USER MOD reduce.3.24.130724 H: found=0, std=0, add=1370, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1371 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 134 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 188 HIS : no HE2:sc= -0.322 K(o=-0.32,f=-1.9!) USER MOD Set 2.1: A 113 MET CE :methyl -169:sc= -0.0186 (180deg=-0.232) USER MOD Set 2.2: A 124 HIS : no HD1:sc= -0.191 X(o=-0.21,f=-0.46) USER MOD Set 3.1: A 109 THR OG1 : rot 180:sc= 0.274 USER MOD Set 3.2: A 176 HIS : no HE2:sc= -3.43 K(o=-3.2,f=-8.9!) USER MOD Set 4.1: A 84 LYS NZ :NH3+ 151:sc= -0.0564 (180deg=-0.401) USER MOD Set 4.2: A 105 SER OG : rot 140:sc= -0.4 USER MOD Set 5.1: A 29 CYS SG : rot 180:sc= 1.42 USER MOD Set 5.2: A 81 TYR OH : rot 14:sc= 1.37 USER MOD Set 6.1: A 5 SER OG : rot 87:sc= 1.24 USER MOD Set 6.2: A 75 ASN : amide:sc= 0.876 K(o=2.1,f=-3.5) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0.0115 USER MOD Single : A 12 ASN : amide:sc= 0.111 K(o=0.11,f=-4.8!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 174:sc= -2.37 (180deg=-2.5!) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 22 SER OG : rot 180:sc= 0.16 USER MOD Single : A 23 THR OG1 : rot 91:sc= -0.0568 USER MOD Single : A 24 MET CE :methyl 178:sc= -0.392 (180deg=-0.407) USER MOD Single : A 26 TYR OH : rot -156:sc= 0.0504 USER MOD Single : A 31 MET CE :methyl 168:sc= -2.28! (180deg=-2.51) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot -28:sc= 0.258 USER MOD Single : A 57 LYS NZ :NH3+ -169:sc= -0.0226 (180deg=-0.211) USER MOD Single : A 58 LYS NZ :NH3+ -159:sc= 1.28 (180deg=1.16) USER MOD Single : A 66 LYS NZ :NH3+ 155:sc= 0.0286! (180deg=-3.05!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -156:sc= -0.209 (180deg=-0.831) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl 149:sc= -1.55 (180deg=-4.51!) USER MOD Single : A 83 LYS NZ :NH3+ -153:sc= 1.31 (180deg=1.2) USER MOD Single : A 85 GLN : amide:sc= 0.276 K(o=0.28,f=-0.4) USER MOD Single : A 89 LYS NZ :NH3+ -107:sc= 0.67 (180deg=0.287) USER MOD Single : A 92 MET CE :methyl 158:sc= -2.84! (180deg=-3.73!) USER MOD Single : A 96 THR OG1 : rot 129:sc= 1.18 USER MOD Single : A 98 LYS NZ :NH3+ -122:sc= -6.85! (180deg=-8.13!) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl 151:sc= -1.75 (180deg=-3.46!) USER MOD Single : A 106 LYS NZ :NH3+ -156:sc= 0.514 (180deg=0.191) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.0402 USER MOD Single : A 111 MET CE :methyl 162:sc= -2.86 (180deg=-5.65!) USER MOD Single : A 114 THR OG1 : rot 77:sc= 1.26 USER MOD Single : A 116 CYS SG : rot -67:sc= -0.622! USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 ASN : amide:sc= 1.19 K(o=1.2,f=-1.1) USER MOD Single : A 127 TYR OH : rot 175:sc= 0 USER MOD Single : A 128 SER OG : rot -110:sc= -1.24 USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 LYS NZ :NH3+ -142:sc= 1.17 (180deg=0.715) USER MOD Single : A 172 ASN : amide:sc= -2.32! C(o=-2.3!,f=-1.4!) USER MOD Single : A 179 THR OG1 : rot 49:sc= 0.0692 USER MOD Single : A 183 GLN : amide:sc= -4.93! C(o=-4.9!,f=-11!) USER MOD Single : A 190 THR OG1 : rot 180:sc= 0 USER MOD Single : A 196 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 106 N VAL A 2 -29.709 1.194 6.731 1.00 1.00 N ATOM 107 CA VAL A 2 -28.438 0.877 7.349 1.00 0.98 C ATOM 108 C VAL A 2 -27.468 0.413 6.272 1.00 0.79 C ATOM 109 O VAL A 2 -27.008 -0.725 6.257 1.00 0.92 O ATOM 110 CB VAL A 2 -28.564 -0.193 8.461 1.00 1.21 C ATOM 111 CG1 VAL A 2 -29.337 0.353 9.652 1.00 1.56 C ATOM 112 CG2 VAL A 2 -29.227 -1.455 7.932 1.00 1.32 C ATOM 0 HA VAL A 2 -28.064 1.780 7.832 1.00 0.98 H new ATOM 0 HB VAL A 2 -27.557 -0.450 8.791 1.00 1.21 H new ATOM 0 HG11 VAL A 2 -29.413 -0.416 10.420 1.00 1.56 H new ATOM 0 HG12 VAL A 2 -28.816 1.220 10.057 1.00 1.56 H new ATOM 0 HG13 VAL A 2 -30.337 0.647 9.333 1.00 1.56 H new ATOM 0 HG21 VAL A 2 -29.303 -2.190 8.734 1.00 1.32 H new ATOM 0 HG22 VAL A 2 -30.225 -1.215 7.564 1.00 1.32 H new ATOM 0 HG23 VAL A 2 -28.629 -1.866 7.118 1.00 1.32 H new ATOM 122 N ALA A 3 -27.202 1.297 5.336 1.00 0.66 N ATOM 123 CA ALA A 3 -26.274 1.009 4.265 1.00 0.55 C ATOM 124 C ALA A 3 -25.444 2.232 3.966 1.00 0.60 C ATOM 125 O ALA A 3 -25.929 3.361 4.045 1.00 1.10 O ATOM 126 CB ALA A 3 -27.006 0.541 3.017 1.00 0.63 C ATOM 0 H ALA A 3 -27.618 2.227 5.295 1.00 0.66 H new ATOM 0 HA ALA A 3 -25.616 0.201 4.585 1.00 0.55 H new ATOM 0 HB1 ALA A 3 -26.283 0.332 2.228 1.00 0.63 H new ATOM 0 HB2 ALA A 3 -27.569 -0.365 3.243 1.00 0.63 H new ATOM 0 HB3 ALA A 3 -27.692 1.320 2.684 1.00 0.63 H new ATOM 132 N LEU A 4 -24.206 1.992 3.608 1.00 0.45 N ATOM 133 CA LEU A 4 -23.249 3.048 3.346 1.00 0.41 C ATOM 134 C LEU A 4 -23.003 3.147 1.854 1.00 0.39 C ATOM 135 O LEU A 4 -22.645 2.161 1.218 1.00 0.38 O ATOM 136 CB LEU A 4 -21.928 2.769 4.074 1.00 0.41 C ATOM 137 CG LEU A 4 -21.802 3.336 5.494 1.00 0.56 C ATOM 138 CD1 LEU A 4 -23.003 2.989 6.348 1.00 1.16 C ATOM 139 CD2 LEU A 4 -20.533 2.821 6.146 1.00 1.46 C ATOM 0 H LEU A 4 -23.828 1.052 3.488 1.00 0.45 H new ATOM 0 HA LEU A 4 -23.654 3.991 3.713 1.00 0.41 H new ATOM 0 HB2 LEU A 4 -21.785 1.689 4.123 1.00 0.41 H new ATOM 0 HB3 LEU A 4 -21.114 3.171 3.471 1.00 0.41 H new ATOM 0 HG LEU A 4 -21.757 4.422 5.415 1.00 0.56 H new ATOM 0 HD11 LEU A 4 -22.874 3.409 7.345 1.00 1.16 H new ATOM 0 HD12 LEU A 4 -23.904 3.402 5.894 1.00 1.16 H new ATOM 0 HD13 LEU A 4 -23.097 1.905 6.420 1.00 1.16 H new ATOM 0 HD21 LEU A 4 -20.451 3.228 7.154 1.00 1.46 H new ATOM 0 HD22 LEU A 4 -20.565 1.733 6.196 1.00 1.46 H new ATOM 0 HD23 LEU A 4 -19.670 3.132 5.558 1.00 1.46 H new ATOM 151 N SER A 5 -23.184 4.330 1.306 1.00 0.41 N ATOM 152 CA SER A 5 -22.981 4.536 -0.114 1.00 0.42 C ATOM 153 C SER A 5 -21.536 4.941 -0.343 1.00 0.37 C ATOM 154 O SER A 5 -21.157 6.093 -0.114 1.00 0.42 O ATOM 155 CB SER A 5 -23.943 5.595 -0.656 1.00 0.51 C ATOM 156 OG SER A 5 -25.292 5.214 -0.441 1.00 1.28 O ATOM 0 H SER A 5 -23.471 5.163 1.820 1.00 0.41 H new ATOM 0 HA SER A 5 -23.188 3.611 -0.652 1.00 0.42 H new ATOM 0 HB2 SER A 5 -23.749 6.551 -0.169 1.00 0.51 H new ATOM 0 HB3 SER A 5 -23.768 5.739 -1.722 1.00 0.51 H new ATOM 0 HG SER A 5 -25.578 5.511 0.448 1.00 1.28 H new ATOM 162 N LEU A 6 -20.725 3.980 -0.758 1.00 0.31 N ATOM 163 CA LEU A 6 -19.295 4.186 -0.832 1.00 0.28 C ATOM 164 C LEU A 6 -18.836 4.279 -2.276 1.00 0.28 C ATOM 165 O LEU A 6 -19.252 3.490 -3.130 1.00 0.31 O ATOM 166 CB LEU A 6 -18.561 3.045 -0.118 1.00 0.26 C ATOM 167 CG LEU A 6 -18.977 2.817 1.337 1.00 0.33 C ATOM 168 CD1 LEU A 6 -18.172 1.690 1.959 1.00 0.61 C ATOM 169 CD2 LEU A 6 -18.812 4.093 2.145 1.00 0.62 C ATOM 0 H LEU A 6 -21.036 3.053 -1.047 1.00 0.31 H new ATOM 0 HA LEU A 6 -19.058 5.128 -0.336 1.00 0.28 H new ATOM 0 HB2 LEU A 6 -18.725 2.123 -0.676 1.00 0.26 H new ATOM 0 HB3 LEU A 6 -17.490 3.248 -0.146 1.00 0.26 H new ATOM 0 HG LEU A 6 -20.029 2.532 1.348 1.00 0.33 H new ATOM 0 HD11 LEU A 6 -18.485 1.547 2.993 1.00 0.61 H new ATOM 0 HD12 LEU A 6 -18.340 0.771 1.398 1.00 0.61 H new ATOM 0 HD13 LEU A 6 -17.112 1.943 1.933 1.00 0.61 H new ATOM 0 HD21 LEU A 6 -19.113 3.912 3.177 1.00 0.62 H new ATOM 0 HD22 LEU A 6 -17.768 4.407 2.121 1.00 0.62 H new ATOM 0 HD23 LEU A 6 -19.437 4.878 1.718 1.00 0.62 H new ATOM 181 N LYS A 7 -17.993 5.258 -2.546 1.00 0.29 N ATOM 182 CA LYS A 7 -17.391 5.398 -3.857 1.00 0.31 C ATOM 183 C LYS A 7 -16.103 4.605 -3.923 1.00 0.29 C ATOM 184 O LYS A 7 -15.083 5.028 -3.390 1.00 0.31 O ATOM 185 CB LYS A 7 -17.100 6.863 -4.169 1.00 0.39 C ATOM 186 CG LYS A 7 -18.326 7.674 -4.532 1.00 0.52 C ATOM 187 CD LYS A 7 -17.957 9.128 -4.744 1.00 0.63 C ATOM 188 CE LYS A 7 -19.074 9.901 -5.416 1.00 0.94 C ATOM 189 NZ LYS A 7 -18.772 11.354 -5.481 1.00 1.72 N ATOM 0 H LYS A 7 -17.710 5.969 -1.872 1.00 0.29 H new ATOM 0 HA LYS A 7 -18.096 5.016 -4.596 1.00 0.31 H new ATOM 0 HB2 LYS A 7 -16.619 7.319 -3.303 1.00 0.39 H new ATOM 0 HB3 LYS A 7 -16.388 6.913 -4.992 1.00 0.39 H new ATOM 0 HG2 LYS A 7 -18.780 7.272 -5.438 1.00 0.52 H new ATOM 0 HG3 LYS A 7 -19.070 7.593 -3.740 1.00 0.52 H new ATOM 0 HD2 LYS A 7 -17.724 9.587 -3.783 1.00 0.63 H new ATOM 0 HD3 LYS A 7 -17.055 9.189 -5.353 1.00 0.63 H new ATOM 0 HE2 LYS A 7 -19.229 9.516 -6.424 1.00 0.94 H new ATOM 0 HE3 LYS A 7 -20.004 9.746 -4.869 1.00 0.94 H new ATOM 0 HZ1 LYS A 7 -19.558 11.851 -5.947 1.00 1.72 H new ATOM 0 HZ2 LYS A 7 -18.649 11.726 -4.518 1.00 1.72 H new ATOM 0 HZ3 LYS A 7 -17.898 11.503 -6.024 1.00 1.72 H new ATOM 203 N ILE A 8 -16.151 3.453 -4.557 1.00 0.28 N ATOM 204 CA ILE A 8 -14.969 2.628 -4.702 1.00 0.28 C ATOM 205 C ILE A 8 -14.209 3.050 -5.948 1.00 0.31 C ATOM 206 O ILE A 8 -14.649 2.818 -7.075 1.00 0.34 O ATOM 207 CB ILE A 8 -15.304 1.111 -4.755 1.00 0.33 C ATOM 208 CG1 ILE A 8 -15.518 0.543 -3.344 1.00 0.58 C ATOM 209 CG2 ILE A 8 -14.200 0.332 -5.459 1.00 0.32 C ATOM 210 CD1 ILE A 8 -16.693 1.132 -2.598 1.00 0.51 C ATOM 0 H ILE A 8 -16.995 3.066 -4.980 1.00 0.28 H new ATOM 0 HA ILE A 8 -14.347 2.779 -3.819 1.00 0.28 H new ATOM 0 HB ILE A 8 -16.229 1.002 -5.322 1.00 0.33 H new ATOM 0 HG12 ILE A 8 -15.656 -0.536 -3.418 1.00 0.58 H new ATOM 0 HG13 ILE A 8 -14.613 0.709 -2.759 1.00 0.58 H new ATOM 0 HG21 ILE A 8 -14.460 -0.726 -5.482 1.00 0.32 H new ATOM 0 HG22 ILE A 8 -14.088 0.701 -6.479 1.00 0.32 H new ATOM 0 HG23 ILE A 8 -13.262 0.464 -4.920 1.00 0.32 H new ATOM 0 HD11 ILE A 8 -16.766 0.672 -1.613 1.00 0.51 H new ATOM 0 HD12 ILE A 8 -16.551 2.207 -2.487 1.00 0.51 H new ATOM 0 HD13 ILE A 8 -17.610 0.943 -3.156 1.00 0.51 H new ATOM 222 N SER A 9 -13.090 3.709 -5.742 1.00 0.33 N ATOM 223 CA SER A 9 -12.267 4.145 -6.844 1.00 0.39 C ATOM 224 C SER A 9 -11.202 3.098 -7.138 1.00 0.37 C ATOM 225 O SER A 9 -10.416 2.731 -6.269 1.00 0.45 O ATOM 226 CB SER A 9 -11.648 5.507 -6.527 1.00 0.46 C ATOM 227 OG SER A 9 -11.122 5.542 -5.211 1.00 1.48 O ATOM 0 H SER A 9 -12.730 3.954 -4.819 1.00 0.33 H new ATOM 0 HA SER A 9 -12.881 4.259 -7.738 1.00 0.39 H new ATOM 0 HB2 SER A 9 -10.855 5.724 -7.243 1.00 0.46 H new ATOM 0 HB3 SER A 9 -12.402 6.286 -6.640 1.00 0.46 H new ATOM 0 HG SER A 9 -10.732 6.424 -5.038 1.00 1.48 H new ATOM 233 N ILE A 10 -11.215 2.578 -8.350 1.00 0.40 N ATOM 234 CA ILE A 10 -10.236 1.590 -8.759 1.00 0.42 C ATOM 235 C ILE A 10 -9.351 2.179 -9.847 1.00 0.50 C ATOM 236 O ILE A 10 -9.688 2.141 -11.034 1.00 0.53 O ATOM 237 CB ILE A 10 -10.913 0.296 -9.263 1.00 0.40 C ATOM 238 CG1 ILE A 10 -11.911 -0.211 -8.216 1.00 0.38 C ATOM 239 CG2 ILE A 10 -9.868 -0.771 -9.566 1.00 0.45 C ATOM 240 CD1 ILE A 10 -12.755 -1.379 -8.680 1.00 0.43 C ATOM 0 H ILE A 10 -11.894 2.824 -9.070 1.00 0.40 H new ATOM 0 HA ILE A 10 -9.629 1.326 -7.893 1.00 0.42 H new ATOM 0 HB ILE A 10 -11.451 0.516 -10.185 1.00 0.40 H new ATOM 0 HG12 ILE A 10 -11.363 -0.505 -7.321 1.00 0.38 H new ATOM 0 HG13 ILE A 10 -12.570 0.609 -7.931 1.00 0.38 H new ATOM 0 HG21 ILE A 10 -10.363 -1.675 -9.920 1.00 0.45 H new ATOM 0 HG22 ILE A 10 -9.187 -0.406 -10.335 1.00 0.45 H new ATOM 0 HG23 ILE A 10 -9.305 -0.996 -8.660 1.00 0.45 H new ATOM 0 HD11 ILE A 10 -13.434 -1.677 -7.881 1.00 0.43 H new ATOM 0 HD12 ILE A 10 -13.332 -1.085 -9.557 1.00 0.43 H new ATOM 0 HD13 ILE A 10 -12.107 -2.217 -8.937 1.00 0.43 H new ATOM 252 N GLY A 11 -8.242 2.768 -9.431 1.00 0.59 N ATOM 253 CA GLY A 11 -7.377 3.459 -10.361 1.00 0.68 C ATOM 254 C GLY A 11 -7.977 4.779 -10.801 1.00 0.75 C ATOM 255 O GLY A 11 -7.797 5.801 -10.139 1.00 0.96 O ATOM 0 H GLY A 11 -7.925 2.780 -8.462 1.00 0.59 H new ATOM 0 HA2 GLY A 11 -6.408 3.636 -9.895 1.00 0.68 H new ATOM 0 HA3 GLY A 11 -7.201 2.829 -11.233 1.00 0.68 H new ATOM 259 N ASN A 12 -8.716 4.749 -11.902 1.00 0.75 N ATOM 260 CA ASN A 12 -9.345 5.950 -12.441 1.00 0.90 C ATOM 261 C ASN A 12 -10.867 5.815 -12.466 1.00 0.84 C ATOM 262 O ASN A 12 -11.583 6.802 -12.633 1.00 1.09 O ATOM 263 CB ASN A 12 -8.843 6.231 -13.862 1.00 1.09 C ATOM 264 CG ASN A 12 -9.201 5.125 -14.843 1.00 1.77 C ATOM 265 OD1 ASN A 12 -9.216 3.942 -14.496 1.00 2.62 O ATOM 266 ND2 ASN A 12 -9.510 5.502 -16.072 1.00 2.17 N ATOM 0 H ASN A 12 -8.896 3.903 -12.442 1.00 0.75 H new ATOM 0 HA ASN A 12 -9.075 6.779 -11.787 1.00 0.90 H new ATOM 0 HB2 ASN A 12 -9.266 7.172 -14.212 1.00 1.09 H new ATOM 0 HB3 ASN A 12 -7.760 6.356 -13.842 1.00 1.09 H new ATOM 0 HD21 ASN A 12 -9.772 4.805 -16.769 1.00 2.17 H new ATOM 0 HD22 ASN A 12 -9.487 6.490 -16.323 1.00 2.17 H new ATOM 273 N VAL A 13 -11.356 4.595 -12.304 1.00 0.65 N ATOM 274 CA VAL A 13 -12.787 4.334 -12.385 1.00 0.61 C ATOM 275 C VAL A 13 -13.438 4.492 -11.011 1.00 0.53 C ATOM 276 O VAL A 13 -12.799 4.252 -9.984 1.00 0.50 O ATOM 277 CB VAL A 13 -13.068 2.919 -12.959 1.00 0.61 C ATOM 278 CG1 VAL A 13 -12.594 1.830 -12.012 1.00 0.55 C ATOM 279 CG2 VAL A 13 -14.539 2.736 -13.288 1.00 0.65 C ATOM 0 H VAL A 13 -10.785 3.771 -12.116 1.00 0.65 H new ATOM 0 HA VAL A 13 -13.224 5.065 -13.065 1.00 0.61 H new ATOM 0 HB VAL A 13 -12.500 2.831 -13.885 1.00 0.61 H new ATOM 0 HG11 VAL A 13 -12.807 0.853 -12.446 1.00 0.55 H new ATOM 0 HG12 VAL A 13 -11.521 1.930 -11.851 1.00 0.55 H new ATOM 0 HG13 VAL A 13 -13.114 1.925 -11.059 1.00 0.55 H new ATOM 0 HG21 VAL A 13 -14.701 1.735 -13.688 1.00 0.65 H new ATOM 0 HG22 VAL A 13 -15.133 2.866 -12.383 1.00 0.65 H new ATOM 0 HG23 VAL A 13 -14.841 3.476 -14.030 1.00 0.65 H new ATOM 289 N VAL A 14 -14.704 4.892 -10.995 1.00 0.51 N ATOM 290 CA VAL A 14 -15.427 5.073 -9.747 1.00 0.46 C ATOM 291 C VAL A 14 -16.654 4.167 -9.720 1.00 0.41 C ATOM 292 O VAL A 14 -17.580 4.307 -10.521 1.00 0.45 O ATOM 293 CB VAL A 14 -15.830 6.554 -9.499 1.00 0.53 C ATOM 294 CG1 VAL A 14 -16.623 7.124 -10.663 1.00 0.62 C ATOM 295 CG2 VAL A 14 -16.616 6.691 -8.198 1.00 0.50 C ATOM 0 H VAL A 14 -15.249 5.096 -11.833 1.00 0.51 H new ATOM 0 HA VAL A 14 -14.754 4.794 -8.936 1.00 0.46 H new ATOM 0 HB VAL A 14 -14.909 7.131 -9.412 1.00 0.53 H new ATOM 0 HG11 VAL A 14 -16.886 8.160 -10.451 1.00 0.62 H new ATOM 0 HG12 VAL A 14 -16.020 7.080 -11.570 1.00 0.62 H new ATOM 0 HG13 VAL A 14 -17.533 6.541 -10.804 1.00 0.62 H new ATOM 0 HG21 VAL A 14 -16.887 7.736 -8.045 1.00 0.50 H new ATOM 0 HG22 VAL A 14 -17.521 6.086 -8.254 1.00 0.50 H new ATOM 0 HG23 VAL A 14 -16.002 6.350 -7.364 1.00 0.50 H new ATOM 305 N LYS A 15 -16.628 3.207 -8.817 1.00 0.39 N ATOM 306 CA LYS A 15 -17.708 2.251 -8.682 1.00 0.41 C ATOM 307 C LYS A 15 -18.523 2.575 -7.442 1.00 0.35 C ATOM 308 O LYS A 15 -17.974 2.773 -6.363 1.00 0.31 O ATOM 309 CB LYS A 15 -17.142 0.835 -8.588 1.00 0.50 C ATOM 310 CG LYS A 15 -16.359 0.401 -9.819 1.00 0.67 C ATOM 311 CD LYS A 15 -17.268 0.204 -11.023 1.00 0.80 C ATOM 312 CE LYS A 15 -16.479 -0.213 -12.253 1.00 1.02 C ATOM 313 NZ LYS A 15 -17.361 -0.464 -13.423 1.00 1.28 N ATOM 0 H LYS A 15 -15.861 3.068 -8.159 1.00 0.39 H new ATOM 0 HA LYS A 15 -18.354 2.311 -9.558 1.00 0.41 H new ATOM 0 HB2 LYS A 15 -16.492 0.771 -7.715 1.00 0.50 H new ATOM 0 HB3 LYS A 15 -17.963 0.136 -8.426 1.00 0.50 H new ATOM 0 HG2 LYS A 15 -15.603 1.151 -10.052 1.00 0.67 H new ATOM 0 HG3 LYS A 15 -15.831 -0.528 -9.606 1.00 0.67 H new ATOM 0 HD2 LYS A 15 -18.017 -0.555 -10.795 1.00 0.80 H new ATOM 0 HD3 LYS A 15 -17.805 1.130 -11.230 1.00 0.80 H new ATOM 0 HE2 LYS A 15 -15.759 0.566 -12.503 1.00 1.02 H new ATOM 0 HE3 LYS A 15 -15.909 -1.115 -12.029 1.00 1.02 H new ATOM 0 HZ1 LYS A 15 -16.782 -0.746 -14.240 1.00 1.28 H new ATOM 0 HZ2 LYS A 15 -18.032 -1.225 -13.195 1.00 1.28 H new ATOM 0 HZ3 LYS A 15 -17.887 0.403 -13.654 1.00 1.28 H new ATOM 327 N THR A 16 -19.826 2.646 -7.598 1.00 0.38 N ATOM 328 CA THR A 16 -20.690 2.997 -6.490 1.00 0.37 C ATOM 329 C THR A 16 -21.346 1.752 -5.908 1.00 0.35 C ATOM 330 O THR A 16 -22.150 1.094 -6.570 1.00 0.39 O ATOM 331 CB THR A 16 -21.765 4.003 -6.934 1.00 0.45 C ATOM 332 OG1 THR A 16 -21.141 5.090 -7.636 1.00 0.50 O ATOM 333 CG2 THR A 16 -22.535 4.544 -5.738 1.00 0.45 C ATOM 0 H THR A 16 -20.311 2.466 -8.477 1.00 0.38 H new ATOM 0 HA THR A 16 -20.077 3.463 -5.718 1.00 0.37 H new ATOM 0 HB THR A 16 -22.468 3.490 -7.590 1.00 0.45 H new ATOM 0 HG1 THR A 16 -21.825 5.731 -7.921 1.00 0.50 H new ATOM 0 HG21 THR A 16 -23.289 5.253 -6.081 1.00 0.45 H new ATOM 0 HG22 THR A 16 -23.022 3.720 -5.216 1.00 0.45 H new ATOM 0 HG23 THR A 16 -21.846 5.047 -5.059 1.00 0.45 H new ATOM 341 N MET A 17 -20.975 1.417 -4.683 1.00 0.31 N ATOM 342 CA MET A 17 -21.517 0.254 -3.998 1.00 0.32 C ATOM 343 C MET A 17 -21.936 0.635 -2.598 1.00 0.32 C ATOM 344 O MET A 17 -21.371 1.551 -2.000 1.00 0.31 O ATOM 345 CB MET A 17 -20.504 -0.890 -3.916 1.00 0.34 C ATOM 346 CG MET A 17 -20.508 -1.829 -5.109 1.00 0.44 C ATOM 347 SD MET A 17 -19.505 -3.303 -4.813 1.00 1.04 S ATOM 348 CE MET A 17 -20.329 -4.003 -3.380 1.00 0.40 C ATOM 0 H MET A 17 -20.292 1.941 -4.137 1.00 0.31 H new ATOM 0 HA MET A 17 -22.375 -0.091 -4.575 1.00 0.32 H new ATOM 0 HB2 MET A 17 -19.506 -0.466 -3.808 1.00 0.34 H new ATOM 0 HB3 MET A 17 -20.703 -1.469 -3.014 1.00 0.34 H new ATOM 0 HG2 MET A 17 -21.532 -2.126 -5.333 1.00 0.44 H new ATOM 0 HG3 MET A 17 -20.130 -1.303 -5.986 1.00 0.44 H new ATOM 0 HE1 MET A 17 -19.889 -4.972 -3.145 1.00 0.40 H new ATOM 0 HE2 MET A 17 -20.209 -3.334 -2.528 1.00 0.40 H new ATOM 0 HE3 MET A 17 -21.390 -4.128 -3.596 1.00 0.40 H new ATOM 358 N GLN A 18 -22.924 -0.056 -2.077 1.00 0.36 N ATOM 359 CA GLN A 18 -23.330 0.155 -0.710 1.00 0.37 C ATOM 360 C GLN A 18 -22.971 -1.039 0.141 1.00 0.35 C ATOM 361 O GLN A 18 -23.095 -2.187 -0.289 1.00 0.38 O ATOM 362 CB GLN A 18 -24.816 0.466 -0.636 1.00 0.44 C ATOM 363 CG GLN A 18 -25.107 1.846 -1.171 1.00 0.49 C ATOM 364 CD GLN A 18 -26.537 2.028 -1.609 1.00 0.59 C ATOM 365 OE1 GLN A 18 -27.467 1.507 -0.991 1.00 0.92 O ATOM 366 NE2 GLN A 18 -26.712 2.725 -2.716 1.00 0.60 N ATOM 0 H GLN A 18 -23.458 -0.766 -2.578 1.00 0.36 H new ATOM 0 HA GLN A 18 -22.791 1.016 -0.315 1.00 0.37 H new ATOM 0 HB2 GLN A 18 -25.375 -0.275 -1.208 1.00 0.44 H new ATOM 0 HB3 GLN A 18 -25.155 0.394 0.397 1.00 0.44 H new ATOM 0 HG2 GLN A 18 -24.874 2.582 -0.402 1.00 0.49 H new ATOM 0 HG3 GLN A 18 -24.448 2.047 -2.015 1.00 0.49 H new ATOM 0 HE21 GLN A 18 -25.909 3.137 -3.191 1.00 0.60 H new ATOM 0 HE22 GLN A 18 -27.650 2.852 -3.096 1.00 0.60 H new ATOM 375 N PHE A 19 -22.510 -0.757 1.341 1.00 0.34 N ATOM 376 CA PHE A 19 -22.070 -1.772 2.270 1.00 0.33 C ATOM 377 C PHE A 19 -22.789 -1.535 3.578 1.00 0.37 C ATOM 378 O PHE A 19 -23.289 -0.438 3.811 1.00 0.40 O ATOM 379 CB PHE A 19 -20.557 -1.684 2.499 1.00 0.29 C ATOM 380 CG PHE A 19 -19.720 -2.017 1.297 1.00 0.27 C ATOM 381 CD1 PHE A 19 -19.515 -1.074 0.309 1.00 0.30 C ATOM 382 CD2 PHE A 19 -19.146 -3.269 1.153 1.00 0.33 C ATOM 383 CE1 PHE A 19 -18.751 -1.372 -0.804 1.00 0.31 C ATOM 384 CE2 PHE A 19 -18.382 -3.574 0.044 1.00 0.36 C ATOM 385 CZ PHE A 19 -18.161 -2.644 -0.915 1.00 0.31 C ATOM 0 H PHE A 19 -22.430 0.194 1.701 1.00 0.34 H new ATOM 0 HA PHE A 19 -22.293 -2.761 1.869 1.00 0.33 H new ATOM 0 HB2 PHE A 19 -20.311 -0.674 2.828 1.00 0.29 H new ATOM 0 HB3 PHE A 19 -20.286 -2.358 3.311 1.00 0.29 H new ATOM 0 HD1 PHE A 19 -19.956 -0.093 0.407 1.00 0.30 H new ATOM 0 HD2 PHE A 19 -19.298 -4.016 1.918 1.00 0.33 H new ATOM 0 HE1 PHE A 19 -18.609 -0.635 -1.581 1.00 0.31 H new ATOM 0 HE2 PHE A 19 -17.958 -4.562 -0.059 1.00 0.36 H new ATOM 0 HZ PHE A 19 -17.534 -2.878 -1.762 1.00 0.31 H new ATOM 395 N GLU A 20 -22.871 -2.541 4.411 1.00 0.39 N ATOM 396 CA GLU A 20 -23.451 -2.364 5.725 1.00 0.43 C ATOM 397 C GLU A 20 -22.504 -1.531 6.593 1.00 0.44 C ATOM 398 O GLU A 20 -21.290 -1.588 6.416 1.00 0.47 O ATOM 399 CB GLU A 20 -23.725 -3.727 6.357 1.00 0.50 C ATOM 400 CG GLU A 20 -24.645 -4.596 5.513 1.00 0.61 C ATOM 401 CD GLU A 20 -24.774 -6.006 6.049 1.00 0.90 C ATOM 402 OE1 GLU A 20 -25.463 -6.199 7.069 1.00 1.42 O ATOM 403 OE2 GLU A 20 -24.183 -6.935 5.447 1.00 1.06 O ATOM 0 H GLU A 20 -22.547 -3.487 4.208 1.00 0.39 H new ATOM 0 HA GLU A 20 -24.399 -1.833 5.643 1.00 0.43 H new ATOM 0 HB2 GLU A 20 -22.780 -4.248 6.509 1.00 0.50 H new ATOM 0 HB3 GLU A 20 -24.171 -3.583 7.341 1.00 0.50 H new ATOM 0 HG2 GLU A 20 -25.633 -4.137 5.470 1.00 0.61 H new ATOM 0 HG3 GLU A 20 -24.266 -4.634 4.492 1.00 0.61 H new ATOM 410 N PRO A 21 -23.051 -0.705 7.502 1.00 0.50 N ATOM 411 CA PRO A 21 -22.254 0.114 8.410 1.00 0.53 C ATOM 412 C PRO A 21 -21.101 -0.667 9.032 1.00 0.53 C ATOM 413 O PRO A 21 -19.988 -0.153 9.174 1.00 0.65 O ATOM 414 CB PRO A 21 -23.248 0.568 9.485 1.00 0.57 C ATOM 415 CG PRO A 21 -24.618 0.228 8.987 1.00 0.61 C ATOM 416 CD PRO A 21 -24.483 -0.475 7.663 1.00 0.62 C ATOM 0 HA PRO A 21 -21.784 0.947 7.888 1.00 0.53 H new ATOM 0 HB2 PRO A 21 -23.047 0.067 10.432 1.00 0.57 H new ATOM 0 HB3 PRO A 21 -23.158 1.639 9.665 1.00 0.57 H new ATOM 0 HG2 PRO A 21 -25.134 -0.410 9.704 1.00 0.61 H new ATOM 0 HG3 PRO A 21 -25.216 1.132 8.877 1.00 0.61 H new ATOM 0 HD2 PRO A 21 -25.037 -1.414 7.656 1.00 0.62 H new ATOM 0 HD3 PRO A 21 -24.879 0.134 6.850 1.00 0.62 H new ATOM 424 N SER A 22 -21.366 -1.912 9.386 1.00 0.50 N ATOM 425 CA SER A 22 -20.324 -2.791 9.858 1.00 0.61 C ATOM 426 C SER A 22 -19.495 -3.301 8.680 1.00 0.84 C ATOM 427 O SER A 22 -18.405 -2.778 8.420 1.00 1.64 O ATOM 428 CB SER A 22 -20.938 -3.950 10.645 1.00 0.68 C ATOM 429 OG SER A 22 -22.082 -4.462 9.981 1.00 1.32 O ATOM 0 H SER A 22 -22.295 -2.332 9.354 1.00 0.50 H new ATOM 0 HA SER A 22 -19.660 -2.240 10.524 1.00 0.61 H new ATOM 0 HB2 SER A 22 -20.200 -4.742 10.769 1.00 0.68 H new ATOM 0 HB3 SER A 22 -21.213 -3.611 11.644 1.00 0.68 H new ATOM 0 HG SER A 22 -22.457 -5.203 10.501 1.00 1.32 H new ATOM 435 N THR A 23 -20.068 -4.256 7.934 1.00 0.41 N ATOM 436 CA THR A 23 -19.387 -4.987 6.867 1.00 0.49 C ATOM 437 C THR A 23 -18.043 -5.567 7.312 1.00 0.63 C ATOM 438 O THR A 23 -17.931 -6.777 7.513 1.00 1.47 O ATOM 439 CB THR A 23 -19.195 -4.121 5.612 1.00 0.51 C ATOM 440 OG1 THR A 23 -20.466 -3.762 5.075 1.00 0.68 O ATOM 441 CG2 THR A 23 -18.416 -4.871 4.557 1.00 0.50 C ATOM 0 H THR A 23 -21.038 -4.544 8.062 1.00 0.41 H new ATOM 0 HA THR A 23 -20.042 -5.822 6.618 1.00 0.49 H new ATOM 0 HB THR A 23 -18.641 -3.227 5.898 1.00 0.51 H new ATOM 0 HG1 THR A 23 -20.755 -2.908 5.460 1.00 0.68 H new ATOM 0 HG21 THR A 23 -18.292 -4.239 3.678 1.00 0.50 H new ATOM 0 HG22 THR A 23 -17.436 -5.140 4.951 1.00 0.50 H new ATOM 0 HG23 THR A 23 -18.957 -5.776 4.280 1.00 0.50 H new ATOM 449 N MET A 24 -17.057 -4.682 7.481 1.00 0.54 N ATOM 450 CA MET A 24 -15.682 -5.033 7.813 1.00 0.48 C ATOM 451 C MET A 24 -14.908 -5.367 6.548 1.00 0.43 C ATOM 452 O MET A 24 -15.429 -6.012 5.645 1.00 0.47 O ATOM 453 CB MET A 24 -15.623 -6.178 8.824 1.00 0.60 C ATOM 454 CG MET A 24 -14.585 -5.976 9.900 1.00 0.57 C ATOM 455 SD MET A 24 -14.971 -6.911 11.386 1.00 0.83 S ATOM 456 CE MET A 24 -13.947 -6.057 12.570 1.00 0.71 C ATOM 0 H MET A 24 -17.201 -3.677 7.387 1.00 0.54 H new ATOM 0 HA MET A 24 -15.213 -4.170 8.286 1.00 0.48 H new ATOM 0 HB2 MET A 24 -16.602 -6.291 9.291 1.00 0.60 H new ATOM 0 HB3 MET A 24 -15.412 -7.108 8.296 1.00 0.60 H new ATOM 0 HG2 MET A 24 -13.608 -6.279 9.524 1.00 0.57 H new ATOM 0 HG3 MET A 24 -14.517 -4.916 10.145 1.00 0.57 H new ATOM 0 HE1 MET A 24 -14.095 -6.491 13.559 1.00 0.71 H new ATOM 0 HE2 MET A 24 -12.900 -6.155 12.283 1.00 0.71 H new ATOM 0 HE3 MET A 24 -14.219 -5.002 12.593 1.00 0.71 H new ATOM 466 N VAL A 25 -13.674 -4.876 6.494 1.00 0.40 N ATOM 467 CA VAL A 25 -12.814 -5.003 5.313 1.00 0.38 C ATOM 468 C VAL A 25 -12.887 -6.387 4.662 1.00 0.39 C ATOM 469 O VAL A 25 -13.052 -6.493 3.447 1.00 0.39 O ATOM 470 CB VAL A 25 -11.352 -4.674 5.659 1.00 0.41 C ATOM 471 CG1 VAL A 25 -10.417 -5.000 4.501 1.00 0.42 C ATOM 472 CG2 VAL A 25 -11.242 -3.210 6.028 1.00 0.40 C ATOM 0 H VAL A 25 -13.237 -4.376 7.268 1.00 0.40 H new ATOM 0 HA VAL A 25 -13.193 -4.281 4.589 1.00 0.38 H new ATOM 0 HB VAL A 25 -11.050 -5.290 6.506 1.00 0.41 H new ATOM 0 HG11 VAL A 25 -9.392 -4.755 4.781 1.00 0.42 H new ATOM 0 HG12 VAL A 25 -10.485 -6.062 4.266 1.00 0.42 H new ATOM 0 HG13 VAL A 25 -10.704 -4.416 3.626 1.00 0.42 H new ATOM 0 HG21 VAL A 25 -10.207 -2.974 6.274 1.00 0.40 H new ATOM 0 HG22 VAL A 25 -11.564 -2.597 5.186 1.00 0.40 H new ATOM 0 HG23 VAL A 25 -11.876 -3.003 6.890 1.00 0.40 H new ATOM 482 N TYR A 26 -12.787 -7.441 5.466 1.00 0.42 N ATOM 483 CA TYR A 26 -12.770 -8.796 4.924 1.00 0.45 C ATOM 484 C TYR A 26 -14.098 -9.154 4.244 1.00 0.43 C ATOM 485 O TYR A 26 -14.117 -9.855 3.230 1.00 0.42 O ATOM 486 CB TYR A 26 -12.392 -9.830 5.997 1.00 0.52 C ATOM 487 CG TYR A 26 -13.334 -9.923 7.178 1.00 0.56 C ATOM 488 CD1 TYR A 26 -14.409 -10.798 7.163 1.00 0.70 C ATOM 489 CD2 TYR A 26 -13.131 -9.157 8.319 1.00 0.58 C ATOM 490 CE1 TYR A 26 -15.259 -10.907 8.244 1.00 0.78 C ATOM 491 CE2 TYR A 26 -13.979 -9.259 9.402 1.00 0.65 C ATOM 492 CZ TYR A 26 -15.039 -10.135 9.362 1.00 0.72 C ATOM 493 OH TYR A 26 -15.884 -10.240 10.443 1.00 0.83 O ATOM 0 H TYR A 26 -12.717 -7.386 6.482 1.00 0.42 H new ATOM 0 HA TYR A 26 -11.996 -8.824 4.157 1.00 0.45 H new ATOM 0 HB2 TYR A 26 -12.332 -10.811 5.525 1.00 0.52 H new ATOM 0 HB3 TYR A 26 -11.395 -9.593 6.368 1.00 0.52 H new ATOM 0 HD1 TYR A 26 -14.584 -11.406 6.288 1.00 0.70 H new ATOM 0 HD2 TYR A 26 -12.297 -8.472 8.359 1.00 0.58 H new ATOM 0 HE1 TYR A 26 -16.092 -11.594 8.213 1.00 0.78 H new ATOM 0 HE2 TYR A 26 -13.811 -8.652 10.280 1.00 0.65 H new ATOM 0 HH TYR A 26 -15.848 -9.413 10.968 1.00 0.83 H new ATOM 503 N ASP A 27 -15.202 -8.652 4.788 1.00 0.43 N ATOM 504 CA ASP A 27 -16.523 -8.884 4.205 1.00 0.44 C ATOM 505 C ASP A 27 -16.725 -7.987 2.987 1.00 0.39 C ATOM 506 O ASP A 27 -17.324 -8.388 1.995 1.00 0.40 O ATOM 507 CB ASP A 27 -17.620 -8.642 5.246 1.00 0.50 C ATOM 508 CG ASP A 27 -19.022 -8.928 4.731 1.00 0.91 C ATOM 509 OD1 ASP A 27 -19.357 -10.114 4.529 1.00 1.24 O ATOM 510 OD2 ASP A 27 -19.809 -7.972 4.546 1.00 1.48 O ATOM 0 H ASP A 27 -15.210 -8.081 5.633 1.00 0.43 H new ATOM 0 HA ASP A 27 -16.586 -9.923 3.883 1.00 0.44 H new ATOM 0 HB2 ASP A 27 -17.427 -9.268 6.117 1.00 0.50 H new ATOM 0 HB3 ASP A 27 -17.569 -7.606 5.581 1.00 0.50 H new ATOM 515 N ALA A 28 -16.221 -6.764 3.063 1.00 0.37 N ATOM 516 CA ALA A 28 -16.272 -5.848 1.930 1.00 0.33 C ATOM 517 C ALA A 28 -15.513 -6.412 0.735 1.00 0.32 C ATOM 518 O ALA A 28 -16.041 -6.468 -0.378 1.00 0.31 O ATOM 519 CB ALA A 28 -15.700 -4.495 2.322 1.00 0.33 C ATOM 0 H ALA A 28 -15.772 -6.382 3.896 1.00 0.37 H new ATOM 0 HA ALA A 28 -17.316 -5.723 1.642 1.00 0.33 H new ATOM 0 HB1 ALA A 28 -15.744 -3.820 1.467 1.00 0.33 H new ATOM 0 HB2 ALA A 28 -16.282 -4.078 3.144 1.00 0.33 H new ATOM 0 HB3 ALA A 28 -14.663 -4.616 2.636 1.00 0.33 H new ATOM 525 N CYS A 29 -14.281 -6.838 0.986 1.00 0.35 N ATOM 526 CA CYS A 29 -13.399 -7.362 -0.053 1.00 0.37 C ATOM 527 C CYS A 29 -14.027 -8.538 -0.804 1.00 0.38 C ATOM 528 O CYS A 29 -13.794 -8.707 -2.001 1.00 0.40 O ATOM 529 CB CYS A 29 -12.066 -7.790 0.566 1.00 0.45 C ATOM 530 SG CYS A 29 -10.895 -8.524 -0.604 1.00 1.37 S ATOM 0 H CYS A 29 -13.864 -6.830 1.917 1.00 0.35 H new ATOM 0 HA CYS A 29 -13.233 -6.564 -0.777 1.00 0.37 H new ATOM 0 HB2 CYS A 29 -11.600 -6.921 1.030 1.00 0.45 H new ATOM 0 HB3 CYS A 29 -12.264 -8.508 1.362 1.00 0.45 H new ATOM 0 HG CYS A 29 -9.802 -8.848 0.021 1.00 1.37 H new ATOM 536 N ARG A 30 -14.829 -9.340 -0.115 1.00 0.40 N ATOM 537 CA ARG A 30 -15.397 -10.531 -0.735 1.00 0.44 C ATOM 538 C ARG A 30 -16.517 -10.150 -1.697 1.00 0.42 C ATOM 539 O ARG A 30 -16.623 -10.710 -2.785 1.00 0.45 O ATOM 540 CB ARG A 30 -15.895 -11.532 0.321 1.00 0.49 C ATOM 541 CG ARG A 30 -17.122 -11.076 1.100 1.00 0.53 C ATOM 542 CD ARG A 30 -17.491 -12.050 2.211 1.00 0.71 C ATOM 543 NE ARG A 30 -16.404 -12.254 3.172 1.00 1.12 N ATOM 544 CZ ARG A 30 -16.580 -12.692 4.416 1.00 1.68 C ATOM 545 NH1 ARG A 30 -17.803 -12.853 4.908 1.00 1.94 N ATOM 546 NH2 ARG A 30 -15.526 -12.949 5.173 1.00 2.41 N ATOM 0 H ARG A 30 -15.098 -9.192 0.858 1.00 0.40 H new ATOM 0 HA ARG A 30 -14.607 -11.022 -1.303 1.00 0.44 H new ATOM 0 HB2 ARG A 30 -16.125 -12.476 -0.173 1.00 0.49 H new ATOM 0 HB3 ARG A 30 -15.087 -11.729 1.025 1.00 0.49 H new ATOM 0 HG2 ARG A 30 -16.933 -10.092 1.529 1.00 0.53 H new ATOM 0 HG3 ARG A 30 -17.965 -10.969 0.417 1.00 0.53 H new ATOM 0 HD2 ARG A 30 -18.370 -11.678 2.737 1.00 0.71 H new ATOM 0 HD3 ARG A 30 -17.765 -13.009 1.771 1.00 0.71 H new ATOM 0 HE ARG A 30 -15.452 -12.047 2.868 1.00 1.12 H new ATOM 0 HH11 ARG A 30 -18.617 -12.640 4.331 1.00 1.94 H new ATOM 0 HH12 ARG A 30 -17.928 -13.189 5.863 1.00 1.94 H new ATOM 0 HH21 ARG A 30 -14.586 -12.811 4.802 1.00 2.41 H new ATOM 0 HH22 ARG A 30 -15.653 -13.285 6.128 1.00 2.41 H new ATOM 560 N MET A 31 -17.323 -9.172 -1.305 1.00 0.39 N ATOM 561 CA MET A 31 -18.461 -8.748 -2.107 1.00 0.40 C ATOM 562 C MET A 31 -18.034 -7.892 -3.287 1.00 0.38 C ATOM 563 O MET A 31 -18.527 -8.074 -4.395 1.00 0.44 O ATOM 564 CB MET A 31 -19.444 -7.965 -1.253 1.00 0.39 C ATOM 565 CG MET A 31 -19.954 -8.745 -0.061 1.00 0.43 C ATOM 566 SD MET A 31 -21.082 -7.776 0.947 1.00 0.45 S ATOM 567 CE MET A 31 -19.952 -6.514 1.519 1.00 0.39 C ATOM 0 H MET A 31 -17.208 -8.656 -0.433 1.00 0.39 H new ATOM 0 HA MET A 31 -18.937 -9.650 -2.492 1.00 0.40 H new ATOM 0 HB2 MET A 31 -18.963 -7.052 -0.902 1.00 0.39 H new ATOM 0 HB3 MET A 31 -20.290 -7.663 -1.870 1.00 0.39 H new ATOM 0 HG2 MET A 31 -20.461 -9.646 -0.407 1.00 0.43 H new ATOM 0 HG3 MET A 31 -19.110 -9.068 0.548 1.00 0.43 H new ATOM 0 HE1 MET A 31 -20.515 -5.705 1.984 1.00 0.39 H new ATOM 0 HE2 MET A 31 -19.265 -6.944 2.248 1.00 0.39 H new ATOM 0 HE3 MET A 31 -19.386 -6.123 0.674 1.00 0.39 H new ATOM 577 N ILE A 32 -17.130 -6.953 -3.048 1.00 0.34 N ATOM 578 CA ILE A 32 -16.706 -6.028 -4.094 1.00 0.33 C ATOM 579 C ILE A 32 -16.126 -6.779 -5.295 1.00 0.36 C ATOM 580 O ILE A 32 -16.462 -6.479 -6.437 1.00 0.40 O ATOM 581 CB ILE A 32 -15.694 -4.985 -3.566 1.00 0.30 C ATOM 582 CG1 ILE A 32 -15.341 -3.996 -4.674 1.00 0.40 C ATOM 583 CG2 ILE A 32 -14.438 -5.652 -3.020 1.00 0.30 C ATOM 584 CD1 ILE A 32 -14.405 -2.905 -4.223 1.00 0.48 C ATOM 0 H ILE A 32 -16.677 -6.810 -2.145 1.00 0.34 H new ATOM 0 HA ILE A 32 -17.595 -5.489 -4.422 1.00 0.33 H new ATOM 0 HB ILE A 32 -16.160 -4.445 -2.742 1.00 0.30 H new ATOM 0 HG12 ILE A 32 -14.884 -4.537 -5.503 1.00 0.40 H new ATOM 0 HG13 ILE A 32 -16.257 -3.545 -5.054 1.00 0.40 H new ATOM 0 HG21 ILE A 32 -13.749 -4.889 -2.658 1.00 0.30 H new ATOM 0 HG22 ILE A 32 -14.707 -6.317 -2.200 1.00 0.30 H new ATOM 0 HG23 ILE A 32 -13.958 -6.228 -3.812 1.00 0.30 H new ATOM 0 HD11 ILE A 32 -14.195 -2.237 -5.059 1.00 0.48 H new ATOM 0 HD12 ILE A 32 -14.868 -2.340 -3.414 1.00 0.48 H new ATOM 0 HD13 ILE A 32 -13.474 -3.348 -3.870 1.00 0.48 H new ATOM 596 N ARG A 33 -15.276 -7.763 -5.025 1.00 0.36 N ATOM 597 CA ARG A 33 -14.722 -8.620 -6.070 1.00 0.41 C ATOM 598 C ARG A 33 -15.822 -9.385 -6.806 1.00 0.45 C ATOM 599 O ARG A 33 -15.687 -9.719 -7.981 1.00 0.49 O ATOM 600 CB ARG A 33 -13.709 -9.599 -5.476 1.00 0.45 C ATOM 601 CG ARG A 33 -12.433 -8.928 -4.998 1.00 1.01 C ATOM 602 CD ARG A 33 -11.441 -9.941 -4.450 1.00 0.94 C ATOM 603 NE ARG A 33 -11.870 -10.513 -3.172 1.00 0.64 N ATOM 604 CZ ARG A 33 -12.069 -11.816 -2.966 1.00 0.84 C ATOM 605 NH1 ARG A 33 -12.002 -12.669 -3.981 1.00 1.32 N ATOM 606 NH2 ARG A 33 -12.360 -12.262 -1.750 1.00 1.22 N ATOM 0 H ARG A 33 -14.953 -7.989 -4.084 1.00 0.36 H new ATOM 0 HA ARG A 33 -14.216 -7.978 -6.791 1.00 0.41 H new ATOM 0 HB2 ARG A 33 -14.170 -10.125 -4.640 1.00 0.45 H new ATOM 0 HB3 ARG A 33 -13.458 -10.350 -6.225 1.00 0.45 H new ATOM 0 HG2 ARG A 33 -11.977 -8.381 -5.823 1.00 1.01 H new ATOM 0 HG3 ARG A 33 -12.673 -8.197 -4.225 1.00 1.01 H new ATOM 0 HD2 ARG A 33 -11.307 -10.743 -5.176 1.00 0.94 H new ATOM 0 HD3 ARG A 33 -10.471 -9.461 -4.322 1.00 0.94 H new ATOM 0 HE ARG A 33 -12.026 -9.876 -2.391 1.00 0.64 H new ATOM 0 HH11 ARG A 33 -11.798 -12.329 -4.921 1.00 1.32 H new ATOM 0 HH12 ARG A 33 -12.154 -13.665 -3.821 1.00 1.32 H new ATOM 0 HH21 ARG A 33 -12.432 -11.608 -0.971 1.00 1.22 H new ATOM 0 HH22 ARG A 33 -12.512 -13.259 -1.595 1.00 1.22 H new ATOM 620 N GLU A 34 -16.914 -9.646 -6.109 1.00 0.46 N ATOM 621 CA GLU A 34 -18.018 -10.391 -6.683 1.00 0.51 C ATOM 622 C GLU A 34 -18.794 -9.532 -7.673 1.00 0.50 C ATOM 623 O GLU A 34 -19.166 -9.995 -8.754 1.00 0.54 O ATOM 624 CB GLU A 34 -18.941 -10.909 -5.586 1.00 0.55 C ATOM 625 CG GLU A 34 -18.378 -12.107 -4.844 1.00 0.90 C ATOM 626 CD GLU A 34 -18.062 -13.261 -5.772 1.00 1.51 C ATOM 627 OE1 GLU A 34 -18.978 -14.058 -6.082 1.00 1.50 O ATOM 628 OE2 GLU A 34 -16.895 -13.379 -6.196 1.00 2.40 O ATOM 0 H GLU A 34 -17.059 -9.352 -5.143 1.00 0.46 H new ATOM 0 HA GLU A 34 -17.608 -11.245 -7.222 1.00 0.51 H new ATOM 0 HB2 GLU A 34 -19.133 -10.107 -4.874 1.00 0.55 H new ATOM 0 HB3 GLU A 34 -19.900 -11.181 -6.026 1.00 0.55 H new ATOM 0 HG2 GLU A 34 -17.472 -11.811 -4.315 1.00 0.90 H new ATOM 0 HG3 GLU A 34 -19.095 -12.435 -4.091 1.00 0.90 H new ATOM 635 N ARG A 35 -19.024 -8.277 -7.306 1.00 0.51 N ATOM 636 CA ARG A 35 -19.772 -7.362 -8.161 1.00 0.55 C ATOM 637 C ARG A 35 -18.860 -6.777 -9.235 1.00 0.49 C ATOM 638 O ARG A 35 -19.165 -6.821 -10.426 1.00 0.54 O ATOM 639 CB ARG A 35 -20.363 -6.199 -7.348 1.00 0.72 C ATOM 640 CG ARG A 35 -20.574 -6.486 -5.868 1.00 0.77 C ATOM 641 CD ARG A 35 -21.752 -7.409 -5.601 1.00 0.79 C ATOM 642 NE ARG A 35 -23.028 -6.807 -5.984 1.00 1.02 N ATOM 643 CZ ARG A 35 -24.132 -6.856 -5.236 1.00 1.46 C ATOM 644 NH1 ARG A 35 -24.141 -7.536 -4.093 1.00 1.79 N ATOM 645 NH2 ARG A 35 -25.233 -6.239 -5.638 1.00 1.90 N ATOM 0 H ARG A 35 -18.705 -7.871 -6.426 1.00 0.51 H new ATOM 0 HA ARG A 35 -20.580 -7.933 -8.618 1.00 0.55 H new ATOM 0 HB2 ARG A 35 -19.703 -5.337 -7.444 1.00 0.72 H new ATOM 0 HB3 ARG A 35 -21.320 -5.919 -7.788 1.00 0.72 H new ATOM 0 HG2 ARG A 35 -19.669 -6.934 -5.458 1.00 0.77 H new ATOM 0 HG3 ARG A 35 -20.731 -5.545 -5.340 1.00 0.77 H new ATOM 0 HD2 ARG A 35 -21.613 -8.340 -6.151 1.00 0.79 H new ATOM 0 HD3 ARG A 35 -21.777 -7.665 -4.542 1.00 0.79 H new ATOM 0 HE ARG A 35 -23.077 -6.319 -6.878 1.00 1.02 H new ATOM 0 HH11 ARG A 35 -23.301 -8.024 -3.783 1.00 1.79 H new ATOM 0 HH12 ARG A 35 -24.988 -7.569 -3.526 1.00 1.79 H new ATOM 0 HH21 ARG A 35 -25.237 -5.726 -6.520 1.00 1.90 H new ATOM 0 HH22 ARG A 35 -26.077 -6.277 -5.066 1.00 1.90 H new ATOM 659 N ILE A 36 -17.739 -6.228 -8.791 1.00 0.45 N ATOM 660 CA ILE A 36 -16.833 -5.487 -9.658 1.00 0.43 C ATOM 661 C ILE A 36 -15.598 -6.316 -10.012 1.00 0.45 C ATOM 662 O ILE A 36 -14.748 -6.564 -9.156 1.00 0.44 O ATOM 663 CB ILE A 36 -16.379 -4.183 -8.972 1.00 0.43 C ATOM 664 CG1 ILE A 36 -17.577 -3.475 -8.335 1.00 0.43 C ATOM 665 CG2 ILE A 36 -15.695 -3.264 -9.973 1.00 0.44 C ATOM 666 CD1 ILE A 36 -17.189 -2.335 -7.420 1.00 0.44 C ATOM 0 H ILE A 36 -17.431 -6.283 -7.820 1.00 0.45 H new ATOM 0 HA ILE A 36 -17.377 -5.255 -10.574 1.00 0.43 H new ATOM 0 HB ILE A 36 -15.664 -4.435 -8.189 1.00 0.43 H new ATOM 0 HG12 ILE A 36 -18.224 -3.092 -9.124 1.00 0.43 H new ATOM 0 HG13 ILE A 36 -18.160 -4.202 -7.769 1.00 0.43 H new ATOM 0 HG21 ILE A 36 -15.381 -2.349 -9.471 1.00 0.44 H new ATOM 0 HG22 ILE A 36 -14.822 -3.766 -10.391 1.00 0.44 H new ATOM 0 HG23 ILE A 36 -16.391 -3.018 -10.775 1.00 0.44 H new ATOM 0 HD11 ILE A 36 -18.088 -1.880 -7.004 1.00 0.44 H new ATOM 0 HD12 ILE A 36 -16.567 -2.715 -6.610 1.00 0.44 H new ATOM 0 HD13 ILE A 36 -16.632 -1.588 -7.986 1.00 0.44 H new ATOM 678 N PRO A 37 -15.468 -6.746 -11.277 1.00 0.53 N ATOM 679 CA PRO A 37 -14.301 -7.507 -11.727 1.00 0.60 C ATOM 680 C PRO A 37 -13.035 -6.649 -11.794 1.00 0.61 C ATOM 681 O PRO A 37 -11.919 -7.170 -11.773 1.00 0.71 O ATOM 682 CB PRO A 37 -14.698 -7.992 -13.122 1.00 0.73 C ATOM 683 CG PRO A 37 -15.736 -7.030 -13.587 1.00 0.76 C ATOM 684 CD PRO A 37 -16.453 -6.547 -12.355 1.00 0.60 C ATOM 0 HA PRO A 37 -14.057 -8.317 -11.039 1.00 0.60 H new ATOM 0 HB2 PRO A 37 -13.840 -8.002 -13.795 1.00 0.73 H new ATOM 0 HB3 PRO A 37 -15.089 -9.009 -13.089 1.00 0.73 H new ATOM 0 HG2 PRO A 37 -15.281 -6.197 -14.123 1.00 0.76 H new ATOM 0 HG3 PRO A 37 -16.430 -7.511 -14.276 1.00 0.76 H new ATOM 0 HD2 PRO A 37 -16.742 -5.500 -12.445 1.00 0.60 H new ATOM 0 HD3 PRO A 37 -17.365 -7.115 -12.174 1.00 0.60 H new ATOM 692 N GLU A 38 -13.215 -5.333 -11.862 1.00 0.57 N ATOM 693 CA GLU A 38 -12.090 -4.401 -11.922 1.00 0.61 C ATOM 694 C GLU A 38 -11.294 -4.425 -10.625 1.00 0.54 C ATOM 695 O GLU A 38 -10.082 -4.214 -10.622 1.00 0.62 O ATOM 696 CB GLU A 38 -12.573 -2.968 -12.188 1.00 0.75 C ATOM 697 CG GLU A 38 -13.073 -2.716 -13.603 1.00 0.99 C ATOM 698 CD GLU A 38 -14.270 -3.562 -13.967 1.00 1.67 C ATOM 699 OE1 GLU A 38 -15.333 -3.395 -13.332 1.00 2.46 O ATOM 700 OE2 GLU A 38 -14.162 -4.384 -14.899 1.00 2.04 O ATOM 0 H GLU A 38 -14.132 -4.886 -11.877 1.00 0.57 H new ATOM 0 HA GLU A 38 -11.450 -4.721 -12.744 1.00 0.61 H new ATOM 0 HB2 GLU A 38 -13.374 -2.734 -11.487 1.00 0.75 H new ATOM 0 HB3 GLU A 38 -11.755 -2.279 -11.979 1.00 0.75 H new ATOM 0 HG2 GLU A 38 -13.334 -1.663 -13.708 1.00 0.99 H new ATOM 0 HG3 GLU A 38 -12.266 -2.916 -14.308 1.00 0.99 H new ATOM 707 N ALA A 39 -11.989 -4.694 -9.530 1.00 0.47 N ATOM 708 CA ALA A 39 -11.383 -4.684 -8.209 1.00 0.47 C ATOM 709 C ALA A 39 -10.285 -5.736 -8.096 1.00 0.49 C ATOM 710 O ALA A 39 -9.231 -5.502 -7.511 1.00 0.55 O ATOM 711 CB ALA A 39 -12.456 -4.919 -7.155 1.00 0.47 C ATOM 0 H ALA A 39 -12.983 -4.924 -9.532 1.00 0.47 H new ATOM 0 HA ALA A 39 -10.923 -3.709 -8.046 1.00 0.47 H new ATOM 0 HB1 ALA A 39 -12.001 -4.911 -6.165 1.00 0.47 H new ATOM 0 HB2 ALA A 39 -13.205 -4.130 -7.216 1.00 0.47 H new ATOM 0 HB3 ALA A 39 -12.931 -5.884 -7.329 1.00 0.47 H new ATOM 717 N LEU A 40 -10.534 -6.884 -8.692 1.00 0.50 N ATOM 718 CA LEU A 40 -9.642 -8.028 -8.577 1.00 0.59 C ATOM 719 C LEU A 40 -8.728 -8.147 -9.790 1.00 0.67 C ATOM 720 O LEU A 40 -8.342 -9.249 -10.180 1.00 0.99 O ATOM 721 CB LEU A 40 -10.486 -9.278 -8.456 1.00 0.65 C ATOM 722 CG LEU A 40 -11.417 -9.488 -9.638 1.00 0.62 C ATOM 723 CD1 LEU A 40 -10.958 -10.670 -10.455 1.00 1.29 C ATOM 724 CD2 LEU A 40 -12.843 -9.643 -9.169 1.00 1.19 C ATOM 0 H LEU A 40 -11.358 -7.054 -9.269 1.00 0.50 H new ATOM 0 HA LEU A 40 -9.011 -7.897 -7.698 1.00 0.59 H new ATOM 0 HB2 LEU A 40 -9.830 -10.143 -8.360 1.00 0.65 H new ATOM 0 HB3 LEU A 40 -11.077 -9.223 -7.542 1.00 0.65 H new ATOM 0 HG LEU A 40 -11.384 -8.609 -10.281 1.00 0.62 H new ATOM 0 HD11 LEU A 40 -11.632 -10.812 -11.300 1.00 1.29 H new ATOM 0 HD12 LEU A 40 -9.948 -10.488 -10.823 1.00 1.29 H new ATOM 0 HD13 LEU A 40 -10.962 -11.565 -9.833 1.00 1.29 H new ATOM 0 HD21 LEU A 40 -13.495 -9.792 -10.030 1.00 1.19 H new ATOM 0 HD22 LEU A 40 -12.916 -10.504 -8.505 1.00 1.19 H new ATOM 0 HD23 LEU A 40 -13.150 -8.745 -8.633 1.00 1.19 H new ATOM 736 N ALA A 41 -8.372 -7.017 -10.375 1.00 0.65 N ATOM 737 CA ALA A 41 -7.505 -7.000 -11.553 1.00 0.74 C ATOM 738 C ALA A 41 -6.187 -7.741 -11.302 1.00 0.81 C ATOM 739 O ALA A 41 -5.520 -8.179 -12.240 1.00 1.15 O ATOM 740 CB ALA A 41 -7.236 -5.569 -11.988 1.00 0.92 C ATOM 0 H ALA A 41 -8.668 -6.094 -10.057 1.00 0.65 H new ATOM 0 HA ALA A 41 -8.026 -7.524 -12.354 1.00 0.74 H new ATOM 0 HB1 ALA A 41 -6.590 -5.571 -12.866 1.00 0.92 H new ATOM 0 HB2 ALA A 41 -8.179 -5.080 -12.233 1.00 0.92 H new ATOM 0 HB3 ALA A 41 -6.746 -5.028 -11.178 1.00 0.92 H new ATOM 746 N GLY A 42 -5.825 -7.882 -10.037 1.00 0.75 N ATOM 747 CA GLY A 42 -4.645 -8.641 -9.672 1.00 0.86 C ATOM 748 C GLY A 42 -4.991 -9.744 -8.695 1.00 0.80 C ATOM 749 O GLY A 42 -6.123 -10.225 -8.688 1.00 0.82 O ATOM 0 H GLY A 42 -6.332 -7.480 -9.248 1.00 0.75 H new ATOM 0 HA2 GLY A 42 -4.193 -9.071 -10.566 1.00 0.86 H new ATOM 0 HA3 GLY A 42 -3.904 -7.977 -9.228 1.00 0.86 H new ATOM 753 N PRO A 43 -4.049 -10.166 -7.846 1.00 0.83 N ATOM 754 CA PRO A 43 -4.305 -11.196 -6.844 1.00 0.82 C ATOM 755 C PRO A 43 -5.193 -10.671 -5.722 1.00 0.72 C ATOM 756 O PRO A 43 -4.822 -9.722 -5.034 1.00 0.66 O ATOM 757 CB PRO A 43 -2.910 -11.549 -6.303 1.00 0.94 C ATOM 758 CG PRO A 43 -1.935 -10.844 -7.191 1.00 1.09 C ATOM 759 CD PRO A 43 -2.670 -9.677 -7.779 1.00 0.98 C ATOM 0 HA PRO A 43 -4.829 -12.055 -7.264 1.00 0.82 H new ATOM 0 HB2 PRO A 43 -2.799 -11.226 -5.268 1.00 0.94 H new ATOM 0 HB3 PRO A 43 -2.746 -12.626 -6.320 1.00 0.94 H new ATOM 0 HG2 PRO A 43 -1.065 -10.511 -6.626 1.00 1.09 H new ATOM 0 HG3 PRO A 43 -1.571 -11.509 -7.974 1.00 1.09 H new ATOM 0 HD2 PRO A 43 -2.585 -8.788 -7.154 1.00 0.98 H new ATOM 0 HD3 PRO A 43 -2.286 -9.411 -8.764 1.00 0.98 H new ATOM 767 N PRO A 44 -6.379 -11.274 -5.527 1.00 0.76 N ATOM 768 CA PRO A 44 -7.342 -10.839 -4.504 1.00 0.73 C ATOM 769 C PRO A 44 -6.735 -10.799 -3.105 1.00 0.69 C ATOM 770 O PRO A 44 -7.136 -9.996 -2.264 1.00 0.74 O ATOM 771 CB PRO A 44 -8.459 -11.891 -4.571 1.00 0.93 C ATOM 772 CG PRO A 44 -7.901 -13.023 -5.367 1.00 0.99 C ATOM 773 CD PRO A 44 -6.885 -12.421 -6.293 1.00 0.89 C ATOM 0 HA PRO A 44 -7.688 -9.823 -4.693 1.00 0.73 H new ATOM 0 HB2 PRO A 44 -8.748 -12.219 -3.573 1.00 0.93 H new ATOM 0 HB3 PRO A 44 -9.353 -11.483 -5.043 1.00 0.93 H new ATOM 0 HG2 PRO A 44 -7.442 -13.768 -4.717 1.00 0.99 H new ATOM 0 HG3 PRO A 44 -8.687 -13.530 -5.927 1.00 0.99 H new ATOM 0 HD2 PRO A 44 -6.091 -13.127 -6.535 1.00 0.89 H new ATOM 0 HD3 PRO A 44 -7.333 -12.110 -7.237 1.00 0.89 H new ATOM 781 N ASN A 45 -5.751 -11.660 -2.871 1.00 0.72 N ATOM 782 CA ASN A 45 -5.075 -11.722 -1.580 1.00 0.77 C ATOM 783 C ASN A 45 -4.236 -10.473 -1.359 1.00 0.71 C ATOM 784 O ASN A 45 -3.990 -10.064 -0.224 1.00 0.85 O ATOM 785 CB ASN A 45 -4.182 -12.965 -1.498 1.00 0.87 C ATOM 786 CG ASN A 45 -4.967 -14.257 -1.600 1.00 1.41 C ATOM 787 OD1 ASN A 45 -5.469 -14.771 -0.601 1.00 2.21 O ATOM 788 ND2 ASN A 45 -5.060 -14.807 -2.802 1.00 1.37 N ATOM 0 H ASN A 45 -5.403 -12.326 -3.560 1.00 0.72 H new ATOM 0 HA ASN A 45 -5.836 -11.782 -0.802 1.00 0.77 H new ATOM 0 HB2 ASN A 45 -3.443 -12.930 -2.298 1.00 0.87 H new ATOM 0 HB3 ASN A 45 -3.633 -12.952 -0.556 1.00 0.87 H new ATOM 0 HD21 ASN A 45 -5.561 -15.687 -2.923 1.00 1.37 H new ATOM 0 HD22 ASN A 45 -4.630 -14.350 -3.606 1.00 1.37 H new ATOM 795 N ASP A 46 -3.828 -9.855 -2.457 1.00 0.61 N ATOM 796 CA ASP A 46 -2.960 -8.690 -2.412 1.00 0.68 C ATOM 797 C ASP A 46 -3.747 -7.418 -2.684 1.00 0.57 C ATOM 798 O ASP A 46 -3.193 -6.423 -3.135 1.00 0.61 O ATOM 799 CB ASP A 46 -1.831 -8.822 -3.438 1.00 0.83 C ATOM 800 CG ASP A 46 -0.888 -9.970 -3.131 1.00 1.22 C ATOM 801 OD1 ASP A 46 0.038 -9.786 -2.315 1.00 1.90 O ATOM 802 OD2 ASP A 46 -1.059 -11.059 -3.714 1.00 1.38 O ATOM 0 H ASP A 46 -4.088 -10.146 -3.399 1.00 0.61 H new ATOM 0 HA ASP A 46 -2.531 -8.632 -1.412 1.00 0.68 H new ATOM 0 HB2 ASP A 46 -2.262 -8.967 -4.429 1.00 0.83 H new ATOM 0 HB3 ASP A 46 -1.265 -7.891 -3.470 1.00 0.83 H new ATOM 807 N PHE A 47 -5.042 -7.452 -2.413 1.00 0.53 N ATOM 808 CA PHE A 47 -5.883 -6.270 -2.558 1.00 0.47 C ATOM 809 C PHE A 47 -6.548 -5.919 -1.234 1.00 0.44 C ATOM 810 O PHE A 47 -7.039 -6.798 -0.526 1.00 0.48 O ATOM 811 CB PHE A 47 -6.947 -6.489 -3.637 1.00 0.49 C ATOM 812 CG PHE A 47 -6.504 -6.097 -5.018 1.00 0.51 C ATOM 813 CD1 PHE A 47 -6.653 -4.800 -5.474 1.00 0.78 C ATOM 814 CD2 PHE A 47 -5.935 -7.036 -5.860 1.00 0.79 C ATOM 815 CE1 PHE A 47 -6.241 -4.449 -6.743 1.00 0.80 C ATOM 816 CE2 PHE A 47 -5.520 -6.690 -7.132 1.00 0.85 C ATOM 817 CZ PHE A 47 -5.692 -5.353 -7.568 1.00 0.63 C ATOM 0 H PHE A 47 -5.536 -8.285 -2.091 1.00 0.53 H new ATOM 0 HA PHE A 47 -5.246 -5.439 -2.862 1.00 0.47 H new ATOM 0 HB2 PHE A 47 -7.233 -7.541 -3.643 1.00 0.49 H new ATOM 0 HB3 PHE A 47 -7.838 -5.918 -3.376 1.00 0.49 H new ATOM 0 HD1 PHE A 47 -7.096 -4.055 -4.830 1.00 0.78 H new ATOM 0 HD2 PHE A 47 -5.814 -8.053 -5.518 1.00 0.79 H new ATOM 0 HE1 PHE A 47 -6.363 -3.429 -7.078 1.00 0.80 H new ATOM 0 HE2 PHE A 47 -5.072 -7.426 -7.783 1.00 0.85 H new ATOM 0 HZ PHE A 47 -5.382 -5.063 -8.561 1.00 0.63 H new ATOM 827 N GLY A 48 -6.533 -4.636 -0.890 1.00 0.42 N ATOM 828 CA GLY A 48 -7.165 -4.193 0.337 1.00 0.41 C ATOM 829 C GLY A 48 -7.929 -2.898 0.159 1.00 0.35 C ATOM 830 O GLY A 48 -8.013 -2.366 -0.948 1.00 0.34 O ATOM 0 H GLY A 48 -6.095 -3.896 -1.439 1.00 0.42 H new ATOM 0 HA2 GLY A 48 -7.845 -4.967 0.692 1.00 0.41 H new ATOM 0 HA3 GLY A 48 -6.405 -4.060 1.106 1.00 0.41 H new ATOM 834 N LEU A 49 -8.474 -2.385 1.252 1.00 0.31 N ATOM 835 CA LEU A 49 -9.291 -1.181 1.204 1.00 0.28 C ATOM 836 C LEU A 49 -8.492 0.046 1.633 1.00 0.29 C ATOM 837 O LEU A 49 -8.107 0.178 2.793 1.00 0.31 O ATOM 838 CB LEU A 49 -10.519 -1.337 2.104 1.00 0.26 C ATOM 839 CG LEU A 49 -11.447 -2.502 1.756 1.00 0.26 C ATOM 840 CD1 LEU A 49 -12.631 -2.535 2.708 1.00 0.27 C ATOM 841 CD2 LEU A 49 -11.930 -2.394 0.321 1.00 0.25 C ATOM 0 H LEU A 49 -8.365 -2.784 2.184 1.00 0.31 H new ATOM 0 HA LEU A 49 -9.614 -1.038 0.173 1.00 0.28 H new ATOM 0 HB2 LEU A 49 -10.180 -1.460 3.133 1.00 0.26 H new ATOM 0 HB3 LEU A 49 -11.095 -0.413 2.066 1.00 0.26 H new ATOM 0 HG LEU A 49 -10.885 -3.430 1.861 1.00 0.26 H new ATOM 0 HD11 LEU A 49 -13.283 -3.369 2.449 1.00 0.27 H new ATOM 0 HD12 LEU A 49 -12.273 -2.659 3.730 1.00 0.27 H new ATOM 0 HD13 LEU A 49 -13.188 -1.601 2.629 1.00 0.27 H new ATOM 0 HD21 LEU A 49 -12.589 -3.233 0.095 1.00 0.25 H new ATOM 0 HD22 LEU A 49 -12.475 -1.459 0.190 1.00 0.25 H new ATOM 0 HD23 LEU A 49 -11.074 -2.413 -0.353 1.00 0.25 H new ATOM 853 N PHE A 50 -8.223 0.921 0.684 1.00 0.29 N ATOM 854 CA PHE A 50 -7.566 2.185 0.976 1.00 0.30 C ATOM 855 C PHE A 50 -8.600 3.297 1.085 1.00 0.30 C ATOM 856 O PHE A 50 -9.391 3.515 0.175 1.00 0.31 O ATOM 857 CB PHE A 50 -6.537 2.525 -0.105 1.00 0.34 C ATOM 858 CG PHE A 50 -5.788 3.805 0.156 1.00 0.34 C ATOM 859 CD1 PHE A 50 -4.630 3.804 0.916 1.00 0.37 C ATOM 860 CD2 PHE A 50 -6.246 5.009 -0.359 1.00 0.36 C ATOM 861 CE1 PHE A 50 -3.946 4.980 1.162 1.00 0.38 C ATOM 862 CE2 PHE A 50 -5.565 6.185 -0.117 1.00 0.38 C ATOM 863 CZ PHE A 50 -4.413 6.171 0.644 1.00 0.37 C ATOM 0 H PHE A 50 -8.449 0.781 -0.301 1.00 0.29 H new ATOM 0 HA PHE A 50 -7.043 2.090 1.928 1.00 0.30 H new ATOM 0 HB2 PHE A 50 -5.822 1.706 -0.185 1.00 0.34 H new ATOM 0 HB3 PHE A 50 -7.044 2.601 -1.067 1.00 0.34 H new ATOM 0 HD1 PHE A 50 -4.257 2.875 1.321 1.00 0.37 H new ATOM 0 HD2 PHE A 50 -7.146 5.026 -0.956 1.00 0.36 H new ATOM 0 HE1 PHE A 50 -3.046 4.967 1.759 1.00 0.38 H new ATOM 0 HE2 PHE A 50 -5.933 7.116 -0.523 1.00 0.38 H new ATOM 0 HZ PHE A 50 -3.878 7.090 0.834 1.00 0.37 H new ATOM 873 N LEU A 51 -8.588 4.007 2.192 1.00 0.30 N ATOM 874 CA LEU A 51 -9.534 5.087 2.392 1.00 0.32 C ATOM 875 C LEU A 51 -8.900 6.391 1.941 1.00 0.36 C ATOM 876 O LEU A 51 -7.926 6.856 2.530 1.00 0.38 O ATOM 877 CB LEU A 51 -9.965 5.164 3.863 1.00 0.33 C ATOM 878 CG LEU A 51 -11.314 5.853 4.129 1.00 0.35 C ATOM 879 CD1 LEU A 51 -11.218 7.364 3.971 1.00 0.46 C ATOM 880 CD2 LEU A 51 -12.383 5.296 3.200 1.00 0.41 C ATOM 0 H LEU A 51 -7.938 3.859 2.964 1.00 0.30 H new ATOM 0 HA LEU A 51 -10.429 4.901 1.798 1.00 0.32 H new ATOM 0 HB2 LEU A 51 -10.011 4.151 4.262 1.00 0.33 H new ATOM 0 HB3 LEU A 51 -9.192 5.692 4.421 1.00 0.33 H new ATOM 0 HG LEU A 51 -11.591 5.645 5.162 1.00 0.35 H new ATOM 0 HD11 LEU A 51 -12.192 7.813 4.167 1.00 0.46 H new ATOM 0 HD12 LEU A 51 -10.488 7.758 4.678 1.00 0.46 H new ATOM 0 HD13 LEU A 51 -10.906 7.604 2.955 1.00 0.46 H new ATOM 0 HD21 LEU A 51 -13.333 5.792 3.399 1.00 0.41 H new ATOM 0 HD22 LEU A 51 -12.092 5.471 2.164 1.00 0.41 H new ATOM 0 HD23 LEU A 51 -12.491 4.225 3.370 1.00 0.41 H new ATOM 892 N SER A 52 -9.442 6.959 0.877 1.00 0.42 N ATOM 893 CA SER A 52 -8.918 8.194 0.325 1.00 0.53 C ATOM 894 C SER A 52 -9.606 9.388 0.968 1.00 0.61 C ATOM 895 O SER A 52 -10.745 9.721 0.634 1.00 0.93 O ATOM 896 CB SER A 52 -9.108 8.213 -1.191 1.00 0.67 C ATOM 897 OG SER A 52 -8.499 7.080 -1.787 1.00 1.28 O ATOM 0 H SER A 52 -10.248 6.582 0.378 1.00 0.42 H new ATOM 0 HA SER A 52 -7.851 8.255 0.540 1.00 0.53 H new ATOM 0 HB2 SER A 52 -10.172 8.228 -1.429 1.00 0.67 H new ATOM 0 HB3 SER A 52 -8.676 9.124 -1.605 1.00 0.67 H new ATOM 0 HG SER A 52 -7.744 6.786 -1.236 1.00 1.28 H new ATOM 903 N ASP A 53 -8.920 10.012 1.910 1.00 0.74 N ATOM 904 CA ASP A 53 -9.480 11.140 2.636 1.00 0.90 C ATOM 905 C ASP A 53 -9.303 12.423 1.842 1.00 1.04 C ATOM 906 O ASP A 53 -10.276 13.122 1.549 1.00 1.28 O ATOM 907 CB ASP A 53 -8.809 11.291 4.005 1.00 0.89 C ATOM 908 CG ASP A 53 -9.428 12.402 4.836 1.00 1.18 C ATOM 909 OD1 ASP A 53 -9.025 13.573 4.668 1.00 1.24 O ATOM 910 OD2 ASP A 53 -10.321 12.109 5.661 1.00 1.42 O ATOM 0 H ASP A 53 -7.973 9.757 2.191 1.00 0.74 H new ATOM 0 HA ASP A 53 -10.544 10.951 2.781 1.00 0.90 H new ATOM 0 HB2 ASP A 53 -8.884 10.349 4.549 1.00 0.89 H new ATOM 0 HB3 ASP A 53 -7.747 11.494 3.865 1.00 0.89 H new ATOM 915 N ASP A 54 -8.057 12.702 1.465 1.00 0.93 N ATOM 916 CA ASP A 54 -7.699 13.985 0.861 1.00 1.10 C ATOM 917 C ASP A 54 -6.215 14.024 0.520 1.00 1.02 C ATOM 918 O ASP A 54 -5.830 14.249 -0.626 1.00 1.22 O ATOM 919 CB ASP A 54 -8.036 15.128 1.832 1.00 1.26 C ATOM 920 CG ASP A 54 -7.498 16.473 1.386 1.00 1.47 C ATOM 921 OD1 ASP A 54 -8.133 17.118 0.529 1.00 1.73 O ATOM 922 OD2 ASP A 54 -6.451 16.905 1.919 1.00 1.45 O ATOM 0 H ASP A 54 -7.275 12.055 1.567 1.00 0.93 H new ATOM 0 HA ASP A 54 -8.271 14.106 -0.059 1.00 1.10 H new ATOM 0 HB2 ASP A 54 -9.118 15.196 1.941 1.00 1.26 H new ATOM 0 HB3 ASP A 54 -7.631 14.891 2.816 1.00 1.26 H new ATOM 927 N ASP A 55 -5.394 13.775 1.528 1.00 0.87 N ATOM 928 CA ASP A 55 -3.944 13.880 1.403 1.00 0.94 C ATOM 929 C ASP A 55 -3.307 12.498 1.527 1.00 0.87 C ATOM 930 O ASP A 55 -3.842 11.638 2.225 1.00 0.71 O ATOM 931 CB ASP A 55 -3.412 14.830 2.489 1.00 0.99 C ATOM 932 CG ASP A 55 -1.899 14.854 2.592 1.00 1.39 C ATOM 933 OD1 ASP A 55 -1.271 15.669 1.888 1.00 1.58 O ATOM 934 OD2 ASP A 55 -1.333 14.050 3.364 1.00 1.79 O ATOM 0 H ASP A 55 -5.711 13.495 2.456 1.00 0.87 H new ATOM 0 HA ASP A 55 -3.685 14.283 0.424 1.00 0.94 H new ATOM 0 HB2 ASP A 55 -3.769 15.839 2.283 1.00 0.99 H new ATOM 0 HB3 ASP A 55 -3.828 14.535 3.452 1.00 0.99 H new ATOM 939 N PRO A 56 -2.184 12.257 0.822 1.00 1.06 N ATOM 940 CA PRO A 56 -1.453 10.980 0.860 1.00 1.08 C ATOM 941 C PRO A 56 -1.213 10.426 2.270 1.00 0.98 C ATOM 942 O PRO A 56 -1.123 9.214 2.451 1.00 0.97 O ATOM 943 CB PRO A 56 -0.108 11.301 0.185 1.00 1.35 C ATOM 944 CG PRO A 56 -0.109 12.777 -0.055 1.00 1.48 C ATOM 945 CD PRO A 56 -1.547 13.191 -0.113 1.00 1.33 C ATOM 0 HA PRO A 56 -2.034 10.202 0.365 1.00 1.08 H new ATOM 0 HB2 PRO A 56 0.727 11.010 0.822 1.00 1.35 H new ATOM 0 HB3 PRO A 56 -0.001 10.754 -0.751 1.00 1.35 H new ATOM 0 HG2 PRO A 56 0.415 13.301 0.744 1.00 1.48 H new ATOM 0 HG3 PRO A 56 0.404 13.020 -0.986 1.00 1.48 H new ATOM 0 HD2 PRO A 56 -1.683 14.228 0.193 1.00 1.33 H new ATOM 0 HD3 PRO A 56 -1.955 13.100 -1.119 1.00 1.33 H new ATOM 953 N LYS A 57 -1.098 11.299 3.267 1.00 0.99 N ATOM 954 CA LYS A 57 -0.871 10.844 4.638 1.00 1.02 C ATOM 955 C LYS A 57 -2.195 10.591 5.351 1.00 0.82 C ATOM 956 O LYS A 57 -2.278 9.734 6.230 1.00 0.87 O ATOM 957 CB LYS A 57 -0.053 11.862 5.431 1.00 1.25 C ATOM 958 CG LYS A 57 1.240 12.282 4.751 1.00 1.51 C ATOM 959 CD LYS A 57 2.263 11.163 4.758 1.00 1.62 C ATOM 960 CE LYS A 57 2.607 10.737 6.174 1.00 2.08 C ATOM 961 NZ LYS A 57 3.102 11.870 7.000 1.00 2.93 N ATOM 0 H LYS A 57 -1.157 12.311 3.156 1.00 0.99 H new ATOM 0 HA LYS A 57 -0.310 9.911 4.582 1.00 1.02 H new ATOM 0 HB2 LYS A 57 -0.664 12.748 5.605 1.00 1.25 H new ATOM 0 HB3 LYS A 57 0.183 11.441 6.408 1.00 1.25 H new ATOM 0 HG2 LYS A 57 1.031 12.579 3.723 1.00 1.51 H new ATOM 0 HG3 LYS A 57 1.651 13.155 5.258 1.00 1.51 H new ATOM 0 HD2 LYS A 57 1.874 10.309 4.204 1.00 1.62 H new ATOM 0 HD3 LYS A 57 3.167 11.491 4.245 1.00 1.62 H new ATOM 0 HE2 LYS A 57 1.724 10.305 6.646 1.00 2.08 H new ATOM 0 HE3 LYS A 57 3.366 9.955 6.142 1.00 2.08 H new ATOM 0 HZ1 LYS A 57 3.497 11.504 7.890 1.00 2.93 H new ATOM 0 HZ2 LYS A 57 3.841 12.383 6.478 1.00 2.93 H new ATOM 0 HZ3 LYS A 57 2.315 12.516 7.211 1.00 2.93 H new ATOM 975 N LYS A 58 -3.225 11.343 4.973 1.00 0.69 N ATOM 976 CA LYS A 58 -4.549 11.171 5.556 1.00 0.65 C ATOM 977 C LYS A 58 -5.138 9.839 5.118 1.00 0.56 C ATOM 978 O LYS A 58 -5.900 9.208 5.855 1.00 0.63 O ATOM 979 CB LYS A 58 -5.475 12.302 5.119 1.00 0.73 C ATOM 980 CG LYS A 58 -5.004 13.684 5.531 1.00 0.94 C ATOM 981 CD LYS A 58 -5.887 14.748 4.912 1.00 1.24 C ATOM 982 CE LYS A 58 -5.443 16.151 5.279 1.00 1.55 C ATOM 983 NZ LYS A 58 -6.303 17.179 4.634 1.00 2.16 N ATOM 0 H LYS A 58 -3.167 12.076 4.266 1.00 0.69 H new ATOM 0 HA LYS A 58 -4.454 11.189 6.642 1.00 0.65 H new ATOM 0 HB2 LYS A 58 -5.578 12.274 4.034 1.00 0.73 H new ATOM 0 HB3 LYS A 58 -6.466 12.128 5.538 1.00 0.73 H new ATOM 0 HG2 LYS A 58 -5.023 13.773 6.617 1.00 0.94 H new ATOM 0 HG3 LYS A 58 -3.971 13.832 5.217 1.00 0.94 H new ATOM 0 HD2 LYS A 58 -5.878 14.639 3.828 1.00 1.24 H new ATOM 0 HD3 LYS A 58 -6.916 14.598 5.239 1.00 1.24 H new ATOM 0 HE2 LYS A 58 -5.477 16.273 6.362 1.00 1.55 H new ATOM 0 HE3 LYS A 58 -4.407 16.298 4.974 1.00 1.55 H new ATOM 0 HZ1 LYS A 58 -5.794 18.085 4.599 1.00 2.16 H new ATOM 0 HZ2 LYS A 58 -6.540 16.877 3.667 1.00 2.16 H new ATOM 0 HZ3 LYS A 58 -7.178 17.295 5.184 1.00 2.16 H new ATOM 997 N GLY A 59 -4.786 9.436 3.904 1.00 0.54 N ATOM 998 CA GLY A 59 -5.210 8.154 3.391 1.00 0.59 C ATOM 999 C GLY A 59 -4.641 7.018 4.208 1.00 0.54 C ATOM 1000 O GLY A 59 -3.501 7.086 4.664 1.00 0.58 O ATOM 0 H GLY A 59 -4.210 9.981 3.263 1.00 0.54 H new ATOM 0 HA2 GLY A 59 -6.299 8.100 3.398 1.00 0.59 H new ATOM 0 HA3 GLY A 59 -4.892 8.053 2.353 1.00 0.59 H new ATOM 1004 N ILE A 60 -5.419 5.965 4.379 1.00 0.49 N ATOM 1005 CA ILE A 60 -5.031 4.875 5.260 1.00 0.47 C ATOM 1006 C ILE A 60 -5.453 3.536 4.689 1.00 0.42 C ATOM 1007 O ILE A 60 -6.355 3.460 3.850 1.00 0.41 O ATOM 1008 CB ILE A 60 -5.648 5.020 6.668 1.00 0.51 C ATOM 1009 CG1 ILE A 60 -7.160 5.256 6.565 1.00 0.55 C ATOM 1010 CG2 ILE A 60 -4.968 6.142 7.438 1.00 0.60 C ATOM 1011 CD1 ILE A 60 -7.879 5.227 7.896 1.00 0.65 C ATOM 0 H ILE A 60 -6.322 5.840 3.921 1.00 0.49 H new ATOM 0 HA ILE A 60 -3.945 4.921 5.341 1.00 0.47 H new ATOM 0 HB ILE A 60 -5.486 4.093 7.218 1.00 0.51 H new ATOM 0 HG12 ILE A 60 -7.335 6.221 6.090 1.00 0.55 H new ATOM 0 HG13 ILE A 60 -7.592 4.497 5.913 1.00 0.55 H new ATOM 0 HG21 ILE A 60 -5.417 6.228 8.428 1.00 0.60 H new ATOM 0 HG22 ILE A 60 -3.905 5.922 7.540 1.00 0.60 H new ATOM 0 HG23 ILE A 60 -5.094 7.081 6.899 1.00 0.60 H new ATOM 0 HD11 ILE A 60 -8.943 5.402 7.738 1.00 0.65 H new ATOM 0 HD12 ILE A 60 -7.737 4.254 8.365 1.00 0.65 H new ATOM 0 HD13 ILE A 60 -7.476 6.005 8.544 1.00 0.65 H new ATOM 1023 N TRP A 61 -4.799 2.486 5.156 1.00 0.42 N ATOM 1024 CA TRP A 61 -5.173 1.134 4.788 1.00 0.40 C ATOM 1025 C TRP A 61 -6.108 0.558 5.832 1.00 0.40 C ATOM 1026 O TRP A 61 -5.777 0.509 7.019 1.00 0.48 O ATOM 1027 CB TRP A 61 -3.939 0.248 4.634 1.00 0.44 C ATOM 1028 CG TRP A 61 -3.153 0.554 3.403 1.00 0.43 C ATOM 1029 CD1 TRP A 61 -2.083 1.392 3.297 1.00 0.48 C ATOM 1030 CD2 TRP A 61 -3.384 0.027 2.094 1.00 0.41 C ATOM 1031 NE1 TRP A 61 -1.633 1.415 2.002 1.00 0.49 N ATOM 1032 CE2 TRP A 61 -2.413 0.584 1.245 1.00 0.45 C ATOM 1033 CE3 TRP A 61 -4.316 -0.864 1.561 1.00 0.41 C ATOM 1034 CZ2 TRP A 61 -2.347 0.280 -0.111 1.00 0.48 C ATOM 1035 CZ3 TRP A 61 -4.251 -1.167 0.215 1.00 0.45 C ATOM 1036 CH2 TRP A 61 -3.273 -0.597 -0.606 1.00 0.48 C ATOM 0 H TRP A 61 -4.004 2.546 5.793 1.00 0.42 H new ATOM 0 HA TRP A 61 -5.686 1.166 3.827 1.00 0.40 H new ATOM 0 HB2 TRP A 61 -3.299 0.371 5.507 1.00 0.44 H new ATOM 0 HB3 TRP A 61 -4.249 -0.797 4.610 1.00 0.44 H new ATOM 0 HD1 TRP A 61 -1.653 1.955 4.113 1.00 0.48 H new ATOM 0 HE1 TRP A 61 -0.844 1.963 1.659 1.00 0.49 H new ATOM 0 HE3 TRP A 61 -5.074 -1.308 2.189 1.00 0.41 H new ATOM 0 HZ2 TRP A 61 -1.594 0.719 -0.748 1.00 0.48 H new ATOM 0 HZ3 TRP A 61 -4.967 -1.855 -0.210 1.00 0.45 H new ATOM 0 HH2 TRP A 61 -3.248 -0.855 -1.654 1.00 0.48 H new ATOM 1047 N LEU A 62 -7.277 0.145 5.385 1.00 0.36 N ATOM 1048 CA LEU A 62 -8.287 -0.406 6.264 1.00 0.37 C ATOM 1049 C LEU A 62 -7.988 -1.869 6.559 1.00 0.42 C ATOM 1050 O LEU A 62 -7.975 -2.700 5.650 1.00 0.43 O ATOM 1051 CB LEU A 62 -9.666 -0.274 5.613 1.00 0.33 C ATOM 1052 CG LEU A 62 -10.045 1.139 5.161 1.00 0.31 C ATOM 1053 CD1 LEU A 62 -11.368 1.121 4.418 1.00 0.29 C ATOM 1054 CD2 LEU A 62 -10.131 2.074 6.350 1.00 0.35 C ATOM 0 H LEU A 62 -7.553 0.182 4.404 1.00 0.36 H new ATOM 0 HA LEU A 62 -8.279 0.148 7.203 1.00 0.37 H new ATOM 0 HB2 LEU A 62 -9.706 -0.937 4.749 1.00 0.33 H new ATOM 0 HB3 LEU A 62 -10.418 -0.625 6.320 1.00 0.33 H new ATOM 0 HG LEU A 62 -9.268 1.501 4.488 1.00 0.31 H new ATOM 0 HD11 LEU A 62 -11.623 2.133 4.104 1.00 0.29 H new ATOM 0 HD12 LEU A 62 -11.284 0.479 3.541 1.00 0.29 H new ATOM 0 HD13 LEU A 62 -12.149 0.738 5.075 1.00 0.29 H new ATOM 0 HD21 LEU A 62 -10.401 3.073 6.008 1.00 0.35 H new ATOM 0 HD22 LEU A 62 -10.888 1.711 7.045 1.00 0.35 H new ATOM 0 HD23 LEU A 62 -9.165 2.112 6.854 1.00 0.35 H new ATOM 1066 N GLU A 63 -7.731 -2.175 7.823 1.00 0.48 N ATOM 1067 CA GLU A 63 -7.455 -3.538 8.247 1.00 0.55 C ATOM 1068 C GLU A 63 -8.753 -4.322 8.414 1.00 0.52 C ATOM 1069 O GLU A 63 -9.819 -3.741 8.610 1.00 0.48 O ATOM 1070 CB GLU A 63 -6.693 -3.517 9.574 1.00 0.65 C ATOM 1071 CG GLU A 63 -7.498 -2.911 10.714 1.00 0.68 C ATOM 1072 CD GLU A 63 -6.681 -2.679 11.964 1.00 1.07 C ATOM 1073 OE1 GLU A 63 -6.616 -3.598 12.809 1.00 1.42 O ATOM 1074 OE2 GLU A 63 -6.084 -1.589 12.098 1.00 1.30 O ATOM 0 H GLU A 63 -7.708 -1.490 8.578 1.00 0.48 H new ATOM 0 HA GLU A 63 -6.850 -4.026 7.483 1.00 0.55 H new ATOM 0 HB2 GLU A 63 -6.408 -4.535 9.839 1.00 0.65 H new ATOM 0 HB3 GLU A 63 -5.770 -2.951 9.447 1.00 0.65 H new ATOM 0 HG2 GLU A 63 -7.924 -1.963 10.385 1.00 0.68 H new ATOM 0 HG3 GLU A 63 -8.333 -3.570 10.951 1.00 0.68 H new ATOM 1081 N ALA A 64 -8.657 -5.640 8.372 1.00 0.58 N ATOM 1082 CA ALA A 64 -9.825 -6.497 8.536 1.00 0.58 C ATOM 1083 C ALA A 64 -10.254 -6.554 10.000 1.00 0.60 C ATOM 1084 O ALA A 64 -11.228 -7.220 10.349 1.00 0.65 O ATOM 1085 CB ALA A 64 -9.531 -7.893 8.011 1.00 0.64 C ATOM 0 H ALA A 64 -7.782 -6.143 8.226 1.00 0.58 H new ATOM 0 HA ALA A 64 -10.647 -6.073 7.959 1.00 0.58 H new ATOM 0 HB1 ALA A 64 -10.411 -8.523 8.139 1.00 0.64 H new ATOM 0 HB2 ALA A 64 -9.276 -7.837 6.953 1.00 0.64 H new ATOM 0 HB3 ALA A 64 -8.695 -8.321 8.564 1.00 0.64 H new ATOM 1091 N GLY A 65 -9.528 -5.838 10.848 1.00 0.64 N ATOM 1092 CA GLY A 65 -9.803 -5.857 12.268 1.00 0.70 C ATOM 1093 C GLY A 65 -10.679 -4.706 12.726 1.00 0.70 C ATOM 1094 O GLY A 65 -10.780 -4.443 13.924 1.00 0.84 O ATOM 0 H GLY A 65 -8.748 -5.241 10.573 1.00 0.64 H new ATOM 0 HA2 GLY A 65 -10.289 -6.798 12.524 1.00 0.70 H new ATOM 0 HA3 GLY A 65 -8.860 -5.826 12.814 1.00 0.70 H new ATOM 1098 N LYS A 66 -11.309 -4.010 11.787 1.00 0.60 N ATOM 1099 CA LYS A 66 -12.243 -2.949 12.141 1.00 0.61 C ATOM 1100 C LYS A 66 -13.332 -2.823 11.079 1.00 0.54 C ATOM 1101 O LYS A 66 -13.175 -3.309 9.953 1.00 0.47 O ATOM 1102 CB LYS A 66 -11.518 -1.604 12.332 1.00 0.66 C ATOM 1103 CG LYS A 66 -11.570 -0.676 11.125 1.00 0.60 C ATOM 1104 CD LYS A 66 -10.728 -1.173 9.965 1.00 0.56 C ATOM 1105 CE LYS A 66 -11.476 -1.045 8.645 1.00 0.61 C ATOM 1106 NZ LYS A 66 -12.038 0.313 8.435 1.00 1.29 N ATOM 0 H LYS A 66 -11.192 -4.159 10.785 1.00 0.60 H new ATOM 0 HA LYS A 66 -12.707 -3.215 13.091 1.00 0.61 H new ATOM 0 HB2 LYS A 66 -11.955 -1.090 13.188 1.00 0.66 H new ATOM 0 HB3 LYS A 66 -10.474 -1.801 12.577 1.00 0.66 H new ATOM 0 HG2 LYS A 66 -12.604 -0.570 10.798 1.00 0.60 H new ATOM 0 HG3 LYS A 66 -11.226 0.315 11.419 1.00 0.60 H new ATOM 0 HD2 LYS A 66 -9.800 -0.604 9.916 1.00 0.56 H new ATOM 0 HD3 LYS A 66 -10.455 -2.215 10.131 1.00 0.56 H new ATOM 0 HE2 LYS A 66 -10.800 -1.285 7.824 1.00 0.61 H new ATOM 0 HE3 LYS A 66 -12.284 -1.776 8.617 1.00 0.61 H new ATOM 0 HZ1 LYS A 66 -12.151 0.488 7.416 1.00 1.29 H new ATOM 0 HZ2 LYS A 66 -12.964 0.382 8.903 1.00 1.29 H new ATOM 0 HZ3 LYS A 66 -11.393 1.022 8.838 1.00 1.29 H new ATOM 1120 N ALA A 67 -14.421 -2.162 11.428 1.00 0.57 N ATOM 1121 CA ALA A 67 -15.534 -1.985 10.515 1.00 0.52 C ATOM 1122 C ALA A 67 -15.354 -0.715 9.687 1.00 0.47 C ATOM 1123 O ALA A 67 -14.387 0.029 9.876 1.00 0.47 O ATOM 1124 CB ALA A 67 -16.836 -1.959 11.295 1.00 0.59 C ATOM 0 H ALA A 67 -14.558 -1.736 12.345 1.00 0.57 H new ATOM 0 HA ALA A 67 -15.566 -2.825 9.821 1.00 0.52 H new ATOM 0 HB1 ALA A 67 -17.670 -1.826 10.606 1.00 0.59 H new ATOM 0 HB2 ALA A 67 -16.956 -2.899 11.833 1.00 0.59 H new ATOM 0 HB3 ALA A 67 -16.818 -1.133 12.006 1.00 0.59 H new ATOM 1130 N LEU A 68 -16.271 -0.471 8.765 1.00 0.45 N ATOM 1131 CA LEU A 68 -16.172 0.687 7.882 1.00 0.40 C ATOM 1132 C LEU A 68 -16.623 1.957 8.598 1.00 0.43 C ATOM 1133 O LEU A 68 -15.856 2.913 8.731 1.00 0.44 O ATOM 1134 CB LEU A 68 -17.009 0.462 6.623 1.00 0.37 C ATOM 1135 CG LEU A 68 -16.597 -0.742 5.775 1.00 0.36 C ATOM 1136 CD1 LEU A 68 -17.545 -0.918 4.603 1.00 0.36 C ATOM 1137 CD2 LEU A 68 -15.171 -0.577 5.279 1.00 0.37 C ATOM 0 H LEU A 68 -17.092 -1.056 8.606 1.00 0.45 H new ATOM 0 HA LEU A 68 -15.128 0.811 7.595 1.00 0.40 H new ATOM 0 HB2 LEU A 68 -18.052 0.340 6.916 1.00 0.37 H new ATOM 0 HB3 LEU A 68 -16.954 1.358 6.004 1.00 0.37 H new ATOM 0 HG LEU A 68 -16.648 -1.635 6.398 1.00 0.36 H new ATOM 0 HD11 LEU A 68 -17.236 -1.780 4.011 1.00 0.36 H new ATOM 0 HD12 LEU A 68 -18.557 -1.077 4.975 1.00 0.36 H new ATOM 0 HD13 LEU A 68 -17.524 -0.024 3.980 1.00 0.36 H new ATOM 0 HD21 LEU A 68 -14.893 -1.442 4.677 1.00 0.37 H new ATOM 0 HD22 LEU A 68 -15.099 0.326 4.672 1.00 0.37 H new ATOM 0 HD23 LEU A 68 -14.496 -0.496 6.131 1.00 0.37 H new ATOM 1149 N ASP A 69 -17.853 1.926 9.096 1.00 0.47 N ATOM 1150 CA ASP A 69 -18.481 3.076 9.759 1.00 0.52 C ATOM 1151 C ASP A 69 -17.779 3.420 11.069 1.00 0.58 C ATOM 1152 O ASP A 69 -17.919 4.529 11.588 1.00 0.65 O ATOM 1153 CB ASP A 69 -19.967 2.777 9.999 1.00 0.58 C ATOM 1154 CG ASP A 69 -20.652 3.748 10.945 1.00 0.86 C ATOM 1155 OD1 ASP A 69 -21.100 4.821 10.482 1.00 1.14 O ATOM 1156 OD2 ASP A 69 -20.714 3.461 12.156 1.00 1.16 O ATOM 0 H ASP A 69 -18.451 1.101 9.054 1.00 0.47 H new ATOM 0 HA ASP A 69 -18.388 3.945 9.108 1.00 0.52 H new ATOM 0 HB2 ASP A 69 -20.488 2.791 9.042 1.00 0.58 H new ATOM 0 HB3 ASP A 69 -20.063 1.768 10.400 1.00 0.58 H new ATOM 1161 N TYR A 70 -17.016 2.466 11.592 1.00 0.59 N ATOM 1162 CA TYR A 70 -16.202 2.698 12.772 1.00 0.65 C ATOM 1163 C TYR A 70 -15.285 3.903 12.551 1.00 0.62 C ATOM 1164 O TYR A 70 -15.048 4.696 13.464 1.00 0.67 O ATOM 1165 CB TYR A 70 -15.398 1.429 13.097 1.00 0.69 C ATOM 1166 CG TYR A 70 -14.120 1.678 13.862 1.00 0.81 C ATOM 1167 CD1 TYR A 70 -14.131 1.919 15.229 1.00 1.02 C ATOM 1168 CD2 TYR A 70 -12.900 1.670 13.206 1.00 0.84 C ATOM 1169 CE1 TYR A 70 -12.956 2.147 15.918 1.00 1.21 C ATOM 1170 CE2 TYR A 70 -11.722 1.895 13.884 1.00 1.05 C ATOM 1171 CZ TYR A 70 -11.754 2.135 15.241 1.00 1.22 C ATOM 1172 OH TYR A 70 -10.581 2.363 15.926 1.00 1.45 O ATOM 0 H TYR A 70 -16.947 1.522 11.213 1.00 0.59 H new ATOM 0 HA TYR A 70 -16.844 2.924 13.624 1.00 0.65 H new ATOM 0 HB2 TYR A 70 -16.028 0.753 13.676 1.00 0.69 H new ATOM 0 HB3 TYR A 70 -15.155 0.919 12.165 1.00 0.69 H new ATOM 0 HD1 TYR A 70 -15.071 1.928 15.761 1.00 1.02 H new ATOM 0 HD2 TYR A 70 -12.872 1.484 12.143 1.00 0.84 H new ATOM 0 HE1 TYR A 70 -12.978 2.334 16.982 1.00 1.21 H new ATOM 0 HE2 TYR A 70 -10.780 1.883 13.356 1.00 1.05 H new ATOM 0 HH TYR A 70 -9.825 2.319 15.304 1.00 1.45 H new ATOM 1182 N TYR A 71 -14.771 4.030 11.332 1.00 0.57 N ATOM 1183 CA TYR A 71 -13.973 5.186 10.948 1.00 0.58 C ATOM 1184 C TYR A 71 -14.851 6.383 10.579 1.00 0.60 C ATOM 1185 O TYR A 71 -15.979 6.521 11.048 1.00 0.69 O ATOM 1186 CB TYR A 71 -13.050 4.842 9.786 1.00 0.56 C ATOM 1187 CG TYR A 71 -11.747 4.212 10.209 1.00 0.56 C ATOM 1188 CD1 TYR A 71 -10.758 4.964 10.817 1.00 0.58 C ATOM 1189 CD2 TYR A 71 -11.512 2.857 10.007 1.00 0.62 C ATOM 1190 CE1 TYR A 71 -9.569 4.384 11.217 1.00 0.63 C ATOM 1191 CE2 TYR A 71 -10.325 2.271 10.400 1.00 0.66 C ATOM 1192 CZ TYR A 71 -9.334 3.059 10.969 1.00 0.65 C ATOM 1193 OH TYR A 71 -8.173 2.462 11.408 1.00 0.72 O ATOM 0 H TYR A 71 -14.895 3.341 10.590 1.00 0.57 H new ATOM 0 HA TYR A 71 -13.370 5.463 11.813 1.00 0.58 H new ATOM 0 HB2 TYR A 71 -13.569 4.162 9.111 1.00 0.56 H new ATOM 0 HB3 TYR A 71 -12.837 5.750 9.222 1.00 0.56 H new ATOM 0 HD1 TYR A 71 -10.917 6.019 10.981 1.00 0.58 H new ATOM 0 HD2 TYR A 71 -12.271 2.252 9.534 1.00 0.62 H new ATOM 0 HE1 TYR A 71 -8.824 4.978 11.726 1.00 0.63 H new ATOM 0 HE2 TYR A 71 -10.169 1.211 10.266 1.00 0.66 H new ATOM 0 HH TYR A 71 -8.171 1.518 11.146 1.00 0.72 H new ATOM 1203 N MET A 72 -14.318 7.233 9.712 1.00 0.60 N ATOM 1204 CA MET A 72 -14.980 8.471 9.318 1.00 0.69 C ATOM 1205 C MET A 72 -15.899 8.257 8.116 1.00 0.63 C ATOM 1206 O MET A 72 -16.556 9.192 7.663 1.00 0.75 O ATOM 1207 CB MET A 72 -13.929 9.522 8.947 1.00 0.83 C ATOM 1208 CG MET A 72 -12.897 9.779 10.033 1.00 1.02 C ATOM 1209 SD MET A 72 -11.536 10.822 9.473 1.00 1.73 S ATOM 1210 CE MET A 72 -10.804 9.780 8.211 1.00 2.38 C ATOM 0 H MET A 72 -13.415 7.085 9.262 1.00 0.60 H new ATOM 0 HA MET A 72 -15.580 8.809 10.163 1.00 0.69 H new ATOM 0 HB2 MET A 72 -13.415 9.202 8.041 1.00 0.83 H new ATOM 0 HB3 MET A 72 -14.435 10.459 8.712 1.00 0.83 H new ATOM 0 HG2 MET A 72 -13.384 10.252 10.886 1.00 1.02 H new ATOM 0 HG3 MET A 72 -12.499 8.826 10.382 1.00 1.02 H new ATOM 0 HE1 MET A 72 -9.758 10.055 8.074 1.00 2.38 H new ATOM 0 HE2 MET A 72 -10.867 8.736 8.519 1.00 2.38 H new ATOM 0 HE3 MET A 72 -11.341 9.914 7.272 1.00 2.38 H new ATOM 1220 N LEU A 73 -15.957 7.030 7.610 1.00 0.56 N ATOM 1221 CA LEU A 73 -16.620 6.781 6.337 1.00 0.54 C ATOM 1222 C LEU A 73 -17.999 6.205 6.500 1.00 0.50 C ATOM 1223 O LEU A 73 -18.225 5.255 7.250 1.00 0.60 O ATOM 1224 CB LEU A 73 -15.798 5.874 5.423 1.00 0.71 C ATOM 1225 CG LEU A 73 -15.091 4.719 6.115 1.00 0.43 C ATOM 1226 CD1 LEU A 73 -14.994 3.517 5.194 1.00 0.88 C ATOM 1227 CD2 LEU A 73 -13.712 5.167 6.535 1.00 0.88 C ATOM 0 H LEU A 73 -15.559 6.203 8.055 1.00 0.56 H new ATOM 0 HA LEU A 73 -16.712 7.761 5.870 1.00 0.54 H new ATOM 0 HB2 LEU A 73 -16.456 5.467 4.655 1.00 0.71 H new ATOM 0 HB3 LEU A 73 -15.051 6.482 4.913 1.00 0.71 H new ATOM 0 HG LEU A 73 -15.665 4.423 6.993 1.00 0.43 H new ATOM 0 HD11 LEU A 73 -14.485 2.703 5.710 1.00 0.88 H new ATOM 0 HD12 LEU A 73 -15.996 3.195 4.909 1.00 0.88 H new ATOM 0 HD13 LEU A 73 -14.432 3.788 4.300 1.00 0.88 H new ATOM 0 HD21 LEU A 73 -13.198 4.344 7.032 1.00 0.88 H new ATOM 0 HD22 LEU A 73 -13.144 5.471 5.655 1.00 0.88 H new ATOM 0 HD23 LEU A 73 -13.796 6.010 7.221 1.00 0.88 H new ATOM 1239 N ARG A 74 -18.905 6.818 5.769 1.00 0.48 N ATOM 1240 CA ARG A 74 -20.293 6.433 5.713 1.00 0.52 C ATOM 1241 C ARG A 74 -20.823 6.797 4.340 1.00 0.46 C ATOM 1242 O ARG A 74 -20.106 6.689 3.346 1.00 0.45 O ATOM 1243 CB ARG A 74 -21.092 7.155 6.804 1.00 0.65 C ATOM 1244 CG ARG A 74 -20.608 6.822 8.192 1.00 1.17 C ATOM 1245 CD ARG A 74 -20.026 8.022 8.899 1.00 1.64 C ATOM 1246 NE ARG A 74 -19.163 7.595 9.986 1.00 2.05 N ATOM 1247 CZ ARG A 74 -19.158 8.132 11.204 1.00 2.72 C ATOM 1248 NH1 ARG A 74 -19.962 9.147 11.497 1.00 2.96 N ATOM 1249 NH2 ARG A 74 -18.340 7.657 12.132 1.00 3.29 N ATOM 0 H ARG A 74 -18.686 7.622 5.181 1.00 0.48 H new ATOM 0 HA ARG A 74 -20.394 5.361 5.883 1.00 0.52 H new ATOM 0 HB2 ARG A 74 -21.023 8.232 6.648 1.00 0.65 H new ATOM 0 HB3 ARG A 74 -22.145 6.887 6.716 1.00 0.65 H new ATOM 0 HG2 ARG A 74 -21.437 6.425 8.778 1.00 1.17 H new ATOM 0 HG3 ARG A 74 -19.854 6.037 8.133 1.00 1.17 H new ATOM 0 HD2 ARG A 74 -19.460 8.630 8.193 1.00 1.64 H new ATOM 0 HD3 ARG A 74 -20.829 8.649 9.287 1.00 1.64 H new ATOM 0 HE ARG A 74 -18.515 6.829 9.803 1.00 2.05 H new ATOM 0 HH11 ARG A 74 -20.590 9.522 10.786 1.00 2.96 H new ATOM 0 HH12 ARG A 74 -19.951 9.552 12.433 1.00 2.96 H new ATOM 0 HH21 ARG A 74 -17.715 6.881 11.913 1.00 3.29 H new ATOM 0 HH22 ARG A 74 -18.335 8.067 13.066 1.00 3.29 H new ATOM 1263 N ASN A 75 -22.055 7.249 4.285 1.00 0.49 N ATOM 1264 CA ASN A 75 -22.644 7.673 3.024 1.00 0.47 C ATOM 1265 C ASN A 75 -21.959 8.928 2.501 1.00 0.48 C ATOM 1266 O ASN A 75 -22.204 10.030 2.993 1.00 0.56 O ATOM 1267 CB ASN A 75 -24.147 7.910 3.182 1.00 0.52 C ATOM 1268 CG ASN A 75 -24.937 6.626 3.069 1.00 0.52 C ATOM 1269 OD1 ASN A 75 -25.409 6.269 1.995 1.00 0.72 O ATOM 1270 ND2 ASN A 75 -25.072 5.910 4.166 1.00 0.51 N ATOM 0 H ASN A 75 -22.672 7.334 5.093 1.00 0.49 H new ATOM 0 HA ASN A 75 -22.496 6.875 2.297 1.00 0.47 H new ATOM 0 HB2 ASN A 75 -24.342 8.372 4.150 1.00 0.52 H new ATOM 0 HB3 ASN A 75 -24.485 8.612 2.420 1.00 0.52 H new ATOM 0 HD21 ASN A 75 -25.583 5.027 4.139 1.00 0.51 H new ATOM 0 HD22 ASN A 75 -24.666 6.238 5.042 1.00 0.51 H new ATOM 1277 N GLY A 76 -21.067 8.752 1.530 1.00 0.45 N ATOM 1278 CA GLY A 76 -20.421 9.892 0.914 1.00 0.51 C ATOM 1279 C GLY A 76 -18.932 9.705 0.677 1.00 0.47 C ATOM 1280 O GLY A 76 -18.409 10.178 -0.333 1.00 0.55 O ATOM 0 H GLY A 76 -20.783 7.844 1.162 1.00 0.45 H new ATOM 0 HA2 GLY A 76 -20.907 10.101 -0.039 1.00 0.51 H new ATOM 0 HA3 GLY A 76 -20.571 10.767 1.546 1.00 0.51 H new ATOM 1284 N ASP A 77 -18.244 9.019 1.587 1.00 0.42 N ATOM 1285 CA ASP A 77 -16.790 8.923 1.521 1.00 0.42 C ATOM 1286 C ASP A 77 -16.329 8.056 0.356 1.00 0.38 C ATOM 1287 O ASP A 77 -17.016 7.116 -0.056 1.00 0.40 O ATOM 1288 CB ASP A 77 -16.235 8.371 2.834 1.00 0.44 C ATOM 1289 CG ASP A 77 -16.584 9.252 4.015 1.00 0.74 C ATOM 1290 OD1 ASP A 77 -17.679 9.078 4.593 1.00 1.00 O ATOM 1291 OD2 ASP A 77 -15.753 10.111 4.384 1.00 1.05 O ATOM 0 H ASP A 77 -18.667 8.525 2.373 1.00 0.42 H new ATOM 0 HA ASP A 77 -16.404 9.929 1.358 1.00 0.42 H new ATOM 0 HB2 ASP A 77 -16.629 7.369 3.001 1.00 0.44 H new ATOM 0 HB3 ASP A 77 -15.152 8.279 2.759 1.00 0.44 H new ATOM 1296 N THR A 78 -15.163 8.390 -0.177 1.00 0.36 N ATOM 1297 CA THR A 78 -14.567 7.633 -1.260 1.00 0.35 C ATOM 1298 C THR A 78 -13.596 6.596 -0.700 1.00 0.31 C ATOM 1299 O THR A 78 -12.749 6.914 0.141 1.00 0.34 O ATOM 1300 CB THR A 78 -13.818 8.565 -2.240 1.00 0.42 C ATOM 1301 OG1 THR A 78 -14.702 9.593 -2.713 1.00 0.50 O ATOM 1302 CG2 THR A 78 -13.263 7.790 -3.426 1.00 0.42 C ATOM 0 H THR A 78 -14.608 9.189 0.129 1.00 0.36 H new ATOM 0 HA THR A 78 -15.368 7.130 -1.802 1.00 0.35 H new ATOM 0 HB THR A 78 -12.984 9.015 -1.701 1.00 0.42 H new ATOM 0 HG1 THR A 78 -14.220 10.180 -3.332 1.00 0.50 H new ATOM 0 HG21 THR A 78 -12.742 8.474 -4.096 1.00 0.42 H new ATOM 0 HG22 THR A 78 -12.567 7.030 -3.071 1.00 0.42 H new ATOM 0 HG23 THR A 78 -14.082 7.310 -3.962 1.00 0.42 H new ATOM 1310 N MET A 79 -13.711 5.365 -1.166 1.00 0.27 N ATOM 1311 CA MET A 79 -12.858 4.294 -0.693 1.00 0.27 C ATOM 1312 C MET A 79 -12.207 3.603 -1.880 1.00 0.28 C ATOM 1313 O MET A 79 -12.874 2.955 -2.682 1.00 0.27 O ATOM 1314 CB MET A 79 -13.657 3.285 0.134 1.00 0.23 C ATOM 1315 CG MET A 79 -12.778 2.343 0.942 1.00 0.27 C ATOM 1316 SD MET A 79 -13.725 1.137 1.890 1.00 0.65 S ATOM 1317 CE MET A 79 -14.377 0.116 0.574 1.00 0.24 C ATOM 0 H MET A 79 -14.390 5.084 -1.874 1.00 0.27 H new ATOM 0 HA MET A 79 -12.085 4.718 -0.052 1.00 0.27 H new ATOM 0 HB2 MET A 79 -14.320 3.824 0.811 1.00 0.23 H new ATOM 0 HB3 MET A 79 -14.290 2.699 -0.532 1.00 0.23 H new ATOM 0 HG2 MET A 79 -12.102 1.817 0.268 1.00 0.27 H new ATOM 0 HG3 MET A 79 -12.159 2.927 1.623 1.00 0.27 H new ATOM 0 HE1 MET A 79 -14.493 -0.907 0.931 1.00 0.24 H new ATOM 0 HE2 MET A 79 -15.346 0.503 0.260 1.00 0.24 H new ATOM 0 HE3 MET A 79 -13.690 0.130 -0.272 1.00 0.24 H new ATOM 1327 N GLU A 80 -10.906 3.759 -1.985 1.00 0.32 N ATOM 1328 CA GLU A 80 -10.158 3.203 -3.095 1.00 0.35 C ATOM 1329 C GLU A 80 -9.916 1.721 -2.859 1.00 0.33 C ATOM 1330 O GLU A 80 -9.392 1.334 -1.813 1.00 0.33 O ATOM 1331 CB GLU A 80 -8.812 3.926 -3.223 1.00 0.40 C ATOM 1332 CG GLU A 80 -8.164 3.776 -4.590 1.00 0.53 C ATOM 1333 CD GLU A 80 -6.901 4.597 -4.740 1.00 0.69 C ATOM 1334 OE1 GLU A 80 -6.999 5.813 -5.004 1.00 1.04 O ATOM 1335 OE2 GLU A 80 -5.797 4.036 -4.580 1.00 1.04 O ATOM 0 H GLU A 80 -10.338 4.271 -1.310 1.00 0.32 H new ATOM 0 HA GLU A 80 -10.730 3.334 -4.014 1.00 0.35 H new ATOM 0 HB2 GLU A 80 -8.958 4.986 -3.014 1.00 0.40 H new ATOM 0 HB3 GLU A 80 -8.130 3.543 -2.464 1.00 0.40 H new ATOM 0 HG2 GLU A 80 -7.930 2.725 -4.762 1.00 0.53 H new ATOM 0 HG3 GLU A 80 -8.877 4.073 -5.359 1.00 0.53 H new ATOM 1342 N TYR A 81 -10.283 0.883 -3.812 1.00 0.33 N ATOM 1343 CA TYR A 81 -9.905 -0.508 -3.747 1.00 0.33 C ATOM 1344 C TYR A 81 -8.635 -0.660 -4.550 1.00 0.36 C ATOM 1345 O TYR A 81 -8.659 -0.665 -5.782 1.00 0.39 O ATOM 1346 CB TYR A 81 -11.008 -1.424 -4.292 1.00 0.33 C ATOM 1347 CG TYR A 81 -10.800 -2.896 -3.972 1.00 0.33 C ATOM 1348 CD1 TYR A 81 -11.144 -3.424 -2.733 1.00 0.34 C ATOM 1349 CD2 TYR A 81 -10.255 -3.757 -4.916 1.00 0.37 C ATOM 1350 CE1 TYR A 81 -10.949 -4.765 -2.447 1.00 0.36 C ATOM 1351 CE2 TYR A 81 -10.061 -5.096 -4.638 1.00 0.39 C ATOM 1352 CZ TYR A 81 -10.430 -5.590 -3.370 1.00 0.38 C ATOM 1353 OH TYR A 81 -10.219 -6.930 -3.124 1.00 0.42 O ATOM 0 H TYR A 81 -10.836 1.142 -4.629 1.00 0.33 H new ATOM 0 HA TYR A 81 -9.749 -0.804 -2.710 1.00 0.33 H new ATOM 0 HB2 TYR A 81 -11.967 -1.105 -3.883 1.00 0.33 H new ATOM 0 HB3 TYR A 81 -11.067 -1.302 -5.374 1.00 0.33 H new ATOM 0 HD1 TYR A 81 -11.571 -2.777 -1.980 1.00 0.34 H new ATOM 0 HD2 TYR A 81 -9.978 -3.372 -5.886 1.00 0.37 H new ATOM 0 HE1 TYR A 81 -11.217 -5.150 -1.474 1.00 0.36 H new ATOM 0 HE2 TYR A 81 -9.633 -5.754 -5.380 1.00 0.39 H new ATOM 0 HH TYR A 81 -10.692 -7.191 -2.307 1.00 0.42 H new ATOM 1363 N ARG A 82 -7.528 -0.750 -3.856 1.00 0.37 N ATOM 1364 CA ARG A 82 -6.244 -0.753 -4.526 1.00 0.39 C ATOM 1365 C ARG A 82 -5.403 -1.908 -4.043 1.00 0.40 C ATOM 1366 O ARG A 82 -5.608 -2.432 -2.942 1.00 0.42 O ATOM 1367 CB ARG A 82 -5.491 0.578 -4.352 1.00 0.42 C ATOM 1368 CG ARG A 82 -5.130 0.925 -2.917 1.00 0.44 C ATOM 1369 CD ARG A 82 -4.177 2.118 -2.846 1.00 0.56 C ATOM 1370 NE ARG A 82 -2.896 1.857 -3.513 1.00 0.65 N ATOM 1371 CZ ARG A 82 -1.868 2.716 -3.543 1.00 0.88 C ATOM 1372 NH1 ARG A 82 -1.960 3.899 -2.946 1.00 1.08 N ATOM 1373 NH2 ARG A 82 -0.756 2.393 -4.192 1.00 1.03 N ATOM 0 H ARG A 82 -7.485 -0.822 -2.839 1.00 0.37 H new ATOM 0 HA ARG A 82 -6.435 -0.873 -5.592 1.00 0.39 H new ATOM 0 HB2 ARG A 82 -4.576 0.541 -4.943 1.00 0.42 H new ATOM 0 HB3 ARG A 82 -6.103 1.381 -4.762 1.00 0.42 H new ATOM 0 HG2 ARG A 82 -6.038 1.151 -2.358 1.00 0.44 H new ATOM 0 HG3 ARG A 82 -4.668 0.061 -2.439 1.00 0.44 H new ATOM 0 HD2 ARG A 82 -4.651 2.985 -3.305 1.00 0.56 H new ATOM 0 HD3 ARG A 82 -3.994 2.370 -1.802 1.00 0.56 H new ATOM 0 HE ARG A 82 -2.780 0.961 -3.986 1.00 0.65 H new ATOM 0 HH11 ARG A 82 -2.818 4.160 -2.460 1.00 1.08 H new ATOM 0 HH12 ARG A 82 -1.173 4.547 -2.974 1.00 1.08 H new ATOM 0 HH21 ARG A 82 -0.686 1.493 -4.666 1.00 1.03 H new ATOM 0 HH22 ARG A 82 0.028 3.045 -4.216 1.00 1.03 H new ATOM 1387 N LYS A 83 -4.478 -2.314 -4.887 1.00 0.43 N ATOM 1388 CA LYS A 83 -3.589 -3.405 -4.579 1.00 0.45 C ATOM 1389 C LYS A 83 -2.749 -3.039 -3.369 1.00 0.42 C ATOM 1390 O LYS A 83 -2.205 -1.936 -3.303 1.00 0.42 O ATOM 1391 CB LYS A 83 -2.714 -3.701 -5.802 1.00 0.53 C ATOM 1392 CG LYS A 83 -1.877 -4.963 -5.693 1.00 0.60 C ATOM 1393 CD LYS A 83 -1.296 -5.341 -7.044 1.00 0.70 C ATOM 1394 CE LYS A 83 -0.414 -6.571 -6.954 1.00 1.25 C ATOM 1395 NZ LYS A 83 0.135 -6.954 -8.283 1.00 1.74 N ATOM 0 H LYS A 83 -4.324 -1.895 -5.804 1.00 0.43 H new ATOM 0 HA LYS A 83 -4.156 -4.305 -4.339 1.00 0.45 H new ATOM 0 HB2 LYS A 83 -3.355 -3.781 -6.680 1.00 0.53 H new ATOM 0 HB3 LYS A 83 -2.049 -2.854 -5.970 1.00 0.53 H new ATOM 0 HG2 LYS A 83 -1.071 -4.810 -4.975 1.00 0.60 H new ATOM 0 HG3 LYS A 83 -2.490 -5.780 -5.314 1.00 0.60 H new ATOM 0 HD2 LYS A 83 -2.106 -5.526 -7.749 1.00 0.70 H new ATOM 0 HD3 LYS A 83 -0.716 -4.506 -7.437 1.00 0.70 H new ATOM 0 HE2 LYS A 83 0.407 -6.380 -6.263 1.00 1.25 H new ATOM 0 HE3 LYS A 83 -0.989 -7.402 -6.545 1.00 1.25 H new ATOM 0 HZ1 LYS A 83 0.327 -7.976 -8.298 1.00 1.74 H new ATOM 0 HZ2 LYS A 83 -0.556 -6.721 -9.024 1.00 1.74 H new ATOM 0 HZ3 LYS A 83 1.018 -6.433 -8.457 1.00 1.74 H new ATOM 1409 N LYS A 84 -2.680 -3.956 -2.407 1.00 0.44 N ATOM 1410 CA LYS A 84 -1.916 -3.752 -1.183 1.00 0.46 C ATOM 1411 C LYS A 84 -0.509 -3.304 -1.514 1.00 0.46 C ATOM 1412 O LYS A 84 0.077 -2.478 -0.817 1.00 0.52 O ATOM 1413 CB LYS A 84 -1.847 -5.043 -0.369 1.00 0.54 C ATOM 1414 CG LYS A 84 -3.140 -5.427 0.323 1.00 0.55 C ATOM 1415 CD LYS A 84 -3.513 -4.431 1.407 1.00 0.66 C ATOM 1416 CE LYS A 84 -4.411 -5.071 2.450 1.00 0.67 C ATOM 1417 NZ LYS A 84 -3.680 -6.084 3.256 1.00 1.32 N ATOM 0 H LYS A 84 -3.152 -4.859 -2.456 1.00 0.44 H new ATOM 0 HA LYS A 84 -2.419 -2.983 -0.596 1.00 0.46 H new ATOM 0 HB2 LYS A 84 -1.549 -5.857 -1.030 1.00 0.54 H new ATOM 0 HB3 LYS A 84 -1.065 -4.940 0.383 1.00 0.54 H new ATOM 0 HG2 LYS A 84 -3.943 -5.483 -0.412 1.00 0.55 H new ATOM 0 HG3 LYS A 84 -3.038 -6.420 0.761 1.00 0.55 H new ATOM 0 HD2 LYS A 84 -2.609 -4.052 1.884 1.00 0.66 H new ATOM 0 HD3 LYS A 84 -4.021 -3.576 0.961 1.00 0.66 H new ATOM 0 HE2 LYS A 84 -4.810 -4.300 3.109 1.00 0.67 H new ATOM 0 HE3 LYS A 84 -5.262 -5.542 1.958 1.00 0.67 H new ATOM 0 HZ1 LYS A 84 -4.100 -6.141 4.206 1.00 1.32 H new ATOM 0 HZ2 LYS A 84 -3.748 -7.012 2.791 1.00 1.32 H new ATOM 0 HZ3 LYS A 84 -2.680 -5.809 3.335 1.00 1.32 H new ATOM 1431 N GLN A 85 0.016 -3.841 -2.599 1.00 0.44 N ATOM 1432 CA GLN A 85 1.352 -3.526 -3.043 1.00 0.47 C ATOM 1433 C GLN A 85 1.303 -2.543 -4.192 1.00 0.52 C ATOM 1434 O GLN A 85 0.323 -2.486 -4.933 1.00 0.83 O ATOM 1435 CB GLN A 85 2.082 -4.798 -3.474 1.00 0.53 C ATOM 1436 CG GLN A 85 1.184 -6.013 -3.583 1.00 0.50 C ATOM 1437 CD GLN A 85 1.966 -7.302 -3.682 1.00 0.64 C ATOM 1438 OE1 GLN A 85 2.271 -7.781 -4.775 1.00 1.10 O ATOM 1439 NE2 GLN A 85 2.308 -7.865 -2.536 1.00 0.72 N ATOM 0 H GLN A 85 -0.475 -4.508 -3.195 1.00 0.44 H new ATOM 0 HA GLN A 85 1.896 -3.073 -2.214 1.00 0.47 H new ATOM 0 HB2 GLN A 85 2.559 -4.623 -4.438 1.00 0.53 H new ATOM 0 HB3 GLN A 85 2.877 -5.009 -2.759 1.00 0.53 H new ATOM 0 HG2 GLN A 85 0.528 -6.055 -2.714 1.00 0.50 H new ATOM 0 HG3 GLN A 85 0.545 -5.911 -4.460 1.00 0.50 H new ATOM 0 HE21 GLN A 85 2.034 -7.433 -1.654 1.00 0.72 H new ATOM 0 HE22 GLN A 85 2.846 -8.731 -2.534 1.00 0.72 H new ATOM 1448 N ARG A 86 2.359 -1.771 -4.331 1.00 0.50 N ATOM 1449 CA ARG A 86 2.443 -0.767 -5.377 1.00 0.52 C ATOM 1450 C ARG A 86 3.793 -0.851 -6.081 1.00 0.50 C ATOM 1451 O ARG A 86 4.769 -1.306 -5.486 1.00 0.53 O ATOM 1452 CB ARG A 86 2.198 0.628 -4.786 1.00 0.67 C ATOM 1453 CG ARG A 86 2.258 0.681 -3.263 1.00 0.85 C ATOM 1454 CD ARG A 86 3.685 0.696 -2.742 1.00 0.98 C ATOM 1455 NE ARG A 86 4.345 1.967 -3.020 1.00 1.13 N ATOM 1456 CZ ARG A 86 4.352 2.995 -2.173 1.00 1.24 C ATOM 1457 NH1 ARG A 86 3.790 2.879 -0.979 1.00 1.62 N ATOM 1458 NH2 ARG A 86 4.934 4.131 -2.509 1.00 1.85 N ATOM 0 H ARG A 86 3.180 -1.818 -3.728 1.00 0.50 H new ATOM 0 HA ARG A 86 1.670 -0.955 -6.122 1.00 0.52 H new ATOM 0 HB2 ARG A 86 2.938 1.317 -5.192 1.00 0.67 H new ATOM 0 HB3 ARG A 86 1.220 0.982 -5.112 1.00 0.67 H new ATOM 0 HG2 ARG A 86 1.736 1.571 -2.912 1.00 0.85 H new ATOM 0 HG3 ARG A 86 1.732 -0.180 -2.851 1.00 0.85 H new ATOM 0 HD2 ARG A 86 3.682 0.514 -1.667 1.00 0.98 H new ATOM 0 HD3 ARG A 86 4.249 -0.116 -3.201 1.00 0.98 H new ATOM 0 HE ARG A 86 4.828 2.074 -3.912 1.00 1.13 H new ATOM 0 HH11 ARG A 86 3.350 2.000 -0.706 1.00 1.62 H new ATOM 0 HH12 ARG A 86 3.797 3.668 -0.333 1.00 1.62 H new ATOM 0 HH21 ARG A 86 5.381 4.225 -3.421 1.00 1.85 H new ATOM 0 HH22 ARG A 86 4.937 4.915 -1.857 1.00 1.85 H new ATOM 1472 N PRO A 87 3.857 -0.436 -7.362 1.00 0.52 N ATOM 1473 CA PRO A 87 5.069 -0.561 -8.180 1.00 0.52 C ATOM 1474 C PRO A 87 6.216 0.294 -7.654 1.00 0.53 C ATOM 1475 O PRO A 87 6.229 1.516 -7.817 1.00 0.62 O ATOM 1476 CB PRO A 87 4.635 -0.079 -9.571 1.00 0.57 C ATOM 1477 CG PRO A 87 3.144 -0.068 -9.544 1.00 0.86 C ATOM 1478 CD PRO A 87 2.757 0.185 -8.117 1.00 0.60 C ATOM 0 HA PRO A 87 5.448 -1.583 -8.176 1.00 0.52 H new ATOM 0 HB2 PRO A 87 5.031 0.914 -9.783 1.00 0.57 H new ATOM 0 HB3 PRO A 87 5.008 -0.744 -10.350 1.00 0.57 H new ATOM 0 HG2 PRO A 87 2.748 0.708 -10.199 1.00 0.86 H new ATOM 0 HG3 PRO A 87 2.741 -1.018 -9.895 1.00 0.86 H new ATOM 0 HD2 PRO A 87 2.672 1.251 -7.904 1.00 0.60 H new ATOM 0 HD3 PRO A 87 1.795 -0.266 -7.873 1.00 0.60 H new ATOM 1486 N LEU A 88 7.173 -0.364 -7.022 1.00 0.50 N ATOM 1487 CA LEU A 88 8.289 0.319 -6.396 1.00 0.53 C ATOM 1488 C LEU A 88 9.547 0.221 -7.241 1.00 0.44 C ATOM 1489 O LEU A 88 9.930 -0.868 -7.673 1.00 0.42 O ATOM 1490 CB LEU A 88 8.532 -0.230 -4.993 1.00 0.63 C ATOM 1491 CG LEU A 88 7.565 0.302 -3.940 1.00 0.88 C ATOM 1492 CD1 LEU A 88 7.868 -0.292 -2.577 1.00 1.19 C ATOM 1493 CD2 LEU A 88 7.646 1.818 -3.898 1.00 1.51 C ATOM 0 H LEU A 88 7.198 -1.379 -6.929 1.00 0.50 H new ATOM 0 HA LEU A 88 8.032 1.375 -6.315 1.00 0.53 H new ATOM 0 HB2 LEU A 88 8.459 -1.317 -5.022 1.00 0.63 H new ATOM 0 HB3 LEU A 88 9.551 0.013 -4.691 1.00 0.63 H new ATOM 0 HG LEU A 88 6.551 0.007 -4.209 1.00 0.88 H new ATOM 0 HD11 LEU A 88 7.165 0.103 -1.844 1.00 1.19 H new ATOM 0 HD12 LEU A 88 7.773 -1.377 -2.624 1.00 1.19 H new ATOM 0 HD13 LEU A 88 8.884 -0.029 -2.283 1.00 1.19 H new ATOM 0 HD21 LEU A 88 6.955 2.199 -3.146 1.00 1.51 H new ATOM 0 HD22 LEU A 88 8.662 2.121 -3.644 1.00 1.51 H new ATOM 0 HD23 LEU A 88 7.379 2.224 -4.874 1.00 1.51 H new ATOM 1505 N LYS A 89 10.184 1.359 -7.470 1.00 0.44 N ATOM 1506 CA LYS A 89 11.448 1.392 -8.187 1.00 0.42 C ATOM 1507 C LYS A 89 12.597 1.261 -7.202 1.00 0.39 C ATOM 1508 O LYS A 89 12.845 2.155 -6.401 1.00 0.42 O ATOM 1509 CB LYS A 89 11.588 2.680 -9.006 1.00 0.51 C ATOM 1510 CG LYS A 89 11.108 2.549 -10.446 1.00 0.69 C ATOM 1511 CD LYS A 89 9.627 2.208 -10.532 1.00 0.93 C ATOM 1512 CE LYS A 89 8.750 3.393 -10.160 1.00 1.49 C ATOM 1513 NZ LYS A 89 7.305 3.037 -10.199 1.00 2.11 N ATOM 0 H LYS A 89 9.845 2.273 -7.169 1.00 0.44 H new ATOM 0 HA LYS A 89 11.473 0.554 -8.883 1.00 0.42 H new ATOM 0 HB2 LYS A 89 11.024 3.474 -8.516 1.00 0.51 H new ATOM 0 HB3 LYS A 89 12.634 2.986 -9.008 1.00 0.51 H new ATOM 0 HG2 LYS A 89 11.295 3.483 -10.975 1.00 0.69 H new ATOM 0 HG3 LYS A 89 11.687 1.775 -10.951 1.00 0.69 H new ATOM 0 HD2 LYS A 89 9.388 1.883 -11.544 1.00 0.93 H new ATOM 0 HD3 LYS A 89 9.408 1.372 -9.868 1.00 0.93 H new ATOM 0 HE2 LYS A 89 9.013 3.742 -9.161 1.00 1.49 H new ATOM 0 HE3 LYS A 89 8.941 4.218 -10.846 1.00 1.49 H new ATOM 0 HZ1 LYS A 89 6.862 3.476 -11.031 1.00 2.11 H new ATOM 0 HZ2 LYS A 89 7.204 2.004 -10.257 1.00 2.11 H new ATOM 0 HZ3 LYS A 89 6.839 3.383 -9.336 1.00 2.11 H new ATOM 1527 N ILE A 90 13.291 0.143 -7.276 1.00 0.36 N ATOM 1528 CA ILE A 90 14.350 -0.173 -6.329 1.00 0.33 C ATOM 1529 C ILE A 90 15.677 -0.337 -7.061 1.00 0.35 C ATOM 1530 O ILE A 90 15.737 -1.022 -8.082 1.00 0.36 O ATOM 1531 CB ILE A 90 14.048 -1.481 -5.562 1.00 0.32 C ATOM 1532 CG1 ILE A 90 12.665 -1.427 -4.899 1.00 0.35 C ATOM 1533 CG2 ILE A 90 15.130 -1.752 -4.523 1.00 0.33 C ATOM 1534 CD1 ILE A 90 12.535 -0.360 -3.836 1.00 0.36 C ATOM 0 H ILE A 90 13.141 -0.571 -7.989 1.00 0.36 H new ATOM 0 HA ILE A 90 14.409 0.651 -5.618 1.00 0.33 H new ATOM 0 HB ILE A 90 14.043 -2.300 -6.281 1.00 0.32 H new ATOM 0 HG12 ILE A 90 11.911 -1.254 -5.667 1.00 0.35 H new ATOM 0 HG13 ILE A 90 12.449 -2.398 -4.453 1.00 0.35 H new ATOM 0 HG21 ILE A 90 14.902 -2.676 -3.992 1.00 0.33 H new ATOM 0 HG22 ILE A 90 16.096 -1.848 -5.020 1.00 0.33 H new ATOM 0 HG23 ILE A 90 15.168 -0.926 -3.813 1.00 0.33 H new ATOM 0 HD11 ILE A 90 11.530 -0.386 -3.416 1.00 0.36 H new ATOM 0 HD12 ILE A 90 13.264 -0.543 -3.046 1.00 0.36 H new ATOM 0 HD13 ILE A 90 12.718 0.619 -4.279 1.00 0.36 H new ATOM 1546 N ARG A 91 16.737 0.286 -6.557 1.00 0.38 N ATOM 1547 CA ARG A 91 18.066 0.107 -7.126 1.00 0.43 C ATOM 1548 C ARG A 91 18.919 -0.731 -6.174 1.00 0.42 C ATOM 1549 O ARG A 91 19.107 -0.368 -5.011 1.00 0.44 O ATOM 1550 CB ARG A 91 18.725 1.465 -7.371 1.00 0.52 C ATOM 1551 CG ARG A 91 19.968 1.405 -8.242 1.00 0.57 C ATOM 1552 CD ARG A 91 20.589 2.785 -8.412 1.00 0.74 C ATOM 1553 NE ARG A 91 19.660 3.741 -9.019 1.00 0.72 N ATOM 1554 CZ ARG A 91 19.535 5.012 -8.632 1.00 1.09 C ATOM 1555 NH1 ARG A 91 20.336 5.510 -7.696 1.00 1.82 N ATOM 1556 NH2 ARG A 91 18.628 5.791 -9.206 1.00 1.12 N ATOM 0 H ARG A 91 16.701 0.918 -5.757 1.00 0.38 H new ATOM 0 HA ARG A 91 17.980 -0.411 -8.081 1.00 0.43 H new ATOM 0 HB2 ARG A 91 17.999 2.130 -7.839 1.00 0.52 H new ATOM 0 HB3 ARG A 91 18.989 1.907 -6.410 1.00 0.52 H new ATOM 0 HG2 ARG A 91 20.696 0.728 -7.795 1.00 0.57 H new ATOM 0 HG3 ARG A 91 19.711 0.996 -9.219 1.00 0.57 H new ATOM 0 HD2 ARG A 91 20.909 3.160 -7.440 1.00 0.74 H new ATOM 0 HD3 ARG A 91 21.482 2.705 -9.032 1.00 0.74 H new ATOM 0 HE ARG A 91 19.072 3.415 -9.786 1.00 0.72 H new ATOM 0 HH11 ARG A 91 21.051 4.920 -7.270 1.00 1.82 H new ATOM 0 HH12 ARG A 91 20.236 6.482 -7.404 1.00 1.82 H new ATOM 0 HH21 ARG A 91 18.028 5.418 -9.942 1.00 1.12 H new ATOM 0 HH22 ARG A 91 18.531 6.763 -8.912 1.00 1.12 H new ATOM 1570 N MET A 92 19.413 -1.851 -6.673 1.00 0.42 N ATOM 1571 CA MET A 92 20.170 -2.807 -5.872 1.00 0.44 C ATOM 1572 C MET A 92 21.637 -2.411 -5.742 1.00 0.48 C ATOM 1573 O MET A 92 22.109 -1.507 -6.440 1.00 0.51 O ATOM 1574 CB MET A 92 20.064 -4.190 -6.514 1.00 0.46 C ATOM 1575 CG MET A 92 19.018 -5.094 -5.887 1.00 0.57 C ATOM 1576 SD MET A 92 17.483 -4.250 -5.469 1.00 1.04 S ATOM 1577 CE MET A 92 16.865 -3.860 -7.097 1.00 0.34 C ATOM 0 H MET A 92 19.302 -2.127 -7.649 1.00 0.42 H new ATOM 0 HA MET A 92 19.746 -2.818 -4.868 1.00 0.44 H new ATOM 0 HB2 MET A 92 19.835 -4.069 -7.573 1.00 0.46 H new ATOM 0 HB3 MET A 92 21.035 -4.681 -6.452 1.00 0.46 H new ATOM 0 HG2 MET A 92 18.797 -5.910 -6.575 1.00 0.57 H new ATOM 0 HG3 MET A 92 19.433 -5.542 -4.984 1.00 0.57 H new ATOM 0 HE1 MET A 92 15.788 -3.702 -7.049 1.00 0.34 H new ATOM 0 HE2 MET A 92 17.349 -2.954 -7.463 1.00 0.34 H new ATOM 0 HE3 MET A 92 17.080 -4.686 -7.775 1.00 0.34 H new ATOM 1587 N LEU A 93 22.351 -3.150 -4.884 1.00 0.49 N ATOM 1588 CA LEU A 93 23.726 -2.825 -4.485 1.00 0.55 C ATOM 1589 C LEU A 93 24.634 -2.677 -5.693 1.00 0.61 C ATOM 1590 O LEU A 93 25.446 -1.754 -5.768 1.00 0.69 O ATOM 1591 CB LEU A 93 24.326 -3.916 -3.579 1.00 0.57 C ATOM 1592 CG LEU A 93 23.590 -4.233 -2.271 1.00 0.57 C ATOM 1593 CD1 LEU A 93 23.111 -2.962 -1.591 1.00 0.68 C ATOM 1594 CD2 LEU A 93 22.440 -5.202 -2.506 1.00 0.79 C ATOM 0 H LEU A 93 21.988 -3.996 -4.444 1.00 0.49 H new ATOM 0 HA LEU A 93 23.668 -1.882 -3.942 1.00 0.55 H new ATOM 0 HB2 LEU A 93 24.392 -4.836 -4.159 1.00 0.57 H new ATOM 0 HB3 LEU A 93 25.346 -3.623 -3.329 1.00 0.57 H new ATOM 0 HG LEU A 93 24.298 -4.720 -1.601 1.00 0.57 H new ATOM 0 HD11 LEU A 93 22.593 -3.217 -0.667 1.00 0.68 H new ATOM 0 HD12 LEU A 93 23.967 -2.326 -1.364 1.00 0.68 H new ATOM 0 HD13 LEU A 93 22.429 -2.429 -2.254 1.00 0.68 H new ATOM 0 HD21 LEU A 93 21.938 -5.407 -1.560 1.00 0.79 H new ATOM 0 HD22 LEU A 93 21.730 -4.761 -3.206 1.00 0.79 H new ATOM 0 HD23 LEU A 93 22.827 -6.133 -2.920 1.00 0.79 H new ATOM 1606 N ASP A 94 24.484 -3.592 -6.639 1.00 0.61 N ATOM 1607 CA ASP A 94 25.346 -3.635 -7.811 1.00 0.69 C ATOM 1608 C ASP A 94 24.993 -2.518 -8.785 1.00 0.66 C ATOM 1609 O ASP A 94 25.686 -2.302 -9.779 1.00 0.70 O ATOM 1610 CB ASP A 94 25.247 -5.001 -8.497 1.00 0.76 C ATOM 1611 CG ASP A 94 23.906 -5.237 -9.159 1.00 1.47 C ATOM 1612 OD1 ASP A 94 22.879 -5.175 -8.456 1.00 2.26 O ATOM 1613 OD2 ASP A 94 23.868 -5.466 -10.385 1.00 1.93 O ATOM 0 H ASP A 94 23.769 -4.319 -6.617 1.00 0.61 H new ATOM 0 HA ASP A 94 26.375 -3.486 -7.484 1.00 0.69 H new ATOM 0 HB2 ASP A 94 26.035 -5.083 -9.246 1.00 0.76 H new ATOM 0 HB3 ASP A 94 25.425 -5.785 -7.760 1.00 0.76 H new ATOM 1618 N GLY A 95 23.917 -1.802 -8.489 1.00 0.61 N ATOM 1619 CA GLY A 95 23.535 -0.672 -9.305 1.00 0.61 C ATOM 1620 C GLY A 95 22.474 -1.032 -10.314 1.00 0.58 C ATOM 1621 O GLY A 95 22.302 -0.345 -11.321 1.00 0.64 O ATOM 0 H GLY A 95 23.302 -1.986 -7.696 1.00 0.61 H new ATOM 0 HA2 GLY A 95 23.168 0.129 -8.664 1.00 0.61 H new ATOM 0 HA3 GLY A 95 24.413 -0.288 -9.824 1.00 0.61 H new ATOM 1625 N THR A 96 21.761 -2.112 -10.049 1.00 0.54 N ATOM 1626 CA THR A 96 20.716 -2.564 -10.952 1.00 0.54 C ATOM 1627 C THR A 96 19.352 -2.178 -10.404 1.00 0.47 C ATOM 1628 O THR A 96 19.074 -2.376 -9.227 1.00 0.47 O ATOM 1629 CB THR A 96 20.789 -4.090 -11.171 1.00 0.62 C ATOM 1630 OG1 THR A 96 22.036 -4.426 -11.794 1.00 0.81 O ATOM 1631 CG2 THR A 96 19.641 -4.585 -12.040 1.00 0.61 C ATOM 0 H THR A 96 21.885 -2.691 -9.219 1.00 0.54 H new ATOM 0 HA THR A 96 20.866 -2.078 -11.916 1.00 0.54 H new ATOM 0 HB THR A 96 20.712 -4.574 -10.197 1.00 0.62 H new ATOM 0 HG1 THR A 96 22.473 -5.141 -11.286 1.00 0.81 H new ATOM 0 HG21 THR A 96 19.724 -5.664 -12.173 1.00 0.61 H new ATOM 0 HG22 THR A 96 18.692 -4.351 -11.557 1.00 0.61 H new ATOM 0 HG23 THR A 96 19.683 -4.095 -13.013 1.00 0.61 H new ATOM 1639 N VAL A 97 18.503 -1.629 -11.252 1.00 0.45 N ATOM 1640 CA VAL A 97 17.220 -1.132 -10.802 1.00 0.41 C ATOM 1641 C VAL A 97 16.077 -1.981 -11.358 1.00 0.38 C ATOM 1642 O VAL A 97 16.059 -2.345 -12.535 1.00 0.41 O ATOM 1643 CB VAL A 97 17.032 0.366 -11.158 1.00 0.50 C ATOM 1644 CG1 VAL A 97 17.220 0.609 -12.643 1.00 1.07 C ATOM 1645 CG2 VAL A 97 15.674 0.877 -10.698 1.00 1.11 C ATOM 0 H VAL A 97 18.678 -1.517 -12.251 1.00 0.45 H new ATOM 0 HA VAL A 97 17.199 -1.213 -9.715 1.00 0.41 H new ATOM 0 HB VAL A 97 17.802 0.925 -10.626 1.00 0.50 H new ATOM 0 HG11 VAL A 97 17.081 1.668 -12.859 1.00 1.07 H new ATOM 0 HG12 VAL A 97 18.225 0.307 -12.937 1.00 1.07 H new ATOM 0 HG13 VAL A 97 16.488 0.026 -13.203 1.00 1.07 H new ATOM 0 HG21 VAL A 97 15.573 1.930 -10.962 1.00 1.11 H new ATOM 0 HG22 VAL A 97 14.885 0.303 -11.185 1.00 1.11 H new ATOM 0 HG23 VAL A 97 15.590 0.764 -9.617 1.00 1.11 H new ATOM 1655 N LYS A 98 15.145 -2.305 -10.482 1.00 0.35 N ATOM 1656 CA LYS A 98 13.991 -3.114 -10.852 1.00 0.35 C ATOM 1657 C LYS A 98 12.741 -2.602 -10.165 1.00 0.36 C ATOM 1658 O LYS A 98 12.821 -1.849 -9.192 1.00 0.37 O ATOM 1659 CB LYS A 98 14.192 -4.593 -10.519 1.00 0.38 C ATOM 1660 CG LYS A 98 14.109 -4.919 -9.040 1.00 0.41 C ATOM 1661 CD LYS A 98 13.949 -6.412 -8.828 1.00 0.43 C ATOM 1662 CE LYS A 98 12.590 -6.904 -9.310 1.00 0.43 C ATOM 1663 NZ LYS A 98 11.496 -6.454 -8.438 1.00 0.94 N ATOM 0 H LYS A 98 15.162 -2.020 -9.503 1.00 0.35 H new ATOM 0 HA LYS A 98 13.876 -3.028 -11.932 1.00 0.35 H new ATOM 0 HB2 LYS A 98 13.441 -5.178 -11.050 1.00 0.38 H new ATOM 0 HB3 LYS A 98 15.166 -4.908 -10.894 1.00 0.38 H new ATOM 0 HG2 LYS A 98 15.009 -4.569 -8.534 1.00 0.41 H new ATOM 0 HG3 LYS A 98 13.267 -4.391 -8.593 1.00 0.41 H new ATOM 0 HD2 LYS A 98 14.738 -6.942 -9.360 1.00 0.43 H new ATOM 0 HD3 LYS A 98 14.066 -6.645 -7.770 1.00 0.43 H new ATOM 0 HE2 LYS A 98 12.415 -6.546 -10.324 1.00 0.43 H new ATOM 0 HE3 LYS A 98 12.594 -7.993 -9.353 1.00 0.43 H new ATOM 0 HZ1 LYS A 98 10.980 -7.280 -8.074 1.00 0.94 H new ATOM 0 HZ2 LYS A 98 11.888 -5.912 -7.641 1.00 0.94 H new ATOM 0 HZ3 LYS A 98 10.845 -5.851 -8.981 1.00 0.94 H new ATOM 1677 N THR A 99 11.590 -3.010 -10.665 1.00 0.40 N ATOM 1678 CA THR A 99 10.332 -2.678 -10.042 1.00 0.44 C ATOM 1679 C THR A 99 9.733 -3.919 -9.395 1.00 0.47 C ATOM 1680 O THR A 99 9.628 -4.965 -10.033 1.00 0.58 O ATOM 1681 CB THR A 99 9.334 -2.115 -11.071 1.00 0.48 C ATOM 1682 OG1 THR A 99 9.816 -0.873 -11.601 1.00 0.50 O ATOM 1683 CG2 THR A 99 7.968 -1.920 -10.442 1.00 0.57 C ATOM 0 H THR A 99 11.505 -3.577 -11.509 1.00 0.40 H new ATOM 0 HA THR A 99 10.522 -1.916 -9.286 1.00 0.44 H new ATOM 0 HB THR A 99 9.239 -2.833 -11.885 1.00 0.48 H new ATOM 0 HG1 THR A 99 9.174 -0.525 -12.255 1.00 0.50 H new ATOM 0 HG21 THR A 99 7.278 -1.522 -11.186 1.00 0.57 H new ATOM 0 HG22 THR A 99 7.595 -2.877 -10.078 1.00 0.57 H new ATOM 0 HG23 THR A 99 8.047 -1.221 -9.610 1.00 0.57 H new ATOM 1691 N ILE A 100 9.382 -3.831 -8.122 1.00 0.42 N ATOM 1692 CA ILE A 100 8.714 -4.928 -7.445 1.00 0.44 C ATOM 1693 C ILE A 100 7.484 -4.391 -6.726 1.00 0.45 C ATOM 1694 O ILE A 100 7.478 -3.243 -6.279 1.00 0.45 O ATOM 1695 CB ILE A 100 9.672 -5.654 -6.454 1.00 0.48 C ATOM 1696 CG1 ILE A 100 9.052 -6.950 -5.902 1.00 0.61 C ATOM 1697 CG2 ILE A 100 10.107 -4.736 -5.323 1.00 0.48 C ATOM 1698 CD1 ILE A 100 8.285 -6.789 -4.610 1.00 0.50 C ATOM 0 H ILE A 100 9.549 -3.011 -7.538 1.00 0.42 H new ATOM 0 HA ILE A 100 8.406 -5.668 -8.184 1.00 0.44 H new ATOM 0 HB ILE A 100 10.561 -5.931 -7.021 1.00 0.48 H new ATOM 0 HG12 ILE A 100 8.383 -7.365 -6.656 1.00 0.61 H new ATOM 0 HG13 ILE A 100 9.848 -7.679 -5.747 1.00 0.61 H new ATOM 0 HG21 ILE A 100 10.774 -5.277 -4.652 1.00 0.48 H new ATOM 0 HG22 ILE A 100 10.629 -3.872 -5.736 1.00 0.48 H new ATOM 0 HG23 ILE A 100 9.230 -4.400 -4.770 1.00 0.48 H new ATOM 0 HD11 ILE A 100 7.886 -7.755 -4.301 1.00 0.50 H new ATOM 0 HD12 ILE A 100 8.951 -6.407 -3.837 1.00 0.50 H new ATOM 0 HD13 ILE A 100 7.463 -6.088 -4.759 1.00 0.50 H new ATOM 1710 N MET A 101 6.433 -5.191 -6.652 1.00 0.47 N ATOM 1711 CA MET A 101 5.232 -4.760 -5.965 1.00 0.50 C ATOM 1712 C MET A 101 5.262 -5.198 -4.517 1.00 0.50 C ATOM 1713 O MET A 101 5.172 -6.381 -4.193 1.00 0.52 O ATOM 1714 CB MET A 101 3.998 -5.323 -6.658 1.00 0.56 C ATOM 1715 CG MET A 101 3.899 -4.925 -8.119 1.00 0.64 C ATOM 1716 SD MET A 101 2.195 -4.758 -8.662 1.00 0.98 S ATOM 1717 CE MET A 101 1.676 -3.399 -7.619 1.00 0.59 C ATOM 0 H MET A 101 6.388 -6.128 -7.053 1.00 0.47 H new ATOM 0 HA MET A 101 5.188 -3.671 -5.997 1.00 0.50 H new ATOM 0 HB2 MET A 101 4.012 -6.410 -6.585 1.00 0.56 H new ATOM 0 HB3 MET A 101 3.106 -4.980 -6.133 1.00 0.56 H new ATOM 0 HG2 MET A 101 4.422 -3.981 -8.273 1.00 0.64 H new ATOM 0 HG3 MET A 101 4.403 -5.672 -8.732 1.00 0.64 H new ATOM 0 HE1 MET A 101 0.894 -2.832 -8.123 1.00 0.59 H new ATOM 0 HE2 MET A 101 1.291 -3.790 -6.677 1.00 0.59 H new ATOM 0 HE3 MET A 101 2.527 -2.747 -7.421 1.00 0.59 H new ATOM 1727 N VAL A 102 5.381 -4.209 -3.651 1.00 0.50 N ATOM 1728 CA VAL A 102 5.456 -4.454 -2.223 1.00 0.53 C ATOM 1729 C VAL A 102 4.360 -3.701 -1.497 1.00 0.49 C ATOM 1730 O VAL A 102 4.074 -2.543 -1.810 1.00 0.50 O ATOM 1731 CB VAL A 102 6.827 -4.072 -1.630 1.00 0.61 C ATOM 1732 CG1 VAL A 102 7.325 -5.190 -0.732 1.00 0.73 C ATOM 1733 CG2 VAL A 102 7.840 -3.766 -2.721 1.00 0.90 C ATOM 0 H VAL A 102 5.428 -3.224 -3.913 1.00 0.50 H new ATOM 0 HA VAL A 102 5.322 -5.526 -2.082 1.00 0.53 H new ATOM 0 HB VAL A 102 6.705 -3.165 -1.038 1.00 0.61 H new ATOM 0 HG11 VAL A 102 8.294 -4.917 -0.314 1.00 0.73 H new ATOM 0 HG12 VAL A 102 6.613 -5.351 0.078 1.00 0.73 H new ATOM 0 HG13 VAL A 102 7.426 -6.106 -1.314 1.00 0.73 H new ATOM 0 HG21 VAL A 102 8.795 -3.501 -2.267 1.00 0.90 H new ATOM 0 HG22 VAL A 102 7.970 -4.644 -3.353 1.00 0.90 H new ATOM 0 HG23 VAL A 102 7.482 -2.933 -3.326 1.00 0.90 H new ATOM 1743 N ASP A 103 3.730 -4.391 -0.557 1.00 0.48 N ATOM 1744 CA ASP A 103 2.582 -3.868 0.172 1.00 0.47 C ATOM 1745 C ASP A 103 2.927 -2.582 0.911 1.00 0.46 C ATOM 1746 O ASP A 103 3.946 -2.497 1.596 1.00 0.51 O ATOM 1747 CB ASP A 103 2.064 -4.912 1.165 1.00 0.51 C ATOM 1748 CG ASP A 103 1.817 -6.260 0.524 1.00 1.22 C ATOM 1749 OD1 ASP A 103 2.792 -6.928 0.133 1.00 1.96 O ATOM 1750 OD2 ASP A 103 0.638 -6.656 0.415 1.00 1.56 O ATOM 0 H ASP A 103 4.001 -5.333 -0.277 1.00 0.48 H new ATOM 0 HA ASP A 103 1.804 -3.642 -0.557 1.00 0.47 H new ATOM 0 HB2 ASP A 103 2.785 -5.026 1.974 1.00 0.51 H new ATOM 0 HB3 ASP A 103 1.137 -4.553 1.613 1.00 0.51 H new ATOM 1755 N ASP A 104 2.063 -1.593 0.760 1.00 0.46 N ATOM 1756 CA ASP A 104 2.214 -0.311 1.437 1.00 0.47 C ATOM 1757 C ASP A 104 1.613 -0.401 2.837 1.00 0.46 C ATOM 1758 O ASP A 104 1.817 0.467 3.687 1.00 0.54 O ATOM 1759 CB ASP A 104 1.521 0.785 0.616 1.00 0.54 C ATOM 1760 CG ASP A 104 1.598 2.163 1.248 1.00 0.66 C ATOM 1761 OD1 ASP A 104 2.724 2.632 1.519 1.00 1.08 O ATOM 1762 OD2 ASP A 104 0.539 2.754 1.521 1.00 0.64 O ATOM 0 H ASP A 104 1.236 -1.653 0.165 1.00 0.46 H new ATOM 0 HA ASP A 104 3.271 -0.061 1.528 1.00 0.47 H new ATOM 0 HB2 ASP A 104 1.973 0.824 -0.375 1.00 0.54 H new ATOM 0 HB3 ASP A 104 0.474 0.516 0.479 1.00 0.54 H new ATOM 1767 N SER A 105 0.890 -1.487 3.074 1.00 0.43 N ATOM 1768 CA SER A 105 0.198 -1.696 4.337 1.00 0.49 C ATOM 1769 C SER A 105 1.089 -2.375 5.386 1.00 0.57 C ATOM 1770 O SER A 105 0.608 -2.795 6.443 1.00 0.96 O ATOM 1771 CB SER A 105 -1.059 -2.527 4.086 1.00 0.52 C ATOM 1772 OG SER A 105 -0.763 -3.667 3.292 1.00 1.27 O ATOM 0 H SER A 105 0.767 -2.243 2.401 1.00 0.43 H new ATOM 0 HA SER A 105 -0.072 -0.720 4.741 1.00 0.49 H new ATOM 0 HB2 SER A 105 -1.487 -2.843 5.037 1.00 0.52 H new ATOM 0 HB3 SER A 105 -1.810 -1.916 3.586 1.00 0.52 H new ATOM 0 HG SER A 105 -1.264 -4.439 3.629 1.00 1.27 H new ATOM 1778 N LYS A 106 2.379 -2.494 5.100 1.00 0.45 N ATOM 1779 CA LYS A 106 3.308 -3.099 6.044 1.00 0.49 C ATOM 1780 C LYS A 106 4.561 -2.246 6.221 1.00 0.52 C ATOM 1781 O LYS A 106 4.647 -1.136 5.693 1.00 0.65 O ATOM 1782 CB LYS A 106 3.661 -4.519 5.599 1.00 0.58 C ATOM 1783 CG LYS A 106 3.904 -4.660 4.108 1.00 0.69 C ATOM 1784 CD LYS A 106 5.382 -4.752 3.773 1.00 0.58 C ATOM 1785 CE LYS A 106 5.593 -5.136 2.317 1.00 1.00 C ATOM 1786 NZ LYS A 106 5.067 -6.497 2.016 1.00 2.02 N ATOM 0 H LYS A 106 2.804 -2.181 4.227 1.00 0.45 H new ATOM 0 HA LYS A 106 2.819 -3.153 7.017 1.00 0.49 H new ATOM 0 HB2 LYS A 106 4.553 -4.844 6.134 1.00 0.58 H new ATOM 0 HB3 LYS A 106 2.853 -5.190 5.889 1.00 0.58 H new ATOM 0 HG2 LYS A 106 3.394 -5.551 3.741 1.00 0.69 H new ATOM 0 HG3 LYS A 106 3.468 -3.807 3.588 1.00 0.69 H new ATOM 0 HD2 LYS A 106 5.863 -3.795 3.973 1.00 0.58 H new ATOM 0 HD3 LYS A 106 5.859 -5.489 4.419 1.00 0.58 H new ATOM 0 HE2 LYS A 106 5.100 -4.407 1.675 1.00 1.00 H new ATOM 0 HE3 LYS A 106 6.657 -5.099 2.083 1.00 1.00 H new ATOM 0 HZ1 LYS A 106 5.561 -6.885 1.187 1.00 2.02 H new ATOM 0 HZ2 LYS A 106 5.224 -7.119 2.835 1.00 2.02 H new ATOM 0 HZ3 LYS A 106 4.048 -6.439 1.816 1.00 2.02 H new ATOM 1800 N THR A 107 5.513 -2.755 6.989 1.00 0.53 N ATOM 1801 CA THR A 107 6.726 -2.014 7.299 1.00 0.57 C ATOM 1802 C THR A 107 7.876 -2.348 6.341 1.00 0.52 C ATOM 1803 O THR A 107 7.727 -3.147 5.415 1.00 0.54 O ATOM 1804 CB THR A 107 7.159 -2.274 8.752 1.00 0.69 C ATOM 1805 OG1 THR A 107 6.905 -3.639 9.098 1.00 0.76 O ATOM 1806 CG2 THR A 107 6.416 -1.358 9.711 1.00 0.74 C ATOM 0 H THR A 107 5.468 -3.683 7.411 1.00 0.53 H new ATOM 0 HA THR A 107 6.493 -0.957 7.173 1.00 0.57 H new ATOM 0 HB THR A 107 8.226 -2.069 8.833 1.00 0.69 H new ATOM 0 HG1 THR A 107 7.184 -3.799 10.024 1.00 0.76 H new ATOM 0 HG21 THR A 107 6.739 -1.561 10.732 1.00 0.74 H new ATOM 0 HG22 THR A 107 6.631 -0.319 9.462 1.00 0.74 H new ATOM 0 HG23 THR A 107 5.344 -1.537 9.628 1.00 0.74 H new ATOM 1814 N VAL A 108 9.026 -1.724 6.588 1.00 0.49 N ATOM 1815 CA VAL A 108 10.186 -1.806 5.701 1.00 0.47 C ATOM 1816 C VAL A 108 10.739 -3.221 5.580 1.00 0.42 C ATOM 1817 O VAL A 108 10.927 -3.727 4.482 1.00 0.44 O ATOM 1818 CB VAL A 108 11.318 -0.907 6.219 1.00 0.55 C ATOM 1819 CG1 VAL A 108 12.451 -0.822 5.209 1.00 0.61 C ATOM 1820 CG2 VAL A 108 10.790 0.474 6.577 1.00 0.60 C ATOM 0 H VAL A 108 9.181 -1.144 7.413 1.00 0.49 H new ATOM 0 HA VAL A 108 9.838 -1.481 4.721 1.00 0.47 H new ATOM 0 HB VAL A 108 11.720 -1.355 7.128 1.00 0.55 H new ATOM 0 HG11 VAL A 108 13.240 -0.179 5.600 1.00 0.61 H new ATOM 0 HG12 VAL A 108 12.852 -1.819 5.027 1.00 0.61 H new ATOM 0 HG13 VAL A 108 12.075 -0.406 4.274 1.00 0.61 H new ATOM 0 HG21 VAL A 108 11.609 1.094 6.942 1.00 0.60 H new ATOM 0 HG22 VAL A 108 10.351 0.936 5.693 1.00 0.60 H new ATOM 0 HG23 VAL A 108 10.031 0.383 7.354 1.00 0.60 H new ATOM 1830 N THR A 109 11.053 -3.809 6.720 1.00 0.43 N ATOM 1831 CA THR A 109 11.658 -5.140 6.797 1.00 0.43 C ATOM 1832 C THR A 109 11.004 -6.163 5.862 1.00 0.44 C ATOM 1833 O THR A 109 11.697 -6.818 5.081 1.00 0.45 O ATOM 1834 CB THR A 109 11.603 -5.652 8.240 1.00 0.51 C ATOM 1835 OG1 THR A 109 12.140 -4.647 9.107 1.00 0.56 O ATOM 1836 CG2 THR A 109 12.390 -6.944 8.397 1.00 0.56 C ATOM 0 H THR A 109 10.896 -3.378 7.631 1.00 0.43 H new ATOM 0 HA THR A 109 12.691 -5.031 6.468 1.00 0.43 H new ATOM 0 HB THR A 109 10.565 -5.861 8.501 1.00 0.51 H new ATOM 0 HG1 THR A 109 12.108 -4.964 10.034 1.00 0.56 H new ATOM 0 HG21 THR A 109 12.332 -7.282 9.432 1.00 0.56 H new ATOM 0 HG22 THR A 109 11.971 -7.707 7.742 1.00 0.56 H new ATOM 0 HG23 THR A 109 13.432 -6.770 8.130 1.00 0.56 H new ATOM 1844 N ASP A 110 9.683 -6.296 5.934 1.00 0.47 N ATOM 1845 CA ASP A 110 8.962 -7.237 5.078 1.00 0.51 C ATOM 1846 C ASP A 110 9.156 -6.870 3.609 1.00 0.49 C ATOM 1847 O ASP A 110 9.336 -7.738 2.751 1.00 0.54 O ATOM 1848 CB ASP A 110 7.470 -7.243 5.426 1.00 0.57 C ATOM 1849 CG ASP A 110 6.705 -8.335 4.698 1.00 0.65 C ATOM 1850 OD1 ASP A 110 6.366 -8.141 3.516 1.00 0.70 O ATOM 1851 OD2 ASP A 110 6.425 -9.387 5.310 1.00 0.76 O ATOM 0 H ASP A 110 9.090 -5.767 6.573 1.00 0.47 H new ATOM 0 HA ASP A 110 9.363 -8.236 5.248 1.00 0.51 H new ATOM 0 HB2 ASP A 110 7.352 -7.377 6.501 1.00 0.57 H new ATOM 0 HB3 ASP A 110 7.038 -6.274 5.176 1.00 0.57 H new ATOM 1856 N MET A 111 9.144 -5.572 3.336 1.00 0.46 N ATOM 1857 CA MET A 111 9.382 -5.061 1.991 1.00 0.46 C ATOM 1858 C MET A 111 10.791 -5.412 1.518 1.00 0.40 C ATOM 1859 O MET A 111 10.967 -5.933 0.418 1.00 0.43 O ATOM 1860 CB MET A 111 9.160 -3.542 1.960 1.00 0.51 C ATOM 1861 CG MET A 111 9.760 -2.841 0.748 1.00 0.50 C ATOM 1862 SD MET A 111 9.352 -1.086 0.689 1.00 0.75 S ATOM 1863 CE MET A 111 9.757 -0.604 2.363 1.00 0.67 C ATOM 0 H MET A 111 8.971 -4.848 4.034 1.00 0.46 H new ATOM 0 HA MET A 111 8.674 -5.532 1.309 1.00 0.46 H new ATOM 0 HB2 MET A 111 8.089 -3.343 1.985 1.00 0.51 H new ATOM 0 HB3 MET A 111 9.586 -3.107 2.864 1.00 0.51 H new ATOM 0 HG2 MET A 111 10.844 -2.958 0.765 1.00 0.50 H new ATOM 0 HG3 MET A 111 9.401 -3.324 -0.161 1.00 0.50 H new ATOM 0 HE1 MET A 111 9.871 0.479 2.412 1.00 0.67 H new ATOM 0 HE2 MET A 111 8.957 -0.916 3.035 1.00 0.67 H new ATOM 0 HE3 MET A 111 10.690 -1.081 2.663 1.00 0.67 H new ATOM 1873 N LEU A 112 11.782 -5.157 2.364 1.00 0.36 N ATOM 1874 CA LEU A 112 13.175 -5.429 2.022 1.00 0.34 C ATOM 1875 C LEU A 112 13.377 -6.924 1.799 1.00 0.37 C ATOM 1876 O LEU A 112 14.090 -7.338 0.884 1.00 0.42 O ATOM 1877 CB LEU A 112 14.107 -4.943 3.133 1.00 0.35 C ATOM 1878 CG LEU A 112 15.525 -4.591 2.677 1.00 0.38 C ATOM 1879 CD1 LEU A 112 15.493 -3.335 1.829 1.00 0.39 C ATOM 1880 CD2 LEU A 112 16.442 -4.400 3.870 1.00 0.46 C ATOM 0 H LEU A 112 11.647 -4.761 3.294 1.00 0.36 H new ATOM 0 HA LEU A 112 13.414 -4.892 1.104 1.00 0.34 H new ATOM 0 HB2 LEU A 112 13.663 -4.064 3.601 1.00 0.35 H new ATOM 0 HB3 LEU A 112 14.169 -5.716 3.899 1.00 0.35 H new ATOM 0 HG LEU A 112 15.915 -5.415 2.080 1.00 0.38 H new ATOM 0 HD11 LEU A 112 16.504 -3.088 1.506 1.00 0.39 H new ATOM 0 HD12 LEU A 112 14.864 -3.502 0.955 1.00 0.39 H new ATOM 0 HD13 LEU A 112 15.088 -2.510 2.415 1.00 0.39 H new ATOM 0 HD21 LEU A 112 17.444 -4.151 3.522 1.00 0.46 H new ATOM 0 HD22 LEU A 112 16.063 -3.591 4.495 1.00 0.46 H new ATOM 0 HD23 LEU A 112 16.479 -5.321 4.452 1.00 0.46 H new ATOM 1892 N MET A 113 12.729 -7.721 2.645 1.00 0.39 N ATOM 1893 CA MET A 113 12.738 -9.178 2.525 1.00 0.46 C ATOM 1894 C MET A 113 12.235 -9.599 1.149 1.00 0.49 C ATOM 1895 O MET A 113 12.752 -10.525 0.530 1.00 0.56 O ATOM 1896 CB MET A 113 11.831 -9.785 3.601 1.00 0.55 C ATOM 1897 CG MET A 113 11.770 -11.306 3.575 1.00 0.61 C ATOM 1898 SD MET A 113 10.456 -11.968 4.622 1.00 0.98 S ATOM 1899 CE MET A 113 10.949 -11.358 6.230 1.00 1.34 C ATOM 0 H MET A 113 12.182 -7.375 3.434 1.00 0.39 H new ATOM 0 HA MET A 113 13.760 -9.535 2.655 1.00 0.46 H new ATOM 0 HB2 MET A 113 12.182 -9.463 4.581 1.00 0.55 H new ATOM 0 HB3 MET A 113 10.823 -9.389 3.477 1.00 0.55 H new ATOM 0 HG2 MET A 113 11.616 -11.642 2.550 1.00 0.61 H new ATOM 0 HG3 MET A 113 12.728 -11.710 3.902 1.00 0.61 H new ATOM 0 HE1 MET A 113 10.351 -11.842 7.002 1.00 1.34 H new ATOM 0 HE2 MET A 113 12.003 -11.579 6.396 1.00 1.34 H new ATOM 0 HE3 MET A 113 10.793 -10.280 6.274 1.00 1.34 H new ATOM 1909 N THR A 114 11.234 -8.881 0.682 1.00 0.47 N ATOM 1910 CA THR A 114 10.573 -9.192 -0.567 1.00 0.50 C ATOM 1911 C THR A 114 11.400 -8.746 -1.779 1.00 0.46 C ATOM 1912 O THR A 114 11.460 -9.447 -2.791 1.00 0.49 O ATOM 1913 CB THR A 114 9.189 -8.521 -0.595 1.00 0.54 C ATOM 1914 OG1 THR A 114 8.393 -9.003 0.497 1.00 0.62 O ATOM 1915 CG2 THR A 114 8.472 -8.782 -1.910 1.00 0.60 C ATOM 0 H THR A 114 10.856 -8.063 1.160 1.00 0.47 H new ATOM 0 HA THR A 114 10.462 -10.275 -0.630 1.00 0.50 H new ATOM 0 HB THR A 114 9.333 -7.445 -0.497 1.00 0.54 H new ATOM 0 HG1 THR A 114 8.681 -8.570 1.328 1.00 0.62 H new ATOM 0 HG21 THR A 114 7.497 -8.294 -1.896 1.00 0.60 H new ATOM 0 HG22 THR A 114 9.065 -8.384 -2.733 1.00 0.60 H new ATOM 0 HG23 THR A 114 8.338 -9.855 -2.045 1.00 0.60 H new ATOM 1923 N ILE A 115 12.060 -7.598 -1.672 1.00 0.43 N ATOM 1924 CA ILE A 115 12.808 -7.042 -2.798 1.00 0.41 C ATOM 1925 C ILE A 115 14.045 -7.880 -3.103 1.00 0.42 C ATOM 1926 O ILE A 115 14.292 -8.249 -4.252 1.00 0.43 O ATOM 1927 CB ILE A 115 13.250 -5.590 -2.519 1.00 0.40 C ATOM 1928 CG1 ILE A 115 12.039 -4.712 -2.192 1.00 0.42 C ATOM 1929 CG2 ILE A 115 14.007 -5.028 -3.714 1.00 0.42 C ATOM 1930 CD1 ILE A 115 12.407 -3.322 -1.719 1.00 0.44 C ATOM 0 H ILE A 115 12.094 -7.035 -0.822 1.00 0.43 H new ATOM 0 HA ILE A 115 12.138 -7.055 -3.657 1.00 0.41 H new ATOM 0 HB ILE A 115 13.916 -5.592 -1.656 1.00 0.40 H new ATOM 0 HG12 ILE A 115 11.410 -4.630 -3.079 1.00 0.42 H new ATOM 0 HG13 ILE A 115 11.443 -5.202 -1.423 1.00 0.42 H new ATOM 0 HG21 ILE A 115 14.312 -4.003 -3.502 1.00 0.42 H new ATOM 0 HG22 ILE A 115 14.890 -5.638 -3.905 1.00 0.42 H new ATOM 0 HG23 ILE A 115 13.361 -5.040 -4.592 1.00 0.42 H new ATOM 0 HD11 ILE A 115 11.499 -2.758 -1.506 1.00 0.44 H new ATOM 0 HD12 ILE A 115 13.010 -3.393 -0.814 1.00 0.44 H new ATOM 0 HD13 ILE A 115 12.977 -2.812 -2.496 1.00 0.44 H new ATOM 1942 N CYS A 116 14.807 -8.185 -2.063 1.00 0.43 N ATOM 1943 CA CYS A 116 16.052 -8.926 -2.214 1.00 0.47 C ATOM 1944 C CYS A 116 15.785 -10.344 -2.720 1.00 0.50 C ATOM 1945 O CYS A 116 16.625 -10.945 -3.399 1.00 0.53 O ATOM 1946 CB CYS A 116 16.799 -8.961 -0.880 1.00 0.51 C ATOM 1947 SG CYS A 116 15.847 -9.677 0.476 1.00 1.56 S ATOM 0 H CYS A 116 14.584 -7.930 -1.101 1.00 0.43 H new ATOM 0 HA CYS A 116 16.672 -8.420 -2.954 1.00 0.47 H new ATOM 0 HB2 CYS A 116 17.719 -9.532 -1.005 1.00 0.51 H new ATOM 0 HB3 CYS A 116 17.088 -7.945 -0.611 1.00 0.51 H new ATOM 0 HG CYS A 116 14.848 -8.896 0.765 1.00 1.56 H new ATOM 1953 N ALA A 117 14.599 -10.859 -2.404 1.00 0.50 N ATOM 1954 CA ALA A 117 14.197 -12.193 -2.826 1.00 0.54 C ATOM 1955 C ALA A 117 14.019 -12.257 -4.339 1.00 0.54 C ATOM 1956 O ALA A 117 14.197 -13.310 -4.949 1.00 0.58 O ATOM 1957 CB ALA A 117 12.910 -12.602 -2.126 1.00 0.57 C ATOM 0 H ALA A 117 13.897 -10.366 -1.853 1.00 0.50 H new ATOM 0 HA ALA A 117 14.987 -12.890 -2.547 1.00 0.54 H new ATOM 0 HB1 ALA A 117 12.621 -13.602 -2.451 1.00 0.57 H new ATOM 0 HB2 ALA A 117 13.067 -12.602 -1.047 1.00 0.57 H new ATOM 0 HB3 ALA A 117 12.119 -11.896 -2.378 1.00 0.57 H new ATOM 1963 N ARG A 118 13.671 -11.124 -4.943 1.00 0.50 N ATOM 1964 CA ARG A 118 13.489 -11.063 -6.388 1.00 0.51 C ATOM 1965 C ARG A 118 14.811 -11.331 -7.089 1.00 0.52 C ATOM 1966 O ARG A 118 14.870 -12.076 -8.066 1.00 0.55 O ATOM 1967 CB ARG A 118 12.959 -9.696 -6.830 1.00 0.49 C ATOM 1968 CG ARG A 118 11.726 -9.225 -6.080 1.00 0.49 C ATOM 1969 CD ARG A 118 10.598 -10.243 -6.126 1.00 0.58 C ATOM 1970 NE ARG A 118 10.032 -10.396 -7.465 1.00 0.84 N ATOM 1971 CZ ARG A 118 8.890 -11.038 -7.719 1.00 1.16 C ATOM 1972 NH1 ARG A 118 8.237 -11.655 -6.739 1.00 1.23 N ATOM 1973 NH2 ARG A 118 8.412 -11.085 -8.958 1.00 1.75 N ATOM 0 H ARG A 118 13.511 -10.242 -4.457 1.00 0.50 H new ATOM 0 HA ARG A 118 12.758 -11.824 -6.660 1.00 0.51 H new ATOM 0 HB2 ARG A 118 13.750 -8.956 -6.704 1.00 0.49 H new ATOM 0 HB3 ARG A 118 12.727 -9.737 -7.894 1.00 0.49 H new ATOM 0 HG2 ARG A 118 11.990 -9.025 -5.041 1.00 0.49 H new ATOM 0 HG3 ARG A 118 11.381 -8.284 -6.508 1.00 0.49 H new ATOM 0 HD2 ARG A 118 10.970 -11.208 -5.781 1.00 0.58 H new ATOM 0 HD3 ARG A 118 9.811 -9.939 -5.436 1.00 0.58 H new ATOM 0 HE ARG A 118 10.539 -9.989 -8.251 1.00 0.84 H new ATOM 0 HH11 ARG A 118 8.609 -11.639 -5.789 1.00 1.23 H new ATOM 0 HH12 ARG A 118 7.364 -12.145 -6.937 1.00 1.23 H new ATOM 0 HH21 ARG A 118 8.918 -10.630 -9.718 1.00 1.75 H new ATOM 0 HH22 ARG A 118 7.539 -11.576 -9.150 1.00 1.75 H new ATOM 1987 N ILE A 119 15.872 -10.725 -6.572 1.00 0.52 N ATOM 1988 CA ILE A 119 17.194 -10.846 -7.168 1.00 0.54 C ATOM 1989 C ILE A 119 17.764 -12.228 -6.904 1.00 0.58 C ATOM 1990 O ILE A 119 18.282 -12.890 -7.805 1.00 0.66 O ATOM 1991 CB ILE A 119 18.173 -9.805 -6.583 1.00 0.51 C ATOM 1992 CG1 ILE A 119 17.459 -8.480 -6.311 1.00 0.49 C ATOM 1993 CG2 ILE A 119 19.345 -9.593 -7.529 1.00 0.56 C ATOM 1994 CD1 ILE A 119 16.934 -7.793 -7.555 1.00 0.69 C ATOM 0 H ILE A 119 15.841 -10.141 -5.736 1.00 0.52 H new ATOM 0 HA ILE A 119 17.082 -10.676 -8.239 1.00 0.54 H new ATOM 0 HB ILE A 119 18.553 -10.187 -5.635 1.00 0.51 H new ATOM 0 HG12 ILE A 119 16.627 -8.661 -5.631 1.00 0.49 H new ATOM 0 HG13 ILE A 119 18.148 -7.807 -5.800 1.00 0.49 H new ATOM 0 HG21 ILE A 119 20.027 -8.857 -7.104 1.00 0.56 H new ATOM 0 HG22 ILE A 119 19.872 -10.536 -7.672 1.00 0.56 H new ATOM 0 HG23 ILE A 119 18.977 -9.234 -8.490 1.00 0.56 H new ATOM 0 HD11 ILE A 119 16.442 -6.861 -7.276 1.00 0.69 H new ATOM 0 HD12 ILE A 119 17.763 -7.578 -8.229 1.00 0.69 H new ATOM 0 HD13 ILE A 119 16.219 -8.445 -8.056 1.00 0.69 H new ATOM 2006 N GLY A 120 17.650 -12.660 -5.658 1.00 0.57 N ATOM 2007 CA GLY A 120 18.230 -13.921 -5.257 1.00 0.62 C ATOM 2008 C GLY A 120 19.178 -13.760 -4.089 1.00 0.64 C ATOM 2009 O GLY A 120 20.031 -14.611 -3.843 1.00 0.70 O ATOM 0 H GLY A 120 17.164 -12.157 -4.916 1.00 0.57 H new ATOM 0 HA2 GLY A 120 17.435 -14.616 -4.986 1.00 0.62 H new ATOM 0 HA3 GLY A 120 18.764 -14.359 -6.100 1.00 0.62 H new ATOM 2013 N ILE A 121 19.036 -12.652 -3.374 1.00 0.66 N ATOM 2014 CA ILE A 121 19.837 -12.397 -2.188 1.00 0.71 C ATOM 2015 C ILE A 121 19.219 -13.131 -1.002 1.00 0.82 C ATOM 2016 O ILE A 121 18.010 -13.034 -0.777 1.00 1.54 O ATOM 2017 CB ILE A 121 19.907 -10.886 -1.879 1.00 0.63 C ATOM 2018 CG1 ILE A 121 20.337 -10.094 -3.121 1.00 0.59 C ATOM 2019 CG2 ILE A 121 20.866 -10.622 -0.729 1.00 0.67 C ATOM 2020 CD1 ILE A 121 20.291 -8.589 -2.933 1.00 0.56 C ATOM 0 H ILE A 121 18.370 -11.913 -3.598 1.00 0.66 H new ATOM 0 HA ILE A 121 20.851 -12.755 -2.368 1.00 0.71 H new ATOM 0 HB ILE A 121 18.911 -10.553 -1.588 1.00 0.63 H new ATOM 0 HG12 ILE A 121 21.351 -10.386 -3.394 1.00 0.59 H new ATOM 0 HG13 ILE A 121 19.691 -10.367 -3.956 1.00 0.59 H new ATOM 0 HG21 ILE A 121 20.903 -9.552 -0.525 1.00 0.67 H new ATOM 0 HG22 ILE A 121 20.522 -11.150 0.160 1.00 0.67 H new ATOM 0 HG23 ILE A 121 21.862 -10.975 -0.997 1.00 0.67 H new ATOM 0 HD11 ILE A 121 20.608 -8.098 -3.853 1.00 0.56 H new ATOM 0 HD12 ILE A 121 19.273 -8.284 -2.691 1.00 0.56 H new ATOM 0 HD13 ILE A 121 20.959 -8.303 -2.120 1.00 0.56 H new ATOM 2032 N THR A 122 20.027 -13.873 -0.257 1.00 0.96 N ATOM 2033 CA THR A 122 19.502 -14.682 0.835 1.00 1.00 C ATOM 2034 C THR A 122 19.375 -13.854 2.116 1.00 0.90 C ATOM 2035 O THR A 122 18.523 -14.131 2.963 1.00 1.04 O ATOM 2036 CB THR A 122 20.369 -15.946 1.082 1.00 1.18 C ATOM 2037 OG1 THR A 122 19.691 -16.853 1.960 1.00 1.55 O ATOM 2038 CG2 THR A 122 21.724 -15.595 1.680 1.00 1.65 C ATOM 0 H THR A 122 21.037 -13.932 -0.386 1.00 0.96 H new ATOM 0 HA THR A 122 18.507 -15.018 0.542 1.00 1.00 H new ATOM 0 HB THR A 122 20.531 -16.417 0.113 1.00 1.18 H new ATOM 0 HG1 THR A 122 20.249 -17.646 2.105 1.00 1.55 H new ATOM 0 HG21 THR A 122 22.300 -16.507 1.837 1.00 1.65 H new ATOM 0 HG22 THR A 122 22.264 -14.938 0.998 1.00 1.65 H new ATOM 0 HG23 THR A 122 21.580 -15.088 2.634 1.00 1.65 H new ATOM 2046 N ASN A 123 20.205 -12.823 2.245 1.00 0.91 N ATOM 2047 CA ASN A 123 20.140 -11.941 3.403 1.00 0.87 C ATOM 2048 C ASN A 123 19.293 -10.719 3.103 1.00 0.77 C ATOM 2049 O ASN A 123 19.228 -10.258 1.965 1.00 1.05 O ATOM 2050 CB ASN A 123 21.529 -11.476 3.846 1.00 1.10 C ATOM 2051 CG ASN A 123 22.398 -12.587 4.396 1.00 1.31 C ATOM 2052 OD1 ASN A 123 21.912 -13.650 4.787 1.00 2.13 O ATOM 2053 ND2 ASN A 123 23.688 -12.318 4.493 1.00 1.50 N ATOM 0 H ASN A 123 20.926 -12.580 1.566 1.00 0.91 H new ATOM 0 HA ASN A 123 19.688 -12.519 4.209 1.00 0.87 H new ATOM 0 HB2 ASN A 123 22.036 -11.017 2.997 1.00 1.10 H new ATOM 0 HB3 ASN A 123 21.418 -10.704 4.607 1.00 1.10 H new ATOM 0 HD21 ASN A 123 24.322 -13.003 4.904 1.00 1.50 H new ATOM 0 HD22 ASN A 123 24.050 -11.425 4.157 1.00 1.50 H new ATOM 2060 N HIS A 124 18.640 -10.202 4.127 1.00 0.61 N ATOM 2061 CA HIS A 124 17.891 -8.964 4.000 1.00 0.59 C ATOM 2062 C HIS A 124 18.031 -8.131 5.268 1.00 0.57 C ATOM 2063 O HIS A 124 17.553 -6.999 5.334 1.00 0.66 O ATOM 2064 CB HIS A 124 16.410 -9.243 3.712 1.00 0.63 C ATOM 2065 CG HIS A 124 15.620 -9.711 4.897 1.00 0.58 C ATOM 2066 ND1 HIS A 124 14.677 -8.923 5.516 1.00 0.55 N ATOM 2067 CD2 HIS A 124 15.617 -10.889 5.565 1.00 0.66 C ATOM 2068 CE1 HIS A 124 14.126 -9.593 6.505 1.00 0.57 C ATOM 2069 NE2 HIS A 124 14.677 -10.787 6.559 1.00 0.66 N ATOM 0 H HIS A 124 18.613 -10.620 5.057 1.00 0.61 H new ATOM 0 HA HIS A 124 18.302 -8.404 3.160 1.00 0.59 H new ATOM 0 HB2 HIS A 124 15.952 -8.334 3.323 1.00 0.63 H new ATOM 0 HB3 HIS A 124 16.342 -9.996 2.927 1.00 0.63 H new ATOM 0 HD2 HIS A 124 16.238 -11.747 5.355 1.00 0.66 H new ATOM 0 HE1 HIS A 124 13.352 -9.225 7.162 1.00 0.57 H new ATOM 0 HE2 HIS A 124 14.443 -11.518 7.231 1.00 0.66 H new ATOM 2078 N ASP A 125 18.679 -8.698 6.274 1.00 0.62 N ATOM 2079 CA ASP A 125 18.829 -8.041 7.549 1.00 0.72 C ATOM 2080 C ASP A 125 20.092 -7.193 7.570 1.00 0.64 C ATOM 2081 O ASP A 125 20.174 -6.203 8.297 1.00 0.66 O ATOM 2082 CB ASP A 125 18.870 -9.080 8.664 1.00 0.97 C ATOM 2083 CG ASP A 125 17.499 -9.627 9.000 1.00 1.54 C ATOM 2084 OD1 ASP A 125 16.734 -8.938 9.707 1.00 2.11 O ATOM 2085 OD2 ASP A 125 17.182 -10.754 8.558 1.00 2.14 O ATOM 0 H ASP A 125 19.111 -9.621 6.224 1.00 0.62 H new ATOM 0 HA ASP A 125 17.974 -7.383 7.707 1.00 0.72 H new ATOM 0 HB2 ASP A 125 19.522 -9.901 8.367 1.00 0.97 H new ATOM 0 HB3 ASP A 125 19.308 -8.633 9.557 1.00 0.97 H new ATOM 2090 N GLU A 126 21.070 -7.567 6.747 1.00 0.62 N ATOM 2091 CA GLU A 126 22.320 -6.821 6.664 1.00 0.62 C ATOM 2092 C GLU A 126 22.138 -5.542 5.848 1.00 0.52 C ATOM 2093 O GLU A 126 23.093 -4.806 5.598 1.00 0.61 O ATOM 2094 CB GLU A 126 23.449 -7.680 6.070 1.00 0.76 C ATOM 2095 CG GLU A 126 23.197 -8.152 4.648 1.00 1.19 C ATOM 2096 CD GLU A 126 24.449 -8.691 3.984 1.00 1.84 C ATOM 2097 OE1 GLU A 126 25.410 -7.920 3.780 1.00 2.27 O ATOM 2098 OE2 GLU A 126 24.484 -9.894 3.662 1.00 2.30 O ATOM 0 H GLU A 126 21.020 -8.379 6.131 1.00 0.62 H new ATOM 0 HA GLU A 126 22.605 -6.547 7.680 1.00 0.62 H new ATOM 0 HB2 GLU A 126 24.375 -7.106 6.090 1.00 0.76 H new ATOM 0 HB3 GLU A 126 23.600 -8.551 6.708 1.00 0.76 H new ATOM 0 HG2 GLU A 126 22.432 -8.928 4.657 1.00 1.19 H new ATOM 0 HG3 GLU A 126 22.805 -7.324 4.058 1.00 1.19 H new ATOM 2105 N TYR A 127 20.899 -5.269 5.460 1.00 0.43 N ATOM 2106 CA TYR A 127 20.589 -4.116 4.630 1.00 0.38 C ATOM 2107 C TYR A 127 19.621 -3.172 5.325 1.00 0.39 C ATOM 2108 O TYR A 127 18.819 -3.584 6.169 1.00 0.42 O ATOM 2109 CB TYR A 127 19.959 -4.561 3.313 1.00 0.36 C ATOM 2110 CG TYR A 127 20.810 -5.508 2.512 1.00 0.36 C ATOM 2111 CD1 TYR A 127 21.948 -5.061 1.863 1.00 0.38 C ATOM 2112 CD2 TYR A 127 20.480 -6.849 2.414 1.00 0.40 C ATOM 2113 CE1 TYR A 127 22.735 -5.925 1.135 1.00 0.41 C ATOM 2114 CE2 TYR A 127 21.259 -7.722 1.690 1.00 0.43 C ATOM 2115 CZ TYR A 127 22.368 -7.251 1.021 1.00 0.43 C ATOM 2116 OH TYR A 127 23.169 -8.126 0.325 1.00 0.49 O ATOM 0 H TYR A 127 20.089 -5.836 5.710 1.00 0.43 H new ATOM 0 HA TYR A 127 21.528 -3.595 4.445 1.00 0.38 H new ATOM 0 HB2 TYR A 127 19.003 -5.039 3.524 1.00 0.36 H new ATOM 0 HB3 TYR A 127 19.748 -3.679 2.708 1.00 0.36 H new ATOM 0 HD1 TYR A 127 22.223 -4.019 1.929 1.00 0.38 H new ATOM 0 HD2 TYR A 127 19.596 -7.216 2.914 1.00 0.40 H new ATOM 0 HE1 TYR A 127 23.634 -5.567 0.656 1.00 0.41 H new ATOM 0 HE2 TYR A 127 21.003 -8.770 1.646 1.00 0.43 H new ATOM 0 HH TYR A 127 22.812 -9.035 0.409 1.00 0.49 H new ATOM 2126 N SER A 128 19.701 -1.907 4.963 1.00 0.40 N ATOM 2127 CA SER A 128 18.698 -0.930 5.341 1.00 0.42 C ATOM 2128 C SER A 128 18.009 -0.447 4.078 1.00 0.41 C ATOM 2129 O SER A 128 18.238 -1.002 3.001 1.00 0.54 O ATOM 2130 CB SER A 128 19.336 0.246 6.079 1.00 0.47 C ATOM 2131 OG SER A 128 20.016 -0.190 7.240 1.00 1.13 O ATOM 0 H SER A 128 20.462 -1.527 4.399 1.00 0.40 H new ATOM 0 HA SER A 128 17.974 -1.388 6.015 1.00 0.42 H new ATOM 0 HB2 SER A 128 20.033 0.760 5.417 1.00 0.47 H new ATOM 0 HB3 SER A 128 18.567 0.968 6.354 1.00 0.47 H new ATOM 0 HG SER A 128 19.531 0.112 8.036 1.00 1.13 H new ATOM 2137 N LEU A 129 17.173 0.570 4.178 1.00 0.42 N ATOM 2138 CA LEU A 129 16.545 1.095 2.981 1.00 0.42 C ATOM 2139 C LEU A 129 16.708 2.601 2.948 1.00 0.43 C ATOM 2140 O LEU A 129 16.771 3.236 3.988 1.00 0.48 O ATOM 2141 CB LEU A 129 15.066 0.686 2.930 1.00 0.43 C ATOM 2142 CG LEU A 129 14.476 0.490 1.524 1.00 0.45 C ATOM 2143 CD1 LEU A 129 13.228 -0.374 1.589 1.00 1.33 C ATOM 2144 CD2 LEU A 129 14.139 1.823 0.877 1.00 1.13 C ATOM 0 H LEU A 129 16.919 1.037 5.048 1.00 0.42 H new ATOM 0 HA LEU A 129 17.029 0.676 2.099 1.00 0.42 H new ATOM 0 HB2 LEU A 129 14.946 -0.243 3.487 1.00 0.43 H new ATOM 0 HB3 LEU A 129 14.480 1.446 3.447 1.00 0.43 H new ATOM 0 HG LEU A 129 15.231 -0.009 0.916 1.00 0.45 H new ATOM 0 HD11 LEU A 129 12.822 -0.503 0.586 1.00 1.33 H new ATOM 0 HD12 LEU A 129 13.481 -1.349 2.006 1.00 1.33 H new ATOM 0 HD13 LEU A 129 12.484 0.109 2.222 1.00 1.33 H new ATOM 0 HD21 LEU A 129 13.724 1.651 -0.116 1.00 1.13 H new ATOM 0 HD22 LEU A 129 13.408 2.350 1.490 1.00 1.13 H new ATOM 0 HD23 LEU A 129 15.043 2.425 0.793 1.00 1.13 H new ATOM 2156 N VAL A 130 16.822 3.162 1.763 1.00 0.42 N ATOM 2157 CA VAL A 130 16.930 4.602 1.608 1.00 0.46 C ATOM 2158 C VAL A 130 16.102 5.049 0.407 1.00 0.46 C ATOM 2159 O VAL A 130 16.375 4.671 -0.731 1.00 0.45 O ATOM 2160 CB VAL A 130 18.414 5.040 1.480 1.00 0.48 C ATOM 2161 CG1 VAL A 130 19.176 4.100 0.580 1.00 0.49 C ATOM 2162 CG2 VAL A 130 18.548 6.462 0.966 1.00 0.60 C ATOM 0 H VAL A 130 16.843 2.641 0.886 1.00 0.42 H new ATOM 0 HA VAL A 130 16.534 5.089 2.499 1.00 0.46 H new ATOM 0 HB VAL A 130 18.840 5.003 2.483 1.00 0.48 H new ATOM 0 HG11 VAL A 130 20.213 4.428 0.506 1.00 0.49 H new ATOM 0 HG12 VAL A 130 19.143 3.092 0.994 1.00 0.49 H new ATOM 0 HG13 VAL A 130 18.724 4.100 -0.412 1.00 0.49 H new ATOM 0 HG21 VAL A 130 19.603 6.724 0.893 1.00 0.60 H new ATOM 0 HG22 VAL A 130 18.086 6.538 -0.018 1.00 0.60 H new ATOM 0 HG23 VAL A 130 18.051 7.146 1.654 1.00 0.60 H new ATOM 2172 N ARG A 131 15.066 5.828 0.672 1.00 0.48 N ATOM 2173 CA ARG A 131 14.144 6.237 -0.370 1.00 0.50 C ATOM 2174 C ARG A 131 14.399 7.673 -0.783 1.00 0.57 C ATOM 2175 O ARG A 131 14.024 8.610 -0.072 1.00 0.64 O ATOM 2176 CB ARG A 131 12.700 6.145 0.117 1.00 0.54 C ATOM 2177 CG ARG A 131 12.417 4.985 1.046 1.00 0.51 C ATOM 2178 CD ARG A 131 10.931 4.878 1.326 1.00 0.62 C ATOM 2179 NE ARG A 131 10.218 4.236 0.220 1.00 0.96 N ATOM 2180 CZ ARG A 131 9.273 3.308 0.377 1.00 1.65 C ATOM 2181 NH1 ARG A 131 8.791 3.048 1.583 1.00 2.18 N ATOM 2182 NH2 ARG A 131 8.774 2.678 -0.682 1.00 2.01 N ATOM 0 H ARG A 131 14.844 6.189 1.600 1.00 0.48 H new ATOM 0 HA ARG A 131 14.301 5.568 -1.216 1.00 0.50 H new ATOM 0 HB2 ARG A 131 12.444 7.073 0.629 1.00 0.54 H new ATOM 0 HB3 ARG A 131 12.043 6.067 -0.749 1.00 0.54 H new ATOM 0 HG2 ARG A 131 12.776 4.058 0.599 1.00 0.51 H new ATOM 0 HG3 ARG A 131 12.960 5.120 1.981 1.00 0.51 H new ATOM 0 HD2 ARG A 131 10.773 4.307 2.241 1.00 0.62 H new ATOM 0 HD3 ARG A 131 10.520 5.873 1.496 1.00 0.62 H new ATOM 0 HE ARG A 131 10.459 4.516 -0.731 1.00 0.96 H new ATOM 0 HH11 ARG A 131 9.142 3.558 2.394 1.00 2.18 H new ATOM 0 HH12 ARG A 131 8.068 2.338 1.701 1.00 2.18 H new ATOM 0 HH21 ARG A 131 9.114 2.904 -1.617 1.00 2.01 H new ATOM 0 HH22 ARG A 131 8.051 1.969 -0.560 1.00 2.01 H new ATOM 2196 N GLU A 132 15.021 7.852 -1.928 1.00 0.58 N ATOM 2197 CA GLU A 132 15.155 9.177 -2.489 1.00 0.66 C ATOM 2198 C GLU A 132 13.827 9.617 -3.085 1.00 0.73 C ATOM 2199 O GLU A 132 13.414 9.137 -4.152 1.00 0.74 O ATOM 2200 CB GLU A 132 16.256 9.215 -3.550 1.00 0.68 C ATOM 2201 CG GLU A 132 17.643 8.930 -3.001 1.00 0.64 C ATOM 2202 CD GLU A 132 18.722 9.137 -4.039 1.00 0.72 C ATOM 2203 OE1 GLU A 132 18.879 8.269 -4.922 1.00 0.90 O ATOM 2204 OE2 GLU A 132 19.424 10.163 -3.981 1.00 1.05 O ATOM 0 H GLU A 132 15.438 7.105 -2.483 1.00 0.58 H new ATOM 0 HA GLU A 132 15.436 9.866 -1.692 1.00 0.66 H new ATOM 0 HB2 GLU A 132 16.025 8.486 -4.327 1.00 0.68 H new ATOM 0 HB3 GLU A 132 16.257 10.196 -4.025 1.00 0.68 H new ATOM 0 HG2 GLU A 132 17.834 9.579 -2.147 1.00 0.64 H new ATOM 0 HG3 GLU A 132 17.684 7.903 -2.637 1.00 0.64 H new ATOM 2211 N LEU A 133 13.140 10.507 -2.380 1.00 0.80 N ATOM 2212 CA LEU A 133 11.831 10.944 -2.824 1.00 0.87 C ATOM 2213 C LEU A 133 11.921 12.272 -3.555 1.00 0.97 C ATOM 2214 O LEU A 133 13.000 12.843 -3.734 1.00 1.02 O ATOM 2215 CB LEU A 133 10.853 11.088 -1.653 1.00 0.92 C ATOM 2216 CG LEU A 133 10.769 9.901 -0.691 1.00 0.87 C ATOM 2217 CD1 LEU A 133 9.646 10.115 0.315 1.00 0.97 C ATOM 2218 CD2 LEU A 133 10.558 8.600 -1.447 1.00 0.80 C ATOM 0 H LEU A 133 13.465 10.933 -1.512 1.00 0.80 H new ATOM 0 HA LEU A 133 11.458 10.176 -3.502 1.00 0.87 H new ATOM 0 HB2 LEU A 133 11.132 11.973 -1.081 1.00 0.92 H new ATOM 0 HB3 LEU A 133 9.858 11.271 -2.059 1.00 0.92 H new ATOM 0 HG LEU A 133 11.715 9.832 -0.155 1.00 0.87 H new ATOM 0 HD11 LEU A 133 9.598 9.263 0.993 1.00 0.97 H new ATOM 0 HD12 LEU A 133 9.838 11.023 0.886 1.00 0.97 H new ATOM 0 HD13 LEU A 133 8.698 10.212 -0.214 1.00 0.97 H new ATOM 0 HD21 LEU A 133 10.502 7.773 -0.739 1.00 0.80 H new ATOM 0 HD22 LEU A 133 9.629 8.656 -2.015 1.00 0.80 H new ATOM 0 HD23 LEU A 133 11.391 8.437 -2.130 1.00 0.80 H new ATOM 2230 N MET A 134 10.765 12.752 -3.955 1.00 1.04 N ATOM 2231 CA MET A 134 10.631 14.027 -4.643 1.00 1.15 C ATOM 2232 C MET A 134 10.131 15.077 -3.669 1.00 1.22 C ATOM 2233 O MET A 134 9.927 16.233 -4.034 1.00 1.29 O ATOM 2234 CB MET A 134 9.650 13.883 -5.807 1.00 1.27 C ATOM 2235 CG MET A 134 8.311 13.294 -5.389 1.00 1.36 C ATOM 2236 SD MET A 134 7.196 14.494 -4.628 1.00 1.80 S ATOM 2237 CE MET A 134 5.858 13.420 -4.108 1.00 2.03 C ATOM 0 H MET A 134 9.879 12.267 -3.813 1.00 1.04 H new ATOM 0 HA MET A 134 11.601 14.334 -5.033 1.00 1.15 H new ATOM 0 HB2 MET A 134 9.485 14.861 -6.258 1.00 1.27 H new ATOM 0 HB3 MET A 134 10.096 13.249 -6.574 1.00 1.27 H new ATOM 0 HG2 MET A 134 7.824 12.863 -6.264 1.00 1.36 H new ATOM 0 HG3 MET A 134 8.486 12.478 -4.688 1.00 1.36 H new ATOM 0 HE1 MET A 134 5.085 14.012 -3.618 1.00 2.03 H new ATOM 0 HE2 MET A 134 5.434 12.919 -4.978 1.00 2.03 H new ATOM 0 HE3 MET A 134 6.240 12.674 -3.411 1.00 2.03 H new ATOM 2247 N GLU A 135 9.935 14.635 -2.430 1.00 1.27 N ATOM 2248 CA GLU A 135 9.381 15.455 -1.363 1.00 1.39 C ATOM 2249 C GLU A 135 9.966 16.857 -1.329 1.00 1.41 C ATOM 2250 O GLU A 135 11.164 17.040 -1.129 1.00 1.45 O ATOM 2251 CB GLU A 135 9.619 14.769 -0.021 1.00 1.48 C ATOM 2252 CG GLU A 135 8.474 13.880 0.419 1.00 1.58 C ATOM 2253 CD GLU A 135 7.256 14.687 0.815 1.00 1.83 C ATOM 2254 OE1 GLU A 135 7.141 15.067 1.994 1.00 2.04 O ATOM 2255 OE2 GLU A 135 6.402 14.927 -0.062 1.00 2.29 O ATOM 0 H GLU A 135 10.160 13.684 -2.137 1.00 1.27 H new ATOM 0 HA GLU A 135 8.314 15.560 -1.558 1.00 1.39 H new ATOM 0 HB2 GLU A 135 10.528 14.171 -0.085 1.00 1.48 H new ATOM 0 HB3 GLU A 135 9.790 15.530 0.741 1.00 1.48 H new ATOM 0 HG2 GLU A 135 8.211 13.199 -0.390 1.00 1.58 H new ATOM 0 HG3 GLU A 135 8.793 13.266 1.261 1.00 1.58 H new ATOM 2262 N GLU A 136 9.110 17.840 -1.543 1.00 1.46 N ATOM 2263 CA GLU A 136 9.486 19.233 -1.387 1.00 1.52 C ATOM 2264 C GLU A 136 9.552 19.584 0.094 1.00 1.52 C ATOM 2265 O GLU A 136 10.229 20.527 0.499 1.00 1.59 O ATOM 2266 CB GLU A 136 8.466 20.115 -2.101 1.00 1.67 C ATOM 2267 CG GLU A 136 7.052 19.965 -1.564 1.00 1.73 C ATOM 2268 CD GLU A 136 6.055 20.815 -2.315 1.00 1.93 C ATOM 2269 OE1 GLU A 136 5.910 22.009 -1.980 1.00 2.12 O ATOM 2270 OE2 GLU A 136 5.408 20.298 -3.247 1.00 1.99 O ATOM 0 H GLU A 136 8.141 17.697 -1.828 1.00 1.46 H new ATOM 0 HA GLU A 136 10.469 19.401 -1.828 1.00 1.52 H new ATOM 0 HB2 GLU A 136 8.772 21.157 -2.010 1.00 1.67 H new ATOM 0 HB3 GLU A 136 8.470 19.874 -3.164 1.00 1.67 H new ATOM 0 HG2 GLU A 136 6.752 18.919 -1.626 1.00 1.73 H new ATOM 0 HG3 GLU A 136 7.036 20.239 -0.509 1.00 1.73 H new ATOM 2277 N LYS A 137 8.843 18.797 0.891 1.00 1.53 N ATOM 2278 CA LYS A 137 8.780 18.998 2.327 1.00 1.61 C ATOM 2279 C LYS A 137 9.973 18.336 3.004 1.00 1.55 C ATOM 2280 O LYS A 137 10.850 19.011 3.543 1.00 1.63 O ATOM 2281 CB LYS A 137 7.474 18.416 2.861 1.00 1.72 C ATOM 2282 CG LYS A 137 6.248 18.930 2.128 1.00 1.83 C ATOM 2283 CD LYS A 137 5.028 18.087 2.426 1.00 2.14 C ATOM 2284 CE LYS A 137 3.813 18.621 1.697 1.00 2.31 C ATOM 2285 NZ LYS A 137 2.611 17.777 1.925 1.00 2.98 N ATOM 0 H LYS A 137 8.297 18.003 0.558 1.00 1.53 H new ATOM 0 HA LYS A 137 8.812 20.065 2.545 1.00 1.61 H new ATOM 0 HB2 LYS A 137 7.508 17.329 2.781 1.00 1.72 H new ATOM 0 HB3 LYS A 137 7.383 18.655 3.921 1.00 1.72 H new ATOM 0 HG2 LYS A 137 6.057 19.963 2.417 1.00 1.83 H new ATOM 0 HG3 LYS A 137 6.438 18.930 1.055 1.00 1.83 H new ATOM 0 HD2 LYS A 137 5.212 17.055 2.128 1.00 2.14 H new ATOM 0 HD3 LYS A 137 4.839 18.080 3.499 1.00 2.14 H new ATOM 0 HE2 LYS A 137 3.609 19.639 2.029 1.00 2.31 H new ATOM 0 HE3 LYS A 137 4.024 18.670 0.629 1.00 2.31 H new ATOM 0 HZ1 LYS A 137 1.802 18.178 1.408 1.00 2.98 H new ATOM 0 HZ2 LYS A 137 2.795 16.812 1.585 1.00 2.98 H new ATOM 0 HZ3 LYS A 137 2.393 17.750 2.942 1.00 2.98 H new ATOM 2299 N LYS A 138 9.995 17.007 2.976 1.00 1.47 N ATOM 2300 CA LYS A 138 11.116 16.248 3.516 1.00 1.45 C ATOM 2301 C LYS A 138 12.389 16.509 2.724 1.00 1.34 C ATOM 2302 O LYS A 138 13.354 17.064 3.252 1.00 1.43 O ATOM 2303 CB LYS A 138 10.809 14.754 3.486 1.00 1.48 C ATOM 2304 CG LYS A 138 9.461 14.411 4.071 1.00 1.52 C ATOM 2305 CD LYS A 138 9.219 12.920 4.088 1.00 1.58 C ATOM 2306 CE LYS A 138 7.812 12.631 4.555 1.00 1.42 C ATOM 2307 NZ LYS A 138 6.801 12.908 3.499 1.00 1.76 N ATOM 0 H LYS A 138 9.248 16.434 2.584 1.00 1.47 H new ATOM 0 HA LYS A 138 11.267 16.573 4.545 1.00 1.45 H new ATOM 0 HB2 LYS A 138 10.850 14.402 2.455 1.00 1.48 H new ATOM 0 HB3 LYS A 138 11.583 14.220 4.037 1.00 1.48 H new ATOM 0 HG2 LYS A 138 9.396 14.801 5.087 1.00 1.52 H new ATOM 0 HG3 LYS A 138 8.678 14.900 3.491 1.00 1.52 H new ATOM 0 HD2 LYS A 138 9.372 12.507 3.091 1.00 1.58 H new ATOM 0 HD3 LYS A 138 9.937 12.434 4.748 1.00 1.58 H new ATOM 0 HE2 LYS A 138 7.740 11.587 4.860 1.00 1.42 H new ATOM 0 HE3 LYS A 138 7.591 13.236 5.434 1.00 1.42 H new ATOM 0 HZ1 LYS A 138 5.951 13.322 3.932 1.00 1.76 H new ATOM 0 HZ2 LYS A 138 7.197 13.575 2.806 1.00 1.76 H new ATOM 0 HZ3 LYS A 138 6.548 12.021 3.020 1.00 1.76 H new ATOM 2321 N ASP A 169 12.371 16.107 1.450 1.00 1.23 N ATOM 2322 CA ASP A 169 13.561 16.148 0.598 1.00 1.18 C ATOM 2323 C ASP A 169 14.661 15.319 1.246 1.00 1.11 C ATOM 2324 O ASP A 169 15.844 15.659 1.218 1.00 1.30 O ATOM 2325 CB ASP A 169 14.008 17.597 0.361 1.00 1.35 C ATOM 2326 CG ASP A 169 15.137 17.719 -0.645 1.00 1.44 C ATOM 2327 OD1 ASP A 169 15.130 16.963 -1.640 1.00 1.48 O ATOM 2328 OD2 ASP A 169 16.035 18.566 -0.447 1.00 1.59 O ATOM 0 H ASP A 169 11.538 15.747 0.984 1.00 1.23 H new ATOM 0 HA ASP A 169 13.331 15.723 -0.379 1.00 1.18 H new ATOM 0 HB2 ASP A 169 13.156 18.181 0.013 1.00 1.35 H new ATOM 0 HB3 ASP A 169 14.326 18.031 1.309 1.00 1.35 H new ATOM 2333 N GLU A 170 14.240 14.211 1.831 1.00 0.96 N ATOM 2334 CA GLU A 170 15.144 13.331 2.536 1.00 0.90 C ATOM 2335 C GLU A 170 15.541 12.148 1.668 1.00 0.78 C ATOM 2336 O GLU A 170 14.840 11.785 0.705 1.00 0.77 O ATOM 2337 CB GLU A 170 14.494 12.815 3.822 1.00 0.98 C ATOM 2338 CG GLU A 170 14.107 13.901 4.810 1.00 1.24 C ATOM 2339 CD GLU A 170 13.469 13.336 6.064 1.00 1.90 C ATOM 2340 OE1 GLU A 170 14.205 12.811 6.925 1.00 2.27 O ATOM 2341 OE2 GLU A 170 12.230 13.409 6.194 1.00 2.57 O ATOM 0 H GLU A 170 13.268 13.901 1.829 1.00 0.96 H new ATOM 0 HA GLU A 170 16.037 13.904 2.784 1.00 0.90 H new ATOM 0 HB2 GLU A 170 13.603 12.245 3.560 1.00 0.98 H new ATOM 0 HB3 GLU A 170 15.182 12.125 4.311 1.00 0.98 H new ATOM 0 HG2 GLU A 170 14.993 14.474 5.082 1.00 1.24 H new ATOM 0 HG3 GLU A 170 13.414 14.594 4.333 1.00 1.24 H new ATOM 2348 N LEU A 171 16.675 11.560 2.022 1.00 0.73 N ATOM 2349 CA LEU A 171 17.099 10.290 1.464 1.00 0.67 C ATOM 2350 C LEU A 171 16.223 9.192 2.013 1.00 0.62 C ATOM 2351 O LEU A 171 16.211 8.089 1.501 1.00 0.57 O ATOM 2352 CB LEU A 171 18.552 9.997 1.837 1.00 0.71 C ATOM 2353 CG LEU A 171 19.550 11.055 1.401 1.00 0.77 C ATOM 2354 CD1 LEU A 171 20.957 10.680 1.835 1.00 0.86 C ATOM 2355 CD2 LEU A 171 19.481 11.237 -0.102 1.00 0.74 C ATOM 0 H LEU A 171 17.324 11.952 2.704 1.00 0.73 H new ATOM 0 HA LEU A 171 17.014 10.338 0.378 1.00 0.67 H new ATOM 0 HB2 LEU A 171 18.618 9.880 2.919 1.00 0.71 H new ATOM 0 HB3 LEU A 171 18.840 9.043 1.395 1.00 0.71 H new ATOM 0 HG LEU A 171 19.294 11.999 1.881 1.00 0.77 H new ATOM 0 HD11 LEU A 171 21.655 11.452 1.512 1.00 0.86 H new ATOM 0 HD12 LEU A 171 20.991 10.591 2.921 1.00 0.86 H new ATOM 0 HD13 LEU A 171 21.235 9.728 1.384 1.00 0.86 H new ATOM 0 HD21 LEU A 171 20.199 11.997 -0.410 1.00 0.74 H new ATOM 0 HD22 LEU A 171 19.718 10.294 -0.594 1.00 0.74 H new ATOM 0 HD23 LEU A 171 18.476 11.551 -0.385 1.00 0.74 H new ATOM 2367 N ASN A 172 15.502 9.523 3.075 1.00 0.65 N ATOM 2368 CA ASN A 172 14.626 8.585 3.759 1.00 0.63 C ATOM 2369 C ASN A 172 15.341 7.278 4.034 1.00 0.57 C ATOM 2370 O ASN A 172 15.076 6.265 3.381 1.00 0.53 O ATOM 2371 CB ASN A 172 13.349 8.322 2.954 1.00 0.65 C ATOM 2372 CG ASN A 172 12.421 9.515 2.918 1.00 0.75 C ATOM 2373 OD1 ASN A 172 11.640 9.745 3.839 1.00 0.90 O ATOM 2374 ND2 ASN A 172 12.464 10.252 1.827 1.00 0.80 N ATOM 0 H ASN A 172 15.509 10.456 3.488 1.00 0.65 H new ATOM 0 HA ASN A 172 14.345 9.039 4.709 1.00 0.63 H new ATOM 0 HB2 ASN A 172 13.618 8.047 1.934 1.00 0.65 H new ATOM 0 HB3 ASN A 172 12.822 7.471 3.385 1.00 0.65 H new ATOM 0 HD21 ASN A 172 11.834 11.047 1.724 1.00 0.80 H new ATOM 0 HD22 ASN A 172 13.127 10.027 1.086 1.00 0.80 H new ATOM 2381 N TRP A 173 16.240 7.288 5.002 1.00 0.58 N ATOM 2382 CA TRP A 173 16.951 6.087 5.370 1.00 0.55 C ATOM 2383 C TRP A 173 16.076 5.296 6.330 1.00 0.54 C ATOM 2384 O TRP A 173 16.041 5.572 7.532 1.00 0.61 O ATOM 2385 CB TRP A 173 18.289 6.436 6.025 1.00 0.60 C ATOM 2386 CG TRP A 173 19.401 6.689 5.057 1.00 0.63 C ATOM 2387 CD1 TRP A 173 19.727 7.880 4.478 1.00 0.72 C ATOM 2388 CD2 TRP A 173 20.345 5.732 4.564 1.00 0.64 C ATOM 2389 NE1 TRP A 173 20.817 7.726 3.663 1.00 0.78 N ATOM 2390 CE2 TRP A 173 21.214 6.415 3.693 1.00 0.73 C ATOM 2391 CE3 TRP A 173 20.540 4.364 4.775 1.00 0.65 C ATOM 2392 CZ2 TRP A 173 22.261 5.777 3.035 1.00 0.80 C ATOM 2393 CZ3 TRP A 173 21.579 3.732 4.120 1.00 0.73 C ATOM 2394 CH2 TRP A 173 22.428 4.438 3.261 1.00 0.79 C ATOM 0 H TRP A 173 16.491 8.115 5.544 1.00 0.58 H new ATOM 0 HA TRP A 173 17.164 5.491 4.483 1.00 0.55 H new ATOM 0 HB2 TRP A 173 18.156 7.321 6.647 1.00 0.60 H new ATOM 0 HB3 TRP A 173 18.579 5.621 6.688 1.00 0.60 H new ATOM 0 HD1 TRP A 173 19.202 8.810 4.639 1.00 0.72 H new ATOM 0 HE1 TRP A 173 21.261 8.467 3.121 1.00 0.78 H new ATOM 0 HE3 TRP A 173 19.890 3.812 5.438 1.00 0.65 H new ATOM 0 HZ2 TRP A 173 22.918 6.319 2.370 1.00 0.80 H new ATOM 0 HZ3 TRP A 173 21.739 2.675 4.274 1.00 0.73 H new ATOM 0 HH2 TRP A 173 23.233 3.915 2.766 1.00 0.79 H new ATOM 2405 N LEU A 174 15.339 4.345 5.783 1.00 0.49 N ATOM 2406 CA LEU A 174 14.330 3.625 6.531 1.00 0.49 C ATOM 2407 C LEU A 174 14.937 2.847 7.686 1.00 0.53 C ATOM 2408 O LEU A 174 15.831 2.003 7.491 1.00 0.56 O ATOM 2409 CB LEU A 174 13.552 2.669 5.632 1.00 0.48 C ATOM 2410 CG LEU A 174 12.807 3.298 4.453 1.00 0.50 C ATOM 2411 CD1 LEU A 174 11.789 2.304 3.917 1.00 0.52 C ATOM 2412 CD2 LEU A 174 12.137 4.609 4.853 1.00 0.54 C ATOM 0 H LEU A 174 15.425 4.053 4.810 1.00 0.49 H new ATOM 0 HA LEU A 174 13.647 4.372 6.934 1.00 0.49 H new ATOM 0 HB2 LEU A 174 14.247 1.927 5.240 1.00 0.48 H new ATOM 0 HB3 LEU A 174 12.828 2.134 6.247 1.00 0.48 H new ATOM 0 HG LEU A 174 13.525 3.535 3.668 1.00 0.50 H new ATOM 0 HD11 LEU A 174 11.255 2.747 3.076 1.00 0.52 H new ATOM 0 HD12 LEU A 174 12.302 1.401 3.586 1.00 0.52 H new ATOM 0 HD13 LEU A 174 11.079 2.050 4.704 1.00 0.52 H new ATOM 0 HD21 LEU A 174 11.617 5.029 3.992 1.00 0.54 H new ATOM 0 HD22 LEU A 174 11.422 4.422 5.654 1.00 0.54 H new ATOM 0 HD23 LEU A 174 12.893 5.313 5.199 1.00 0.54 H new ATOM 2424 N ASP A 175 14.398 3.137 8.870 1.00 0.61 N ATOM 2425 CA ASP A 175 14.825 2.542 10.136 1.00 0.72 C ATOM 2426 C ASP A 175 14.353 1.096 10.265 1.00 0.68 C ATOM 2427 O ASP A 175 14.887 0.337 11.070 1.00 0.75 O ATOM 2428 CB ASP A 175 14.254 3.381 11.286 1.00 0.93 C ATOM 2429 CG ASP A 175 14.418 2.739 12.650 1.00 1.83 C ATOM 2430 OD1 ASP A 175 13.525 1.974 13.063 1.00 2.37 O ATOM 2431 OD2 ASP A 175 15.453 2.979 13.302 1.00 2.56 O ATOM 0 H ASP A 175 13.636 3.806 8.978 1.00 0.61 H new ATOM 0 HA ASP A 175 15.914 2.535 10.171 1.00 0.72 H new ATOM 0 HB2 ASP A 175 14.744 4.355 11.291 1.00 0.93 H new ATOM 0 HB3 ASP A 175 13.194 3.558 11.103 1.00 0.93 H new ATOM 2436 N HIS A 176 13.360 0.740 9.443 1.00 0.66 N ATOM 2437 CA HIS A 176 12.701 -0.580 9.470 1.00 0.71 C ATOM 2438 C HIS A 176 11.553 -0.613 10.472 1.00 0.83 C ATOM 2439 O HIS A 176 10.931 -1.654 10.674 1.00 1.10 O ATOM 2440 CB HIS A 176 13.674 -1.739 9.755 1.00 0.71 C ATOM 2441 CG HIS A 176 14.523 -2.126 8.586 1.00 0.69 C ATOM 2442 ND1 HIS A 176 14.157 -3.103 7.694 1.00 0.77 N ATOM 2443 CD2 HIS A 176 15.719 -1.660 8.161 1.00 0.67 C ATOM 2444 CE1 HIS A 176 15.084 -3.218 6.765 1.00 0.76 C ATOM 2445 NE2 HIS A 176 16.052 -2.357 7.022 1.00 0.69 N ATOM 0 H HIS A 176 12.983 1.365 8.730 1.00 0.66 H new ATOM 0 HA HIS A 176 12.305 -0.727 8.465 1.00 0.71 H new ATOM 0 HB2 HIS A 176 14.323 -1.458 10.585 1.00 0.71 H new ATOM 0 HB3 HIS A 176 13.102 -2.608 10.078 1.00 0.71 H new ATOM 0 HD1 HIS A 176 13.300 -3.654 7.743 1.00 0.77 H new ATOM 0 HD2 HIS A 176 16.305 -0.883 8.629 1.00 0.67 H new ATOM 0 HE1 HIS A 176 15.057 -3.903 5.931 1.00 0.76 H new ATOM 2454 N GLY A 177 11.247 0.532 11.061 1.00 0.82 N ATOM 2455 CA GLY A 177 10.176 0.598 12.041 1.00 0.96 C ATOM 2456 C GLY A 177 9.042 1.475 11.564 1.00 1.00 C ATOM 2457 O GLY A 177 7.896 1.333 11.991 1.00 1.34 O ATOM 0 H GLY A 177 11.719 1.418 10.880 1.00 0.82 H new ATOM 0 HA2 GLY A 177 9.802 -0.406 12.240 1.00 0.96 H new ATOM 0 HA3 GLY A 177 10.566 0.986 12.982 1.00 0.96 H new ATOM 2461 N ARG A 178 9.376 2.383 10.666 1.00 0.90 N ATOM 2462 CA ARG A 178 8.412 3.294 10.083 1.00 0.99 C ATOM 2463 C ARG A 178 7.629 2.599 8.971 1.00 0.87 C ATOM 2464 O ARG A 178 8.216 1.905 8.135 1.00 0.86 O ATOM 2465 CB ARG A 178 9.151 4.512 9.520 1.00 1.22 C ATOM 2466 CG ARG A 178 8.252 5.471 8.768 1.00 1.27 C ATOM 2467 CD ARG A 178 7.463 6.363 9.708 1.00 1.18 C ATOM 2468 NE ARG A 178 8.223 7.548 10.104 1.00 1.23 N ATOM 2469 CZ ARG A 178 7.792 8.442 10.992 1.00 1.74 C ATOM 2470 NH1 ARG A 178 6.690 8.205 11.693 1.00 2.16 N ATOM 2471 NH2 ARG A 178 8.479 9.559 11.195 1.00 2.18 N ATOM 0 H ARG A 178 10.327 2.509 10.320 1.00 0.90 H new ATOM 0 HA ARG A 178 7.708 3.614 10.851 1.00 0.99 H new ATOM 0 HB2 ARG A 178 9.633 5.045 10.340 1.00 1.22 H new ATOM 0 HB3 ARG A 178 9.943 4.170 8.853 1.00 1.22 H new ATOM 0 HG2 ARG A 178 8.856 6.089 8.103 1.00 1.27 H new ATOM 0 HG3 ARG A 178 7.563 4.906 8.140 1.00 1.27 H new ATOM 0 HD2 ARG A 178 6.537 6.671 9.223 1.00 1.18 H new ATOM 0 HD3 ARG A 178 7.184 5.797 10.597 1.00 1.18 H new ATOM 0 HE ARG A 178 9.136 7.699 9.675 1.00 1.23 H new ATOM 0 HH11 ARG A 178 6.172 7.337 11.552 1.00 2.16 H new ATOM 0 HH12 ARG A 178 6.361 8.890 12.373 1.00 2.16 H new ATOM 0 HH21 ARG A 178 9.337 9.733 10.671 1.00 2.18 H new ATOM 0 HH22 ARG A 178 8.149 10.244 11.875 1.00 2.18 H new ATOM 2485 N THR A 179 6.312 2.771 8.963 1.00 0.91 N ATOM 2486 CA THR A 179 5.496 2.248 7.880 1.00 0.89 C ATOM 2487 C THR A 179 5.515 3.220 6.707 1.00 0.86 C ATOM 2488 O THR A 179 5.887 4.384 6.854 1.00 0.91 O ATOM 2489 CB THR A 179 4.040 1.953 8.311 1.00 1.05 C ATOM 2490 OG1 THR A 179 3.323 1.318 7.239 1.00 1.20 O ATOM 2491 CG2 THR A 179 3.312 3.223 8.729 1.00 1.11 C ATOM 0 H THR A 179 5.792 3.265 9.689 1.00 0.91 H new ATOM 0 HA THR A 179 5.930 1.294 7.580 1.00 0.89 H new ATOM 0 HB THR A 179 4.081 1.284 9.171 1.00 1.05 H new ATOM 0 HG1 THR A 179 3.857 0.579 6.881 1.00 1.20 H new ATOM 0 HG21 THR A 179 2.292 2.977 9.025 1.00 1.11 H new ATOM 0 HG22 THR A 179 3.833 3.681 9.569 1.00 1.11 H new ATOM 0 HG23 THR A 179 3.288 3.921 7.892 1.00 1.11 H new ATOM 2499 N LEU A 180 5.090 2.741 5.557 1.00 0.84 N ATOM 2500 CA LEU A 180 5.315 3.434 4.302 1.00 0.84 C ATOM 2501 C LEU A 180 4.279 4.532 4.068 1.00 0.93 C ATOM 2502 O LEU A 180 4.590 5.584 3.505 1.00 0.97 O ATOM 2503 CB LEU A 180 5.305 2.398 3.182 1.00 0.85 C ATOM 2504 CG LEU A 180 6.038 1.098 3.545 1.00 0.83 C ATOM 2505 CD1 LEU A 180 5.998 0.107 2.402 1.00 1.08 C ATOM 2506 CD2 LEU A 180 7.474 1.381 3.955 1.00 0.90 C ATOM 0 H LEU A 180 4.580 1.863 5.464 1.00 0.84 H new ATOM 0 HA LEU A 180 6.281 3.938 4.328 1.00 0.84 H new ATOM 0 HB2 LEU A 180 4.272 2.164 2.923 1.00 0.85 H new ATOM 0 HB3 LEU A 180 5.766 2.830 2.294 1.00 0.85 H new ATOM 0 HG LEU A 180 5.519 0.654 4.394 1.00 0.83 H new ATOM 0 HD11 LEU A 180 6.525 -0.802 2.690 1.00 1.08 H new ATOM 0 HD12 LEU A 180 4.962 -0.134 2.165 1.00 1.08 H new ATOM 0 HD13 LEU A 180 6.478 0.543 1.526 1.00 1.08 H new ATOM 0 HD21 LEU A 180 7.972 0.445 4.207 1.00 0.90 H new ATOM 0 HD22 LEU A 180 8.000 1.861 3.130 1.00 0.90 H new ATOM 0 HD23 LEU A 180 7.481 2.041 4.823 1.00 0.90 H new ATOM 2518 N ARG A 181 3.061 4.300 4.537 1.00 1.02 N ATOM 2519 CA ARG A 181 1.992 5.287 4.422 1.00 1.13 C ATOM 2520 C ARG A 181 2.289 6.507 5.298 1.00 1.18 C ATOM 2521 O ARG A 181 1.855 7.620 5.008 1.00 1.36 O ATOM 2522 CB ARG A 181 0.653 4.645 4.808 1.00 1.22 C ATOM 2523 CG ARG A 181 -0.554 5.570 4.712 1.00 1.15 C ATOM 2524 CD ARG A 181 -0.601 6.318 3.389 1.00 0.69 C ATOM 2525 NE ARG A 181 -0.321 5.452 2.246 1.00 1.10 N ATOM 2526 CZ ARG A 181 -0.126 5.900 1.009 1.00 2.02 C ATOM 2527 NH1 ARG A 181 -0.252 7.194 0.739 1.00 2.54 N ATOM 2528 NH2 ARG A 181 0.189 5.048 0.046 1.00 2.64 N ATOM 0 H ARG A 181 2.786 3.435 5.002 1.00 1.02 H new ATOM 0 HA ARG A 181 1.930 5.628 3.389 1.00 1.13 H new ATOM 0 HB2 ARG A 181 0.482 3.781 4.165 1.00 1.22 H new ATOM 0 HB3 ARG A 181 0.727 4.273 5.830 1.00 1.22 H new ATOM 0 HG2 ARG A 181 -1.467 4.986 4.830 1.00 1.15 H new ATOM 0 HG3 ARG A 181 -0.526 6.287 5.532 1.00 1.15 H new ATOM 0 HD2 ARG A 181 -1.585 6.770 3.266 1.00 0.69 H new ATOM 0 HD3 ARG A 181 0.123 7.132 3.410 1.00 0.69 H new ATOM 0 HE ARG A 181 -0.272 4.446 2.406 1.00 1.10 H new ATOM 0 HH11 ARG A 181 -0.499 7.848 1.482 1.00 2.54 H new ATOM 0 HH12 ARG A 181 -0.102 7.534 -0.211 1.00 2.54 H new ATOM 0 HH21 ARG A 181 0.281 4.054 0.255 1.00 2.64 H new ATOM 0 HH22 ARG A 181 0.340 5.386 -0.905 1.00 2.64 H new ATOM 2542 N GLU A 182 3.071 6.289 6.344 1.00 1.11 N ATOM 2543 CA GLU A 182 3.440 7.350 7.274 1.00 1.18 C ATOM 2544 C GLU A 182 4.605 8.164 6.706 1.00 1.16 C ATOM 2545 O GLU A 182 4.972 9.211 7.236 1.00 1.25 O ATOM 2546 CB GLU A 182 3.822 6.717 8.617 1.00 1.25 C ATOM 2547 CG GLU A 182 4.139 7.701 9.730 1.00 1.34 C ATOM 2548 CD GLU A 182 2.922 8.449 10.225 1.00 1.89 C ATOM 2549 OE1 GLU A 182 2.094 7.847 10.935 1.00 2.30 O ATOM 2550 OE2 GLU A 182 2.775 9.642 9.881 1.00 2.31 O ATOM 0 H GLU A 182 3.467 5.377 6.573 1.00 1.11 H new ATOM 0 HA GLU A 182 2.598 8.026 7.422 1.00 1.18 H new ATOM 0 HB2 GLU A 182 3.004 6.075 8.944 1.00 1.25 H new ATOM 0 HB3 GLU A 182 4.689 6.075 8.464 1.00 1.25 H new ATOM 0 HG2 GLU A 182 4.592 7.164 10.563 1.00 1.34 H new ATOM 0 HG3 GLU A 182 4.878 8.418 9.373 1.00 1.34 H new ATOM 2557 N GLN A 183 5.181 7.674 5.620 1.00 1.07 N ATOM 2558 CA GLN A 183 6.234 8.398 4.925 1.00 1.06 C ATOM 2559 C GLN A 183 5.636 9.196 3.781 1.00 1.13 C ATOM 2560 O GLN A 183 6.173 10.224 3.375 1.00 1.22 O ATOM 2561 CB GLN A 183 7.267 7.424 4.375 1.00 1.00 C ATOM 2562 CG GLN A 183 7.713 6.403 5.395 1.00 1.00 C ATOM 2563 CD GLN A 183 8.344 5.178 4.771 1.00 1.04 C ATOM 2564 OE1 GLN A 183 8.045 4.806 3.639 1.00 1.65 O ATOM 2565 NE2 GLN A 183 9.212 4.535 5.516 1.00 0.81 N ATOM 0 H GLN A 183 4.937 6.777 5.200 1.00 1.07 H new ATOM 0 HA GLN A 183 6.720 9.074 5.629 1.00 1.06 H new ATOM 0 HB2 GLN A 183 6.849 6.908 3.511 1.00 1.00 H new ATOM 0 HB3 GLN A 183 8.135 7.982 4.024 1.00 1.00 H new ATOM 0 HG2 GLN A 183 8.428 6.866 6.075 1.00 1.00 H new ATOM 0 HG3 GLN A 183 6.855 6.097 5.994 1.00 1.00 H new ATOM 0 HE21 GLN A 183 9.433 4.877 6.451 1.00 0.81 H new ATOM 0 HE22 GLN A 183 9.666 3.694 5.160 1.00 0.81 H new ATOM 2574 N GLY A 184 4.517 8.707 3.265 1.00 1.16 N ATOM 2575 CA GLY A 184 3.879 9.349 2.139 1.00 1.28 C ATOM 2576 C GLY A 184 4.601 9.060 0.843 1.00 1.23 C ATOM 2577 O GLY A 184 4.423 9.769 -0.144 1.00 1.38 O ATOM 0 H GLY A 184 4.040 7.874 3.609 1.00 1.16 H new ATOM 0 HA2 GLY A 184 2.847 9.008 2.063 1.00 1.28 H new ATOM 0 HA3 GLY A 184 3.847 10.426 2.305 1.00 1.28 H new ATOM 2581 N VAL A 185 5.439 8.026 0.856 1.00 1.10 N ATOM 2582 CA VAL A 185 6.171 7.624 -0.331 1.00 1.08 C ATOM 2583 C VAL A 185 5.228 7.236 -1.470 1.00 1.02 C ATOM 2584 O VAL A 185 4.274 6.478 -1.280 1.00 1.15 O ATOM 2585 CB VAL A 185 7.126 6.455 -0.022 1.00 1.13 C ATOM 2586 CG1 VAL A 185 8.183 6.899 0.973 1.00 1.31 C ATOM 2587 CG2 VAL A 185 6.365 5.253 0.521 1.00 1.14 C ATOM 0 H VAL A 185 5.625 7.454 1.680 1.00 1.10 H new ATOM 0 HA VAL A 185 6.758 8.485 -0.651 1.00 1.08 H new ATOM 0 HB VAL A 185 7.611 6.155 -0.951 1.00 1.13 H new ATOM 0 HG11 VAL A 185 8.854 6.067 1.186 1.00 1.31 H new ATOM 0 HG12 VAL A 185 8.754 7.727 0.552 1.00 1.31 H new ATOM 0 HG13 VAL A 185 7.701 7.222 1.896 1.00 1.31 H new ATOM 0 HG21 VAL A 185 7.065 4.444 0.730 1.00 1.14 H new ATOM 0 HG22 VAL A 185 5.850 5.533 1.440 1.00 1.14 H new ATOM 0 HG23 VAL A 185 5.635 4.920 -0.217 1.00 1.14 H new ATOM 2597 N GLU A 186 5.516 7.753 -2.652 1.00 0.93 N ATOM 2598 CA GLU A 186 4.721 7.484 -3.831 1.00 0.92 C ATOM 2599 C GLU A 186 5.305 6.300 -4.583 1.00 0.83 C ATOM 2600 O GLU A 186 6.357 5.772 -4.213 1.00 0.82 O ATOM 2601 CB GLU A 186 4.698 8.717 -4.735 1.00 1.02 C ATOM 2602 CG GLU A 186 3.991 9.915 -4.121 1.00 1.46 C ATOM 2603 CD GLU A 186 2.482 9.822 -4.223 1.00 2.45 C ATOM 2604 OE1 GLU A 186 1.893 8.876 -3.662 1.00 2.97 O ATOM 2605 OE2 GLU A 186 1.878 10.692 -4.888 1.00 3.02 O ATOM 0 H GLU A 186 6.310 8.372 -2.818 1.00 0.93 H new ATOM 0 HA GLU A 186 3.701 7.247 -3.529 1.00 0.92 H new ATOM 0 HB2 GLU A 186 5.723 8.997 -4.978 1.00 1.02 H new ATOM 0 HB3 GLU A 186 4.207 8.459 -5.673 1.00 1.02 H new ATOM 0 HG2 GLU A 186 4.275 10.000 -3.072 1.00 1.46 H new ATOM 0 HG3 GLU A 186 4.329 10.824 -4.618 1.00 1.46 H new ATOM 2612 N GLU A 187 4.631 5.884 -5.630 1.00 0.89 N ATOM 2613 CA GLU A 187 5.080 4.753 -6.418 1.00 0.91 C ATOM 2614 C GLU A 187 6.215 5.160 -7.351 1.00 0.91 C ATOM 2615 O GLU A 187 7.089 4.357 -7.669 1.00 1.14 O ATOM 2616 CB GLU A 187 3.923 4.186 -7.233 1.00 1.05 C ATOM 2617 CG GLU A 187 2.854 3.477 -6.412 1.00 1.11 C ATOM 2618 CD GLU A 187 1.906 4.425 -5.700 1.00 1.36 C ATOM 2619 OE1 GLU A 187 1.546 5.467 -6.292 1.00 1.86 O ATOM 2620 OE2 GLU A 187 1.512 4.126 -4.553 1.00 1.72 O ATOM 0 H GLU A 187 3.766 6.312 -5.959 1.00 0.89 H new ATOM 0 HA GLU A 187 5.447 3.988 -5.734 1.00 0.91 H new ATOM 0 HB2 GLU A 187 3.455 4.999 -7.789 1.00 1.05 H new ATOM 0 HB3 GLU A 187 4.322 3.486 -7.967 1.00 1.05 H new ATOM 0 HG2 GLU A 187 2.277 2.825 -7.068 1.00 1.11 H new ATOM 0 HG3 GLU A 187 3.339 2.839 -5.673 1.00 1.11 H new ATOM 2627 N HIS A 188 6.204 6.418 -7.769 1.00 0.92 N ATOM 2628 CA HIS A 188 7.184 6.922 -8.735 1.00 0.95 C ATOM 2629 C HIS A 188 8.528 7.244 -8.084 1.00 0.92 C ATOM 2630 O HIS A 188 9.449 7.712 -8.751 1.00 1.01 O ATOM 2631 CB HIS A 188 6.641 8.167 -9.454 1.00 1.04 C ATOM 2632 CG HIS A 188 6.279 9.314 -8.548 1.00 1.03 C ATOM 2633 ND1 HIS A 188 4.983 9.731 -8.356 1.00 1.09 N ATOM 2634 CD2 HIS A 188 7.050 10.151 -7.810 1.00 1.08 C ATOM 2635 CE1 HIS A 188 4.970 10.771 -7.547 1.00 1.14 C ATOM 2636 NE2 HIS A 188 6.212 11.053 -7.199 1.00 1.15 N ATOM 0 H HIS A 188 5.527 7.114 -7.456 1.00 0.92 H new ATOM 0 HA HIS A 188 7.351 6.126 -9.461 1.00 0.95 H new ATOM 0 HB2 HIS A 188 7.388 8.510 -10.170 1.00 1.04 H new ATOM 0 HB3 HIS A 188 5.758 7.882 -10.026 1.00 1.04 H new ATOM 0 HD1 HIS A 188 4.158 9.301 -8.775 1.00 1.09 H new ATOM 0 HD2 HIS A 188 8.126 10.115 -7.719 1.00 1.08 H new ATOM 0 HE1 HIS A 188 4.089 11.305 -7.222 1.00 1.14 H new ATOM 2645 N GLU A 189 8.641 6.984 -6.793 1.00 0.89 N ATOM 2646 CA GLU A 189 9.845 7.326 -6.047 1.00 0.92 C ATOM 2647 C GLU A 189 10.890 6.229 -6.162 1.00 0.78 C ATOM 2648 O GLU A 189 10.579 5.055 -5.969 1.00 0.74 O ATOM 2649 CB GLU A 189 9.496 7.543 -4.579 1.00 1.10 C ATOM 2650 CG GLU A 189 8.436 8.604 -4.355 1.00 1.37 C ATOM 2651 CD GLU A 189 8.934 9.998 -4.654 1.00 1.82 C ATOM 2652 OE1 GLU A 189 9.499 10.218 -5.746 1.00 2.34 O ATOM 2653 OE2 GLU A 189 8.774 10.878 -3.788 1.00 2.38 O ATOM 0 H GLU A 189 7.913 6.536 -6.236 1.00 0.89 H new ATOM 0 HA GLU A 189 10.258 8.242 -6.469 1.00 0.92 H new ATOM 0 HB2 GLU A 189 9.150 6.601 -4.154 1.00 1.10 H new ATOM 0 HB3 GLU A 189 10.399 7.824 -4.038 1.00 1.10 H new ATOM 0 HG2 GLU A 189 7.573 8.388 -4.985 1.00 1.37 H new ATOM 0 HG3 GLU A 189 8.095 8.558 -3.321 1.00 1.37 H new ATOM 2660 N THR A 190 12.117 6.601 -6.510 1.00 0.74 N ATOM 2661 CA THR A 190 13.210 5.641 -6.548 1.00 0.66 C ATOM 2662 C THR A 190 13.741 5.353 -5.146 1.00 0.57 C ATOM 2663 O THR A 190 14.207 6.251 -4.443 1.00 0.61 O ATOM 2664 CB THR A 190 14.365 6.144 -7.434 1.00 0.70 C ATOM 2665 OG1 THR A 190 13.863 6.518 -8.725 1.00 0.81 O ATOM 2666 CG2 THR A 190 15.431 5.068 -7.599 1.00 0.66 C ATOM 0 H THR A 190 12.377 7.553 -6.768 1.00 0.74 H new ATOM 0 HA THR A 190 12.810 4.721 -6.974 1.00 0.66 H new ATOM 0 HB THR A 190 14.814 7.010 -6.948 1.00 0.70 H new ATOM 0 HG1 THR A 190 14.602 6.839 -9.283 1.00 0.81 H new ATOM 0 HG21 THR A 190 16.236 5.447 -8.229 1.00 0.66 H new ATOM 0 HG22 THR A 190 15.831 4.799 -6.621 1.00 0.66 H new ATOM 0 HG23 THR A 190 14.990 4.187 -8.065 1.00 0.66 H new ATOM 2674 N LEU A 191 13.673 4.094 -4.749 1.00 0.48 N ATOM 2675 CA LEU A 191 14.156 3.680 -3.444 1.00 0.42 C ATOM 2676 C LEU A 191 15.387 2.815 -3.648 1.00 0.39 C ATOM 2677 O LEU A 191 15.419 1.982 -4.552 1.00 0.38 O ATOM 2678 CB LEU A 191 13.099 2.885 -2.652 1.00 0.41 C ATOM 2679 CG LEU A 191 11.639 3.372 -2.726 1.00 0.51 C ATOM 2680 CD1 LEU A 191 11.543 4.890 -2.706 1.00 1.01 C ATOM 2681 CD2 LEU A 191 10.943 2.801 -3.947 1.00 0.82 C ATOM 0 H LEU A 191 13.286 3.338 -5.315 1.00 0.48 H new ATOM 0 HA LEU A 191 14.388 4.573 -2.864 1.00 0.42 H new ATOM 0 HB2 LEU A 191 13.127 1.852 -2.998 1.00 0.41 H new ATOM 0 HB3 LEU A 191 13.399 2.879 -1.604 1.00 0.41 H new ATOM 0 HG LEU A 191 11.129 3.006 -1.835 1.00 0.51 H new ATOM 0 HD11 LEU A 191 10.496 5.189 -2.760 1.00 1.01 H new ATOM 0 HD12 LEU A 191 11.982 5.270 -1.784 1.00 1.01 H new ATOM 0 HD13 LEU A 191 12.082 5.300 -3.560 1.00 1.01 H new ATOM 0 HD21 LEU A 191 9.914 3.158 -3.979 1.00 0.82 H new ATOM 0 HD22 LEU A 191 11.467 3.122 -4.848 1.00 0.82 H new ATOM 0 HD23 LEU A 191 10.948 1.712 -3.893 1.00 0.82 H new ATOM 2693 N LEU A 192 16.405 3.005 -2.836 1.00 0.39 N ATOM 2694 CA LEU A 192 17.652 2.289 -3.024 1.00 0.41 C ATOM 2695 C LEU A 192 17.862 1.295 -1.892 1.00 0.40 C ATOM 2696 O LEU A 192 17.683 1.631 -0.719 1.00 0.44 O ATOM 2697 CB LEU A 192 18.815 3.281 -3.055 1.00 0.44 C ATOM 2698 CG LEU A 192 18.463 4.673 -3.588 1.00 0.49 C ATOM 2699 CD1 LEU A 192 19.547 5.669 -3.222 1.00 0.56 C ATOM 2700 CD2 LEU A 192 18.260 4.639 -5.094 1.00 0.50 C ATOM 0 H LEU A 192 16.396 3.646 -2.042 1.00 0.39 H new ATOM 0 HA LEU A 192 17.609 1.748 -3.969 1.00 0.41 H new ATOM 0 HB2 LEU A 192 19.212 3.385 -2.045 1.00 0.44 H new ATOM 0 HB3 LEU A 192 19.613 2.864 -3.670 1.00 0.44 H new ATOM 0 HG LEU A 192 17.528 4.990 -3.125 1.00 0.49 H new ATOM 0 HD11 LEU A 192 19.282 6.653 -3.608 1.00 0.56 H new ATOM 0 HD12 LEU A 192 19.644 5.719 -2.137 1.00 0.56 H new ATOM 0 HD13 LEU A 192 20.495 5.352 -3.657 1.00 0.56 H new ATOM 0 HD21 LEU A 192 18.011 5.639 -5.450 1.00 0.50 H new ATOM 0 HD22 LEU A 192 19.176 4.299 -5.577 1.00 0.50 H new ATOM 0 HD23 LEU A 192 17.447 3.954 -5.336 1.00 0.50 H new ATOM 2712 N LEU A 193 18.206 0.069 -2.239 1.00 0.43 N ATOM 2713 CA LEU A 193 18.576 -0.918 -1.245 1.00 0.50 C ATOM 2714 C LEU A 193 20.058 -0.755 -0.925 1.00 0.47 C ATOM 2715 O LEU A 193 20.891 -0.739 -1.830 1.00 0.49 O ATOM 2716 CB LEU A 193 18.262 -2.327 -1.774 1.00 0.68 C ATOM 2717 CG LEU A 193 18.423 -3.477 -0.773 1.00 0.44 C ATOM 2718 CD1 LEU A 193 17.542 -4.646 -1.171 1.00 1.09 C ATOM 2719 CD2 LEU A 193 19.867 -3.937 -0.706 1.00 1.03 C ATOM 0 H LEU A 193 18.237 -0.266 -3.202 1.00 0.43 H new ATOM 0 HA LEU A 193 18.004 -0.775 -0.328 1.00 0.50 H new ATOM 0 HB2 LEU A 193 17.236 -2.334 -2.142 1.00 0.68 H new ATOM 0 HB3 LEU A 193 18.909 -2.524 -2.629 1.00 0.68 H new ATOM 0 HG LEU A 193 18.123 -3.112 0.209 1.00 0.44 H new ATOM 0 HD11 LEU A 193 17.666 -5.456 -0.452 1.00 1.09 H new ATOM 0 HD12 LEU A 193 16.499 -4.328 -1.184 1.00 1.09 H new ATOM 0 HD13 LEU A 193 17.827 -4.995 -2.163 1.00 1.09 H new ATOM 0 HD21 LEU A 193 19.956 -4.753 0.011 1.00 1.03 H new ATOM 0 HD22 LEU A 193 20.185 -4.282 -1.690 1.00 1.03 H new ATOM 0 HD23 LEU A 193 20.499 -3.107 -0.391 1.00 1.03 H new ATOM 2731 N ARG A 194 20.383 -0.609 0.351 1.00 0.46 N ATOM 2732 CA ARG A 194 21.758 -0.358 0.760 1.00 0.46 C ATOM 2733 C ARG A 194 22.220 -1.378 1.782 1.00 0.44 C ATOM 2734 O ARG A 194 21.431 -1.867 2.589 1.00 0.49 O ATOM 2735 CB ARG A 194 21.910 1.047 1.345 1.00 0.53 C ATOM 2736 CG ARG A 194 21.859 2.161 0.315 1.00 0.60 C ATOM 2737 CD ARG A 194 22.949 2.015 -0.734 1.00 0.65 C ATOM 2738 NE ARG A 194 24.281 1.865 -0.140 1.00 0.69 N ATOM 2739 CZ ARG A 194 25.296 1.225 -0.729 1.00 0.95 C ATOM 2740 NH1 ARG A 194 25.128 0.645 -1.914 1.00 1.25 N ATOM 2741 NH2 ARG A 194 26.479 1.165 -0.128 1.00 1.06 N ATOM 0 H ARG A 194 19.715 -0.660 1.120 1.00 0.46 H new ATOM 0 HA ARG A 194 22.379 -0.442 -0.132 1.00 0.46 H new ATOM 0 HB2 ARG A 194 21.120 1.210 2.079 1.00 0.53 H new ATOM 0 HB3 ARG A 194 22.858 1.105 1.879 1.00 0.53 H new ATOM 0 HG2 ARG A 194 20.884 2.160 -0.172 1.00 0.60 H new ATOM 0 HG3 ARG A 194 21.964 3.123 0.816 1.00 0.60 H new ATOM 0 HD2 ARG A 194 22.734 1.149 -1.359 1.00 0.65 H new ATOM 0 HD3 ARG A 194 22.941 2.889 -1.386 1.00 0.65 H new ATOM 0 HE ARG A 194 24.443 2.275 0.780 1.00 0.69 H new ATOM 0 HH11 ARG A 194 24.221 0.687 -2.378 1.00 1.25 H new ATOM 0 HH12 ARG A 194 25.906 0.158 -2.358 1.00 1.25 H new ATOM 0 HH21 ARG A 194 26.612 1.607 0.782 1.00 1.06 H new ATOM 0 HH22 ARG A 194 27.255 0.677 -0.576 1.00 1.06 H new ATOM 2755 N ARG A 195 23.502 -1.691 1.737 1.00 0.45 N ATOM 2756 CA ARG A 195 24.096 -2.619 2.681 1.00 0.50 C ATOM 2757 C ARG A 195 24.519 -1.873 3.939 1.00 0.55 C ATOM 2758 O ARG A 195 25.356 -0.973 3.880 1.00 0.64 O ATOM 2759 CB ARG A 195 25.299 -3.315 2.047 1.00 0.59 C ATOM 2760 CG ARG A 195 25.810 -4.489 2.857 1.00 1.02 C ATOM 2761 CD ARG A 195 27.012 -5.143 2.202 1.00 1.07 C ATOM 2762 NE ARG A 195 27.353 -6.401 2.855 1.00 1.49 N ATOM 2763 CZ ARG A 195 28.458 -7.100 2.614 1.00 2.13 C ATOM 2764 NH1 ARG A 195 29.347 -6.670 1.730 1.00 2.34 N ATOM 2765 NH2 ARG A 195 28.656 -8.245 3.253 1.00 2.68 N ATOM 0 H ARG A 195 24.156 -1.313 1.051 1.00 0.45 H new ATOM 0 HA ARG A 195 23.359 -3.376 2.950 1.00 0.50 H new ATOM 0 HB2 ARG A 195 25.025 -3.662 1.051 1.00 0.59 H new ATOM 0 HB3 ARG A 195 26.104 -2.591 1.922 1.00 0.59 H new ATOM 0 HG2 ARG A 195 26.080 -4.151 3.857 1.00 1.02 H new ATOM 0 HG3 ARG A 195 25.014 -5.225 2.973 1.00 1.02 H new ATOM 0 HD2 ARG A 195 26.801 -5.324 1.148 1.00 1.07 H new ATOM 0 HD3 ARG A 195 27.865 -4.466 2.245 1.00 1.07 H new ATOM 0 HE ARG A 195 26.699 -6.771 3.545 1.00 1.49 H new ATOM 0 HH11 ARG A 195 29.186 -5.797 1.228 1.00 2.34 H new ATOM 0 HH12 ARG A 195 30.192 -7.213 1.551 1.00 2.34 H new ATOM 0 HH21 ARG A 195 27.964 -8.582 3.922 1.00 2.68 H new ATOM 0 HH22 ARG A 195 29.500 -8.789 3.075 1.00 2.68 H new ATOM 2779 N LYS A 196 23.932 -2.237 5.067 1.00 0.60 N ATOM 2780 CA LYS A 196 24.222 -1.564 6.323 1.00 0.69 C ATOM 2781 C LYS A 196 25.427 -2.196 7.005 1.00 0.76 C ATOM 2782 O LYS A 196 26.344 -1.498 7.438 1.00 0.88 O ATOM 2783 CB LYS A 196 23.007 -1.607 7.254 1.00 0.75 C ATOM 2784 CG LYS A 196 23.282 -1.047 8.644 1.00 0.88 C ATOM 2785 CD LYS A 196 22.025 -1.003 9.502 1.00 1.28 C ATOM 2786 CE LYS A 196 21.369 -2.371 9.617 1.00 1.65 C ATOM 2787 NZ LYS A 196 20.191 -2.345 10.521 1.00 2.15 N ATOM 0 H LYS A 196 23.252 -2.994 5.139 1.00 0.60 H new ATOM 0 HA LYS A 196 24.453 -0.522 6.102 1.00 0.69 H new ATOM 0 HB2 LYS A 196 22.192 -1.044 6.800 1.00 0.75 H new ATOM 0 HB3 LYS A 196 22.668 -2.639 7.348 1.00 0.75 H new ATOM 0 HG2 LYS A 196 24.037 -1.659 9.138 1.00 0.88 H new ATOM 0 HG3 LYS A 196 23.695 -0.042 8.555 1.00 0.88 H new ATOM 0 HD2 LYS A 196 22.277 -0.636 10.497 1.00 1.28 H new ATOM 0 HD3 LYS A 196 21.316 -0.295 9.072 1.00 1.28 H new ATOM 0 HE2 LYS A 196 21.061 -2.710 8.628 1.00 1.65 H new ATOM 0 HE3 LYS A 196 22.096 -3.093 9.989 1.00 1.65 H new ATOM 0 HZ1 LYS A 196 19.772 -3.296 10.573 1.00 2.15 H new ATOM 0 HZ2 LYS A 196 20.489 -2.046 11.471 1.00 2.15 H new ATOM 0 HZ3 LYS A 196 19.486 -1.675 10.153 1.00 2.15 H new ATOM 2801 N PHE A 197 25.429 -3.519 7.096 1.00 0.77 N ATOM 2802 CA PHE A 197 26.522 -4.217 7.747 1.00 0.89 C ATOM 2803 C PHE A 197 27.594 -4.592 6.744 1.00 0.96 C ATOM 2804 O PHE A 197 27.299 -5.004 5.625 1.00 0.92 O ATOM 2805 CB PHE A 197 26.051 -5.484 8.457 1.00 0.95 C ATOM 2806 CG PHE A 197 24.999 -5.262 9.507 1.00 0.94 C ATOM 2807 CD1 PHE A 197 25.153 -4.256 10.446 1.00 1.14 C ATOM 2808 CD2 PHE A 197 23.855 -6.042 9.549 1.00 0.92 C ATOM 2809 CE1 PHE A 197 24.192 -4.034 11.411 1.00 1.19 C ATOM 2810 CE2 PHE A 197 22.888 -5.825 10.513 1.00 0.95 C ATOM 2811 CZ PHE A 197 23.051 -4.881 11.452 1.00 1.03 C ATOM 0 H PHE A 197 24.693 -4.123 6.730 1.00 0.77 H new ATOM 0 HA PHE A 197 26.929 -3.531 8.490 1.00 0.89 H new ATOM 0 HB2 PHE A 197 25.661 -6.178 7.712 1.00 0.95 H new ATOM 0 HB3 PHE A 197 26.912 -5.965 8.921 1.00 0.95 H new ATOM 0 HD1 PHE A 197 26.037 -3.637 10.423 1.00 1.14 H new ATOM 0 HD2 PHE A 197 23.717 -6.828 8.821 1.00 0.92 H new ATOM 0 HE1 PHE A 197 24.305 -3.230 12.123 1.00 1.19 H new ATOM 0 HE2 PHE A 197 21.989 -6.424 10.510 1.00 0.95 H new ATOM 0 HZ PHE A 197 22.318 -4.765 12.237 1.00 1.03 H new