0.119 4.445 1.00 1.71 H new ATOM 0 HD2 PHE A 57 -12.839 0.433 6.246 1.00 1.89 H new ATOM 0 HE1 PHE A 57 -9.114 2.143 3.432 1.00 1.56 H new ATOM 0 HE2 PHE A 57 -12.988 2.691 5.218 1.00 2.17 H new ATOM 0 HZ PHE A 57 -11.115 3.561 3.843 1.00 0.98 H new ATOM 943 N PRO A 58 -11.692 -1.592 9.603 1.00 0.53 N ATOM 944 CA PRO A 58 -12.673 -2.101 10.547 1.00 0.60 C ATOM 945 C PRO A 58 -14.041 -1.449 10.350 1.00 0.54 C ATOM 946 O PRO A 58 -14.199 -0.477 9.614 1.00 0.48 O ATOM 947 CB PRO A 58 -12.087 -1.807 11.932 1.00 0.61 C ATOM 948 CG PRO A 58 -11.207 -0.585 11.685 1.00 0.52 C ATOM 949 CD PRO A 58 -10.645 -0.862 10.292 1.00 0.49 C ATOM 0 HA PRO A 58 -12.852 -3.167 10.409 1.00 0.60 H new ATOM 0 HB2 PRO A 58 -12.868 -1.600 12.664 1.00 0.61 H new ATOM 0 HB3 PRO A 58 -11.509 -2.649 12.312 1.00 0.61 H new ATOM 0 HG2 PRO A 58 -11.781 0.341 11.715 1.00 0.52 H new ATOM 0 HG3 PRO A 58 -10.418 -0.495 12.431 1.00 0.52 H new ATOM 0 HD2 PRO A 58 -10.403 0.065 9.773 1.00 0.49 H new ATOM 0 HD3 PRO A 58 -9.726 -1.446 10.346 1.00 0.49 H new ATOM 957 N ALA A 59 -15.047 -1.959 11.068 1.00 0.58 N ATOM 958 CA ALA A 59 -16.381 -1.381 11.048 1.00 0.56 C ATOM 959 C ALA A 59 -16.352 0.078 11.479 1.00 0.44 C ATOM 960 O ALA A 59 -17.158 0.880 11.016 1.00 0.39 O ATOM 961 CB ALA A 59 -17.330 -2.188 11.926 1.00 0.67 C ATOM 0 H ALA A 59 -14.954 -2.776 11.672 1.00 0.58 H new ATOM 0 HA ALA A 59 -16.750 -1.418 10.023 1.00 0.56 H new ATOM 0 HB1 ALA A 59 -18.323 -1.739 11.897 1.00 0.67 H new ATOM 0 HB2 ALA A 59 -17.384 -3.212 11.557 1.00 0.67 H new ATOM 0 HB3 ALA A 59 -16.963 -2.191 12.952 1.00 0.67 H new ATOM 967 N GLU A 60 -15.392 0.411 12.338 1.00 0.41 N ATOM 968 CA GLU A 60 -15.128 1.748 12.822 1.00 0.32 C ATOM 969 C GLU A 60 -14.513 2.654 11.755 1.00 0.29 C ATOM 970 O GLU A 60 -14.018 3.715 12.111 1.00 0.33 O ATOM 971 CB GLU A 60 -14.128 1.664 13.976 1.00 0.44 C ATOM 972 CG GLU A 60 -14.538 0.721 15.100 1.00 0.68 C ATOM 973 CD GLU A 60 -13.503 0.820 16.235 1.00 0.90 C ATOM 974 OE1 GLU A 60 -12.283 0.924 15.927 1.00 2.06 O ATOM 975 OE2 GLU A 60 -13.948 0.816 17.401 1.00 1.30 O ATOM 0 H GLU A 60 -14.752 -0.281 12.729 1.00 0.41 H new ATOM 0 HA GLU A 60 -16.085 2.172 13.126 1.00 0.32 H new ATOM 0 HB2 GLU A 60 -13.164 1.342 13.582 1.00 0.44 H new ATOM 0 HB3 GLU A 60 -13.986 2.662 14.390 1.00 0.44 H new ATOM 0 HG2 GLU A 60 -15.529 0.983 15.470 1.00 0.68 H new ATOM 0 HG3 GLU A 60 -14.596 -0.303 14.731 1.00 0.68 H new ATOM 982 N TYR A 61 -14.517 2.304 10.468 1.00 0.29 N ATOM 983 CA TYR A 61 -13.937 3.182 9.450 1.00 0.30 C ATOM 984 C TYR A 61 -14.395 4.649 9.578 1.00 0.27 C ATOM 985 O TYR A 61 -13.554 5.548 9.555 1.00 0.27 O ATOM 986 CB TYR A 61 -14.118 2.588 8.040 1.00 0.47 C ATOM 987 CG TYR A 61 -14.786 3.483 7.008 1.00 0.46 C ATOM 988 CD1 TYR A 61 -16.038 3.139 6.462 1.00 1.62 C ATOM 989 CD2 TYR A 61 -14.154 4.673 6.603 1.00 1.79 C ATOM 990 CE1 TYR A 61 -16.676 3.997 5.549 1.00 1.70 C ATOM 991 CE2 TYR A 61 -14.794 5.542 5.707 1.00 1.78 C ATOM 992 CZ TYR A 61 -16.061 5.214 5.178 1.00 0.65 C ATOM 993 OH TYR A 61 -16.701 6.071 4.334 1.00 0.81 O ATOM 0 H TYR A 61 -14.909 1.433 10.109 1.00 0.29 H new ATOM 0 HA TYR A 61 -12.863 3.227 9.631 1.00 0.30 H new ATOM 0 HB2 TYR A 61 -13.136 2.304 7.661 1.00 0.47 H new ATOM 0 HB3 TYR A 61 -14.703 1.673 8.128 1.00 0.47 H new ATOM 0 HD1 TYR A 61 -16.511 2.211 6.746 1.00 1.62 H new ATOM 0 HD2 TYR A 61 -13.173 4.918 6.983 1.00 1.79 H new ATOM 0 HE1 TYR A 61 -17.635 3.726 5.132 1.00 1.70 H new ATOM 0 HE2 TYR A 61 -14.315 6.467 5.420 1.00 1.78 H new ATOM 0 HH TYR A 61 -16.458 6.993 4.558 1.00 0.81 H new ATOM 1003 N PRO A 62 -15.694 4.954 9.717 1.00 0.29 N ATOM 1004 CA PRO A 62 -16.115 6.340 9.796 1.00 0.31 C ATOM 1005 C PRO A 62 -15.791 6.961 11.160 1.00 0.29 C ATOM 1006 O PRO A 62 -15.869 8.175 11.302 1.00 0.35 O ATOM 1007 CB PRO A 62 -17.612 6.319 9.493 1.00 0.35 C ATOM 1008 CG PRO A 62 -18.058 4.949 10.002 1.00 0.35 C ATOM 1009 CD PRO A 62 -16.838 4.056 9.776 1.00 0.33 C ATOM 0 HA PRO A 62 -15.581 6.970 9.085 1.00 0.31 H new ATOM 0 HB2 PRO A 62 -18.136 7.127 10.003 1.00 0.35 H new ATOM 0 HB3 PRO A 62 -17.808 6.435 8.427 1.00 0.35 H new ATOM 0 HG2 PRO A 62 -18.336 4.986 11.055 1.00 0.35 H new ATOM 0 HG3 PRO A 62 -18.927 4.583 9.455 1.00 0.35 H new ATOM 0 HD2 PRO A 62 -16.727 3.334 10.585 1.00 0.33 H new ATOM 0 HD3 PRO A 62 -16.936 3.487 8.852 1.00 0.33 H new ATOM 1017 N PHE A 63 -15.424 6.157 12.161 1.00 0.28 N ATOM 1018 CA PHE A 63 -14.996 6.605 13.482 1.00 0.28 C ATOM 1019 C PHE A 63 -13.500 6.924 13.525 1.00 0.30 C ATOM 1020 O PHE A 63 -13.092 7.805 14.276 1.00 0.40 O ATOM 1021 CB PHE A 63 -15.305 5.521 14.528 1.00 0.26 C ATOM 1022 CG PHE A 63 -16.625 5.696 15.246 1.00 0.40 C ATOM 1023 CD1 PHE A 63 -16.640 6.076 16.602 1.00 1.67 C ATOM 1024 CD2 PHE A 63 -17.835 5.462 14.571 1.00 1.89 C ATOM 1025 CE1 PHE A 63 -17.862 6.221 17.279 1.00 1.70 C ATOM 1026 CE2 PHE A 63 -19.058 5.608 15.250 1.00 2.03 C ATOM 1027 CZ PHE A 63 -19.071 5.986 16.604 1.00 0.88 C ATOM 0 H PHE A 63 -15.418 5.141 12.067 1.00 0.28 H new ATOM 0 HA PHE A 63 -15.546 7.519 13.706 1.00 0.28 H new ATOM 0 HB2 PHE A 63 -15.300 4.548 14.036 1.00 0.26 H new ATOM 0 HB3 PHE A 63 -14.504 5.509 15.267 1.00 0.26 H new ATOM 0 HD1 PHE A 63 -15.711 6.256 17.122 1.00 1.67 H new ATOM 0 HD2 PHE A 63 -17.826 5.170 13.531 1.00 1.89 H new ATOM 0 HE1 PHE A 63 -17.872 6.513 18.319 1.00 1.70 H new ATOM 0 HE2 PHE A 63 -19.988 5.430 14.731 1.00 2.03 H new ATOM 0 HZ PHE A 63 -20.011 6.096 17.125 1.00 0.88 H new ATOM 1037 N LYS A 64 -12.657 6.178 12.807 1.00 0.25 N ATOM 1038 CA LYS A 64 -11.207 6.257 12.961 1.00 0.26 C ATOM 1039 C LYS A 64 -10.555 5.757 11.682 1.00 0.25 C ATOM 1040 O LYS A 64 -11.112 4.885 11.018 1.00 0.25 O ATOM 1041 CB LYS A 64 -10.758 5.440 14.192 1.00 0.34 C ATOM 1042 CG LYS A 64 -11.244 3.980 14.218 1.00 1.31 C ATOM 1043 CD LYS A 64 -10.284 2.968 13.578 1.00 2.36 C ATOM 1044 CE LYS A 64 -9.151 2.587 14.531 1.00 2.77 C ATOM 1045 NZ LYS A 64 -9.662 1.816 15.692 1.00 2.95 N ATOM 0 H LYS A 64 -12.962 5.504 12.105 1.00 0.25 H new ATOM 0 HA LYS A 64 -10.898 7.288 13.130 1.00 0.26 H new ATOM 0 HB2 LYS A 64 -9.669 5.445 14.235 1.00 0.34 H new ATOM 0 HB3 LYS A 64 -11.115 5.942 15.092 1.00 0.34 H new ATOM 0 HG2 LYS A 64 -11.418 3.689 15.254 1.00 1.31 H new ATOM 0 HG3 LYS A 64 -12.204 3.923 13.705 1.00 1.31 H new ATOM 0 HD2 LYS A 64 -10.836 2.073 13.292 1.00 2.36 H new ATOM 0 HD3 LYS A 64 -9.865 3.390 12.664 1.00 2.36 H new ATOM 0 HE2 LYS A 64 -8.407 1.995 13.997 1.00 2.77 H new ATOM 0 HE3 LYS A 64 -8.649 3.489 14.882 1.00 2.77 H new ATOM 0 HZ1 LYS A 64 -9.566 2.386 16.557 1.00 2.95 H new ATOM 0 HZ2 LYS A 64 -10.664 1.583 15.540 1.00 2.95 H new ATOM 0 HZ3 LYS A 64 -9.114 0.938 15.794 1.00 2.95 H new ATOM 1059 N PRO A 65 -9.381 6.281 11.313 1.00 0.27 N ATOM 1060 CA PRO A 65 -8.760 5.904 10.063 1.00 0.29 C ATOM 1061 C PRO A 65 -8.286 4.446 10.131 1.00 0.26 C ATOM 1062 O PRO A 65 -7.898 3.962 11.195 1.00 0.25 O ATOM 1063 CB PRO A 65 -7.611 6.893 9.868 1.00 0.35 C ATOM 1064 CG PRO A 65 -7.234 7.290 11.294 1.00 0.34 C ATOM 1065 CD PRO A 65 -8.567 7.235 12.043 1.00 0.30 C ATOM 0 HA PRO A 65 -9.444 5.950 9.216 1.00 0.29 H new ATOM 0 HB2 PRO A 65 -6.772 6.435 9.344 1.00 0.35 H new ATOM 0 HB3 PRO A 65 -7.921 7.757 9.280 1.00 0.35 H new ATOM 0 HG2 PRO A 65 -6.504 6.603 11.722 1.00 0.34 H new ATOM 0 HG3 PRO A 65 -6.794 8.286 11.330 1.00 0.34 H new ATOM 0 HD2 PRO A 65 -8.424 6.920 13.077 1.00 0.30 H new ATOM 0 HD3 PRO A 65 -9.042 8.216 12.072 1.00 0.30 H new ATOM 1073 N PRO A 66 -8.318 3.744 8.992 1.00 0.31 N ATOM 1074 CA PRO A 66 -7.799 2.394 8.845 1.00 0.32 C ATOM 1075 C PRO A 66 -6.280 2.413 8.971 1.00 0.34 C ATOM 1076 O PRO A 66 -5.651 3.470 8.940 1.00 0.40 O ATOM 1077 CB PRO A 66 -8.253 1.937 7.456 1.00 0.42 C ATOM 1078 CG PRO A 66 -8.345 3.246 6.681 1.00 0.47 C ATOM 1079 CD PRO A 66 -8.762 4.274 7.721 1.00 0.42 C ATOM 0 HA PRO A 66 -8.163 1.712 9.613 1.00 0.32 H new ATOM 0 HB2 PRO A 66 -7.539 1.249 7.004 1.00 0.42 H new ATOM 0 HB3 PRO A 66 -9.213 1.421 7.494 1.00 0.42 H new ATOM 0 HG2 PRO A 66 -7.389 3.506 6.226 1.00 0.47 H new ATOM 0 HG3 PRO A 66 -9.074 3.179 5.874 1.00 0.47 H new ATOM 0 HD2 PRO A 66 -8.305 5.243 7.519 1.00 0.42 H new ATOM 0 HD3 PRO A 66 -9.842 4.423 7.714 1.00 0.42 H new ATOM 1087 N LYS A 67 -5.672 1.233 9.066 1.00 0.34 N ATOM 1088 CA LYS A 67 -4.223 1.108 9.031 1.00 0.42 C ATOM 1089 C LYS A 67 -3.862 0.125 7.935 1.00 0.34 C ATOM 1090 O LYS A 67 -4.725 -0.561 7.392 1.00 0.50 O ATOM 1091 CB LYS A 67 -3.659 0.698 10.405 1.00 0.60 C ATOM 1092 CG LYS A 67 -3.345 1.923 11.285 1.00 1.25 C ATOM 1093 CD LYS A 67 -1.921 1.873 11.864 1.00 1.05 C ATOM 1094 CE LYS A 67 -1.824 0.875 13.023 1.00 1.78 C ATOM 1095 NZ LYS A 67 -0.424 0.640 13.449 1.00 2.16 N ATOM 0 H LYS A 67 -6.167 0.347 9.168 1.00 0.34 H new ATOM 0 HA LYS A 67 -3.767 2.072 8.807 1.00 0.42 H new ATOM 0 HB2 LYS A 67 -4.378 0.058 10.916 1.00 0.60 H new ATOM 0 HB3 LYS A 67 -2.752 0.110 10.265 1.00 0.60 H new ATOM 0 HG2 LYS A 67 -3.464 2.832 10.695 1.00 1.25 H new ATOM 0 HG3 LYS A 67 -4.066 1.976 12.101 1.00 1.25 H new ATOM 0 HD2 LYS A 67 -1.217 1.592 11.080 1.00 1.05 H new ATOM 0 HD3 LYS A 67 -1.632 2.865 12.211 1.00 1.05 H new ATOM 0 HE2 LYS A 67 -2.401 1.248 13.869 1.00 1.78 H new ATOM 0 HE3 LYS A 67 -2.274 -0.072 12.723 1.00 1.78 H new ATOM 0 HZ1 LYS A 67 -0.308 -0.356 13.726 1.00 2.16 H new ATOM 0 HZ2 LYS A 67 0.220 0.857 12.661 1.00 2.16 H new ATOM 0 HZ3 LYS A 67 -0.200 1.253 14.258 1.00 2.16 H new ATOM 1109 N ILE A 68 -2.582 0.096 7.589 1.00 0.20 N ATOM 1110 CA ILE A 68 -2.055 -0.745 6.533 1.00 0.20 C ATOM 1111 C ILE A 68 -0.782 -1.350 7.092 1.00 0.20 C ATOM 1112 O ILE A 68 -0.095 -0.709 7.894 1.00 0.24 O ATOM 1113 CB ILE A 68 -1.752 0.077 5.262 1.00 0.20 C ATOM 1114 CG1 ILE A 68 -2.713 1.271 5.108 1.00 0.25 C ATOM 1115 CG2 ILE A 68 -1.779 -0.810 4.015 1.00 0.28 C ATOM 1116 CD1 ILE A 68 -2.319 2.149 3.932 1.00 0.36 C ATOM 0 H ILE A 68 -1.871 0.668 8.045 1.00 0.20 H new ATOM 0 HA ILE A 68 -2.775 -1.509 6.240 1.00 0.20 H new ATOM 0 HB ILE A 68 -0.746 0.482 5.372 1.00 0.20 H new ATOM 0 HG12 ILE A 68 -3.730 0.906 4.967 1.00 0.25 H new ATOM 0 HG13 ILE A 68 -2.711 1.863 6.023 1.00 0.25 H new ATOM 0 HG21 ILE A 68 -1.562 -0.206 3.134 1.00 0.28 H new ATOM 0 HG22 ILE A 68 -1.028 -1.595 4.110 1.00 0.28 H new ATOM 0 HG23 ILE A 68 -2.765 -1.262 3.911 1.00 0.28 H new ATOM 0 HD11 ILE A 68 -3.017 2.982 3.850 1.00 0.36 H new ATOM 0 HD12 ILE A 68 -1.311 2.533 4.087 1.00 0.36 H new ATOM 0 HD13 ILE A 68 -2.346 1.562 3.014 1.00 0.36 H new ATOM 1128 N THR A 69 -0.439 -2.562 6.678 1.00 0.20 N ATOM 1129 CA THR A 69 0.872 -3.098 6.980 1.00 0.21 C ATOM 1130 C THR A 69 1.321 -3.936 5.789 1.00 0.22 C ATOM 1131 O THR A 69 0.552 -4.734 5.245 1.00 0.38 O ATOM 1132 CB THR A 69 0.833 -3.893 8.296 1.00 0.22 C ATOM 1133 OG1 THR A 69 0.097 -3.199 9.283 1.00 0.26 O ATOM 1134 CG2 THR A 69 2.240 -4.078 8.858 1.00 0.24 C ATOM 0 H THR A 69 -1.044 -3.182 6.140 1.00 0.20 H new ATOM 0 HA THR A 69 1.600 -2.301 7.134 1.00 0.21 H new ATOM 0 HB THR A 69 0.371 -4.854 8.068 1.00 0.22 H new ATOM 0 HG1 THR A 69 0.084 -3.724 10.111 1.00 0.26 H new ATOM 0 HG21 THR A 69 2.189 -4.643 9.789 1.00 0.24 H new ATOM 0 HG22 THR A 69 2.851 -4.621 8.137 1.00 0.24 H new ATOM 0 HG23 THR A 69 2.686 -3.102 9.050 1.00 0.24 H new ATOM 1142 N PHE A 70 2.552 -3.721 5.329 1.00 0.13 N ATOM 1143 CA PHE A 70 3.122 -4.530 4.274 1.00 0.13 C ATOM 1144 C PHE A 70 3.627 -5.819 4.902 1.00 0.17 C ATOM 1145 O PHE A 70 4.223 -5.809 5.974 1.00 0.26 O ATOM 1146 CB PHE A 70 4.273 -3.823 3.545 1.00 0.15 C ATOM 1147 CG PHE A 70 3.905 -2.645 2.654 1.00 0.16 C ATOM 1148 CD1 PHE A 70 2.988 -1.652 3.059 1.00 0.17 C ATOM 1149 CD2 PHE A 70 4.517 -2.532 1.391 1.00 0.20 C ATOM 1150 CE1 PHE A 70 2.694 -0.572 2.212 1.00 0.19 C ATOM 1151 CE2 PHE A 70 4.248 -1.435 0.555 1.00 0.22 C ATOM 1152 CZ PHE A 70 3.341 -0.448 0.972 1.00 0.20 C ATOM 0 H PHE A 70 3.170 -2.988 5.678 1.00 0.13 H new ATOM 0 HA PHE A 70 2.352 -4.722 3.527 1.00 0.13 H new ATOM 0 HB2 PHE A 70 4.984 -3.473 4.293 1.00 0.15 H new ATOM 0 HB3 PHE A 70 4.792 -4.562 2.934 1.00 0.15 H new ATOM 0 HD1 PHE A 70 2.510 -1.723 4.025 1.00 0.17 H new ATOM 0 HD2 PHE A 70 5.202 -3.299 1.060 1.00 0.20 H new ATOM 0 HE1 PHE A 70 1.967 0.167 2.515 1.00 0.19 H new ATOM 0 HE2 PHE A 70 4.737 -1.352 -0.404 1.00 0.22 H new ATOM 0 HZ PHE A 70 3.141 0.405 0.340 1.00 0.20 H new ATOM 1162 N LYS A 71 3.386 -6.931 4.215 1.00 0.26 N ATOM 1163 CA LYS A 71 3.856 -8.241 4.638 1.00 0.31 C ATOM 1164 C LYS A 71 5.211 -8.532 4.005 1.00 0.27 C ATOM 1165 O LYS A 71 5.986 -9.325 4.531 1.00 0.39 O ATOM 1166 CB LYS A 71 2.812 -9.286 4.242 1.00 0.41 C ATOM 1167 CG LYS A 71 1.518 -9.055 5.040 1.00 0.94 C ATOM 1168 CD LYS A 71 0.285 -9.559 4.294 1.00 1.47 C ATOM 1169 CE LYS A 71 0.004 -8.621 3.115 1.00 3.51 C ATOM 1170 NZ LYS A 71 -1.291 -8.946 2.482 1.00 5.47 N ATOM 0 H LYS A 71 2.856 -6.946 3.344 1.00 0.26 H new ATOM 0 HA LYS A 71 3.986 -8.270 5.720 1.00 0.31 H new ATOM 0 HB2 LYS A 71 2.608 -9.223 3.173 1.00 0.41 H new ATOM 0 HB3 LYS A 71 3.195 -10.288 4.435 1.00 0.41 H new ATOM 0 HG2 LYS A 71 1.591 -9.561 6.002 1.00 0.94 H new ATOM 0 HG3 LYS A 71 1.406 -7.991 5.247 1.00 0.94 H new ATOM 0 HD2 LYS A 71 0.449 -10.576 3.937 1.00 1.47 H new ATOM 0 HD3 LYS A 71 -0.574 -9.591 4.964 1.00 1.47 H new ATOM 0 HE2 LYS A 71 -0.005 -7.587 3.461 1.00 3.51 H new ATOM 0 HE3 LYS A 71 0.804 -8.704 2.380 1.00 3.51 H new ATOM 0 HZ1 LYS A 71 -1.591 -8.154 1.878 1.00 5.47 H new ATOM 0 HZ2 LYS A 71 -1.189 -9.804 1.903 1.00 5.47 H new ATOM 0 HZ3 LYS A 71 -2.006 -9.109 3.219 1.00 5.47 H new ATOM 1184 N THR A 72 5.494 -7.910 2.861 1.00 0.27 N ATOM 1185 CA THR A 72 6.777 -8.063 2.202 1.00 0.28 C ATOM 1186 C THR A 72 7.732 -6.943 2.634 1.00 0.36 C ATOM 1187 O THR A 72 7.287 -5.886 3.077 1.00 0.49 O ATOM 1188 CB THR A 72 6.559 -8.124 0.691 1.00 0.25 C ATOM 1189 OG1 THR A 72 5.844 -7.005 0.195 1.00 0.30 O ATOM 1190 CG2 THR A 72 5.738 -9.365 0.318 1.00 0.23 C ATOM 0 H THR A 72 4.843 -7.293 2.374 1.00 0.27 H new ATOM 0 HA THR A 72 7.252 -8.998 2.499 1.00 0.28 H new ATOM 0 HB THR A 72 7.556 -8.147 0.251 1.00 0.25 H new ATOM 0 HG1 THR A 72 5.764 -6.329 0.900 1.00 0.30 H new ATOM 0 HG21 THR A 72 5.592 -9.393 -0.762 1.00 0.23 H new ATOM 0 HG22 THR A 72 6.270 -10.262 0.636 1.00 0.23 H new ATOM 0 HG23 THR A 72 4.769 -9.323 0.814 1.00 0.23 H new ATOM 1198 N LYS A 73 9.047 -7.182 2.549 1.00 0.40 N ATOM 1199 CA LYS A 73 10.068 -6.278 3.064 1.00 0.33 C ATOM 1200 C LYS A 73 10.167 -5.033 2.211 1.00 0.48 C ATOM 1201 O LYS A 73 10.288 -5.149 0.997 1.00 0.95 O ATOM 1202 CB LYS A 73 11.442 -6.970 3.060 1.00 0.35 C ATOM 1203 CG LYS A 73 11.548 -8.108 4.074 1.00 0.90 C ATOM 1204 CD LYS A 73 11.059 -7.580 5.418 1.00 0.51 C ATOM 1205 CE LYS A 73 11.758 -8.251 6.597 1.00 0.71 C ATOM 1206 NZ LYS A 73 11.641 -7.386 7.787 1.00 2.13 N ATOM 0 H LYS A 73 9.430 -8.021 2.114 1.00 0.40 H new ATOM 0 HA LYS A 73 9.783 -6.005 4.080 1.00 0.33 H new ATOM 0 HB2 LYS A 73 11.641 -7.362 2.062 1.00 0.35 H new ATOM 0 HB3 LYS A 73 12.214 -6.231 3.272 1.00 0.35 H new ATOM 0 HG2 LYS A 73 10.947 -8.960 3.756 1.00 0.90 H new ATOM 0 HG3 LYS A 73 12.578 -8.456 4.152 1.00 0.90 H new ATOM 0 HD2 LYS A 73 11.226 -6.504 5.465 1.00 0.51 H new ATOM 0 HD3 LYS A 73 9.984 -7.739 5.498 1.00 0.51 H new ATOM 0 HE2 LYS A 73 11.310 -9.225 6.795 1.00 0.71 H new ATOM 0 HE3 LYS A 73 12.808 -8.426 6.361 1.00 0.71 H new ATOM 0 HZ1 LYS A 73 11.596 -7.976 8.642 1.00 2.13 H new ATOM 0 HZ2 LYS A 73 12.469 -6.759 7.843 1.00 2.13 H new ATOM 0 HZ3 LYS A 73 10.776 -6.813 7.716 1.00 2.13 H new ATOM 1220 N ILE A 74 10.170 -3.853 2.834 1.00 0.21 N ATOM 1221 CA ILE A 74 10.060 -2.596 2.114 1.00 0.22 C ATOM 1222 C ILE A 74 11.384 -1.847 2.114 1.00 0.22 C ATOM 1223 O ILE A 74 12.130 -1.892 3.085 1.00 0.36 O ATOM 1224 CB ILE A 74 8.899 -1.753 2.672 1.00 0.26 C ATOM 1225 CG1 ILE A 74 9.096 -1.248 4.112 1.00 0.28 C ATOM 1226 CG2 ILE A 74 7.613 -2.582 2.627 1.00 0.36 C ATOM 1227 CD1 ILE A 74 9.812 0.103 4.183 1.00 0.32 C ATOM 0 H ILE A 74 10.249 -3.748 3.846 1.00 0.21 H new ATOM 0 HA ILE A 74 9.827 -2.808 1.071 1.00 0.22 H new ATOM 0 HB ILE A 74 8.850 -0.867 2.039 1.00 0.26 H new ATOM 0 HG12 ILE A 74 8.123 -1.163 4.597 1.00 0.28 H new ATOM 0 HG13 ILE A 74 9.669 -1.986 4.674 1.00 0.28 H new ATOM 0 HG21 ILE A 74 6.786 -1.992 3.021 1.00 0.36 H new ATOM 0 HG22 ILE A 74 7.399 -2.865 1.597 1.00 0.36 H new ATOM 0 HG23 ILE A 74 7.738 -3.480 3.232 1.00 0.36 H new ATOM 0 HD11 ILE A 74 9.920 0.403 5.225 1.00 0.32 H new ATOM 0 HD12 ILE A 74 10.798 0.017 3.726 1.00 0.32 H new ATOM 0 HD13 ILE A 74 9.229 0.852 3.648 1.00 0.32 H new ATOM 1239 N TYR A 75 11.645 -1.116 1.029 1.00 0.20 N ATOM 1240 CA TYR A 75 12.810 -0.247 0.890 1.00 0.25 C ATOM 1241 C TYR A 75 12.358 1.161 0.497 1.00 0.42 C ATOM 1242 O TYR A 75 13.116 1.938 -0.078 1.00 0.89 O ATOM 1243 CB TYR A 75 13.777 -0.842 -0.148 1.00 0.35 C ATOM 1244 CG TYR A 75 15.191 -1.024 0.361 1.00 0.72 C ATOM 1245 CD1 TYR A 75 15.852 0.004 1.058 1.00 2.04 C ATOM 1246 CD2 TYR A 75 15.845 -2.247 0.144 1.00 2.05 C ATOM 1247 CE1 TYR A 75 17.146 -0.210 1.567 1.00 2.42 C ATOM 1248 CE2 TYR A 75 17.128 -2.477 0.659 1.00 2.38 C ATOM 1249 CZ TYR A 75 17.790 -1.453 1.372 1.00 1.90 C ATOM 1250 OH TYR A 75 19.050 -1.647 1.850 1.00 2.49 O ATOM 0 H TYR A 75 11.040 -1.113 0.208 1.00 0.20 H new ATOM 0 HA TYR A 75 13.338 -0.177 1.841 1.00 0.25 H new ATOM 0 HB2 TYR A 75 13.393 -1.808 -0.476 1.00 0.35 H new ATOM 0 HB3 TYR A 75 13.798 -0.193 -1.024 1.00 0.35 H new ATOM 0 HD1 TYR A 75 15.366 0.958 1.202 1.00 2.04 H new ATOM 0 HD2 TYR A 75 15.353 -3.021 -0.427 1.00 2.05 H new ATOM 0 HE1 TYR A 75 17.649 0.578 2.108 1.00 2.42 H new ATOM 0 HE2 TYR A 75 17.608 -3.433 0.511 1.00 2.38 H new ATOM 0 HH TYR A 75 19.346 -2.555 1.632 1.00 2.49 H new ATOM 1260 N HIS A 76 11.099 1.495 0.785 1.00 0.22 N ATOM 1261 CA HIS A 76 10.520 2.778 0.432 1.00 0.22 C ATOM 1262 C HIS A 76 10.324 3.550 1.724 1.00 0.20 C ATOM 1263 O HIS A 76 9.736 3.009 2.649 1.00 0.22 O ATOM 1264 CB HIS A 76 9.167 2.568 -0.252 1.00 0.28 C ATOM 1265 CG HIS A 76 9.280 2.174 -1.699 1.00 0.53 C ATOM 1266 ND1 HIS A 76 9.388 0.888 -2.201 1.00 0.76 N ATOM 1267 CD2 HIS A 76 9.233 3.046 -2.750 1.00 1.08 C ATOM 1268 CE1 HIS A 76 9.432 0.988 -3.544 1.00 1.14 C ATOM 1269 NE2 HIS A 76 9.311 2.283 -3.893 1.00 1.40 N ATOM 0 H HIS A 76 10.454 0.874 1.273 1.00 0.22 H new ATOM 0 HA HIS A 76 11.170 3.321 -0.254 1.00 0.22 H new ATOM 0 HB2 HIS A 76 8.614 1.797 0.284 1.00 0.28 H new ATOM 0 HB3 HIS A 76 8.585 3.487 -0.178 1.00 0.28 H new ATOM 0 HD2 HIS A 76 9.151 4.121 -2.695 1.00 1.08 H new ATOM 0 HE1 HIS A 76 9.546 0.162 -4.230 1.00 1.14 H new ATOM 0 HE2 HIS A 76 9.282 2.640 -4.848 1.00 1.40 H new ATOM 1278 N PRO A 77 10.716 4.825 1.782 1.00 0.19 N ATOM 1279 CA PRO A 77 10.644 5.617 3.000 1.00 0.18 C ATOM 1280 C PRO A 77 9.215 5.831 3.478 1.00 0.20 C ATOM 1281 O PRO A 77 8.982 6.190 4.627 1.00 0.20 O ATOM 1282 CB PRO A 77 11.284 6.946 2.627 1.00 0.20 C ATOM 1283 CG PRO A 77 11.030 7.069 1.125 1.00 0.21 C ATOM 1284 CD PRO A 77 11.186 5.624 0.665 1.00 0.21 C ATOM 0 HA PRO A 77 11.147 5.113 3.825 1.00 0.18 H new ATOM 0 HB2 PRO A 77 10.836 7.773 3.177 1.00 0.20 H new ATOM 0 HB3 PRO A 77 12.350 6.953 2.854 1.00 0.20 H new ATOM 0 HG2 PRO A 77 10.037 7.462 0.909 1.00 0.21 H new ATOM 0 HG3 PRO A 77 11.747 7.732 0.642 1.00 0.21 H new ATOM 0 HD2 PRO A 77 10.601 5.430 -0.234 1.00 0.21 H new ATOM 0 HD3 PRO A 77 12.224 5.396 0.425 1.00 0.21 H new ATOM 1292 N ASN A 78 8.244 5.668 2.584 1.00 0.26 N ATOM 1293 CA ASN A 78 6.849 5.951 2.873 1.00 0.28 C ATOM 1294 C ASN A 78 6.277 4.949 3.880 1.00 0.19 C ATOM 1295 O ASN A 78 5.224 5.198 4.467 1.00 0.24 O ATOM 1296 CB ASN A 78 6.038 5.909 1.576 1.00 0.46 C ATOM 1297 CG ASN A 78 6.790 6.481 0.378 1.00 1.13 C ATOM 1298 OD1 ASN A 78 7.133 7.655 0.324 1.00 1.14 O ATOM 1299 ND2 ASN A 78 7.058 5.632 -0.605 1.00 2.77 N ATOM 0 H ASN A 78 8.408 5.334 1.634 1.00 0.26 H new ATOM 0 HA ASN A 78 6.784 6.946 3.314 1.00 0.28 H new ATOM 0 HB2 ASN A 78 5.759 4.877 1.363 1.00 0.46 H new ATOM 0 HB3 ASN A 78 5.112 6.467 1.716 1.00 0.46 H new ATOM 0 HD21 ASN A 78 7.562 5.952 -1.432 1.00 2.77 H new ATOM 0 HD22 ASN A 78 6.760 4.659 -0.534 1.00 2.77 H new ATOM 1306 N ILE A 79 6.936 3.796 4.036 1.00 0.17 N ATOM 1307 CA ILE A 79 6.532 2.687 4.881 1.00 0.17 C ATOM 1308 C ILE A 79 7.716 2.413 5.826 1.00 0.19 C ATOM 1309 O ILE A 79 8.815 2.922 5.605 1.00 0.22 O ATOM 1310 CB ILE A 79 6.154 1.498 3.965 1.00 0.18 C ATOM 1311 CG1 ILE A 79 5.189 1.933 2.845 1.00 0.20 C ATOM 1312 CG2 ILE A 79 5.518 0.317 4.717 1.00 0.20 C ATOM 1313 CD1 ILE A 79 5.834 1.859 1.456 1.00 0.37 C ATOM 0 H ILE A 79 7.811 3.610 3.546 1.00 0.17 H new ATOM 0 HA ILE A 79 5.653 2.886 5.494 1.00 0.17 H new ATOM 0 HB ILE A 79 7.101 1.162 3.543 1.00 0.18 H new ATOM 0 HG12 ILE A 79 4.303 1.298 2.866 1.00 0.20 H new ATOM 0 HG13 ILE A 79 4.854 2.953 3.033 1.00 0.20 H new ATOM 0 HG21 ILE A 79 5.280 -0.478 4.011 1.00 0.20 H new ATOM 0 HG22 ILE A 79 6.218 -0.058 5.464 1.00 0.20 H new ATOM 0 HG23 ILE A 79 4.605 0.649 5.211 1.00 0.20 H new ATOM 0 HD11 ILE A 79 5.113 2.176 0.703 1.00 0.37 H new ATOM 0 HD12 ILE A 79 6.704 2.515 1.424 1.00 0.37 H new ATOM 0 HD13 ILE A 79 6.144 0.834 1.253 1.00 0.37 H new ATOM 1325 N ASP A 80 7.506 1.642 6.890 1.00 0.23 N ATOM 1326 CA ASP A 80 8.521 1.267 7.861 1.00 0.28 C ATOM 1327 C ASP A 80 8.894 -0.194 7.641 1.00 0.29 C ATOM 1328 O ASP A 80 8.127 -0.943 7.040 1.00 0.31 O ATOM 1329 CB ASP A 80 7.945 1.417 9.269 1.00 0.31 C ATOM 1330 CG ASP A 80 8.935 0.924 10.316 1.00 0.44 C ATOM 1331 OD1 ASP A 80 8.544 0.015 11.085 1.00 1.94 O ATOM 1332 OD2 ASP A 80 10.099 1.377 10.252 1.00 2.10 O ATOM 0 H ASP A 80 6.590 1.249 7.104 1.00 0.23 H new ATOM 0 HA ASP A 80 9.398 1.904 7.746 1.00 0.28 H new ATOM 0 HB2 ASP A 80 7.701 2.463 9.457 1.00 0.31 H new ATOM 0 HB3 ASP A 80 7.015 0.854 9.348 1.00 0.31 H new ATOM 1337 N GLU A 81 10.038 -0.621 8.176 1.00 0.32 N ATOM 1338 CA GLU A 81 10.469 -2.015 8.130 1.00 0.39 C ATOM 1339 C GLU A 81 9.378 -2.980 8.575 1.00 0.36 C ATOM 1340 O GLU A 81 9.179 -4.037 7.976 1.00 0.44 O ATOM 1341 CB GLU A 81 11.726 -2.223 8.982 1.00 0.50 C ATOM 1342 CG GLU A 81 12.872 -2.782 8.131 1.00 1.43 C ATOM 1343 CD GLU A 81 12.622 -4.248 7.758 1.00 3.45 C ATOM 1344 OE1 GLU A 81 12.880 -5.131 8.607 1.00 4.67 O ATOM 1345 OE2 GLU A 81 12.137 -4.533 6.641 1.00 4.59 O ATOM 0 H GLU A 81 10.694 -0.005 8.656 1.00 0.32 H new ATOM 0 HA GLU A 81 10.696 -2.235 7.087 1.00 0.39 H new ATOM 0 HB2 GLU A 81 12.028 -1.277 9.431 1.00 0.50 H new ATOM 0 HB3 GLU A 81 11.507 -2.908 9.801 1.00 0.50 H new ATOM 0 HG2 GLU A 81 12.979 -2.187 7.224 1.00 1.43 H new ATOM 0 HG3 GLU A 81 13.810 -2.699 8.680 1.00 1.43 H new ATOM 1352 N LYS A 82 8.634 -2.623 9.618 1.00 0.30 N ATOM 1353 CA LYS A 82 7.568 -3.474 10.123 1.00 0.30 C ATOM 1354 C LYS A 82 6.291 -3.289 9.302 1.00 0.32 C ATOM 1355 O LYS A 82 5.193 -3.433 9.834 1.00 0.42 O ATOM 1356 CB LYS A 82 7.354 -3.127 11.595 1.00 0.29 C ATOM 1357 CG LYS A 82 8.601 -3.476 12.419 1.00 0.96 C ATOM 1358 CD LYS A 82 8.500 -2.946 13.850 1.00 1.08 C ATOM 1359 CE LYS A 82 7.921 -4.008 14.793 1.00 1.66 C ATOM 1360 NZ LYS A 82 7.828 -3.514 16.185 1.00 2.52 N ATOM 0 H LYS A 82 8.752 -1.748 10.129 1.00 0.30 H new ATOM 0 HA LYS A 82 7.841 -4.525 10.033 1.00 0.30 H new ATOM 0 HB2 LYS A 82 7.131 -2.065 11.695 1.00 0.29 H new ATOM 0 HB3 LYS A 82 6.492 -3.671 11.981 1.00 0.29 H new ATOM 0 HG2 LYS A 82 8.732 -4.558 12.440 1.00 0.96 H new ATOM 0 HG3 LYS A 82 9.484 -3.057 11.937 1.00 0.96 H new ATOM 0 HD2 LYS A 82 9.487 -2.644 14.200 1.00 1.08 H new ATOM 0 HD3 LYS A 82 7.870 -2.057 13.868 1.00 1.08 H new ATOM 0 HE2 LYS A 82 6.931 -4.303 14.445 1.00 1.66 H new ATOM 0 HE3 LYS A 82 8.547 -4.900 14.765 1.00 1.66 H new ATOM 0 HZ1 LYS A 82 7.432 -4.260 16.792 1.00 2.52 H new ATOM 0 HZ2 LYS A 82 8.776 -3.257 16.526 1.00 2.52 H new ATOM 0 HZ3 LYS A 82 7.210 -2.678 16.216 1.00 2.52 H new ATOM 1374 N GLY A 83 6.405 -2.915 8.027 1.00 0.32 N ATOM 1375 CA GLY A 83 5.306 -2.730 7.105 1.00 0.31 C ATOM 1376 C GLY A 83 4.410 -1.539 7.426 1.00 0.21 C ATOM 1377 O GLY A 83 3.523 -1.246 6.629 1.00 0.17 O ATOM 0 H GLY A 83 7.311 -2.727 7.599 1.00 0.32 H new ATOM 0 HA2 GLY A 83 5.708 -2.606 6.099 1.00 0.31 H new ATOM 0 HA3 GLY A 83 4.698 -3.635 7.096 1.00 0.31 H new ATOM 1381 N GLN A 84 4.572 -0.879 8.575 1.00 0.23 N ATOM 1382 CA GLN A 84 3.655 0.167 8.989 1.00 0.20 C ATOM 1383 C GLN A 84 3.730 1.358 8.046 1.00 0.16 C ATOM 1384 O GLN A 84 4.754 1.618 7.430 1.00 0.21 O ATOM 1385 CB GLN A 84 3.975 0.631 10.410 1.00 0.26 C ATOM 1386 CG GLN A 84 3.502 -0.392 11.446 1.00 0.62 C ATOM 1387 CD GLN A 84 3.340 0.269 12.809 1.00 1.15 C ATOM 1388 OE1 GLN A 84 2.221 0.429 13.295 1.00 1.60 O ATOM 1389 NE2 GLN A 84 4.435 0.698 13.423 1.00 1.56 N ATOM 0 H GLN A 84 5.333 -1.056 9.231 1.00 0.23 H new ATOM 0 HA GLN A 84 2.647 -0.247 8.962 1.00 0.20 H new ATOM 0 HB2 GLN A 84 5.049 0.785 10.512 1.00 0.26 H new ATOM 0 HB3 GLN A 84 3.496 1.592 10.598 1.00 0.26 H new ATOM 0 HG2 GLN A 84 2.554 -0.827 11.130 1.00 0.62 H new ATOM 0 HG3 GLN A 84 4.220 -1.209 11.514 1.00 0.62 H new ATOM 0 HE21 GLN A 84 5.350 0.551 12.996 1.00 1.56 H new ATOM 0 HE22 GLN A 84 4.362 1.174 14.322 1.00 1.56 H new ATOM 1398 N VAL A 85 2.645 2.116 7.971 1.00 0.17 N ATOM 1399 CA VAL A 85 2.526 3.235 7.053 1.00 0.16 C ATOM 1400 C VAL A 85 2.201 4.507 7.831 1.00 0.20 C ATOM 1401 O VAL A 85 1.602 4.435 8.903 1.00 0.24 O ATOM 1402 CB VAL A 85 1.435 2.897 6.036 1.00 0.16 C ATOM 1403 CG1 VAL A 85 1.840 1.694 5.179 1.00 0.17 C ATOM 1404 CG2 VAL A 85 0.106 2.619 6.738 1.00 0.21 C ATOM 0 H VAL A 85 1.818 1.969 8.550 1.00 0.17 H new ATOM 0 HA VAL A 85 3.463 3.410 6.524 1.00 0.16 H new ATOM 0 HB VAL A 85 1.310 3.760 5.383 1.00 0.16 H new ATOM 0 HG11 VAL A 85 1.048 1.474 4.464 1.00 0.17 H new ATOM 0 HG12 VAL A 85 2.760 1.923 4.642 1.00 0.17 H new ATOM 0 HG13 VAL A 85 2.001 0.828 5.821 1.00 0.17 H new ATOM 0 HG21 VAL A 85 -0.655 2.381 5.995 1.00 0.21 H new ATOM 0 HG22 VAL A 85 0.224 1.777 7.420 1.00 0.21 H new ATOM 0 HG23 VAL A 85 -0.200 3.501 7.301 1.00 0.21 H new ATOM 1414 N CYS A 86 2.569 5.675 7.298 1.00 0.20 N ATOM 1415 CA CYS A 86 2.114 6.945 7.841 1.00 0.22 C ATOM 1416 C CYS A 86 1.861 7.909 6.683 1.00 0.21 C ATOM 1417 O CYS A 86 2.742 8.691 6.335 1.00 0.27 O ATOM 1418 CB CYS A 86 3.147 7.495 8.832 1.00 0.27 C ATOM 1419 SG CYS A 86 2.363 8.728 9.905 1.00 0.39 S ATOM 0 H CYS A 86 3.183 5.761 6.488 1.00 0.20 H new ATOM 0 HA CYS A 86 1.183 6.813 8.391 1.00 0.22 H new ATOM 0 HB2 CYS A 86 3.557 6.684 9.433 1.00 0.27 H new ATOM 0 HB3 CYS A 86 3.980 7.945 8.292 1.00 0.27 H new ATOM 0 HG CYS A 86 3.239 9.192 10.746 1.00 0.39 H new ATOM 1425 N LEU A 87 0.686 7.836 6.050 1.00 0.18 N ATOM 1426 CA LEU A 87 0.319 8.711 4.944 1.00 0.17 C ATOM 1427 C LEU A 87 -0.868 9.560 5.382 1.00 0.19 C ATOM 1428 O LEU A 87 -1.693 9.091 6.168 1.00 0.19 O ATOM 1429 CB LEU A 87 -0.083 7.897 3.702 1.00 0.16 C ATOM 1430 CG LEU A 87 0.999 7.024 3.056 1.00 0.15 C ATOM 1431 CD1 LEU A 87 2.346 7.732 2.951 1.00 0.17 C ATOM 1432 CD2 LEU A 87 1.185 5.689 3.769 1.00 0.15 C ATOM 0 H LEU A 87 -0.039 7.162 6.296 1.00 0.18 H new ATOM 0 HA LEU A 87 1.176 9.333 4.684 1.00 0.17 H new ATOM 0 HB2 LEU A 87 -0.918 7.252 3.976 1.00 0.16 H new ATOM 0 HB3 LEU A 87 -0.451 8.592 2.947 1.00 0.16 H new ATOM 0 HG LEU A 87 0.631 6.830 2.048 1.00 0.15 H new ATOM 0 HD11 LEU A 87 3.072 7.065 2.486 1.00 0.17 H new ATOM 0 HD12 LEU A 87 2.238 8.631 2.344 1.00 0.17 H new ATOM 0 HD13 LEU A 87 2.692 8.006 3.948 1.00 0.17 H new ATOM 0 HD21 LEU A 87 1.963 5.114 3.267 1.00 0.15 H new ATOM 0 HD22 LEU A 87 1.475 5.867 4.804 1.00 0.15 H new ATOM 0 HD23 LEU A 87 0.249 5.131 3.746 1.00 0.15 H new ATOM 1444 N PRO A 88 -1.023 10.776 4.838 1.00 0.21 N ATOM 1445 CA PRO A 88 -2.091 11.680 5.230 1.00 0.23 C ATOM 1446 C PRO A 88 -3.484 11.109 4.948 1.00 0.27 C ATOM 1447 O PRO A 88 -4.444 11.496 5.599 1.00 0.42 O ATOM 1448 CB PRO A 88 -1.821 13.000 4.507 1.00 0.28 C ATOM 1449 CG PRO A 88 -0.945 12.592 3.322 1.00 0.26 C ATOM 1450 CD PRO A 88 -0.146 11.411 3.870 1.00 0.22 C ATOM 0 HA PRO A 88 -2.093 11.833 6.309 1.00 0.23 H new ATOM 0 HB2 PRO A 88 -2.746 13.472 4.177 1.00 0.28 H new ATOM 0 HB3 PRO A 88 -1.312 13.714 5.154 1.00 0.28 H new ATOM 0 HG2 PRO A 88 -1.544 12.306 2.458 1.00 0.26 H new ATOM 0 HG3 PRO A 88 -0.294 13.406 3.003 1.00 0.26 H new ATOM 0 HD2 PRO A 88 0.130 10.719 3.074 1.00 0.22 H new ATOM 0 HD3 PRO A 88 0.780 11.745 4.337 1.00 0.22 H new ATOM 1458 N VAL A 89 -3.619 10.153 4.029 1.00 0.22 N ATOM 1459 CA VAL A 89 -4.908 9.521 3.743 1.00 0.23 C ATOM 1460 C VAL A 89 -5.492 8.838 4.984 1.00 0.25 C ATOM 1461 O VAL A 89 -6.707 8.712 5.100 1.00 0.30 O ATOM 1462 CB VAL A 89 -4.802 8.556 2.544 1.00 0.22 C ATOM 1463 CG1 VAL A 89 -4.586 9.362 1.259 1.00 0.22 C ATOM 1464 CG2 VAL A 89 -3.647 7.559 2.698 1.00 0.19 C ATOM 0 H VAL A 89 -2.846 9.797 3.466 1.00 0.22 H new ATOM 0 HA VAL A 89 -5.607 10.308 3.462 1.00 0.23 H new ATOM 0 HB VAL A 89 -5.733 7.991 2.500 1.00 0.22 H new ATOM 0 HG11 VAL A 89 -4.511 8.681 0.411 1.00 0.22 H new ATOM 0 HG12 VAL A 89 -5.427 10.038 1.108 1.00 0.22 H new ATOM 0 HG13 VAL A 89 -3.666 9.940 1.343 1.00 0.22 H new ATOM 0 HG21 VAL A 89 -3.615 6.902 1.829 1.00 0.19 H new ATOM 0 HG22 VAL A 89 -2.705 8.102 2.777 1.00 0.19 H new ATOM 0 HG23 VAL A 89 -3.799 6.963 3.598 1.00 0.19 H new ATOM 1474 N ILE A 90 -4.645 8.387 5.912 1.00 0.23 N ATOM 1475 CA ILE A 90 -5.067 7.696 7.127 1.00 0.23 C ATOM 1476 C ILE A 90 -4.409 8.305 8.368 1.00 0.24 C ATOM 1477 O ILE A 90 -4.383 7.691 9.432 1.00 0.26 O ATOM 1478 CB ILE A 90 -4.770 6.198 6.981 1.00 0.21 C ATOM 1479 CG1 ILE A 90 -3.264 5.964 6.759 1.00 0.20 C ATOM 1480 CG2 ILE A 90 -5.606 5.651 5.814 1.00 0.21 C ATOM 1481 CD1 ILE A 90 -2.935 4.491 6.555 1.00 0.21 C ATOM 0 H ILE A 90 -3.633 8.494 5.837 1.00 0.23 H new ATOM 0 HA ILE A 90 -6.141 7.820 7.264 1.00 0.23 H new ATOM 0 HB ILE A 90 -5.041 5.669 7.895 1.00 0.21 H new ATOM 0 HG12 ILE A 90 -2.934 6.532 5.889 1.00 0.20 H new ATOM 0 HG13 ILE A 90 -2.709 6.343 7.617 1.00 0.20 H new ATOM 0 HG21 ILE A 90 -5.409 4.586 5.693 1.00 0.21 H new ATOM 0 HG22 ILE A 90 -6.665 5.803 6.022 1.00 0.21 H new ATOM 0 HG23 ILE A 90 -5.338 6.176 4.897 1.00 0.21 H new ATOM 0 HD11 ILE A 90 -1.862 4.376 6.402 1.00 0.21 H new ATOM 0 HD12 ILE A 90 -3.239 3.925 7.435 1.00 0.21 H new ATOM 0 HD13 ILE A 90 -3.468 4.117 5.681 1.00 0.21 H new ATOM 1493 N SER A 91 -3.871 9.514 8.239 1.00 0.26 N ATOM 1494 CA SER A 91 -3.268 10.221 9.354 1.00 0.28 C ATOM 1495 C SER A 91 -4.368 10.615 10.338 1.00 0.33 C ATOM 1496 O SER A 91 -5.477 10.941 9.922 1.00 0.40 O ATOM 1497 CB SER A 91 -2.546 11.432 8.773 1.00 0.31 C ATOM 1498 OG SER A 91 -2.289 12.437 9.729 1.00 0.47 O ATOM 0 H SER A 91 -3.843 10.027 7.358 1.00 0.26 H new ATOM 0 HA SER A 91 -2.551 9.609 9.901 1.00 0.28 H new ATOM 0 HB2 SER A 91 -1.603 11.108 8.333 1.00 0.31 H new ATOM 0 HB3 SER A 91 -3.146 11.852 7.966 1.00 0.31 H new ATOM 0 HG SER A 91 -2.262 13.311 9.286 1.00 0.47 H new ATOM 1504 N ALA A 92 -4.075 10.613 11.641 1.00 0.35 N ATOM 1505 CA ALA A 92 -5.052 10.975 12.662 1.00 0.42 C ATOM 1506 C ALA A 92 -5.519 12.419 12.469 1.00 0.48 C ATOM 1507 O ALA A 92 -6.715 12.684 12.400 1.00 0.47 O ATOM 1508 CB ALA A 92 -4.453 10.767 14.055 1.00 0.49 C ATOM 0 H ALA A 92 -3.159 10.362 12.013 1.00 0.35 H new ATOM 0 HA ALA A 92 -5.924 10.329 12.565 1.00 0.42 H new ATOM 0 HB1 ALA A 92 -5.189 11.040 14.812 1.00 0.49 H new ATOM 0 HB2 ALA A 92 -4.175 9.720 14.179 1.00 0.49 H new ATOM 0 HB3 ALA A 92 -3.568 11.393 14.168 1.00 0.49 H new ATOM 1514 N GLU A 93 -4.579 13.358 12.337 1.00 0.58 N ATOM 1515 CA GLU A 93 -4.892 14.766 12.095 1.00 0.66 C ATOM 1516 C GLU A 93 -5.528 14.987 10.722 1.00 0.64 C ATOM 1517 O GLU A 93 -5.965 16.091 10.403 1.00 0.82 O ATOM 1518 CB GLU A 93 -3.616 15.607 12.220 1.00 0.86 C ATOM 1519 CG GLU A 93 -3.348 15.947 13.686 1.00 1.36 C ATOM 1520 CD GLU A 93 -2.063 16.762 13.823 1.00 1.66 C ATOM 1521 OE1 GLU A 93 -2.113 17.967 13.490 1.00 2.38 O ATOM 1522 OE2 GLU A 93 -1.049 16.162 14.242 1.00 2.68 O ATOM 0 H GLU A 93 -3.580 13.162 12.395 1.00 0.58 H new ATOM 0 HA GLU A 93 -5.619 15.077 12.845 1.00 0.66 H new ATOM 0 HB2 GLU A 93 -2.769 15.060 11.806 1.00 0.86 H new ATOM 0 HB3 GLU A 93 -3.718 16.524 11.639 1.00 0.86 H new ATOM 0 HG2 GLU A 93 -4.187 16.510 14.094 1.00 1.36 H new ATOM 0 HG3 GLU A 93 -3.267 15.029 14.269 1.00 1.36 H new ATOM 1529 N ASN A 94 -5.566 13.965 9.867 1.00 0.58 N ATOM 1530 CA ASN A 94 -6.186 14.074 8.560 1.00 0.58 C ATOM 1531 C ASN A 94 -7.271 13.013 8.401 1.00 0.50 C ATOM 1532 O ASN A 94 -7.654 12.689 7.280 1.00 0.55 O ATOM 1533 CB ASN A 94 -5.120 13.939 7.476 1.00 0.68 C ATOM 1534 CG ASN A 94 -3.846 14.744 7.723 1.00 1.51 C ATOM 1535 OD1 ASN A 94 -2.743 14.250 7.512 1.00 3.27 O ATOM 1536 ND2 ASN A 94 -3.950 15.974 8.206 1.00 0.93 N ATOM 0 H ASN A 94 -5.169 13.047 10.065 1.00 0.58 H new ATOM 0 HA ASN A 94 -6.658 15.052 8.462 1.00 0.58 H new ATOM 0 HB2 ASN A 94 -4.854 12.887 7.378 1.00 0.68 H new ATOM 0 HB3 ASN A 94 -5.550 14.250 6.524 1.00 0.68 H new ATOM 0 HD21 ASN A 94 -3.109 16.517 8.405 1.00 0.93 H new ATOM 0 HD22 ASN A 94 -4.871 16.378 8.379 1.00 0.93 H new ATOM 1543 N TRP A 95 -7.781 12.481 9.513 1.00 0.43 N ATOM 1544 CA TRP A 95 -8.809 11.459 9.509 1.00 0.39 C ATOM 1545 C TRP A 95 -10.032 12.022 8.800 1.00 0.37 C ATOM 1546 O TRP A 95 -10.738 12.882 9.324 1.00 0.43 O ATOM 1547 CB TRP A 95 -9.127 11.030 10.946 1.00 0.40 C ATOM 1548 CG TRP A 95 -10.485 10.437 11.183 1.00 0.38 C ATOM 1549 CD1 TRP A 95 -11.017 9.344 10.586 1.00 0.35 C ATOM 1550 CD2 TRP A 95 -11.525 10.959 12.061 1.00 0.50 C ATOM 1551 NE1 TRP A 95 -12.308 9.149 11.046 1.00 0.34 N ATOM 1552 CE2 TRP A 95 -12.676 10.127 11.950 1.00 0.44 C ATOM 1553 CE3 TRP A 95 -11.609 12.066 12.933 1.00 0.72 C ATOM 1554 CZ2 TRP A 95 -13.850 10.388 12.674 1.00 0.55 C ATOM 1555 CZ3 TRP A 95 -12.779 12.330 13.668 1.00 0.87 C ATOM 1556 CH2 TRP A 95 -13.899 11.492 13.539 1.00 0.77 C ATOM 0 H TRP A 95 -7.483 12.756 10.449 1.00 0.43 H new ATOM 0 HA TRP A 95 -8.471 10.569 8.978 1.00 0.39 H new ATOM 0 HB2 TRP A 95 -8.378 10.303 11.258 1.00 0.40 H new ATOM 0 HB3 TRP A 95 -9.017 11.900 11.594 1.00 0.40 H new ATOM 0 HD1 TRP A 95 -10.512 8.721 9.863 1.00 0.35 H new ATOM 0 HE1 TRP A 95 -12.912 8.380 10.754 1.00 0.34 H new ATOM 0 HE3 TRP A 95 -10.758 12.723 13.038 1.00 0.72 H new ATOM 0 HZ2 TRP A 95 -14.710 9.743 12.566 1.00 0.55 H new ATOM 0 HZ3 TRP A 95 -12.816 13.180 14.334 1.00 0.87 H new ATOM 0 HH2 TRP A 95 -14.796 11.697 14.104 1.00 0.77 H new ATOM 1567 N LYS A 96 -10.273 11.550 7.579 1.00 0.41 N ATOM 1568 CA LYS A 96 -11.430 11.943 6.803 1.00 0.45 C ATOM 1569 C LYS A 96 -12.311 10.710 6.734 1.00 0.42 C ATOM 1570 O LYS A 96 -11.917 9.744 6.094 1.00 0.41 O ATOM 1571 CB LYS A 96 -10.995 12.420 5.404 1.00 0.53 C ATOM 1572 CG LYS A 96 -10.946 13.951 5.305 1.00 0.68 C ATOM 1573 CD LYS A 96 -9.880 14.580 6.209 1.00 0.91 C ATOM 1574 CE LYS A 96 -10.077 16.091 6.342 1.00 1.39 C ATOM 1575 NZ LYS A 96 -9.812 16.808 5.077 1.00 2.09 N ATOM 0 H LYS A 96 -9.665 10.882 7.105 1.00 0.41 H new ATOM 0 HA LYS A 96 -11.969 12.777 7.252 1.00 0.45 H new ATOM 0 HB2 LYS A 96 -10.012 12.011 5.171 1.00 0.53 H new ATOM 0 HB3 LYS A 96 -11.687 12.031 4.657 1.00 0.53 H new ATOM 0 HG2 LYS A 96 -10.751 14.236 4.271 1.00 0.68 H new ATOM 0 HG3 LYS A 96 -11.923 14.357 5.569 1.00 0.68 H new ATOM 0 HD2 LYS A 96 -9.920 14.119 7.196 1.00 0.91 H new ATOM 0 HD3 LYS A 96 -8.890 14.376 5.802 1.00 0.91 H new ATOM 0 HE2 LYS A 96 -11.098 16.294 6.665 1.00 1.39 H new ATOM 0 HE3 LYS A 96 -9.415 16.474 7.119 1.00 1.39 H new ATOM 0 HZ1 LYS A 96 -9.959 17.828 5.219 1.00 2.09 H new ATOM 0 HZ2 LYS A 96 -8.830 16.638 4.781 1.00 2.09 H new ATOM 0 HZ3 LYS A 96 -10.461 16.464 4.340 1.00 2.09 H new ATOM 1589 N PRO A 97 -13.514 10.721 7.319 1.00 0.43 N ATOM 1590 CA PRO A 97 -14.445 9.612 7.181 1.00 0.44 C ATOM 1591 C PRO A 97 -14.998 9.503 5.754 1.00 0.50 C ATOM 1592 O PRO A 97 -15.648 8.519 5.413 1.00 0.64 O ATOM 1593 CB PRO A 97 -15.528 9.872 8.231 1.00 0.47 C ATOM 1594 CG PRO A 97 -15.520 11.391 8.391 1.00 0.51 C ATOM 1595 CD PRO A 97 -14.053 11.760 8.179 1.00 0.47 C ATOM 0 HA PRO A 97 -13.966 8.647 7.348 1.00 0.44 H new ATOM 0 HB2 PRO A 97 -16.501 9.509 7.901 1.00 0.47 H new ATOM 0 HB3 PRO A 97 -15.303 9.369 9.171 1.00 0.47 H new ATOM 0 HG2 PRO A 97 -16.166 11.876 7.659 1.00 0.51 H new ATOM 0 HG3 PRO A 97 -15.872 11.693 9.377 1.00 0.51 H new ATOM 0 HD2 PRO A 97 -13.958 12.742 7.716 1.00 0.47 H new ATOM 0 HD3 PRO A 97 -13.517 11.802 9.127 1.00 0.47 H new ATOM 1603 N ALA A 98 -14.734 10.492 4.896 1.00 0.54 N ATOM 1604 CA ALA A 98 -15.026 10.402 3.474 1.00 0.58 C ATOM 1605 C ALA A 98 -13.940 9.637 2.703 1.00 0.63 C ATOM 1606 O ALA A 98 -14.169 9.260 1.556 1.00 0.76 O ATOM 1607 CB ALA A 98 -15.171 11.818 2.921 1.00 0.61 C ATOM 0 H ALA A 98 -14.311 11.377 5.175 1.00 0.54 H new ATOM 0 HA ALA A 98 -15.952 9.842 3.345 1.00 0.58 H new ATOM 0 HB1 ALA A 98 -15.390 11.771 1.854 1.00 0.61 H new ATOM 0 HB2 ALA A 98 -15.984 12.329 3.437 1.00 0.61 H new ATOM 0 HB3 ALA A 98 -14.242 12.366 3.077 1.00 0.61 H new ATOM 1613 N THR A 99 -12.753 9.439 3.286 1.00 0.57 N ATOM 1614 CA THR A 99 -11.705 8.652 2.654 1.00 0.58 C ATOM 1615 C THR A 99 -12.114 7.184 2.693 1.00 0.61 C ATOM 1616 O THR A 99 -12.893 6.777 3.551 1.00 0.77 O ATOM 1617 CB THR A 99 -10.348 8.896 3.338 1.00 0.60 C ATOM 1618 OG1 THR A 99 -9.321 8.818 2.378 1.00 0.65 O ATOM 1619 CG2 THR A 99 -10.012 7.883 4.436 1.00 0.60 C ATOM 0 H THR A 99 -12.500 9.818 4.199 1.00 0.57 H new ATOM 0 HA THR A 99 -11.582 8.955 1.614 1.00 0.58 H new ATOM 0 HB THR A 99 -10.424 9.881 3.798 1.00 0.60 H new ATOM 0 HG1 THR A 99 -9.553 9.373 1.605 1.00 0.65 H new ATOM 0 HG21 THR A 99 -9.041 8.124 4.868 1.00 0.60 H new ATOM 0 HG22 THR A 99 -10.775 7.922 5.213 1.00 0.60 H new ATOM 0 HG23 THR A 99 -9.981 6.881 4.009 1.00 0.60 H new ATOM 1627 N LYS A 100 -11.589 6.384 1.770 1.00 0.50 N ATOM 1628 CA LYS A 100 -12.030 5.020 1.527 1.00 0.38 C ATOM 1629 C LYS A 100 -10.836 4.228 1.006 1.00 0.25 C ATOM 1630 O LYS A 100 -9.750 4.782 0.828 1.00 0.22 O ATOM 1631 CB LYS A 100 -13.158 5.067 0.494 1.00 0.66 C ATOM 1632 CG LYS A 100 -14.546 5.281 1.108 1.00 1.64 C ATOM 1633 CD LYS A 100 -15.383 6.089 0.115 1.00 1.75 C ATOM 1634 CE LYS A 100 -16.854 5.700 0.213 1.00 2.34 C ATOM 1635 NZ LYS A 100 -17.480 5.778 -1.122 1.00 2.70 N ATOM 0 H LYS A 100 -10.827 6.676 1.157 1.00 0.50 H new ATOM 0 HA LYS A 100 -12.402 4.541 2.433 1.00 0.38 H new ATOM 0 HB2 LYS A 100 -12.956 5.870 -0.215 1.00 0.66 H new ATOM 0 HB3 LYS A 100 -13.160 4.135 -0.072 1.00 0.66 H new ATOM 0 HG2 LYS A 100 -15.022 4.323 1.317 1.00 1.64 H new ATOM 0 HG3 LYS A 100 -14.465 5.810 2.057 1.00 1.64 H new ATOM 0 HD2 LYS A 100 -15.269 7.154 0.317 1.00 1.75 H new ATOM 0 HD3 LYS A 100 -15.022 5.916 -0.899 1.00 1.75 H new ATOM 0 HE2 LYS A 100 -16.947 4.689 0.610 1.00 2.34 H new ATOM 0 HE3 LYS A 100 -17.370 6.364 0.907 1.00 2.34 H new ATOM 0 HZ1 LYS A 100 -18.511 5.679 -1.028 1.00 2.70 H new ATOM 0 HZ2 LYS A 100 -17.258 6.697 -1.556 1.00 2.70 H new ATOM 0 HZ3 LYS A 100 -17.112 5.013 -1.723 1.00 2.70 H new ATOM 1649 N THR A 101 -11.005 2.929 0.774 1.00 0.28 N ATOM 1650 CA THR A 101 -9.907 2.088 0.330 1.00 0.27 C ATOM 1651 C THR A 101 -9.342 2.518 -1.012 1.00 0.23 C ATOM 1652 O THR A 101 -8.169 2.270 -1.256 1.00 0.26 O ATOM 1653 CB THR A 101 -10.342 0.635 0.207 1.00 0.31 C ATOM 1654 OG1 THR A 101 -11.724 0.576 -0.078 1.00 0.46 O ATOM 1655 CG2 THR A 101 -10.071 -0.138 1.488 1.00 0.33 C ATOM 0 H THR A 101 -11.893 2.440 0.887 1.00 0.28 H new ATOM 0 HA THR A 101 -9.134 2.195 1.091 1.00 0.27 H new ATOM 0 HB THR A 101 -9.766 0.182 -0.600 1.00 0.31 H new ATOM 0 HG1 THR A 101 -11.979 -0.350 -0.272 1.00 0.46 H new ATOM 0 HG21 THR A 101 -10.394 -1.172 1.364 1.00 0.33 H new ATOM 0 HG22 THR A 101 -9.004 -0.115 1.708 1.00 0.33 H new ATOM 0 HG23 THR A 101 -10.621 0.318 2.311 1.00 0.33 H new ATOM 1663 N ASP A 102 -10.131 3.138 -1.885 1.00 0.23 N ATOM 1664 CA ASP A 102 -9.608 3.698 -3.123 1.00 0.23 C ATOM 1665 C ASP A 102 -8.513 4.709 -2.792 1.00 0.23 C ATOM 1666 O ASP A 102 -7.423 4.644 -3.355 1.00 0.29 O ATOM 1667 CB ASP A 102 -10.742 4.307 -3.959 1.00 0.29 C ATOM 1668 CG ASP A 102 -11.312 5.562 -3.302 1.00 1.08 C ATOM 1669 OD1 ASP A 102 -11.666 5.433 -2.109 1.00 2.29 O ATOM 1670 OD2 ASP A 102 -11.308 6.638 -3.935 1.00 1.83 O ATOM 0 H ASP A 102 -11.135 3.264 -1.756 1.00 0.23 H new ATOM 0 HA ASP A 102 -9.164 2.911 -3.733 1.00 0.23 H new ATOM 0 HB2 ASP A 102 -10.370 4.553 -4.954 1.00 0.29 H new ATOM 0 HB3 ASP A 102 -11.535 3.571 -4.088 1.00 0.29 H new ATOM 1675 N GLN A 103 -8.771 5.597 -1.832 1.00 0.22 N ATOM 1676 CA GLN A 103 -7.842 6.632 -1.410 1.00 0.24 C ATOM 1677 C GLN A 103 -6.640 6.030 -0.703 1.00 0.22 C ATOM 1678 O GLN A 103 -5.532 6.552 -0.835 1.00 0.25 O ATOM 1679 CB GLN A 103 -8.553 7.684 -0.557 1.00 0.27 C ATOM 1680 CG GLN A 103 -9.800 8.157 -1.316 1.00 0.28 C ATOM 1681 CD GLN A 103 -10.428 9.433 -0.773 1.00 0.43 C ATOM 1682 OE1 GLN A 103 -9.828 10.194 -0.019 1.00 0.96 O ATOM 1683 NE2 GLN A 103 -11.689 9.658 -1.111 1.00 1.46 N ATOM 0 H GLN A 103 -9.652 5.613 -1.318 1.00 0.22 H new ATOM 0 HA GLN A 103 -7.464 7.141 -2.297 1.00 0.24 H new ATOM 0 HB2 GLN A 103 -8.833 7.264 0.409 1.00 0.27 H new ATOM 0 HB3 GLN A 103 -7.888 8.524 -0.358 1.00 0.27 H new ATOM 0 HG2 GLN A 103 -9.535 8.315 -2.361 1.00 0.28 H new ATOM 0 HG3 GLN A 103 -10.546 7.363 -1.293 1.00 0.28 H new ATOM 0 HE21 GLN A 103 -12.171 9.015 -1.739 1.00 1.46 H new ATOM 0 HE22 GLN A 103 -12.178 10.475 -0.744 1.00 1.46 H new ATOM 1692 N VAL A 104 -6.827 4.931 0.027 1.00 0.19 N ATOM 1693 CA VAL A 104 -5.710 4.307 0.708 1.00 0.16 C ATOM 1694 C VAL A 104 -4.782 3.658 -0.319 1.00 0.16 C ATOM 1695 O VAL A 104 -3.593 3.962 -0.362 1.00 0.16 O ATOM 1696 CB VAL A 104 -6.240 3.343 1.777 1.00 0.18 C ATOM 1697 CG1 VAL A 104 -5.085 2.581 2.404 1.00 0.17 C ATOM 1698 CG2 VAL A 104 -6.932 4.144 2.881 1.00 0.21 C ATOM 0 H VAL A 104 -7.726 4.467 0.157 1.00 0.19 H new ATOM 0 HA VAL A 104 -5.106 5.045 1.236 1.00 0.16 H new ATOM 0 HB VAL A 104 -6.938 2.648 1.310 1.00 0.18 H new ATOM 0 HG11 VAL A 104 -5.468 1.898 3.162 1.00 0.17 H new ATOM 0 HG12 VAL A 104 -4.564 2.012 1.634 1.00 0.17 H new ATOM 0 HG13 VAL A 104 -4.393 3.285 2.866 1.00 0.17 H new ATOM 0 HG21 VAL A 104 -7.310 3.462 3.643 1.00 0.21 H new ATOM 0 HG22 VAL A 104 -6.218 4.833 3.333 1.00 0.21 H new ATOM 0 HG23 VAL A 104 -7.762 4.709 2.455 1.00 0.21 H new ATOM 1708 N ILE A 105 -5.317 2.782 -1.164 1.00 0.18 N ATOM 1709 CA ILE A 105 -4.555 2.012 -2.134 1.00 0.20 C ATOM 1710 C ILE A 105 -3.836 2.947 -3.086 1.00 0.22 C ATOM 1711 O ILE A 105 -2.629 2.809 -3.279 1.00 0.23 O ATOM 1712 CB ILE A 105 -5.479 1.011 -2.851 1.00 0.20 C ATOM 1713 CG1 ILE A 105 -5.736 -0.181 -1.919 1.00 0.19 C ATOM 1714 CG2 ILE A 105 -4.943 0.509 -4.201 1.00 0.23 C ATOM 1715 CD1 ILE A 105 -4.460 -0.899 -1.442 1.00 0.21 C ATOM 0 H ILE A 105 -6.317 2.585 -1.192 1.00 0.18 H new ATOM 0 HA ILE A 105 -3.787 1.426 -1.630 1.00 0.20 H new ATOM 0 HB ILE A 105 -6.401 1.545 -3.081 1.00 0.20 H new ATOM 0 HG12 ILE A 105 -6.290 0.167 -1.047 1.00 0.19 H new ATOM 0 HG13 ILE A 105 -6.372 -0.900 -2.435 1.00 0.19 H new ATOM 0 HG21 ILE A 105 -5.655 -0.191 -4.638 1.00 0.23 H new ATOM 0 HG22 ILE A 105 -4.806 1.354 -4.875 1.00 0.23 H new ATOM 0 HG23 ILE A 105 -3.987 0.007 -4.049 1.00 0.23 H new ATOM 0 HD11 ILE A 105 -4.732 -1.728 -0.788 1.00 0.21 H new ATOM 0 HD12 ILE A 105 -3.913 -1.281 -2.304 1.00 0.21 H new ATOM 0 HD13 ILE A 105 -3.830 -0.197 -0.895 1.00 0.21 H new ATOM 1727 N GLN A 106 -4.558 3.906 -3.665 1.00 0.24 N ATOM 1728 CA GLN A 106 -3.930 4.871 -4.556 1.00 0.25 C ATOM 1729 C GLN A 106 -2.810 5.622 -3.839 1.00 0.26 C ATOM 1730 O GLN A 106 -1.856 6.005 -4.493 1.00 0.31 O ATOM 1731 CB GLN A 106 -4.956 5.805 -5.216 1.00 0.30 C ATOM 1732 CG GLN A 106 -5.556 6.851 -4.270 1.00 0.63 C ATOM 1733 CD GLN A 106 -4.688 8.093 -4.078 1.00 1.25 C ATOM 1734 OE1 GLN A 106 -4.258 8.723 -5.035 1.00 1.84 O ATOM 1735 NE2 GLN A 106 -4.426 8.480 -2.836 1.00 2.19 N ATOM 0 H GLN A 106 -5.562 4.032 -3.534 1.00 0.24 H new ATOM 0 HA GLN A 106 -3.469 4.321 -5.377 1.00 0.25 H new ATOM 0 HB2 GLN A 106 -4.479 6.318 -6.051 1.00 0.30 H new ATOM 0 HB3 GLN A 106 -5.764 5.203 -5.632 1.00 0.30 H new ATOM 0 HG2 GLN A 106 -6.529 7.157 -4.655 1.00 0.63 H new ATOM 0 HG3 GLN A 106 -5.729 6.389 -3.298 1.00 0.63 H new ATOM 0 HE21 GLN A 106 -4.791 7.945 -2.048 1.00 2.19 H new ATOM 0 HE22 GLN A 106 -3.860 9.312 -2.670 1.00 2.19 H new ATOM 1744 N SER A 107 -2.887 5.815 -2.518 1.00 0.21 N ATOM 1745 CA SER A 107 -1.801 6.383 -1.738 1.00 0.20 C ATOM 1746 C SER A 107 -0.594 5.463 -1.787 1.00 0.17 C ATOM 1747 O SER A 107 0.472 5.907 -2.198 1.00 0.19 O ATOM 1748 CB SER A 107 -2.215 6.623 -0.285 1.00 0.21 C ATOM 1749 OG SER A 107 -1.449 7.667 0.286 1.00 0.46 O ATOM 0 H SER A 107 -3.711 5.578 -1.965 1.00 0.21 H new ATOM 0 HA SER A 107 -1.544 7.348 -2.175 1.00 0.20 H new ATOM 0 HB2 SER A 107 -3.274 6.876 -0.240 1.00 0.21 H new ATOM 0 HB3 SER A 107 -2.081 5.708 0.293 1.00 0.21 H new ATOM 0 HG SER A 107 -2.044 8.391 0.572 1.00 0.46 H new ATOM 1755 N LEU A 108 -0.720 4.192 -1.380 1.00 0.16 N ATOM 1756 CA LEU A 108 0.457 3.329 -1.364 1.00 0.15 C ATOM 1757 C LEU A 108 1.103 3.315 -2.728 1.00 0.18 C ATOM 1758 O LEU A 108 2.314 3.405 -2.825 1.00 0.16 O ATOM 1759 CB LEU A 108 0.170 1.868 -1.019 1.00 0.15 C ATOM 1760 CG LEU A 108 -0.211 1.562 0.429 1.00 0.15 C ATOM 1761 CD1 LEU A 108 0.413 2.533 1.426 1.00 0.13 C ATOM 1762 CD2 LEU A 108 -1.720 1.474 0.592 1.00 0.20 C ATOM 0 H LEU A 108 -1.589 3.757 -1.070 1.00 0.16 H new ATOM 0 HA LEU A 108 1.095 3.751 -0.587 1.00 0.15 H new ATOM 0 HB2 LEU A 108 -0.637 1.519 -1.663 1.00 0.15 H new ATOM 0 HB3 LEU A 108 1.053 1.280 -1.269 1.00 0.15 H new ATOM 0 HG LEU A 108 0.209 0.584 0.663 1.00 0.15 H new ATOM 0 HD11 LEU A 108 0.106 2.264 2.437 1.00 0.13 H new ATOM 0 HD12 LEU A 108 1.499 2.483 1.352 1.00 0.13 H new ATOM 0 HD13 LEU A 108 0.081 3.547 1.203 1.00 0.13 H new ATOM 0 HD21 LEU A 108 -1.961 1.255 1.632 1.00 0.20 H new ATOM 0 HD22 LEU A 108 -2.173 2.423 0.306 1.00 0.20 H new ATOM 0 HD23 LEU A 108 -2.109 0.680 -0.045 1.00 0.20 H new ATOM 1774 N ILE A 109 0.316 3.182 -3.783 1.00 0.25 N ATOM 1775 CA ILE A 109 0.855 3.151 -5.124 1.00 0.27 C ATOM 1776 C ILE A 109 1.520 4.484 -5.435 1.00 0.29 C ATOM 1777 O ILE A 109 2.626 4.501 -5.949 1.00 0.34 O ATOM 1778 CB ILE A 109 -0.273 2.811 -6.093 1.00 0.26 C ATOM 1779 CG1 ILE A 109 -0.661 1.347 -5.842 1.00 0.23 C ATOM 1780 CG2 ILE A 109 0.183 2.975 -7.543 1.00 0.29 C ATOM 1781 CD1 ILE A 109 -2.106 1.106 -6.258 1.00 0.18 C ATOM 0 H ILE A 109 -0.699 3.094 -3.732 1.00 0.25 H new ATOM 0 HA ILE A 109 1.623 2.384 -5.224 1.00 0.27 H new ATOM 0 HB ILE A 109 -1.117 3.481 -5.932 1.00 0.26 H new ATOM 0 HG12 ILE A 109 0.001 0.687 -6.402 1.00 0.23 H new ATOM 0 HG13 ILE A 109 -0.534 1.105 -4.787 1.00 0.23 H new ATOM 0 HG21 ILE A 109 -0.640 2.726 -8.213 1.00 0.29 H new ATOM 0 HG22 ILE A 109 0.491 4.007 -7.713 1.00 0.29 H new ATOM 0 HG23 ILE A 109 1.024 2.309 -7.738 1.00 0.29 H new ATOM 0 HD11 ILE A 109 -2.368 0.064 -6.075 1.00 0.18 H new ATOM 0 HD12 ILE A 109 -2.764 1.753 -5.678 1.00 0.18 H new ATOM 0 HD13 ILE A 109 -2.221 1.328 -7.319 1.00 0.18 H new ATOM 1793 N ALA A 110 0.865 5.596 -5.122 1.00 0.28 N ATOM 1794 CA ALA A 110 1.342 6.936 -5.416 1.00 0.29 C ATOM 1795 C ALA A 110 2.709 7.178 -4.787 1.00 0.27 C ATOM 1796 O ALA A 110 3.543 7.841 -5.384 1.00 0.29 O ATOM 1797 CB ALA A 110 0.309 7.962 -4.931 1.00 0.29 C ATOM 0 H ALA A 110 -0.036 5.587 -4.644 1.00 0.28 H new ATOM 0 HA ALA A 110 1.463 7.046 -6.494 1.00 0.29 H new ATOM 0 HB1 ALA A 110 0.665 8.969 -5.151 1.00 0.29 H new ATOM 0 HB2 ALA A 110 -0.639 7.793 -5.442 1.00 0.29 H new ATOM 0 HB3 ALA A 110 0.166 7.854 -3.856 1.00 0.29 H new ATOM 1803 N LEU A 111 2.939 6.642 -3.593 1.00 0.24 N ATOM 1804 CA LEU A 111 4.143 6.821 -2.804 1.00 0.22 C ATOM 1805 C LEU A 111 5.229 5.808 -3.181 1.00 0.28 C ATOM 1806 O LEU A 111 6.410 6.133 -3.266 1.00 0.43 O ATOM 1807 CB LEU A 111 3.753 6.663 -1.324 1.00 0.18 C ATOM 1808 CG LEU A 111 3.262 7.932 -0.606 1.00 0.14 C ATOM 1809 CD1 LEU A 111 3.929 9.208 -1.095 1.00 0.35 C ATOM 1810 CD2 LEU A 111 1.749 8.119 -0.681 1.00 0.28 C ATOM 0 H LEU A 111 2.255 6.043 -3.131 1.00 0.24 H new ATOM 0 HA LEU A 111 4.560 7.809 -2.996 1.00 0.22 H new ATOM 0 HB2 LEU A 111 2.970 5.908 -1.256 1.00 0.18 H new ATOM 0 HB3 LEU A 111 4.617 6.277 -0.783 1.00 0.18 H new ATOM 0 HG LEU A 111 3.551 7.763 0.431 1.00 0.14 H new ATOM 0 HD11 LEU A 111 3.533 10.060 -0.543 1.00 0.35 H new ATOM 0 HD12 LEU A 111 5.005 9.141 -0.935 1.00 0.35 H new ATOM 0 HD13 LEU A 111 3.728 9.339 -2.158 1.00 0.35 H new ATOM 0 HD21 LEU A 111 1.469 9.032 -0.155 1.00 0.28 H new ATOM 0 HD22 LEU A 111 1.443 8.193 -1.725 1.00 0.28 H new ATOM 0 HD23 LEU A 111 1.254 7.266 -0.217 1.00 0.28 H new ATOM 1822 N VAL A 112 4.867 4.541 -3.337 1.00 0.26 N ATOM 1823 CA VAL A 112 5.777 3.470 -3.726 1.00 0.27 C ATOM 1824 C VAL A 112 6.308 3.769 -5.134 1.00 0.32 C ATOM 1825 O VAL A 112 7.464 3.482 -5.444 1.00 0.40 O ATOM 1826 CB VAL A 112 5.033 2.123 -3.622 1.00 0.22 C ATOM 1827 CG1 VAL A 112 5.845 0.928 -4.121 1.00 0.26 C ATOM 1828 CG2 VAL A 112 4.695 1.788 -2.160 1.00 0.22 C ATOM 0 H VAL A 112 3.909 4.221 -3.193 1.00 0.26 H new ATOM 0 HA VAL A 112 6.640 3.406 -3.063 1.00 0.27 H new ATOM 0 HB VAL A 112 4.148 2.264 -4.243 1.00 0.22 H new ATOM 0 HG11 VAL A 112 5.255 0.018 -4.016 1.00 0.26 H new ATOM 0 HG12 VAL A 112 6.101 1.075 -5.170 1.00 0.26 H new ATOM 0 HG13 VAL A 112 6.759 0.838 -3.533 1.00 0.26 H new ATOM 0 HG21 VAL A 112 4.171 0.833 -2.117 1.00 0.22 H new ATOM 0 HG22 VAL A 112 5.615 1.723 -1.579 1.00 0.22 H new ATOM 0 HG23 VAL A 112 4.059 2.570 -1.745 1.00 0.22 H new ATOM 1838 N ASN A 113 5.461 4.350 -5.981 1.00 0.32 N ATOM 1839 CA ASN A 113 5.796 4.839 -7.305 1.00 0.39 C ATOM 1840 C ASN A 113 6.633 6.110 -7.164 1.00 0.34 C ATOM 1841 O ASN A 113 7.767 6.147 -7.637 1.00 0.36 O ATOM 1842 CB ASN A 113 4.487 5.070 -8.080 1.00 0.50 C ATOM 1843 CG ASN A 113 4.676 5.329 -9.564 1.00 1.76 C ATOM 1844 OD1 ASN A 113 5.542 6.084 -9.981 1.00 2.86 O ATOM 1845 ND2 ASN A 113 3.871 4.686 -10.401 1.00 2.36 N ATOM 0 H ASN A 113 4.479 4.497 -5.747 1.00 0.32 H new ATOM 0 HA ASN A 113 6.393 4.119 -7.865 1.00 0.39 H new ATOM 0 HB2 ASN A 113 3.845 4.198 -7.954 1.00 0.50 H new ATOM 0 HB3 ASN A 113 3.962 5.918 -7.639 1.00 0.50 H new ATOM 0 HD21 ASN A 113 3.970 4.819 -11.407 1.00 2.36 H new ATOM 0 HD22 ASN A 113 3.153 4.059 -10.038 1.00 2.36 H new ATOM 1852 N ASP A 114 6.102 7.123 -6.473 1.00 0.30 N ATOM 1853 CA ASP A 114 6.739 8.431 -6.333 1.00 0.30 C ATOM 1854 C ASP A 114 6.895 8.793 -4.850 1.00 0.25 C ATOM 1855 O ASP A 114 6.002 9.385 -4.243 1.00 0.23 O ATOM 1856 CB ASP A 114 5.934 9.489 -7.098 1.00 0.41 C ATOM 1857 CG ASP A 114 6.690 10.816 -7.164 1.00 0.76 C ATOM 1858 OD1 ASP A 114 7.932 10.779 -7.011 1.00 0.89 O ATOM 1859 OD2 ASP A 114 6.023 11.845 -7.416 1.00 1.32 O ATOM 0 H ASP A 114 5.206 7.054 -5.990 1.00 0.30 H new ATOM 0 HA ASP A 114 7.739 8.395 -6.766 1.00 0.30 H new ATOM 0 HB2 ASP A 114 5.728 9.134 -8.108 1.00 0.41 H new ATOM 0 HB3 ASP A 114 4.971 9.640 -6.611 1.00 0.41 H new ATOM 1864 N PRO A 115 8.010 8.397 -4.218 1.00 0.27 N ATOM 1865 CA PRO A 115 8.200 8.559 -2.785 1.00 0.26 C ATOM 1866 C PRO A 115 8.485 10.018 -2.445 1.00 0.25 C ATOM 1867 O PRO A 115 9.201 10.703 -3.171 1.00 0.37 O ATOM 1868 CB PRO A 115 9.391 7.661 -2.436 1.00 0.35 C ATOM 1869 CG PRO A 115 10.189 7.630 -3.735 1.00 0.42 C ATOM 1870 CD PRO A 115 9.108 7.660 -4.810 1.00 0.36 C ATOM 0 HA PRO A 115 7.312 8.283 -2.216 1.00 0.26 H new ATOM 0 HB2 PRO A 115 9.977 8.069 -1.612 1.00 0.35 H new ATOM 0 HB3 PRO A 115 9.070 6.664 -2.135 1.00 0.35 H new ATOM 0 HG2 PRO A 115 10.860 8.485 -3.815 1.00 0.42 H new ATOM 0 HG3 PRO A 115 10.804 6.733 -3.808 1.00 0.42 H new ATOM 0 HD2 PRO A 115 9.467 8.147 -5.717 1.00 0.36 H new ATOM 0 HD3 PRO A 115 8.801 6.652 -5.090 1.00 0.36 H new ATOM 1878 N GLN A 116 7.964 10.485 -1.309 1.00 0.21 N ATOM 1879 CA GLN A 116 8.062 11.881 -0.910 1.00 0.24 C ATOM 1880 C GLN A 116 9.143 12.044 0.165 1.00 0.23 C ATOM 1881 O GLN A 116 8.858 11.818 1.339 1.00 0.31 O ATOM 1882 CB GLN A 116 6.689 12.321 -0.377 1.00 0.35 C ATOM 1883 CG GLN A 116 5.625 12.257 -1.479 1.00 1.75 C ATOM 1884 CD GLN A 116 4.224 12.578 -0.963 1.00 1.75 C ATOM 1885 OE1 GLN A 116 3.993 12.761 0.226 1.00 1.95 O ATOM 1886 NE2 GLN A 116 3.236 12.581 -1.850 1.00 3.08 N ATOM 0 H GLN A 116 7.462 9.900 -0.641 1.00 0.21 H new ATOM 0 HA GLN A 116 8.343 12.503 -1.760 1.00 0.24 H new ATOM 0 HB2 GLN A 116 6.395 11.680 0.454 1.00 0.35 H new ATOM 0 HB3 GLN A 116 6.754 13.337 0.012 1.00 0.35 H new ATOM 0 HG2 GLN A 116 5.886 12.958 -2.272 1.00 1.75 H new ATOM 0 HG3 GLN A 116 5.626 11.261 -1.922 1.00 1.75 H new ATOM 0 HE21 GLN A 116 3.437 12.428 -2.838 1.00 3.08 H new ATOM 0 HE22 GLN A 116 2.276 12.737 -1.543 1.00 3.08 H new ATOM 1895 N PRO A 117 10.379 12.451 -0.172 1.00 0.25 N ATOM 1896 CA PRO A 117 11.452 12.602 0.806 1.00 0.27 C ATOM 1897 C PRO A 117 11.304 13.848 1.687 1.00 0.38 C ATOM 1898 O PRO A 117 12.169 14.097 2.520 1.00 0.67 O ATOM 1899 CB PRO A 117 12.752 12.626 -0.013 1.00 0.35 C ATOM 1900 CG PRO A 117 12.293 13.257 -1.327 1.00 0.43 C ATOM 1901 CD PRO A 117 10.894 12.668 -1.513 1.00 0.32 C ATOM 0 HA PRO A 117 11.436 11.778 1.520 1.00 0.27 H new ATOM 0 HB2 PRO A 117 13.529 13.217 0.473 1.00 0.35 H new ATOM 0 HB3 PRO A 117 13.158 11.626 -0.162 1.00 0.35 H new ATOM 0 HG2 PRO A 117 12.269 14.345 -1.267 1.00 0.43 H new ATOM 0 HG3 PRO A 117 12.955 12.998 -2.153 1.00 0.43 H new ATOM 0 HD2 PRO A 117 10.253 13.349 -2.073 1.00 0.32 H new ATOM 0 HD3 PRO A 117 10.933 11.734 -2.073 1.00 0.32 H new ATOM 1909 N GLU A 118 10.226 14.626 1.542 1.00 0.32 N ATOM 1910 CA GLU A 118 9.978 15.814 2.349 1.00 0.38 C ATOM 1911 C GLU A 118 9.848 15.471 3.835 1.00 0.34 C ATOM 1912 O GLU A 118 10.543 16.057 4.660 1.00 0.53 O ATOM 1913 CB GLU A 118 8.766 16.575 1.792 1.00 0.45 C ATOM 1914 CG GLU A 118 7.462 15.766 1.824 1.00 2.14 C ATOM 1915 CD GLU A 118 6.485 16.251 0.752 1.00 2.66 C ATOM 1916 OE1 GLU A 118 5.514 16.948 1.116 1.00 2.96 O ATOM 1917 OE2 GLU A 118 6.745 15.916 -0.426 1.00 3.86 O ATOM 0 H GLU A 118 9.497 14.442 0.853 1.00 0.32 H new ATOM 0 HA GLU A 118 10.839 16.479 2.282 1.00 0.38 H new ATOM 0 HB2 GLU A 118 8.629 17.492 2.366 1.00 0.45 H new ATOM 0 HB3 GLU A 118 8.975 16.871 0.764 1.00 0.45 H new ATOM 0 HG2 GLU A 118 7.682 14.710 1.668 1.00 2.14 H new ATOM 0 HG3 GLU A 118 7.000 15.854 2.807 1.00 2.14 H new ATOM 1924 N HIS A 119 8.973 14.525 4.190 1.00 0.22 N ATOM 1925 CA HIS A 119 8.869 14.021 5.556 1.00 0.23 C ATOM 1926 C HIS A 119 8.115 12.683 5.583 1.00 0.22 C ATOM 1927 O HIS A 119 6.993 12.601 6.084 1.00 0.29 O ATOM 1928 CB HIS A 119 8.217 15.078 6.463 1.00 0.37 C ATOM 1929 CG HIS A 119 6.969 15.715 5.904 1.00 0.83 C ATOM 1930 ND1 HIS A 119 5.804 15.065 5.571 1.00 2.06 N ATOM 1931 CD2 HIS A 119 6.800 17.043 5.624 1.00 1.50 C ATOM 1932 CE1 HIS A 119 4.950 15.988 5.093 1.00 2.34 C ATOM 1933 NE2 HIS A 119 5.506 17.210 5.127 1.00 1.88 N ATOM 0 H HIS A 119 8.320 14.090 3.538 1.00 0.22 H new ATOM 0 HA HIS A 119 9.869 13.830 5.945 1.00 0.23 H new ATOM 0 HB2 HIS A 119 7.973 14.614 7.419 1.00 0.37 H new ATOM 0 HB3 HIS A 119 8.947 15.861 6.666 1.00 0.37 H new ATOM 0 HD1 HIS A 119 5.621 14.066 5.669 1.00 2.06 H new ATOM 0 HD2 HIS A 119 7.535 17.822 5.762 1.00 1.50 H new ATOM 0 HE1 HIS A 119 3.955 15.776 4.732 1.00 2.34 H new ATOM 1941 N PRO A 120 8.704 11.621 5.025 1.00 0.19 N ATOM 1942 CA PRO A 120 8.115 10.293 5.028 1.00 0.19 C ATOM 1943 C PRO A 120 8.452 9.562 6.336 1.00 0.21 C ATOM 1944 O PRO A 120 9.114 10.116 7.212 1.00 0.30 O ATOM 1945 CB PRO A 120 8.748 9.616 3.817 1.00 0.23 C ATOM 1946 CG PRO A 120 10.160 10.191 3.828 1.00 0.26 C ATOM 1947 CD PRO A 120 9.971 11.624 4.320 1.00 0.21 C ATOM 0 HA PRO A 120 7.027 10.299 4.970 1.00 0.19 H new ATOM 0 HB2 PRO A 120 8.750 8.530 3.912 1.00 0.23 H new ATOM 0 HB3 PRO A 120 8.219 9.854 2.894 1.00 0.23 H new ATOM 0 HG2 PRO A 120 10.816 9.625 4.489 1.00 0.26 H new ATOM 0 HG3 PRO A 120 10.609 10.166 2.835 1.00 0.26 H new ATOM 0 HD2 PRO A 120 10.787 11.925 4.977 1.00 0.21 H new ATOM 0 HD3 PRO A 120 9.956 12.327 3.487 1.00 0.21 H new ATOM 1955 N LEU A 121 8.020 8.301 6.462 1.00 0.19 N ATOM 1956 CA LEU A 121 8.175 7.501 7.678 1.00 0.21 C ATOM 1957 C LEU A 121 9.645 7.366 8.052 1.00 0.24 C ATOM 1958 O LEU A 121 10.055 7.697 9.162 1.00 0.31 O ATOM 1959 CB LEU A 121 7.549 6.106 7.482 1.00 0.20 C ATOM 1960 CG LEU A 121 6.388 5.885 8.451 1.00 0.24 C ATOM 1961 CD1 LEU A 121 5.603 4.642 8.045 1.00 0.55 C ATOM 1962 CD2 LEU A 121 6.872 5.713 9.892 1.00 0.49 C ATOM 0 H LEU A 121 7.546 7.802 5.709 1.00 0.19 H new ATOM 0 HA LEU A 121 7.658 8.011 8.491 1.00 0.21 H new ATOM 0 HB2 LEU A 121 7.196 6.003 6.456 1.00 0.20 H new ATOM 0 HB3 LEU A 121 8.307 5.338 7.636 1.00 0.20 H new ATOM 0 HG LEU A 121 5.753 6.770 8.404 1.00 0.24 H new ATOM 0 HD11 LEU A 121 4.777 4.490 8.740 1.00 0.55 H new ATOM 0 HD12 LEU A 121 5.210 4.773 7.037 1.00 0.55 H new ATOM 0 HD13 LEU A 121 6.260 3.773 8.068 1.00 0.55 H new ATOM 0 HD21 LEU A 121 6.015 5.558 10.548 1.00 0.49 H new ATOM 0 HD22 LEU A 121 7.535 4.850 9.952 1.00 0.49 H new ATOM 0 HD23 LEU A 121 7.411 6.608 10.204 1.00 0.49 H new ATOM 1974 N ARG A 122 10.444 6.862 7.116 1.00 0.26 N ATOM 1975 CA ARG A 122 11.880 6.779 7.260 1.00 0.29 C ATOM 1976 C ARG A 122 12.491 7.806 6.323 1.00 0.26 C ATOM 1977 O ARG A 122 12.895 7.464 5.214 1.00 0.25 O ATOM 1978 CB ARG A 122 12.367 5.352 6.964 1.00 0.34 C ATOM 1979 CG ARG A 122 12.134 4.401 8.144 1.00 0.39 C ATOM 1980 CD ARG A 122 13.331 3.455 8.340 1.00 0.69 C ATOM 1981 NE ARG A 122 14.564 4.164 8.744 1.00 1.16 N ATOM 1982 CZ ARG A 122 14.803 4.675 9.957 1.00 1.13 C ATOM 1983 NH1 ARG A 122 15.962 5.283 10.195 1.00 1.69 N ATOM 1984 NH2 ARG A 122 13.889 4.579 10.926 1.00 1.79 N ATOM 0 H ARG A 122 10.100 6.497 6.228 1.00 0.26 H new ATOM 0 HA ARG A 122 12.188 6.998 8.282 1.00 0.29 H new ATOM 0 HB2 ARG A 122 11.850 4.969 6.084 1.00 0.34 H new ATOM 0 HB3 ARG A 122 13.430 5.376 6.724 1.00 0.34 H new ATOM 0 HG2 ARG A 122 11.971 4.979 9.054 1.00 0.39 H new ATOM 0 HG3 ARG A 122 11.230 3.817 7.971 1.00 0.39 H new ATOM 0 HD2 ARG A 122 13.080 2.712 9.097 1.00 0.69 H new ATOM 0 HD3 ARG A 122 13.516 2.914 7.412 1.00 0.69 H new ATOM 0 HE ARG A 122 15.293 4.273 8.039 1.00 1.16 H new ATOM 0 HH11 ARG A 122 16.660 5.357 9.455 1.00 1.69 H new ATOM 0 HH12 ARG A 122 16.152 5.675 11.117 1.00 1.69 H new ATOM 0 HH21 ARG A 122 13.000 4.113 10.744 1.00 1.79 H new ATOM 0 HH22 ARG A 122 14.080 4.972 11.848 1.00 1.79 H new ATOM 1998 N ALA A 123 12.590 9.055 6.794 1.00 0.33 N ATOM 1999 CA ALA A 123 13.284 10.129 6.088 1.00 0.33 C ATOM 2000 C ALA A 123 14.623 9.635 5.561 1.00 0.31 C ATOM 2001 O ALA A 123 14.944 9.865 4.411 1.00 0.30 O ATOM 2002 CB ALA A 123 13.495 11.330 7.012 1.00 0.39 C ATOM 0 H ALA A 123 12.186 9.347 7.684 1.00 0.33 H new ATOM 0 HA ALA A 123 12.667 10.442 5.246 1.00 0.33 H new ATOM 0 HB1 ALA A 123 14.013 12.120 6.469 1.00 0.39 H new ATOM 0 HB2 ALA A 123 12.529 11.699 7.355 1.00 0.39 H new ATOM 0 HB3 ALA A 123 14.094 11.027 7.871 1.00 0.39 H new ATOM 2008 N ASP A 124 15.358 8.917 6.401 1.00 0.37 N ATOM 2009 CA ASP A 124 16.613 8.226 6.130 1.00 0.40 C ATOM 2010 C ASP A 124 16.600 7.402 4.833 1.00 0.34 C ATOM 2011 O ASP A 124 17.394 7.669 3.936 1.00 0.37 O ATOM 2012 CB ASP A 124 16.868 7.398 7.397 1.00 0.66 C ATOM 2013 CG ASP A 124 17.750 6.174 7.220 1.00 1.36 C ATOM 2014 OD1 ASP A 124 18.875 6.329 6.710 1.00 2.33 O ATOM 2015 OD2 ASP A 124 17.259 5.108 7.669 1.00 2.71 O ATOM 0 H ASP A 124 15.067 8.793 7.371 1.00 0.37 H new ATOM 0 HA ASP A 124 17.428 8.923 5.936 1.00 0.40 H new ATOM 0 HB2 ASP A 124 17.324 8.046 8.146 1.00 0.66 H new ATOM 0 HB3 ASP A 124 15.907 7.075 7.797 1.00 0.66 H new ATOM 2020 N LEU A 125 15.681 6.449 4.652 1.00 0.31 N ATOM 2021 CA LEU A 125 15.561 5.759 3.366 1.00 0.34 C ATOM 2022 C LEU A 125 15.325 6.750 2.222 1.00 0.31 C ATOM 2023 O LEU A 125 15.755 6.533 1.091 1.00 0.38 O ATOM 2024 CB LEU A 125 14.415 4.739 3.411 1.00 0.34 C ATOM 2025 CG LEU A 125 14.635 3.581 4.390 1.00 0.48 C ATOM 2026 CD1 LEU A 125 13.446 2.622 4.288 1.00 1.26 C ATOM 2027 CD2 LEU A 125 15.935 2.842 4.088 1.00 1.29 C ATOM 0 H LEU A 125 15.020 6.142 5.366 1.00 0.31 H new ATOM 0 HA LEU A 125 16.501 5.238 3.182 1.00 0.34 H new ATOM 0 HB2 LEU A 125 13.495 5.257 3.681 1.00 0.34 H new ATOM 0 HB3 LEU A 125 14.269 4.330 2.411 1.00 0.34 H new ATOM 0 HG LEU A 125 14.711 3.979 5.402 1.00 0.48 H new ATOM 0 HD11 LEU A 125 13.588 1.792 4.980 1.00 1.26 H new ATOM 0 HD12 LEU A 125 12.528 3.152 4.541 1.00 1.26 H new ATOM 0 HD13 LEU A 125 13.374 2.238 3.270 1.00 1.26 H new ATOM 0 HD21 LEU A 125 16.063 2.026 4.799 1.00 1.29 H new ATOM 0 HD22 LEU A 125 15.898 2.439 3.076 1.00 1.29 H new ATOM 0 HD23 LEU A 125 16.774 3.532 4.173 1.00 1.29 H new ATOM 2039 N ALA A 126 14.611 7.839 2.505 1.00 0.23 N ATOM 2040 CA ALA A 126 14.297 8.863 1.527 1.00 0.22 C ATOM 2041 C ALA A 126 15.536 9.682 1.194 1.00 0.23 C ATOM 2042 O ALA A 126 15.658 10.196 0.087 1.00 0.25 O ATOM 2043 CB ALA A 126 13.176 9.761 2.049 1.00 0.22 C ATOM 0 H ALA A 126 14.233 8.031 3.433 1.00 0.23 H new ATOM 0 HA ALA A 126 13.956 8.381 0.611 1.00 0.22 H new ATOM 0 HB1 ALA A 126 12.948 10.526 1.307 1.00 0.22 H new ATOM 0 HB2 ALA A 126 12.286 9.160 2.236 1.00 0.22 H new ATOM 0 HB3 ALA A 126 13.494 10.238 2.976 1.00 0.22 H new ATOM 2049 N GLU A 127 16.459 9.803 2.143 1.00 0.26 N ATOM 2050 CA GLU A 127 17.743 10.421 1.940 1.00 0.27 C ATOM 2051 C GLU A 127 18.535 9.571 0.984 1.00 0.29 C ATOM 2052 O GLU A 127 18.915 10.061 -0.069 1.00 0.35 O ATOM 2053 CB GLU A 127 18.534 10.619 3.228 1.00 0.29 C ATOM 2054 CG GLU A 127 17.829 11.659 4.083 1.00 0.35 C ATOM 2055 CD GLU A 127 18.802 12.443 4.973 1.00 0.67 C ATOM 2056 OE1 GLU A 127 19.917 12.753 4.482 1.00 1.55 O ATOM 2057 OE2 GLU A 127 18.424 12.736 6.126 1.00 1.87 O ATOM 0 H GLU A 127 16.321 9.462 3.094 1.00 0.26 H new ATOM 0 HA GLU A 127 17.566 11.418 1.536 1.00 0.27 H new ATOM 0 HB2 GLU A 127 18.614 9.677 3.770 1.00 0.29 H new ATOM 0 HB3 GLU A 127 19.550 10.943 3.001 1.00 0.29 H new ATOM 0 HG2 GLU A 127 17.293 12.353 3.436 1.00 0.35 H new ATOM 0 HG3 GLU A 127 17.085 11.167 4.709 1.00 0.35 H new ATOM 2064 N GLU A 128 18.778 8.305 1.318 1.00 0.27 N ATOM 2065 CA GLU A 128 19.573 7.451 0.447 1.00 0.27 C ATOM 2066 C GLU A 128 18.957 7.419 -0.953 1.00 0.25 C ATOM 2067 O GLU A 128 19.677 7.383 -1.945 1.00 0.26 O ATOM 2068 CB GLU A 128 19.735 6.055 1.059 1.00 0.35 C ATOM 2069 CG GLU A 128 20.747 5.245 0.232 1.00 0.50 C ATOM 2070 CD GLU A 128 21.053 3.867 0.823 1.00 1.29 C ATOM 2071 OE1 GLU A 128 20.348 2.903 0.442 1.00 2.18 O ATOM 2072 OE2 GLU A 128 22.027 3.789 1.605 1.00 2.36 O ATOM 0 H GLU A 128 18.442 7.857 2.170 1.00 0.27 H new ATOM 0 HA GLU A 128 20.578 7.862 0.349 1.00 0.27 H new ATOM 0 HB2 GLU A 128 20.076 6.136 2.091 1.00 0.35 H new ATOM 0 HB3 GLU A 128 18.773 5.542 1.080 1.00 0.35 H new ATOM 0 HG2 GLU A 128 20.361 5.120 -0.780 1.00 0.50 H new ATOM 0 HG3 GLU A 128 21.675 5.811 0.151 1.00 0.50 H new ATOM 2079 N TYR A 129 17.632 7.527 -1.051 1.00 0.23 N ATOM 2080 CA TYR A 129 16.969 7.628 -2.347 1.00 0.24 C ATOM 2081 C TYR A 129 17.319 8.948 -3.037 1.00 0.24 C ATOM 2082 O TYR A 129 17.673 8.976 -4.213 1.00 0.29 O ATOM 2083 CB TYR A 129 15.455 7.521 -2.140 1.00 0.27 C ATOM 2084 CG TYR A 129 14.622 7.868 -3.358 1.00 0.69 C ATOM 2085 CD1 TYR A 129 13.921 9.087 -3.420 1.00 2.28 C ATOM 2086 CD2 TYR A 129 14.564 6.975 -4.439 1.00 2.11 C ATOM 2087 CE1 TYR A 129 13.157 9.401 -4.557 1.00 2.73 C ATOM 2088 CE2 TYR A 129 13.780 7.262 -5.568 1.00 2.40 C ATOM 2089 CZ TYR A 129 13.065 8.480 -5.624 1.00 1.98 C ATOM 2090 OH TYR A 129 12.340 8.809 -6.728 1.00 2.63 O ATOM 0 H TYR A 129 17.000 7.547 -0.250 1.00 0.23 H new ATOM 0 HA TYR A 129 17.311 6.816 -2.989 1.00 0.24 H new ATOM 0 HB2 TYR A 129 15.215 6.504 -1.831 1.00 0.27 H new ATOM 0 HB3 TYR A 129 15.167 8.179 -1.320 1.00 0.27 H new ATOM 0 HD1 TYR A 129 13.970 9.781 -2.594 1.00 2.28 H new ATOM 0 HD2 TYR A 129 15.129 6.056 -4.402 1.00 2.11 H new ATOM 0 HE1 TYR A 129 12.640 10.347 -4.615 1.00 2.73 H new ATOM 0 HE2 TYR A 129 13.724 6.559 -6.386 1.00 2.40 H new ATOM 0 HH TYR A 129 12.374 8.072 -7.373 1.00 2.63 H new ATOM 2100 N SER A 130 17.177 10.058 -2.320 1.00 0.24 N ATOM 2101 CA SER A 130 17.280 11.401 -2.864 1.00 0.27 C ATOM 2102 C SER A 130 18.734 11.778 -3.149 1.00 0.33 C ATOM 2103 O SER A 130 18.977 12.714 -3.907 1.00 0.66 O ATOM 2104 CB SER A 130 16.646 12.399 -1.891 1.00 0.33 C ATOM 2105 OG SER A 130 16.533 13.668 -2.504 1.00 0.62 O ATOM 0 H SER A 130 16.982 10.044 -1.319 1.00 0.24 H new ATOM 0 HA SER A 130 16.743 11.431 -3.812 1.00 0.27 H new ATOM 0 HB2 SER A 130 15.662 12.045 -1.585 1.00 0.33 H new ATOM 0 HB3 SER A 130 17.253 12.475 -0.989 1.00 0.33 H new ATOM 0 HG SER A 130 17.184 13.738 -3.233 1.00 0.62 H new ATOM 2111 N LYS A 131 19.693 11.100 -2.516 1.00 0.32 N ATOM 2112 CA LYS A 131 21.112 11.246 -2.794 1.00 0.30 C ATOM 2113 C LYS A 131 21.466 10.298 -3.935 1.00 0.30 C ATOM 2114 O LYS A 131 22.236 10.663 -4.817 1.00 0.37 O ATOM 2115 CB LYS A 131 21.970 10.920 -1.554 1.00 0.33 C ATOM 2116 CG LYS A 131 22.100 12.064 -0.530 1.00 0.56 C ATOM 2117 CD LYS A 131 20.921 12.124 0.445 1.00 0.87 C ATOM 2118 CE LYS A 131 21.084 13.187 1.540 1.00 1.40 C ATOM 2119 NZ LYS A 131 21.786 12.676 2.737 1.00 2.33 N ATOM 0 H LYS A 131 19.494 10.421 -1.781 1.00 0.32 H new ATOM 0 HA LYS A 131 21.320 12.280 -3.068 1.00 0.30 H new ATOM 0 HB2 LYS A 131 21.542 10.052 -1.053 1.00 0.33 H new ATOM 0 HB3 LYS A 131 22.968 10.636 -1.887 1.00 0.33 H new ATOM 0 HG2 LYS A 131 23.025 11.938 0.033 1.00 0.56 H new ATOM 0 HG3 LYS A 131 22.176 13.013 -1.060 1.00 0.56 H new ATOM 0 HD2 LYS A 131 20.008 12.327 -0.114 1.00 0.87 H new ATOM 0 HD3 LYS A 131 20.797 11.148 0.913 1.00 0.87 H new ATOM 0 HE2 LYS A 131 21.636 14.036 1.136 1.00 1.40 H new ATOM 0 HE3 LYS A 131 20.100 13.555 1.831 1.00 1.40 H new ATOM 0 HZ1 LYS A 131 22.388 13.426 3.133 1.00 2.33 H new ATOM 0 HZ2 LYS A 131 21.088 12.381 3.449 1.00 2.33 H new ATOM 0 HZ3 LYS A 131 22.376 11.862 2.472 1.00 2.33 H new ATOM 2133 N ASP A 132 20.947 9.069 -3.902 1.00 0.27 N ATOM 2134 CA ASP A 132 21.396 8.013 -4.796 1.00 0.38 C ATOM 2135 C ASP A 132 20.256 7.044 -5.115 1.00 0.32 C ATOM 2136 O ASP A 132 20.181 5.910 -4.634 1.00 0.32 O ATOM 2137 CB ASP A 132 22.597 7.301 -4.176 1.00 0.51 C ATOM 2138 CG ASP A 132 23.326 6.442 -5.205 1.00 0.71 C ATOM 2139 OD1 ASP A 132 24.564 6.315 -5.045 1.00 2.02 O ATOM 2140 OD2 ASP A 132 22.650 5.879 -6.099 1.00 1.59 O ATOM 0 H ASP A 132 20.209 8.784 -3.258 1.00 0.27 H new ATOM 0 HA ASP A 132 21.709 8.449 -5.745 1.00 0.38 H new ATOM 0 HB2 ASP A 132 23.285 8.038 -3.762 1.00 0.51 H new ATOM 0 HB3 ASP A 132 22.264 6.675 -3.348 1.00 0.51 H new ATOM 2145 N ARG A 133 19.379 7.468 -6.027 1.00 0.31 N ATOM 2146 CA ARG A 133 18.294 6.611 -6.483 1.00 0.27 C ATOM 2147 C ARG A 133 18.807 5.299 -7.059 1.00 0.27 C ATOM 2148 O ARG A 133 18.022 4.362 -7.158 1.00 0.25 O ATOM 2149 CB ARG A 133 17.420 7.267 -7.558 1.00 0.37 C ATOM 2150 CG ARG A 133 16.787 8.600 -7.139 1.00 0.53 C ATOM 2151 CD ARG A 133 16.018 9.193 -8.327 1.00 1.55 C ATOM 2152 NE ARG A 133 14.850 9.975 -7.895 1.00 1.76 N ATOM 2153 CZ ARG A 133 14.082 10.735 -8.686 1.00 2.53 C ATOM 2154 NH1 ARG A 133 12.912 11.189 -8.235 1.00 3.50 N ATOM 2155 NH2 ARG A 133 14.475 11.025 -9.926 1.00 3.17 N ATOM 0 H ARG A 133 19.402 8.392 -6.458 1.00 0.31 H new ATOM 0 HA ARG A 133 17.697 6.431 -5.589 1.00 0.27 H new ATOM 0 HB2 ARG A 133 18.025 7.431 -8.450 1.00 0.37 H new ATOM 0 HB3 ARG A 133 16.626 6.574 -7.835 1.00 0.37 H new ATOM 0 HG2 ARG A 133 16.114 8.447 -6.296 1.00 0.53 H new ATOM 0 HG3 ARG A 133 17.559 9.294 -6.808 1.00 0.53 H new ATOM 0 HD2 ARG A 133 16.685 9.829 -8.909 1.00 1.55 H new ATOM 0 HD3 ARG A 133 15.691 8.388 -8.985 1.00 1.55 H new ATOM 0 HE ARG A 133 14.603 9.935 -6.906 1.00 1.76 H new ATOM 0 HH11 ARG A 133 12.605 10.957 -7.290 1.00 3.50 H new ATOM 0 HH12 ARG A 133 12.324 11.768 -8.835 1.00 3.50 H new ATOM 0 HH21 ARG A 133 15.364 10.668 -10.276 1.00 3.17 H new ATOM 0 HH22 ARG A 133 13.887 11.604 -10.525 1.00 3.17 H new ATOM 2169 N LYS A 134 20.065 5.203 -7.509 1.00 0.30 N ATOM 2170 CA LYS A 134 20.525 3.948 -8.081 1.00 0.30 C ATOM 2171 C LYS A 134 20.607 2.898 -6.993 1.00 0.30 C ATOM 2172 O LYS A 134 20.125 1.794 -7.225 1.00 0.32 O ATOM 2173 CB LYS A 134 21.855 4.092 -8.828 1.00 0.35 C ATOM 2174 CG LYS A 134 21.623 4.672 -10.236 1.00 0.53 C ATOM 2175 CD LYS A 134 21.046 3.625 -11.205 1.00 2.46 C ATOM 2176 CE LYS A 134 20.560 4.249 -12.520 1.00 3.01 C ATOM 2177 NZ LYS A 134 21.661 4.830 -13.318 1.00 3.44 N ATOM 0 H LYS A 134 20.755 5.954 -7.487 1.00 0.30 H new ATOM 0 HA LYS A 134 19.799 3.632 -8.830 1.00 0.30 H new ATOM 0 HB2 LYS A 134 22.526 4.742 -8.266 1.00 0.35 H new ATOM 0 HB3 LYS A 134 22.343 3.120 -8.904 1.00 0.35 H new ATOM 0 HG2 LYS A 134 20.941 5.520 -10.171 1.00 0.53 H new ATOM 0 HG3 LYS A 134 22.565 5.051 -10.631 1.00 0.53 H new ATOM 0 HD2 LYS A 134 21.808 2.876 -11.421 1.00 2.46 H new ATOM 0 HD3 LYS A 134 20.217 3.107 -10.724 1.00 2.46 H new ATOM 0 HE2 LYS A 134 20.050 3.488 -13.112 1.00 3.01 H new ATOM 0 HE3 LYS A 134 19.827 5.026 -12.300 1.00 3.01 H new ATOM 0 HZ1 LYS A 134 21.277 5.237 -14.195 1.00 3.44 H new ATOM 0 HZ2 LYS A 134 22.133 5.576 -12.767 1.00 3.44 H new ATOM 0 HZ3 LYS A 134 22.349 4.086 -13.554 1.00 3.44 H new ATOM 2191 N LYS A 135 21.152 3.206 -5.813 1.00 0.30 N ATOM 2192 CA LYS A 135 21.109 2.205 -4.749 1.00 0.31 C ATOM 2193 C LYS A 135 19.681 1.817 -4.426 1.00 0.29 C ATOM 2194 O LYS A 135 19.419 0.641 -4.252 1.00 0.34 O ATOM 2195 CB LYS A 135 21.805 2.643 -3.462 1.00 0.39 C ATOM 2196 CG LYS A 135 23.322 2.439 -3.559 1.00 0.49 C ATOM 2197 CD LYS A 135 24.051 3.760 -3.743 1.00 1.11 C ATOM 2198 CE LYS A 135 25.412 3.770 -3.051 1.00 1.48 C ATOM 2199 NZ LYS A 135 26.132 5.010 -3.404 1.00 2.86 N ATOM 0 H LYS A 135 21.604 4.090 -5.578 1.00 0.30 H new ATOM 0 HA LYS A 135 21.657 1.348 -5.142 1.00 0.31 H new ATOM 0 HB2 LYS A 135 21.588 3.693 -3.266 1.00 0.39 H new ATOM 0 HB3 LYS A 135 21.411 2.074 -2.620 1.00 0.39 H new ATOM 0 HG2 LYS A 135 23.682 1.946 -2.656 1.00 0.49 H new ATOM 0 HG3 LYS A 135 23.549 1.778 -4.395 1.00 0.49 H new ATOM 0 HD2 LYS A 135 24.185 3.954 -4.807 1.00 1.11 H new ATOM 0 HD3 LYS A 135 23.438 4.569 -3.347 1.00 1.11 H new ATOM 0 HE2 LYS A 135 25.283 3.706 -1.970 1.00 1.48 H new ATOM 0 HE3 LYS A 135 25.993 2.900 -3.355 1.00 1.48 H new ATOM 0 HZ1 LYS A 135 27.140 4.798 -3.544 1.00 2.86 H new ATOM 0 HZ2 LYS A 135 25.736 5.404 -4.281 1.00 2.86 H new ATOM 0 HZ3 LYS A 135 26.028 5.703 -2.635 1.00 2.86 H new ATOM 2213 N PHE A 136 18.748 2.759 -4.367 1.00 0.28 N ATOM 2214 CA PHE A 136 17.363 2.433 -4.048 1.00 0.28 C ATOM 2215 C PHE A 136 16.811 1.475 -5.096 1.00 0.26 C ATOM 2216 O PHE A 136 16.136 0.504 -4.772 1.00 0.27 O ATOM 2217 CB PHE A 136 16.528 3.716 -3.968 1.00 0.30 C ATOM 2218 CG PHE A 136 15.064 3.541 -4.325 1.00 0.80 C ATOM 2219 CD1 PHE A 136 14.119 3.194 -3.343 1.00 1.87 C ATOM 2220 CD2 PHE A 136 14.649 3.750 -5.655 1.00 2.47 C ATOM 2221 CE1 PHE A 136 12.760 3.083 -3.687 1.00 2.15 C ATOM 2222 CE2 PHE A 136 13.293 3.636 -5.999 1.00 3.02 C ATOM 2223 CZ PHE A 136 12.348 3.316 -5.012 1.00 2.18 C ATOM 0 H PHE A 136 18.923 3.750 -4.535 1.00 0.28 H new ATOM 0 HA PHE A 136 17.314 1.942 -3.076 1.00 0.28 H new ATOM 0 HB2 PHE A 136 16.596 4.116 -2.956 1.00 0.30 H new ATOM 0 HB3 PHE A 136 16.964 4.460 -4.635 1.00 0.30 H new ATOM 0 HD1 PHE A 136 14.436 3.013 -2.327 1.00 1.87 H new ATOM 0 HD2 PHE A 136 15.377 3.999 -6.413 1.00 2.47 H new ATOM 0 HE1 PHE A 136 12.032 2.819 -2.934 1.00 2.15 H new ATOM 0 HE2 PHE A 136 12.978 3.794 -7.020 1.00 3.02 H new ATOM 0 HZ PHE A 136 11.302 3.248 -5.270 1.00 2.18 H new ATOM 2233 N CYS A 137 17.079 1.766 -6.366 1.00 0.25 N ATOM 2234 CA CYS A 137 16.513 1.041 -7.480 1.00 0.25 C ATOM 2235 C CYS A 137 17.053 -0.395 -7.480 1.00 0.24 C ATOM 2236 O CYS A 137 16.309 -1.360 -7.633 1.00 0.26 O ATOM 2237 CB CYS A 137 16.839 1.787 -8.778 1.00 0.30 C ATOM 2238 SG CYS A 137 15.829 1.114 -10.126 1.00 1.57 S ATOM 0 H CYS A 137 17.704 2.522 -6.645 1.00 0.25 H new ATOM 0 HA CYS A 137 15.428 0.981 -7.394 1.00 0.25 H new ATOM 0 HB2 CYS A 137 16.642 2.852 -8.658 1.00 0.30 H new ATOM 0 HB3 CYS A 137 17.898 1.683 -9.015 1.00 0.30 H new ATOM 0 HG CYS A 137 16.101 1.746 -11.229 1.00 1.57 H new ATOM 2244 N LYS A 138 18.369 -0.543 -7.310 1.00 0.25 N ATOM 2245 CA LYS A 138 19.015 -1.859 -7.370 1.00 0.27 C ATOM 2246 C LYS A 138 18.668 -2.663 -6.121 1.00 0.27 C ATOM 2247 O LYS A 138 18.314 -3.835 -6.210 1.00 0.29 O ATOM 2248 CB LYS A 138 20.537 -1.704 -7.492 1.00 0.32 C ATOM 2249 CG LYS A 138 21.011 -1.060 -8.804 1.00 0.91 C ATOM 2250 CD LYS A 138 20.716 -1.891 -10.060 1.00 1.07 C ATOM 2251 CE LYS A 138 19.452 -1.393 -10.768 1.00 2.09 C ATOM 2252 NZ LYS A 138 19.317 -1.984 -12.115 1.00 3.30 N ATOM 0 H LYS A 138 19.009 0.231 -7.130 1.00 0.25 H new ATOM 0 HA LYS A 138 18.650 -2.390 -8.249 1.00 0.27 H new ATOM 0 HB2 LYS A 138 20.896 -1.102 -6.657 1.00 0.32 H new ATOM 0 HB3 LYS A 138 20.998 -2.687 -7.398 1.00 0.32 H new ATOM 0 HG2 LYS A 138 20.536 -0.085 -8.908 1.00 0.91 H new ATOM 0 HG3 LYS A 138 22.085 -0.886 -8.742 1.00 0.91 H new ATOM 0 HD2 LYS A 138 21.564 -1.837 -10.743 1.00 1.07 H new ATOM 0 HD3 LYS A 138 20.594 -2.939 -9.786 1.00 1.07 H new ATOM 0 HE2 LYS A 138 18.576 -1.644 -10.170 1.00 2.09 H new ATOM 0 HE3 LYS A 138 19.483 -0.306 -10.848 1.00 2.09 H new ATOM 0 HZ1 LYS A 138 19.205 -1.225 -12.817 1.00 3.30 H new ATOM 0 HZ2 LYS A 138 20.168 -2.539 -12.337 1.00 3.30 H new ATOM 0 HZ3 LYS A 138 18.483 -2.604 -12.140 1.00 3.30 H new ATOM 2266 N ASN A 139 18.744 -2.017 -4.959 1.00 0.28 N ATOM 2267 CA ASN A 139 18.295 -2.563 -3.689 1.00 0.29 C ATOM 2268 C ASN A 139 16.908 -3.143 -3.872 1.00 0.29 C ATOM 2269 O ASN A 139 16.670 -4.263 -3.449 1.00 0.34 O ATOM 2270 CB ASN A 139 18.242 -1.497 -2.581 1.00 0.36 C ATOM 2271 CG ASN A 139 19.593 -1.179 -1.950 1.00 0.48 C ATOM 2272 OD1 ASN A 139 20.550 -1.927 -2.111 1.00 1.17 O ATOM 2273 ND2 ASN A 139 19.681 -0.094 -1.188 1.00 0.73 N ATOM 0 H ASN A 139 19.130 -1.076 -4.877 1.00 0.28 H new ATOM 0 HA ASN A 139 19.010 -3.327 -3.383 1.00 0.29 H new ATOM 0 HB2 ASN A 139 17.823 -0.580 -2.995 1.00 0.36 H new ATOM 0 HB3 ASN A 139 17.560 -1.835 -1.800 1.00 0.36 H new ATOM 0 HD21 ASN A 139 20.560 0.132 -0.722 1.00 0.73 H new ATOM 0 HD22 ASN A 139 18.870 0.513 -1.070 1.00 0.73 H new ATOM 2280 N ALA A 140 15.997 -2.389 -4.485 1.00 0.29 N ATOM 2281 CA ALA A 140 14.630 -2.821 -4.689 1.00 0.29 C ATOM 2282 C ALA A 140 14.562 -4.060 -5.573 1.00 0.27 C ATOM 2283 O ALA A 140 13.828 -4.969 -5.231 1.00 0.28 O ATOM 2284 CB ALA A 140 13.790 -1.689 -5.267 1.00 0.29 C ATOM 0 H ALA A 140 16.195 -1.458 -4.853 1.00 0.29 H new ATOM 0 HA ALA A 140 14.217 -3.092 -3.717 1.00 0.29 H new ATOM 0 HB1 ALA A 140 12.766 -2.034 -5.413 1.00 0.29 H new ATOM 0 HB2 ALA A 140 13.794 -0.845 -4.578 1.00 0.29 H new ATOM 0 HB3 ALA A 140 14.208 -1.378 -6.224 1.00 0.29 H new ATOM 2290 N GLU A 141 15.283 -4.134 -6.694 1.00 0.29 N ATOM 2291 CA GLU A 141 15.319 -5.342 -7.521 1.00 0.32 C ATOM 2292 C GLU A 141 15.563 -6.581 -6.664 1.00 0.30 C ATOM 2293 O GLU A 141 14.878 -7.595 -6.806 1.00 0.35 O ATOM 2294 CB GLU A 141 16.397 -5.227 -8.611 1.00 0.46 C ATOM 2295 CG GLU A 141 15.926 -4.430 -9.826 1.00 1.10 C ATOM 2296 CD GLU A 141 16.887 -4.554 -11.006 1.00 0.89 C ATOM 2297 OE1 GLU A 141 17.039 -5.680 -11.526 1.00 1.88 O ATOM 2298 OE2 GLU A 141 17.439 -3.509 -11.409 1.00 1.68 O ATOM 0 H GLU A 141 15.853 -3.367 -7.051 1.00 0.29 H new ATOM 0 HA GLU A 141 14.348 -5.444 -8.005 1.00 0.32 H new ATOM 0 HB2 GLU A 141 17.283 -4.751 -8.191 1.00 0.46 H new ATOM 0 HB3 GLU A 141 16.693 -6.226 -8.930 1.00 0.46 H new ATOM 0 HG2 GLU A 141 14.938 -4.779 -10.126 1.00 1.10 H new ATOM 0 HG3 GLU A 141 15.824 -3.380 -9.552 1.00 1.10 H new ATOM 2305 N GLU A 142 16.539 -6.494 -5.764 1.00 0.28 N ATOM 2306 CA GLU A 142 16.868 -7.616 -4.908 1.00 0.29 C ATOM 2307 C GLU A 142 15.785 -7.832 -3.862 1.00 0.29 C ATOM 2308 O GLU A 142 15.357 -8.960 -3.671 1.00 0.33 O ATOM 2309 CB GLU A 142 18.229 -7.388 -4.224 1.00 0.34 C ATOM 2310 CG GLU A 142 19.338 -8.278 -4.804 1.00 0.67 C ATOM 2311 CD GLU A 142 19.955 -9.158 -3.714 1.00 1.49 C ATOM 2312 OE1 GLU A 142 19.244 -10.073 -3.239 1.00 2.49 O ATOM 2313 OE2 GLU A 142 21.114 -8.911 -3.321 1.00 1.93 O ATOM 0 H GLU A 142 17.109 -5.662 -5.614 1.00 0.28 H new ATOM 0 HA GLU A 142 16.931 -8.510 -5.528 1.00 0.29 H new ATOM 0 HB2 GLU A 142 18.515 -6.342 -4.331 1.00 0.34 H new ATOM 0 HB3 GLU A 142 18.132 -7.584 -3.156 1.00 0.34 H new ATOM 0 HG2 GLU A 142 18.930 -8.905 -5.596 1.00 0.67 H new ATOM 0 HG3 GLU A 142 20.111 -7.656 -5.256 1.00 0.67 H new ATOM 2320 N PHE A 143 15.352 -6.778 -3.169 1.00 0.29 N ATOM 2321 CA PHE A 143 14.434 -6.861 -2.030 1.00 0.31 C ATOM 2322 C PHE A 143 13.125 -7.494 -2.474 1.00 0.26 C ATOM 2323 O PHE A 143 12.590 -8.396 -1.828 1.00 0.26 O ATOM 2324 CB PHE A 143 14.190 -5.467 -1.433 1.00 0.38 C ATOM 2325 CG PHE A 143 14.478 -5.356 0.051 1.00 1.00 C ATOM 2326 CD1 PHE A 143 13.556 -4.718 0.900 1.00 0.95 C ATOM 2327 CD2 PHE A 143 15.716 -5.787 0.565 1.00 2.02 C ATOM 2328 CE1 PHE A 143 13.869 -4.520 2.255 1.00 1.74 C ATOM 2329 CE2 PHE A 143 16.021 -5.599 1.925 1.00 2.80 C ATOM 2330 CZ PHE A 143 15.097 -4.962 2.770 1.00 2.62 C ATOM 0 H PHE A 143 15.635 -5.823 -3.388 1.00 0.29 H new ATOM 0 HA PHE A 143 14.881 -7.484 -1.256 1.00 0.31 H new ATOM 0 HB2 PHE A 143 14.810 -4.745 -1.965 1.00 0.38 H new ATOM 0 HB3 PHE A 143 13.151 -5.187 -1.610 1.00 0.38 H new ATOM 0 HD1 PHE A 143 12.607 -4.380 0.510 1.00 0.95 H new ATOM 0 HD2 PHE A 143 16.433 -6.263 -0.087 1.00 2.02 H new ATOM 0 HE1 PHE A 143 13.161 -4.025 2.903 1.00 1.74 H new ATOM 0 HE2 PHE A 143 16.965 -5.944 2.320 1.00 2.80 H new ATOM 0 HZ PHE A 143 15.331 -4.813 3.814 1.00 2.62 H new ATOM 2340 N THR A 144 12.648 -7.032 -3.624 1.00 0.24 N ATOM 2341 CA THR A 144 11.563 -7.619 -4.365 1.00 0.24 C ATOM 2342 C THR A 144 11.796 -9.129 -4.506 1.00 0.27 C ATOM 2343 O THR A 144 10.927 -9.914 -4.153 1.00 0.28 O ATOM 2344 CB THR A 144 11.432 -6.875 -5.699 1.00 0.27 C ATOM 2345 OG1 THR A 144 11.016 -5.544 -5.472 1.00 0.30 O ATOM 2346 CG2 THR A 144 10.377 -7.529 -6.566 1.00 0.29 C ATOM 0 H THR A 144 13.031 -6.202 -4.076 1.00 0.24 H new ATOM 0 HA THR A 144 10.610 -7.513 -3.846 1.00 0.24 H new ATOM 0 HB THR A 144 12.404 -6.902 -6.191 1.00 0.27 H new ATOM 0 HG1 THR A 144 11.800 -4.979 -5.312 1.00 0.30 H new ATOM 0 HG21 THR A 144 10.296 -6.989 -7.510 1.00 0.29 H new ATOM 0 HG22 THR A 144 10.658 -8.564 -6.763 1.00 0.29 H new ATOM 0 HG23 THR A 144 9.417 -7.505 -6.051 1.00 0.29 H new ATOM 2354 N LYS A 145 12.962 -9.572 -4.977 1.00 0.33 N ATOM 2355 CA LYS A 145 13.260 -11.007 -5.006 1.00 0.48 C ATOM 2356 C LYS A 145 13.377 -11.665 -3.624 1.00 0.52 C ATOM 2357 O LYS A 145 13.125 -12.863 -3.535 1.00 0.67 O ATOM 2358 CB LYS A 145 14.509 -11.290 -5.857 1.00 0.66 C ATOM 2359 CG LYS A 145 14.064 -11.773 -7.240 1.00 1.53 C ATOM 2360 CD LYS A 145 15.237 -11.894 -8.219 1.00 2.49 C ATOM 2361 CE LYS A 145 16.008 -13.206 -8.034 1.00 2.44 C ATOM 2362 NZ LYS A 145 15.255 -14.369 -8.556 1.00 3.57 N ATOM 0 H LYS A 145 13.704 -8.972 -5.338 1.00 0.33 H new ATOM 0 HA LYS A 145 12.391 -11.472 -5.471 1.00 0.48 H new ATOM 0 HB2 LYS A 145 15.115 -10.389 -5.949 1.00 0.66 H new ATOM 0 HB3 LYS A 145 15.131 -12.045 -5.376 1.00 0.66 H new ATOM 0 HG2 LYS A 145 13.573 -12.741 -7.144 1.00 1.53 H new ATOM 0 HG3 LYS A 145 13.326 -11.080 -7.644 1.00 1.53 H new ATOM 0 HD2 LYS A 145 14.863 -11.834 -9.241 1.00 2.49 H new ATOM 0 HD3 LYS A 145 15.915 -11.052 -8.078 1.00 2.49 H new ATOM 0 HE2 LYS A 145 16.969 -13.137 -8.544 1.00 2.44 H new ATOM 0 HE3 LYS A 145 16.219 -13.356 -6.975 1.00 2.44 H new ATOM 0 HZ1 LYS A 145 15.873 -15.206 -8.568 1.00 3.57 H new ATOM 0 HZ2 LYS A 145 14.434 -14.554 -7.945 1.00 3.57 H new ATOM 0 HZ3 LYS A 145 14.929 -14.166 -9.522 1.00 3.57 H new ATOM 2376 N LYS A 146 13.797 -10.968 -2.560 1.00 0.46 N ATOM 2377 CA LYS A 146 13.938 -11.581 -1.243 1.00 0.49 C ATOM 2378 C LYS A 146 12.562 -11.969 -0.717 1.00 0.41 C ATOM 2379 O LYS A 146 12.321 -13.127 -0.396 1.00 0.43 O ATOM 2380 CB LYS A 146 14.618 -10.646 -0.219 1.00 0.60 C ATOM 2381 CG LYS A 146 16.007 -10.102 -0.567 1.00 0.93 C ATOM 2382 CD LYS A 146 17.050 -11.162 -0.932 1.00 1.40 C ATOM 2383 CE LYS A 146 18.341 -10.873 -0.153 1.00 1.48 C ATOM 2384 NZ LYS A 146 19.540 -11.447 -0.798 1.00 2.55 N ATOM 0 H LYS A 146 14.044 -9.979 -2.591 1.00 0.46 H new ATOM 0 HA LYS A 146 14.574 -12.458 -1.364 1.00 0.49 H new ATOM 0 HB2 LYS A 146 13.957 -9.796 -0.050 1.00 0.60 H new ATOM 0 HB3 LYS A 146 14.695 -11.183 0.727 1.00 0.60 H new ATOM 0 HG2 LYS A 146 15.909 -9.409 -1.402 1.00 0.93 H new ATOM 0 HG3 LYS A 146 16.378 -9.528 0.282 1.00 0.93 H new ATOM 0 HD2 LYS A 146 16.678 -12.157 -0.690 1.00 1.40 H new ATOM 0 HD3 LYS A 146 17.245 -11.147 -2.004 1.00 1.40 H new ATOM 0 HE2 LYS A 146 18.467 -9.795 -0.056 1.00 1.48 H new ATOM 0 HE3 LYS A 146 18.249 -11.275 0.856 1.00 1.48 H new ATOM 0 HZ1 LYS A 146 20.381 -11.221 -0.230 1.00 2.55 H new ATOM 0 HZ2 LYS A 146 19.436 -12.479 -0.868 1.00 2.55 H new ATOM 0 HZ3 LYS A 146 19.648 -11.045 -1.751 1.00 2.55 H new ATOM 2398 N TYR A 147 11.704 -10.966 -0.522 1.00 0.39 N ATOM 2399 CA TYR A 147 10.395 -11.116 0.099 1.00 0.34 C ATOM 2400 C TYR A 147 9.268 -10.596 -0.785 1.00 0.26 C ATOM 2401 O TYR A 147 8.114 -10.904 -0.507 1.00 0.31 O ATOM 2402 CB TYR A 147 10.347 -10.380 1.439 1.00 0.53 C ATOM 2403 CG TYR A 147 10.518 -11.300 2.620 1.00 0.60 C ATOM 2404 CD1 TYR A 147 11.697 -12.051 2.742 1.00 1.72 C ATOM 2405 CD2 TYR A 147 9.481 -11.452 3.561 1.00 2.06 C ATOM 2406 CE1 TYR A 147 11.839 -12.973 3.788 1.00 1.77 C ATOM 2407 CE2 TYR A 147 9.628 -12.356 4.624 1.00 2.09 C ATOM 2408 CZ TYR A 147 10.807 -13.125 4.743 1.00 0.77 C ATOM 2409 OH TYR A 147 10.930 -14.010 5.771 1.00 0.90 O ATOM 0 H TYR A 147 11.909 -10.006 -0.799 1.00 0.39 H new ATOM 0 HA TYR A 147 10.247 -12.185 0.250 1.00 0.34 H new ATOM 0 HB2 TYR A 147 11.130 -9.622 1.459 1.00 0.53 H new ATOM 0 HB3 TYR A 147 9.394 -9.858 1.527 1.00 0.53 H new ATOM 0 HD1 TYR A 147 12.497 -11.918 2.028 1.00 1.72 H new ATOM 0 HD2 TYR A 147 8.574 -10.874 3.464 1.00 2.06 H new ATOM 0 HE1 TYR A 147 12.737 -13.568 3.865 1.00 1.77 H new ATOM 0 HE2 TYR A 147 8.838 -12.464 5.353 1.00 2.09 H new ATOM 0 HH TYR A 147 10.124 -13.978 6.328 1.00 0.90 H new ATOM 2419 N GLY A 148 9.559 -9.729 -1.759 1.00 0.25 N ATOM 2420 CA GLY A 148 8.529 -9.132 -2.592 1.00 0.23 C ATOM 2421 C GLY A 148 7.660 -10.207 -3.224 1.00 0.22 C ATOM 2422 O GLY A 148 8.116 -11.298 -3.561 1.00 0.25 O ATOM 0 H GLY A 148 10.507 -9.428 -1.985 1.00 0.25 H new ATOM 0 HA2 GLY A 148 7.911 -8.464 -1.992 1.00 0.23 H new ATOM 0 HA3 GLY A 148 8.991 -8.526 -3.371 1.00 0.23 H new ATOM 2426 N GLU A 149 6.376 -9.902 -3.358 1.00 0.22 N ATOM 2427 CA GLU A 149 5.414 -10.874 -3.821 1.00 0.21 C ATOM 2428 C GLU A 149 5.667 -11.168 -5.288 1.00 0.25 C ATOM 2429 O GLU A 149 6.175 -10.338 -6.038 1.00 0.32 O ATOM 2430 CB GLU A 149 4.016 -10.306 -3.617 1.00 0.28 C ATOM 2431 CG GLU A 149 2.860 -11.289 -3.793 1.00 1.03 C ATOM 2432 CD GLU A 149 3.064 -12.597 -3.037 1.00 0.56 C ATOM 2433 OE1 GLU A 149 3.520 -13.561 -3.695 1.00 1.52 O ATOM 2434 OE2 GLU A 149 2.771 -12.606 -1.823 1.00 1.29 O ATOM 0 H GLU A 149 5.983 -8.984 -3.150 1.00 0.22 H new ATOM 0 HA GLU A 149 5.507 -11.805 -3.262 1.00 0.21 H new ATOM 0 HB2 GLU A 149 3.959 -9.886 -2.613 1.00 0.28 H new ATOM 0 HB3 GLU A 149 3.875 -9.482 -4.316 1.00 0.28 H new ATOM 0 HG2 GLU A 149 1.937 -10.820 -3.452 1.00 1.03 H new ATOM 0 HG3 GLU A 149 2.734 -11.506 -4.854 1.00 1.03 H new ATOM 2441 N LYS A 150 5.263 -12.343 -5.738 1.00 0.32 N ATOM 2442 CA LYS A 150 5.404 -12.650 -7.147 1.00 0.40 C ATOM 2443 C LYS A 150 4.267 -11.948 -7.878 1.00 0.39 C ATOM 2444 O LYS A 150 3.113 -12.363 -7.802 1.00 0.52 O ATOM 2445 CB LYS A 150 5.488 -14.163 -7.373 1.00 0.58 C ATOM 2446 CG LYS A 150 4.204 -14.920 -7.031 1.00 1.60 C ATOM 2447 CD LYS A 150 4.498 -16.414 -6.877 1.00 2.02 C ATOM 2448 CE LYS A 150 3.196 -17.213 -6.941 1.00 3.38 C ATOM 2449 NZ LYS A 150 2.212 -16.737 -5.944 1.00 4.81 N ATOM 0 H LYS A 150 4.847 -13.079 -5.167 1.00 0.32 H new ATOM 0 HA LYS A 150 6.342 -12.276 -7.557 1.00 0.40 H new ATOM 0 HB2 LYS A 150 5.739 -14.350 -8.417 1.00 0.58 H new ATOM 0 HB3 LYS A 150 6.304 -14.564 -6.772 1.00 0.58 H new ATOM 0 HG2 LYS A 150 3.777 -14.529 -6.108 1.00 1.60 H new ATOM 0 HG3 LYS A 150 3.463 -14.766 -7.815 1.00 1.60 H new ATOM 0 HD2 LYS A 150 5.175 -16.743 -7.665 1.00 2.02 H new ATOM 0 HD3 LYS A 150 5.001 -16.598 -5.928 1.00 2.02 H new ATOM 0 HE2 LYS A 150 2.769 -17.133 -7.941 1.00 3.38 H new ATOM 0 HE3 LYS A 150 3.408 -18.268 -6.768 1.00 3.38 H new ATOM 0 HZ1 LYS A 150 1.457 -17.444 -5.837 1.00 4.81 H new ATOM 0 HZ2 LYS A 150 2.686 -16.595 -5.029 1.00 4.81 H new ATOM 0 HZ3 LYS A 150 1.801 -15.837 -6.264 1.00 4.81 H new ATOM 2463 N ARG A 151 4.581 -10.852 -8.575 1.00 0.35 N ATOM 2464 CA ARG A 151 3.582 -10.180 -9.396 1.00 0.34 C ATOM 2465 C ARG A 151 3.032 -11.171 -10.429 1.00 0.45 C ATOM 2466 O ARG A 151 3.704 -12.161 -10.739 1.00 0.61 O ATOM 2467 CB ARG A 151 4.133 -8.864 -9.984 1.00 0.42 C ATOM 2468 CG ARG A 151 4.895 -8.899 -11.320 1.00 0.79 C ATOM 2469 CD ARG A 151 6.266 -9.575 -11.237 1.00 1.18 C ATOM 2470 NE ARG A 151 6.137 -11.034 -11.297 1.00 2.07 N ATOM 2471 CZ ARG A 151 6.299 -11.801 -12.378 1.00 2.33 C ATOM 2472 NH1 ARG A 151 5.828 -13.048 -12.355 1.00 3.39 N ATOM 2473 NH2 ARG A 151 6.910 -11.334 -13.467 1.00 2.45 N ATOM 0 H ARG A 151 5.505 -10.420 -8.585 1.00 0.35 H new ATOM 0 HA ARG A 151 2.735 -9.865 -8.787 1.00 0.34 H new ATOM 0 HB2 ARG A 151 3.292 -8.181 -10.104 1.00 0.42 H new ATOM 0 HB3 ARG A 151 4.797 -8.425 -9.239 1.00 0.42 H new ATOM 0 HG2 ARG A 151 4.288 -9.421 -12.059 1.00 0.79 H new ATOM 0 HG3 ARG A 151 5.026 -7.878 -11.679 1.00 0.79 H new ATOM 0 HD2 ARG A 151 6.897 -9.228 -12.056 1.00 1.18 H new ATOM 0 HD3 ARG A 151 6.761 -9.288 -10.309 1.00 1.18 H new ATOM 0 HE ARG A 151 5.900 -11.510 -10.427 1.00 2.07 H new ATOM 0 HH11 ARG A 151 5.355 -13.399 -11.522 1.00 3.39 H new ATOM 0 HH12 ARG A 151 5.941 -13.651 -13.170 1.00 3.39 H new ATOM 0 HH21 ARG A 151 7.262 -10.377 -13.483 1.00 2.45 H new ATOM 0 HH22 ARG A 151 7.025 -11.934 -14.284 1.00 2.45 H new